| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.3 | Very low | 41.7 | Very low | 249 Ų | 249 | 153.5 Ų | 153.5 | 100% | 1.227 | 79% | 0.793 | S | S | * | * | 0 | 111.4 | 0 | -78.2 | 167 | 164.1 | 0 | 0 | 107.4 | |||||
| 2 | T | 42.7 | Very low | 41 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -101.2 | 161.6 | -172.4 | 36 | 0 | 0 | 0 | 0 | 111.9 | R4 | T2-R4 PolarHBondContact O-N 2.7Š| ||
| 3 | E | 38.8 | Very low | 40.6 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | -17.9 | -167.9 | -78.7 | 165.4 | 90.9 | 0 | 0 | 117.6 | S5 F6 | E3-S5 PolarHBondContact O-N 3.05Å; E3-S5 VanDerWaalsContact O-N 3.09Å; E3-F6 PolarHBondContact O-N 3.28Å |
| 4 | R | 45.6 | Very low | 40.2 | Very low | 227 Ų | 227 | 145.7 Ų | 145.7 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | H | α-helix | trans | -63.6 | -17.4 | -176.6 | -65.3 | -173.7 | -176.1 | 171.9 | 2.1 | 114.4 | T2 F6 | T2-R4 PolarHBondContact O-N 2.7Å; R4-F6 VanDerWaalsContact C-N 3.3Å; R4-F6 PolarHBondContact O-N 3.45Å |
| 5 | S | 44.7 | Very low | 39.7 | Very low | 92 Ų | 92 | 144.8 Ų | 144.8 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | H | α-helix | trans | -75 | -14.1 | 178.4 | -162.2 | 0 | 0 | 0 | 0 | 114.5 | E3 | E3-S5 PolarHBondContact O-N 3.05Å; E3-S5 VanDerWaalsContact O-N 3.09Å |
| 6 | F | 41.7 | Very low | 39.5 | Very low | 169 Ų | 169 | 147 Ų | 147 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | H | α-helix | trans | -90.7 | -28.1 | -178.3 | -103.2 | -91 | 0 | 0 | 0 | 114.2 | E3 R4 | E3-F6 PolarHBondContact O-N 3.28Å; R4-F6 VanDerWaalsContact C-N 3.3Å; R4-F6 PolarHBondContact O-N 3.45Å |
| 7 | Q | 41.3 | Very low | 39.2 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | H | α-helix | trans | -71.7 | -29.7 | 176.7 | -73 | -166.9 | 8.1 | 0 | 0 | 113 | L9 I10 | Q7-L9 PolarHBondContact O-N 3.48Å; Q7-L9 VanDerWaalsContact O-N 3.15Å; Q7-I10 PolarHBondContact O-N 2.77Å |
| 8 | S | 38.4 | Very low | 38.8 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -9.3 | -177.7 | -166.1 | 0 | 0 | 0 | 0 | 115 | ||
| 9 | L | 38 | Very low | 38.6 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -6.8 | 175.6 | -85.5 | 164.1 | 0 | 0 | 0 | 113.6 | Q7 | Q7-L9 PolarHBondContact O-N 3.48Å; Q7-L9 VanDerWaalsContact O-N 3.15Å |
| 10 | I | 44.5 | Very low | 38.6 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | -20.5 | -176.5 | -61.5 | -179.9 | 0 | 0 | 0 | 111.6 | Q7 G12 | Q7-I10 PolarHBondContact O-N 2.77Å; I10-G12 VanDerWaalsContact C-N 3.34Å; I10-G12 PolarHBondContact O-N 3.46Å |
| 11 | S | 38.5 | Very low | 38.5 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -89.6 | 20.6 | -176.9 | -49.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 12 | G | 33 | Very low | 37.9 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | trans | -97.3 | -1.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | I10 | I10-G12 VanDerWaalsContact C-N 3.34Å; I10-G12 PolarHBondContact O-N 3.46Å | ||
| 13 | I | 36.4 | Very low | 37.5 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | trans | -110.5 | 93.6 | -175.8 | 47.5 | 167.5 | 0 | 0 | 0 | 111.4 | L15 | I13-L15 PolarHBondContact O-N 3.46Š| ||
| 14 | S | 34.4 | Very low | 37.4 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -87.3 | 109.5 | 176.9 | -173.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 15 | L | 32.8 | Very low | 36.7 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | trans | 1.6 | 119.1 | 149.4 | -73.8 | 141.4 | 0 | 0 | 0 | 118.1 | I13 E18 | I13-L15 PolarHBondContact O-N 3.46Å; L15-E18 HydrophobicContact CD2-CG 4.45Å | ||
| 16 | H | 37.5 | Very low | 36 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 83% | 0.833 | 76% | 0.757 | S | S | * | * | -162.1 | 97.5 | 127 | -132.7 | -85.8 | 0 | 0 | 0 | 111.1 | |||||
| 17 | D | 34.6 | Very low | 35.5 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | 166.1 | 94.8 | 126.3 | -118.7 | -83.5 | 0 | 0 | 0 | 109.4 | |||||
| 18 | E | 31 | Very low | 35 | Very low | 150 Ų | 150 | 131.8 Ų | 131.8 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -109.5 | 67.7 | -168 | -130.3 | -85.6 | 109.3 | 0 | 0 | 108.9 | L15 | L15-E18 HydrophobicContact CD2-CG 4.45Š| ||
| 19 | A | 35.7 | Very low | 34.6 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | trans | -151.7 | 33.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 20 | A | 37.4 | Very low | 34.4 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -147.7 | -16.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 21 | L | 36.4 | Very low | 33.9 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -110.9 | 23.3 | -169.7 | -66.3 | 178.2 | 0 | 0 | 0 | 115 | ||
| 22 | N | 33.1 | Very low | 33.5 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | -110.1 | 66.3 | 169.2 | -81.4 | -42.5 | 0 | 0 | 0 | 111.2 | ||||
| 23 | N | 33.4 | Very low | 33.6 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -152.8 | 132.8 | 157.4 | -117.2 | -44.8 | 0 | 0 | 0 | 111.6 | ||
| 24 | I | 38 | Very low | 33.3 | Very low | 151 Ų | 151 | 126.8 Ų | 126.8 | 77% | 0.774 | 72% | 0.716 | S | S | * | * | trans | 62.4 | 76 | 165.8 | -44.7 | 158.7 | 0 | 0 | 0 | 112.8 | ||||
| 25 | S | 30.4 | Very low | 33.4 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 66% | 0.664 | 72% | 0.717 | S | S | * | * | 50.3 | 111.3 | 57.6 | -161.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 26 | L | 29 | Very low | 33.4 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 86% | 0.859 | 71% | 0.712 | S | S | * | * | trans | 47.9 | 118.1 | 154.9 | -61 | 168 | 0 | 0 | 0 | 118.1 | ||||
| 27 | K | 32.3 | Very low | 33.3 | Very low | 188 Ų | 188 | 128.3 Ų | 128.3 | 82% | 0.817 | 71% | 0.712 | S | S | * | * | -178.4 | 117.6 | 90.3 | -164.3 | 144.6 | -177.5 | 169.3 | 0 | 112.5 | |||||
| 28 | A | 30.5 | Very low | 33.3 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 84% | 0.843 | 72% | 0.72 | S | S | * | * | trans | -85.6 | 124.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 29 | A | 30.8 | Very low | 33.5 | Very low | 69 Ų | 69 | 125.6 Ų | 125.6 | 57% | 0.57 | 72% | 0.716 | S | S | * | * | trans | 165.2 | 136.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 30 | L | 32.9 | Very low | 33.5 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | 69.2 | 141.6 | 161.6 | -57.2 | 146.5 | 0 | 0 | 0 | 115 | ||||
| 31 | D | 33.1 | Very low | 33.3 | Very low | 75 Ų | 75 | 130 Ų | 130 | 40% | 0.401 | 72% | 0.716 | S | S | . | * | cis | -152.1 | 155.9 | 16.7 | -163.8 | -129.7 | 0 | 0 | 0 | 114.4 | Q33 I549 | D31-Q33 PolarHBondContact O-N 3.5Å; D31-Q33 WeakPolarHBondContact OD1-CG 3.39Å; D31-Q33 PolarHBondContact OD1-NE2 3.34Å; D31-I549 HydrophobicContact CB-CD1 3.47Å; D31-I549 VanDerWaalsContact CB-CD1 3.47Å; D31-I549 HydrophobicContact CB-CG1 3.86Å; D31-I549 WeakPolarHBondContact OD1-CG1 3.47Å | ||
| 32 | N | 30.1 | Very low | 33.4 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | trans | -80.3 | 84.7 | 175.1 | -89.3 | -29.4 | 0 | 0 | 0 | 111.6 | N34 S547 | N32-N34 PolarHBondContact O-N 3.4Å; N32-S547 VanDerWaalsContact O-CB 3.29Å; N32-S547 WeakPolarHBondContact O-CB 3.09Å; N32-S547 PolarHBondContact O-OG 3.09Å | ||
| 33 | Q | 35.2 | Very low | 33.7 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 42% | 0.421 | 71% | 0.711 | S | S | . | * | trans | -69.4 | 56.5 | 170.5 | -1 | 179.2 | 19.8 | 0 | 0 | 120.9 | D31 A548 | D31-Q33 PolarHBondContact O-N 3.5Å; D31-Q33 WeakPolarHBondContact OD1-CG 3.39Å; D31-Q33 PolarHBondContact OD1-NE2 3.34Å; Q33-A548 VanDerWaalsContact NE2-N 3.14Å | ||
| 34 | N | 31.6 | Very low | 34 | Very low | 88 Ų | 88 | 130.8 Ų | 130.8 | 47% | 0.471 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -71.8 | 123.3 | 170.1 | -149 | 37.1 | 0 | 0 | 0 | 110.4 | N32 H546 S547 | N32-N34 PolarHBondContact O-N 3.4Å; N34-H546 WeakPolarHBondContact CB-ND1 3.33Å; N34-H546 PolarHBondContact ND2-CE1 3.18Å; N34-H546 PolarHBondContact ND2-ND1 3.24Å; N34-H546 PolarHBondContact ND2-NE2 3.09Å; N34-H546 PolarHBondContact O-ND1 3.42Å; N34-S547 WeakPolarHBondContact CA-OG 3.49Å; N34-S547 WeakPolarHBondContact CB-OG 3.32Å; N34-S547 PolarHBondContact N-OG 3.08Å; N34-S547 WeakPolarHBondContact O-CB 3.07Å; N34-S547 PolarHBondContact O-OG 3.2Å |
| 35 | F | 35 | Very low | 33.8 | Very low | 195 Ų | 195 | 126.5 Ų | 126.5 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 124.7 | 172.2 | -102 | -93.2 | 0 | 0 | 0 | 110.6 | H546 | F35-H546 PolarHBondContact O-CE1 3.33Š|
| 36 | D | 34.2 | Very low | 34.2 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 58% | 0.578 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 159.1 | 171.5 | -140.2 | -24.2 | 0 | 0 | 0 | 110.9 | H546 | D36-H546 VanDerWaalsContact CA-CE1 3.47Å; D36-H546 WeakPolarHBondContact CA-CE1 3.43Å; D36-H546 WeakPolarHBondContact CB-CE1 3.29Å; D36-H546 WeakPolarHBondContact CB-NE2 3.18Å; D36-H546 VanDerWaalsContact CG-NE2 3.3Å; D36-H546 PolarHBondContact N-CE1 2.87Å; D36-H546 PolarHBondContact N-ND1 3.39Å; D36-H546 VanDerWaalsContact N-ND1 3.18Å; D36-H546 IonicContact OD2-CD2 3.79Å; D36-H546 PolarHBondContact OD2-CD2 3.2Å; D36-H546 IonicContact OD2-CE1 2.69Å; D36-H546 IonicContact OD2-NE2 2.95Å; D36-H546 PolarHBondContact OD2-NE2 3.5Å; D36-H546 VanDerWaalsContact OD2-NE2 3.09Å |
| 37 | L | 34.7 | Very low | 34.5 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -97 | 150.3 | 171.5 | -69.5 | 161.4 | 0 | 0 | 0 | 109.8 | ||
| 38 | N | 34.7 | Very low | 34.9 | Very low | 169 Ų | 169 | 124.9 Ų | 124.9 | 90% | 0.904 | 71% | 0.713 | S | S | * | * | trans | 140.8 | 138.6 | 131.5 | -165.7 | 24.4 | 0 | 0 | 0 | 114.7 | ||||
| 39 | G | 34.3 | Very low | 35.6 | Very low | 59 Ų | 59 | 126 Ų | 126 | 61% | 0.608 | 71% | 0.712 | S | S | * | * | trans | 82.5 | 143.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 40 | Q | 35.9 | Very low | 35.9 | Very low | 185 Ų | 185 | 125.6 Ų | 125.6 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | cis | -163.8 | 136.8 | -8.1 | -146.9 | 172.3 | -36.6 | 0 | 0 | 111.6 | ||||
| 41 | S | 33.9 | Very low | 36.3 | Very low | 88 Ų | 88 | 129 Ų | 129 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | trans | 26.7 | 118.1 | 153 | 60.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 42 | H | 39.2 | Very low | 36.4 | Very low | 171 Ų | 171 | 128.9 Ų | 128.9 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | -172.5 | 110.4 | 112.7 | -118.6 | -89.2 | 0 | 0 | 0 | 108.1 | |||||
| 43 | D | 37.9 | Very low | 36.8 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | 83.3 | 150.4 | 72.3 | -121.3 | -42.6 | 0 | 0 | 0 | 115.2 | |||||
| 44 | D | 40.5 | Very low | 36.5 | Very low | 156 Ų | 156 | 131 Ų | 131 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | 66.2 | 130.9 | -171.6 | -59.7 | -55.2 | 0 | 0 | 0 | 117 | ||||
| 45 | G | 34.6 | Very low | 36.7 | Very low | 61 Ų | 61 | 135.1 Ų | 135.1 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | cis | 157.5 | 153.9 | -3.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 46 | L | 38.1 | Very low | 36.4 | Very low | 180 Ų | 180 | 131.2 Ų | 131.2 | 94% | 0.942 | 77% | 0.771 | S | S | * | * | trans | 75.1 | 146.6 | 173.9 | -52.2 | 144.1 | 0 | 0 | 0 | 117.7 | ||||
| 47 | S | 36 | Very low | 36.5 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | cis | -163.5 | 140 | -31.1 | -170.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 48 | V | 39.3 | Very low | 36.3 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | trans | -75.3 | 172.9 | 164.5 | -152.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 49 | P | 45 | Very low | 36.2 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | cis | -158.7 | 170.9 | 27.4 | 45.5 | -22.2 | 0 | 0 | 0 | 122.9 | ||||
| 50 | G | 38.2 | Very low | 35.9 | Very low | 62 Ų | 62 | 138.9 Ų | 138.9 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | 114.6 | 154.7 | 109.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 51 | K | 40.4 | Very low | 35.5 | Very low | 223 Ų | 223 | 137.7 Ų | 137.7 | 97% | 0.97 | 79% | 0.785 | S | S | * | * | trans | 74.8 | 142.8 | 168.2 | -50.3 | 165.7 | -174.7 | 173.4 | 0 | 114.8 | ||||
| 52 | G | 36.6 | Very low | 35.4 | Very low | 71 Ų | 71 | 141.1 Ų | 141.1 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | cis | 166 | 168.7 | -0.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 53 | V | 37.9 | Very low | 34.8 | Very low | 146 Ų | 146 | 139 Ų | 139 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | cis | -150.8 | 166.1 | 1.6 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 54 | N | 29.1 | Very low | 34.7 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -58.7 | 158.9 | 174.2 | -93.1 | -72.8 | 0 | 0 | 0 | 116 | ||||
| 55 | I | 35.9 | Very low | 34.1 | Very low | 174 Ų | 174 | 134 Ų | 134 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | -162.9 | 151.7 | 114.7 | -96 | 154 | 0 | 0 | 0 | 111.6 | |||||
| 56 | V | 28.9 | Very low | 33.9 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | trans | -97.7 | 144.6 | -161.1 | 164.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 57 | S | 35.2 | Very low | 33.6 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -162.9 | 126.6 | 136.2 | -82.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 58 | K | 30.3 | Very low | 33.3 | Very low | 196 Ų | 196 | 136 Ų | 136 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -89.8 | 166.5 | 171.8 | -99.2 | 174.6 | 179.9 | 173.1 | 0 | 109 | ||||
| 59 | P | 33.8 | Very low | 32.9 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | cis | -154.1 | 157.8 | 42.2 | 41.8 | -19.9 | 0 | 0 | 0 | 120.9 | ||||
| 60 | R | 26.8 | Very low | 32.3 | Very low | 220 Ų | 220 | 135.9 Ų | 135.9 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | trans | 50.3 | 105.3 | 133 | -168 | -171.1 | -161.1 | 176.4 | 5.5 | 119.6 | ||||
| 61 | M | 28.9 | Very low | 32 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 79% | 0.788 | 82% | 0.823 | S | S | * | * | trans | -149.1 | 136.3 | 139.1 | -93.4 | -56 | 116.4 | 0 | 0 | 112.6 | ||||
| 62 | L | 30.4 | Very low | 31.7 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | 22.5 | 125 | 152.5 | -59.8 | 164.7 | 0 | 0 | 0 | 120.9 | ||||
| 63 | S | 28 | Very low | 31.4 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -123.2 | 121.2 | 159.5 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 64 | S | 33.9 | Very low | 31.2 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -146.8 | 112.3 | 167.5 | 53.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 65 | G | 28 | Very low | 31.5 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -73.4 | 151.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 66 | I | 31.9 | Very low | 31.6 | Very low | 162 Ų | 162 | 124.8 Ų | 124.8 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | -117.4 | 129.9 | 171.4 | -60.9 | 175.2 | 0 | 0 | 0 | 107.5 | ||||
| 67 | P | 30.7 | Very low | 31.9 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -77.7 | 141.4 | 174.2 | 32.2 | -33.3 | 0 | 0 | 0 | 111 | ||||
| 68 | A | 29.1 | Very low | 32.1 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | trans | -73.3 | 126.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 69 | S | 31.8 | Very low | 32.4 | Very low | 115 Ų | 115 | 118 Ų | 118 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -107.8 | 124.3 | 169.8 | 65.7 | 0 | 0 | 0 | 0 | 111.1 | G71 | S69-G71 PolarHBondContact O-N 2.79Š| ||
| 70 | S | 32 | Very low | 32.7 | Very low | 131 Ų | 131 | 115.3 Ų | 115.3 | 92% | 0.916 | 73% | 0.73 | S | S | * | * | trans | -76 | 101.8 | 176.1 | 34.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 71 | G | 31.9 | Very low | 33.1 | Very low | 75 Ų | 75 | 108.5 Ų | 108.5 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | trans | -80.2 | 126.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S69 G73 | S69-G71 PolarHBondContact O-N 2.79Å; G71-G73 PolarHBondContact O-N 3.11Å | ||
| 72 | C | 33.5 | Very low | 33.4 | Very low | 111 Ų | 111 | 103.7 Ų | 103.7 | 75% | 0.75 | 69% | 0.691 | S | S | * | * | trans | -82.2 | 105.5 | 172.6 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 73 | G | 31.1 | Very low | 33.6 | Very low | 62 Ų | 62 | 99.6 Ų | 99.6 | 64% | 0.639 | 69% | 0.687 | S | S | * | * | trans | -93 | 134.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G71 | G71-G73 PolarHBondContact O-N 3.11Š| ||
| 74 | T | 34.7 | Very low | 34 | Very low | 89 Ų | 89 | 95.4 Ų | 95.4 | 55% | 0.546 | 66% | 0.66 | S | S | . | * | trans | -101.9 | 124.2 | 167.6 | -55.4 | 0 | 0 | 0 | 0 | 109.2 | T132 | T74-T132 HydrophobicContact CG2-CG2 3.89Š| ||
| 75 | L | 35.4 | Very low | 33.9 | Very low | 137 Ų | 137 | 95.7 Ų | 95.7 | 72% | 0.717 | 65% | 0.653 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.4 | 111.6 | 172.2 | -74.3 | 169.1 | 0 | 0 | 0 | 109.9 | ||
| 76 | N | 36.9 | Very low | 34 | Very low | 105 Ų | 105 | 95 Ų | 95 | 56% | 0.561 | 64% | 0.639 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.6 | 116.1 | 166.4 | -82.4 | -25.2 | 0 | 0 | 0 | 108.8 | K130 | N76-K130 PolarHBondContact ND2-NZ 3.03Å; N76-K130 WeakPolarHBondContact OD1-CE 3.13Å; N76-K130 PolarHBondContact OD1-NZ 2.95Å |
| 77 | M | 35.8 | Very low | 33.9 | Very low | 125 Ų | 125 | 93.8 Ų | 93.8 | 62% | 0.616 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 157.5 | 167.3 | -70.3 | -74.6 | -108.8 | 0 | 0 | 110.8 | ||
| 78 | A | 39.3 | Very low | 33.9 | Very low | 76 Ų | 76 | 92 Ų | 92 | 63% | 0.628 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 152 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V80 | A78-V80 PolarHBondContact O-N 3.26Š|
| 79 | P | 36.6 | Very low | 33.9 | Very low | 89 Ų | 89 | 96 Ų | 96 | 58% | 0.578 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 127.7 | 178.1 | 26.2 | -33.9 | 0 | 0 | 0 | 111.3 | T128 | P79-T128 HydrophobicContact CB-CG2 4.25Š|
| 80 | V | 39 | Very low | 33.8 | Very low | 60 Ų | 60 | 94.8 Ų | 94.8 | 36% | 0.364 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 133.3 | -180 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | A78 A84 T128 | A78-V80 PolarHBondContact O-N 3.26Å; V80-A84 HydrophobicContact CG1-CB 4.27Å; V80-T128 WeakPolarHBondContact O-CA 3.46Å |
| 81 | P | 35.4 | Very low | 33.5 | Very low | 77 Ų | 77 | 92.4 Ų | 92.4 | 50% | 0.5 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72 | 137 | 176.7 | 28.7 | -34.2 | 0 | 0 | 0 | 111.6 | G83 A84 Q127 | P81-G83 PolarHBondContact O-N 3.38Å; P81-G83 VanDerWaalsContact O-N 3.1Å; P81-A84 WeakPolarHBondContact O-CB 3.44Å; P81-A84 PolarHBondContact O-N 3.43Å; P81-Q127 WeakPolarHBondContact CA-O 3.37Å |
| 82 | I | 35.7 | Very low | 33.3 | Very low | 60 Ų | 60 | 95.7 Ų | 95.7 | 31% | 0.308 | 62% | 0.62 | S | S | . | * | G | 310 helix | trans | -65.3 | -15.6 | -178.7 | -76 | 162.2 | 0 | 0 | 0 | 113.1 | A84 L85 V126 Q127 V129 | I82-A84 PolarHBondContact O-N 3.09Å; I82-L85 HydrophobicContact CG1-CD1 4.18Å; I82-L85 WeakPolarHBondContact O-CB 3.45Å; I82-L85 PolarHBondContact O-N 3.18Å; I82-V126 HydrophobicContact CD1-CB 3.83Å; I82-V126 HydrophobicContact CD1-CG1 3.48Å; I82-V126 VanDerWaalsContact CD1-CG1 3.48Å; I82-V126 WeakPolarHBondContact CD1-O 3.26Å; I82-Q127 PolarHBondContact N-O 2.92Å; I82-V129 HydrophobicContact CD1-CG1 4.38Å; I82-V129 HydrophobicContact CG1-CG2 4.31Å |
| 83 | G | 35.6 | Very low | 32.9 | Very low | 74 Ų | 74 | 95.4 Ų | 95.4 | 76% | 0.763 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -61.8 | -19.2 | 167 | 0 | 0 | 0 | 0 | 0 | 114.3 | P81 L85 | P81-G83 PolarHBondContact O-N 3.38Å; P81-G83 VanDerWaalsContact O-N 3.1Å; G83-L85 VanDerWaalsContact C-N 3.27Å |
| 84 | A | 35.6 | Very low | 32.7 | Very low | 39 Ų | 39 | 99.8 Ų | 99.8 | 32% | 0.322 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -89.3 | 18.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113 | V80 P81 I82 I90 | V80-A84 HydrophobicContact CG1-CB 4.27Å; P81-A84 WeakPolarHBondContact O-CB 3.44Å; P81-A84 PolarHBondContact O-N 3.43Å; I82-A84 PolarHBondContact O-N 3.09Å; A84-I90 HydrophobicContact CB-CD1 4.11Å; A84-I90 WeakPolarHBondContact O-CD1 3.21Å |
| 85 | L | 31.2 | Very low | 32.4 | Very low | 117 Ų | 117 | 99.9 Ų | 99.9 | 61% | 0.613 | 63% | 0.629 | S | S | * | * | trans | -125 | 44.4 | 175 | -63.5 | 171.4 | 0 | 0 | 0 | 110.5 | I82 G83 V129 | I82-L85 HydrophobicContact CG1-CD1 4.18Å; I82-L85 WeakPolarHBondContact O-CB 3.45Å; I82-L85 PolarHBondContact O-N 3.18Å; G83-L85 VanDerWaalsContact C-N 3.27Å; L85-V129 HydrophobicContact CD1-CG2 4.45Å | ||
| 86 | A | 30.6 | Very low | 32.2 | Very low | 61 Ų | 61 | 101.1 Ų | 101.1 | 50% | 0.504 | 64% | 0.636 | S | S | . | * | trans | -88.5 | 136.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G88 | A86-G88 PolarHBondContact O-N 2.93Š| ||
| 87 | P | 30.6 | Very low | 31.8 | Very low | 138 Ų | 138 | 103.3 Ų | 103.3 | 90% | 0.896 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 119.9 | -179.3 | 27.3 | -33.6 | 0 | 0 | 0 | 111.1 | ||
| 88 | G | 31 | Very low | 31.3 | Very low | 80 Ų | 80 | 105.3 Ų | 105.3 | 83% | 0.825 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.9 | 3.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | A86 | A86-G88 PolarHBondContact O-N 2.93Š|
| 89 | K | 27.7 | Very low | 30.7 | Very low | 194 Ų | 194 | 107.8 Ų | 107.8 | 84% | 0.843 | 66% | 0.658 | S | S | * | * | trans | -147 | 68.1 | 176.3 | -72.6 | -165.9 | 178.2 | -178.4 | 0 | 115.5 | ||||
| 90 | I | 29.8 | Very low | 30.3 | Very low | 91 Ų | 91 | 111 Ų | 111 | 47% | 0.467 | 67% | 0.668 | S | S | . | * | trans | -136.4 | 87.2 | 160.1 | -59.5 | -173.1 | 0 | 0 | 0 | 109.5 | A84 L92 | A84-I90 HydrophobicContact CB-CD1 4.11Å; A84-I90 WeakPolarHBondContact O-CD1 3.21Å; I90-L92 HydrophobicContact CG2-CD1 3.63Å; I90-L92 HydrophobicContact CG2-CG 3.57Å | ||
| 91 | G | 25.1 | Very low | 29.8 | Very low | 80 Ų | 80 | 113.1 Ų | 113.1 | 83% | 0.825 | 68% | 0.684 | S | S | * | * | trans | -93.7 | 112.5 | 149.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 92 | L | 28.1 | Very low | 29.3 | Very low | 145 Ų | 145 | 116.5 Ų | 116.5 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | trans | -97.8 | 127.4 | 173.2 | -76.3 | 165.1 | 0 | 0 | 0 | 108.9 | I90 L94 | I90-L92 HydrophobicContact CG2-CD1 3.63Å; I90-L92 HydrophobicContact CG2-CG 3.57Å; L92-L94 PolarHBondContact O-N 3.25Å | ||
| 93 | P | 26.8 | Very low | 28.8 | Very low | 105 Ų | 105 | 122.7 Ų | 122.7 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | trans | -65.5 | 134 | 177.8 | 27.7 | -33.3 | 0 | 0 | 0 | 110 | S95 | P93-S95 PolarHBondContact O-N 2.88Š| ||
| 94 | L | 26.3 | Very low | 28.4 | Very low | 153 Ų | 153 | 125.6 Ų | 125.6 | 80% | 0.801 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -75 | 89.8 | 178.7 | -150.6 | 76.9 | 0 | 0 | 0 | 108.4 | L92 | L92-L94 PolarHBondContact O-N 3.25Š|
| 95 | S | 27.9 | Very low | 27.9 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | trans | -140.3 | -23.4 | -174.3 | -55.8 | 0 | 0 | 0 | 0 | 115.6 | P93 | P93-S95 PolarHBondContact O-N 2.88Š| ||
| 96 | D | 31 | Very low | 27.6 | Very low | 162 Ų | 162 | 128 Ų | 128 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -113.7 | 19.4 | -177.7 | -63.9 | -53.7 | 0 | 0 | 0 | 113.8 | ||
| 97 | L | 29.6 | Very low | 27.5 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | -118.4 | 72.7 | 177.2 | -78.8 | 165.9 | 0 | 0 | 0 | 110.8 | ||||
| 98 | E | 24.7 | Very low | 27.4 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | -65.5 | 134.7 | 164 | -167.3 | -168.9 | 102.1 | 0 | 0 | 109.8 | ||||
| 99 | N | 26.6 | Very low | 27.3 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 70.8 | 87.6 | 177.4 | -51.3 | -55.9 | 0 | 0 | 0 | 117.3 | ||
| 100 | I | 29 | Very low | 27.3 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 80% | 0.795 | 75% | 0.752 | S | S | * | * | 176.9 | 132.1 | 122.9 | -87.8 | 151.6 | 0 | 0 | 0 | 108.2 | |||||
| 101 | P | 27 | Very low | 27.2 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | trans | -80 | 127.9 | -169.3 | 30.8 | -35.1 | 0 | 0 | 0 | 113.4 | F103 | P101-F103 HydrophobicContact CB-CD2 4.36Å; P101-F103 HydrophobicContact CB-CE2 4.2Å | ||
| 102 | I | 24.9 | Very low | 27.1 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | -100 | 107.5 | 168.1 | -56.4 | 173 | 0 | 0 | 0 | 107.9 | ||||
| 103 | F | 26.8 | Very low | 27.1 | Very low | 190 Ų | 190 | 135 Ų | 135 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | trans | -94.1 | 111.8 | 167.4 | -82.8 | -77 | 0 | 0 | 0 | 110 | P101 | P101-F103 HydrophobicContact CB-CD2 4.36Å; P101-F103 HydrophobicContact CB-CE2 4.2Å | ||
| 104 | N | 25.3 | Very low | 27 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | -89.6 | 123.3 | 178 | -178.7 | 21 | 0 | 0 | 0 | 109.9 | ||||
| 105 | T | 25.8 | Very low | 27.1 | Very low | 135 Ų | 135 | 135 Ų | 135 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | trans | -143.4 | 112.5 | 168.8 | 54 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 106 | G | 25.7 | Very low | 27.1 | Very low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 109.4 | 97.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 107 | D | 27.7 | Very low | 26.8 | Very low | 160 Ų | 160 | 141 Ų | 141 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | 72.4 | 143.3 | 165.1 | -148.8 | 11.3 | 0 | 0 | 0 | 118.5 | ||||
| 108 | S | 28.1 | Very low | 26.7 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -110.4 | 99 | -165.1 | 54.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 109 | G | 29.2 | Very low | 26.8 | Very low | 63 Ų | 63 | 132.7 Ų | 132.7 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | trans | -148.2 | 131.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 110 | P | 28.4 | Very low | 26.9 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -68.1 | 142.9 | 166.7 | 30.6 | -33.1 | 0 | 0 | 0 | 109.7 | E112 | P110-E112 PolarHBondContact O-N 3.27Š| ||
| 111 | L | 26.4 | Very low | 27 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -69.5 | 100.1 | -179.7 | -152.9 | 83.6 | 0 | 0 | 0 | 110.3 | L113 | L111-L113 PolarHBondContact O-N 2.96Š| ||
| 112 | E | 24.7 | Very low | 27.3 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -75.4 | 102.1 | 179.9 | -171.8 | -179.9 | 117.6 | 0 | 0 | 111 | P110 Q114 | P110-E112 PolarHBondContact O-N 3.27Å; E112-Q114 HydrophobicContact CG-CG 4.27Å; E112-Q114 PolarHBondContact O-N 2.82Å; E112-Q114 VanDerWaalsContact O-N 3.13Å; E112-Q114 VanDerWaalsContact OE1-CG 3.24Å; E112-Q114 WeakPolarHBondContact OE1-CG 3.48Å; E112-Q114 PolarHBondContact OE1-NE2 2.84Å | ||
| 113 | L | 27.2 | Very low | 27.9 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -75.8 | 94.4 | 164.1 | -77.4 | 169.4 | 0 | 0 | 0 | 109.3 | L111 A115 | L111-L113 PolarHBondContact O-N 2.96Å; L113-A115 PolarHBondContact O-N 2.92Å | ||
| 114 | Q | 25.3 | Very low | 28.2 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -60.5 | 104.9 | 171.8 | -75.8 | -173.5 | -32.3 | 0 | 0 | 110.8 | E112 L116 | E112-Q114 HydrophobicContact CG-CG 4.27Å; E112-Q114 PolarHBondContact O-N 2.82Å; E112-Q114 VanDerWaalsContact O-N 3.13Å; E112-Q114 VanDerWaalsContact OE1-CG 3.24Å; E112-Q114 WeakPolarHBondContact OE1-CG 3.48Å; E112-Q114 PolarHBondContact OE1-NE2 2.84Å; Q114-L116 PolarHBondContact O-N 3.37Å | ||
| 115 | A | 27.9 | Very low | 28.8 | Very low | 95 Ų | 95 | 128 Ų | 128 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -70.3 | 121.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | L113 Q117 | L113-A115 PolarHBondContact O-N 2.92Å; A115-Q117 PolarHBondContact O-N 3.09Å | ||
| 116 | L | 27.3 | Very low | 29.4 | Very low | 176 Ų | 176 | 123.5 Ų | 123.5 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -55.8 | 124.1 | 177.1 | -100.5 | 165.2 | 0 | 0 | 0 | 110.8 | Q114 G118 | Q114-L116 PolarHBondContact O-N 3.37Å; L116-G118 PolarHBondContact O-N 3.4Å | ||
| 117 | Q | 25.4 | Very low | 30 | Very low | 204 Ų | 204 | 127.8 Ų | 127.8 | 95% | 0.953 | 77% | 0.77 | S | S | * | * | trans | -76.3 | 81.6 | -173 | -166.2 | 171.1 | 19.5 | 0 | 0 | 110.8 | A115 | A115-Q117 PolarHBondContact O-N 3.09Š| ||
| 118 | G | 27.6 | Very low | 30.6 | Very low | 70 Ų | 70 | 122.2 Ų | 122.2 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | -167.7 | 111.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L116 | L116-G118 PolarHBondContact O-N 3.4Š| ||
| 119 | G | 27.1 | Very low | 31.3 | Very low | 75 Ų | 75 | 117.9 Ų | 117.9 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | trans | 76.2 | 104.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q121 | G119-Q121 PolarHBondContact O-N 2.91Š| ||
| 120 | A | 27.3 | Very low | 32.4 | Very low | 99 Ų | 99 | 118.4 Ų | 118.4 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | trans | -68.1 | 102.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 121 | Q | 31.2 | Very low | 33.6 | Very low | 180 Ų | 180 | 115 Ų | 115 | 84% | 0.841 | 67% | 0.669 | S | S | * | * | trans | -127.2 | 84.8 | 158.5 | -72.2 | -65.3 | -81.9 | 0 | 0 | 108.1 | G119 L123 | G119-Q121 PolarHBondContact O-N 2.91Å; Q121-L123 PolarHBondContact O-N 2.92Å | ||
| 122 | A | 33.2 | Very low | 34.9 | Very low | 89 Ų | 89 | 107.5 Ų | 107.5 | 74% | 0.736 | 63% | 0.63 | S | S | * | * | trans | -65.2 | 130 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q124 | A122-Q124 PolarHBondContact O-N 3.33Š| ||
| 123 | L | 38.4 | Very low | 36.4 | Very low | 126 Ų | 126 | 104.4 Ų | 104.4 | 66% | 0.66 | 62% | 0.615 | S | S | * | * | trans | -67.5 | 76.2 | 176 | -77.9 | 164.5 | 0 | 0 | 0 | 111.2 | Q121 G125 V126 | Q121-L123 PolarHBondContact O-N 2.92Å; L123-G125 PolarHBondContact O-N 3.44Å; L123-V126 HydrophobicContact CB-CG2 4.21Å; L123-V126 HydrophobicContact CD2-CG2 4.36Å | ||
| 124 | Q | 33.8 | Very low | 37.9 | Very low | 193 Ų | 193 | 99 Ų | 99 | 90% | 0.902 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 117.9 | 169.2 | -74.5 | -172.6 | -39.5 | 0 | 0 | 109.5 | A122 | A122-Q124 PolarHBondContact O-N 3.33Š|
| 125 | G | 37.5 | Very low | 39 | Very low | 75 Ų | 75 | 96 Ų | 96 | 77% | 0.773 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117.3 | -17.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L123 | L123-G125 PolarHBondContact O-N 3.44Š|
| 126 | V | 37.4 | Very low | 39.8 | Very low | 41 Ų | 41 | 92.9 Ų | 92.9 | 25% | 0.248 | 55% | 0.548 | C | S | . | . | trans | -88.2 | 115.2 | 175.4 | -166.6 | 0 | 0 | 0 | 0 | 109 | I82 L123 T128 T146 | I82-V126 HydrophobicContact CD1-CB 3.83Å; I82-V126 HydrophobicContact CD1-CG1 3.48Å; I82-V126 VanDerWaalsContact CD1-CG1 3.48Å; I82-V126 WeakPolarHBondContact CD1-O 3.26Å; L123-V126 HydrophobicContact CB-CG2 4.21Å; L123-V126 HydrophobicContact CD2-CG2 4.36Å; V126-T128 WeakPolarHBondContact CG1-O 3.33Å; V126-T146 HydrophobicContact CG1-CG2 3.56Å; V126-T146 HydrophobicContact CG2-CG2 4.45Å | ||
| 127 | Q | 39.3 | Very low | 41.4 | Very low | 162 Ų | 162 | 87.3 Ų | 87.3 | 76% | 0.757 | 53% | 0.533 | S | S | * | . | trans | -97.1 | -27.3 | 177.2 | -78.5 | -173.7 | 6.7 | 0 | 0 | 114 | P81 I82 | P81-Q127 WeakPolarHBondContact CA-O 3.37Å; I82-Q127 PolarHBondContact N-O 2.92Å | ||
| 128 | T | 40.3 | Very low | 42.6 | Very low | 43 Ų | 43 | 86 Ų | 86 | 26% | 0.264 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 150.1 | -176.9 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | P79 V80 V126 P147 | P79-T128 HydrophobicContact CB-CG2 4.25Å; V80-T128 WeakPolarHBondContact O-CA 3.46Å; V126-T128 WeakPolarHBondContact CG1-O 3.33Å; T128-P147 VanDerWaalsContact O-CD 3.25Å; T128-P147 WeakPolarHBondContact O-CD 3.35Å; T128-P147 VanDerWaalsContact OG1-CG 3.27Å; T128-P147 WeakPolarHBondContact OG1-CG 3.19Å |
| 129 | V | 41.4 | Very low | 43.2 | Very low | 22 Ų | 22 | 88.3 Ų | 88.3 | 13% | 0.133 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 137.9 | 168.7 | -84.9 | 0 | 0 | 0 | 0 | 109.1 | I82 L85 T146 | I82-V129 HydrophobicContact CD1-CG1 4.38Å; I82-V129 HydrophobicContact CG1-CG2 4.31Å; L85-V129 HydrophobicContact CD1-CG2 4.45Å; V129-T146 HydrophobicContact CG1-CG2 4Å |
| 130 | K | 52.7 | Low | 44.2 | Very low | 74 Ų | 74 | 92.3 Ų | 92.3 | 32% | 0.322 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116.1 | 170.2 | 178.1 | -175.6 | 177.9 | -173.6 | 0 | 108.8 | N76 T132 T145 | N76-K130 PolarHBondContact ND2-NZ 3.03Å; N76-K130 WeakPolarHBondContact OD1-CE 3.13Å; N76-K130 PolarHBondContact OD1-NZ 2.95Å; K130-T132 WeakPolarHBondContact CE-OG1 3.47Å; K130-T145 PolarHBondContact N-O 2.94Å; K130-T145 PolarHBondContact O-N 3.31Å; K130-T145 PolarHBondContact O-OG1 2.9Å |
| 131 | L | 54.3 | Low | 45.3 | Very low | 57 Ų | 57 | 89.2 Ų | 89.2 | 30% | 0.298 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 126.3 | 168.9 | -68.4 | 161.9 | 0 | 0 | 0 | 108.9 | I142 L144 | L131-I142 HydrophobicContact CD2-CG2 3.84Å; L131-L144 HydrophobicContact CD2-CD1 3.97Å; L131-L144 HydrophobicContact CD2-CG 3.86Å |
| 132 | T | 54.2 | Low | 46.2 | Very low | 12 Ų | 12 | 84.4 Ų | 84.4 | 7% | 0.074 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 116.5 | 174.1 | -47.6 | 0 | 0 | 0 | 0 | 109 | T74 K130 I134 L143 | T74-T132 HydrophobicContact CG2-CG2 3.89Å; K130-T132 WeakPolarHBondContact CE-OG1 3.47Å; T132-I134 HydrophobicContact CG2-CG1 4.1Å; T132-L143 PolarHBondContact N-O 3.4Å; T132-L143 PolarHBondContact O-N 3.47Å |
| 133 | F | 55.7 | Low | 47.3 | Very low | 86 Ų | 86 | 82.8 Ų | 82.8 | 38% | 0.377 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 121.6 | 173.2 | -69.2 | -93.6 | 0 | 0 | 0 | 108.9 | I142 | F133-I142 HydrophobicContact CD1-CD1 4.35Å; F133-I142 HydrophobicContact CD1-CG1 3.89Å; F133-I142 HydrophobicContact CE1-CD1 3.61Å; F133-I142 HydrophobicContact CE1-CG1 3.66Å; F133-I142 HydrophobicContact CZ-CD1 4.2Å; F133-I142 HydrophobicContact CZ-CG1 4.45Å |
| 134 | I | 58.1 | Low | 48.1 | Very low | 37 Ų | 37 | 80.4 Ų | 80.4 | 19% | 0.19 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 109.3 | -179.6 | -48.3 | 178.3 | 0 | 0 | 0 | 107.4 | T132 C136 T141 L143 | T132-I134 HydrophobicContact CG2-CG1 4.1Å; I134-C136 PolarHBondContact O-SG 2.99Å; I134-T141 PolarHBondContact N-O 2.98Å; I134-T141 PolarHBondContact O-N 2.96Å; I134-L143 HydrophobicContact CD1-CB 4.21Å; I134-L143 HydrophobicContact CD1-CD2 4.29Å |
| 135 | N | 49.8 | Very low | 48.8 | Very low | 99 Ų | 99 | 73.7 Ų | 73.7 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 126.3 | 173.3 | -167.2 | -2.5 | 0 | 0 | 0 | 109.6 | G137 | N135-G137 PolarHBondContact OD1-O 3.37Å; N135-G137 VanDerWaalsContact OD1-O 3.08Å |
| 136 | C | 43.7 | Very low | 49.5 | Very low | 31 Ų | 31 | 73.4 Ų | 73.4 | 21% | 0.209 | 40% | 0.395 | C | S | . | . | trans | -127.1 | 49.1 | -166.2 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | I134 Q139 R432 | I134-C136 PolarHBondContact O-SG 2.99Å; C136-Q139 WeakPolarHBondContact CA-O 3.33Å; C136-Q139 VanDerWaalsContact CB-O 3.31Å; C136-Q139 WeakPolarHBondContact CB-O 3.31Å; C136-Q139 PolarHBondContact N-O 3.48Å; C136-R432 PolarHBondContact SG-NH1 3.27Å | ||
| 137 | G | 61.8 | Low | 49.7 | Very low | 59 Ų | 59 | 74.7 Ų | 74.7 | 61% | 0.608 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 82.2 | -119.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | N135 Q139 | N135-G137 PolarHBondContact OD1-O 3.37Å; N135-G137 VanDerWaalsContact OD1-O 3.08Å; G137-Q139 VanDerWaalsContact C-N 3.26Å; G137-Q139 PolarHBondContact O-N 3.43Å |
| 138 | D | 49.9 | Very low | 49.8 | Very low | 175 Ų | 175 | 72.5 Ų | 72.5 | 94% | 0.936 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -83.6 | -3.2 | -179 | -42.8 | -43.3 | 0 | 0 | 0 | 112.7 | ||
| 139 | Q | 40.7 | Very low | 49.9 | Very low | 120 Ų | 120 | 75.7 Ų | 75.7 | 56% | 0.561 | 43% | 0.426 | S | S | * | . | trans | -115.1 | 133.1 | -177.2 | -63.4 | -176.8 | -0.8 | 0 | 0 | 111.8 | C136 G137 | C136-Q139 WeakPolarHBondContact CA-O 3.33Å; C136-Q139 VanDerWaalsContact CB-O 3.31Å; C136-Q139 WeakPolarHBondContact CB-O 3.31Å; C136-Q139 PolarHBondContact N-O 3.48Å; G137-Q139 VanDerWaalsContact C-N 3.26Å; G137-Q139 PolarHBondContact O-N 3.43Å | ||
| 140 | Q | 47.9 | Very low | 49.5 | Very low | 158 Ų | 158 | 83.5 Ų | 83.5 | 74% | 0.738 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127 | 168.5 | -60.4 | -173.8 | 20 | 0 | 0 | 109.8 | ||
| 141 | T | 50 | Low | 48.5 | Very low | 35 Ų | 35 | 88.9 Ų | 88.9 | 22% | 0.215 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.6 | 175.7 | -50.4 | 0 | 0 | 0 | 0 | 110.3 | I134 | I134-T141 PolarHBondContact N-O 2.98Å; I134-T141 PolarHBondContact O-N 2.96Å |
| 142 | I | 51.3 | Low | 47.3 | Very low | 79 Ų | 79 | 92.2 Ų | 92.2 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 118.9 | 172.4 | -49 | -179.1 | 0 | 0 | 0 | 108.5 | L131 F133 L144 | L131-I142 HydrophobicContact CD2-CG2 3.84Å; F133-I142 HydrophobicContact CD1-CD1 4.35Å; F133-I142 HydrophobicContact CD1-CG1 3.89Å; F133-I142 HydrophobicContact CE1-CD1 3.61Å; F133-I142 HydrophobicContact CE1-CG1 3.66Å; F133-I142 HydrophobicContact CZ-CD1 4.2Å; F133-I142 HydrophobicContact CZ-CG1 4.45Å; I142-L144 HydrophobicContact CG2-CD1 4.08Å |
| 143 | L | 56.1 | Low | 46.2 | Very low | 54 Ų | 54 | 99.7 Ų | 99.7 | 28% | 0.283 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.6 | 173.1 | 177.2 | 66.9 | 0 | 0 | 0 | 109.8 | T132 I134 T145 | T132-L143 PolarHBondContact N-O 3.4Å; T132-L143 PolarHBondContact O-N 3.47Å; I134-L143 HydrophobicContact CD1-CB 4.21Å; I134-L143 HydrophobicContact CD1-CD2 4.29Å; L143-T145 HydrophobicContact CD1-CG2 4.49Å; L143-T145 HydrophobicContact CD2-CG2 4.1Å; L143-T145 HydrophobicContact CG-CG2 4.07Å |
| 144 | L | 54.3 | Low | 45 | Very low | 76 Ų | 76 | 101 Ų | 101 | 40% | 0.398 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.4 | 169.8 | -76.5 | 76.6 | 0 | 0 | 0 | 108.8 | L131 I142 | L131-L144 HydrophobicContact CD2-CD1 3.97Å; L131-L144 HydrophobicContact CD2-CG 3.86Å; I142-L144 HydrophobicContact CG2-CD1 4.08Å |
| 145 | T | 49.4 | Very low | 43.7 | Very low | 53 Ų | 53 | 106.5 Ų | 106.5 | 33% | 0.325 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127 | 131 | 172.5 | 43.8 | 0 | 0 | 0 | 0 | 110 | K130 L143 | K130-T145 PolarHBondContact N-O 2.94Å; K130-T145 PolarHBondContact O-N 3.31Å; K130-T145 PolarHBondContact O-OG1 2.9Å; L143-T145 HydrophobicContact CD1-CG2 4.49Å; L143-T145 HydrophobicContact CD2-CG2 4.1Å; L143-T145 HydrophobicContact CG-CG2 4.07Å |
| 146 | T | 50.3 | Low | 43 | Very low | 68 Ų | 68 | 110.7 Ų | 110.7 | 42% | 0.417 | 61% | 0.607 | S | S | . | * | trans | -81.3 | 136.9 | 167.1 | 47.1 | 0 | 0 | 0 | 0 | 108.9 | V126 V129 S148 | V126-T146 HydrophobicContact CG1-CG2 3.56Å; V126-T146 HydrophobicContact CG2-CG2 4.45Å; V129-T146 HydrophobicContact CG1-CG2 4Å; T146-S148 PolarHBondContact O-N 3.19Å | ||
| 147 | P | 43.5 | Very low | 42.5 | Very low | 68 Ų | 68 | 114.6 Ų | 114.6 | 44% | 0.442 | 64% | 0.635 | S | S | . | * | trans | -73.2 | 118.5 | 171.8 | 28 | -28.9 | 0 | 0 | 0 | 109.1 | T128 T149 | T128-P147 VanDerWaalsContact O-CD 3.25Å; T128-P147 WeakPolarHBondContact O-CD 3.35Å; T128-P147 VanDerWaalsContact OG1-CG 3.27Å; T128-P147 WeakPolarHBondContact OG1-CG 3.19Å; P147-T149 PolarHBondContact O-N 2.58Å | ||
| 148 | S | 41.3 | Very low | 41.5 | Very low | 116 Ų | 116 | 118 Ų | 118 | 81% | 0.811 | 64% | 0.638 | S | S | * | * | trans | -65.9 | 93.2 | -179.9 | -45.1 | 0 | 0 | 0 | 0 | 111.3 | T146 | T146-S148 PolarHBondContact O-N 3.19Š| ||
| 149 | T | 41.5 | Very low | 40.8 | Very low | 110 Ų | 110 | 116.6 Ų | 116.6 | 68% | 0.675 | 63% | 0.631 | S | S | * | * | trans | -79.9 | 130.3 | 166.9 | 46.9 | 0 | 0 | 0 | 0 | 109.7 | P147 F151 | P147-T149 PolarHBondContact O-N 2.58Å; T149-F151 PolarHBondContact O-N 2.88Å | ||
| 150 | H | 33.2 | Very low | 40.7 | Very low | 187 Ų | 187 | 113.6 Ų | 113.6 | 87% | 0.866 | 63% | 0.632 | S | S | * | * | trans | -78.6 | 79.9 | -168.9 | -149.9 | -81.3 | 0 | 0 | 0 | 111.3 | ||||
| 151 | F | 31 | Very low | 40.1 | Very low | 186 Ų | 186 | 113 Ų | 113 | 82% | 0.816 | 63% | 0.631 | S | S | * | * | trans | -109.4 | 125.8 | 173 | -96.8 | -85.3 | 0 | 0 | 0 | 111.6 | T149 M153 | T149-F151 PolarHBondContact O-N 2.88Å; F151-M153 PolarHBondContact O-N 3.48Å | ||
| 152 | T | 29.3 | Very low | 39.5 | Very low | 128 Ų | 128 | 115.7 Ų | 115.7 | 79% | 0.785 | 65% | 0.647 | S | S | * | * | trans | -77.1 | 99.9 | -177.8 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 153 | M | 31.7 | Very low | 38.4 | Very low | 168 Ų | 168 | 117.9 Ų | 117.9 | 83% | 0.828 | 66% | 0.659 | S | S | * | * | trans | -134.6 | 141.2 | 160.3 | -77.1 | -68.1 | -78.5 | 0 | 0 | 108.6 | F151 | F151-M153 PolarHBondContact O-N 3.48Š| ||
| 154 | P | 31.1 | Very low | 37.3 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 74% | 0.74 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -76.5 | 142.2 | 177.6 | 31.8 | -33.1 | 0 | 0 | 0 | 111.1 | ||
| 155 | D | 29.5 | Very low | 36.1 | Very low | 153 Ų | 153 | 124.2 Ų | 124.2 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 65.2 | 77.9 | 160.1 | -151.7 | 31.2 | 0 | 0 | 0 | 118 | ||
| 156 | Q | 34.9 | Very low | 35.1 | Very low | 186 Ų | 186 | 126.3 Ų | 126.3 | 87% | 0.869 | 71% | 0.712 | S | S | * | * | trans | -172.1 | 100.5 | 141.7 | -107 | 164.7 | 105.4 | 0 | 0 | 111 | L158 | Q156-L158 PolarHBondContact O-N 3.06Š| ||
| 157 | S | 34.1 | Very low | 34.4 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | trans | -83 | 94.6 | 177.2 | 57.9 | 0 | 0 | 0 | 0 | 111.5 | D159 | S157-D159 VanDerWaalsContact C-N 3.28Å; S157-D159 PolarHBondContact O-N 3.23Å | ||
| 158 | L | 40.4 | Very low | 34.1 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | trans | -89.5 | 50.6 | 177.6 | -155.2 | 85.3 | 0 | 0 | 0 | 112.6 | Q156 G160 | Q156-L158 PolarHBondContact O-N 3.06Å; L158-G160 PolarHBondContact O-N 3.33Å | ||
| 159 | D | 35.8 | Very low | 33.8 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | -81.2 | 111.3 | -179.6 | -85.9 | -55.4 | 0 | 0 | 0 | 112.4 | S157 | S157-D159 VanDerWaalsContact C-N 3.28Å; S157-D159 PolarHBondContact O-N 3.23Å | ||
| 160 | G | 38.9 | Very low | 33.4 | Very low | 56 Ų | 56 | 136.7 Ų | 136.7 | 58% | 0.577 | 75% | 0.747 | S | S | * | * | trans | 80.1 | 56.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | L158 T162 | L158-G160 PolarHBondContact O-N 3.33Å; G160-T162 PolarHBondContact O-N 2.92Å; G160-T162 VanDerWaalsContact O-N 3.11Å | ||
| 161 | M | 34.6 | Very low | 33.2 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | trans | -65.7 | 108.5 | 169.4 | -155.4 | 75.4 | -172.4 | 0 | 0 | 110.9 | ||||
| 162 | T | 37.1 | Very low | 33.2 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | trans | -96.9 | 118.8 | 174.5 | -57.8 | 0 | 0 | 0 | 0 | 109.5 | G160 T164 | G160-T162 PolarHBondContact O-N 2.92Å; G160-T162 VanDerWaalsContact O-N 3.11Å; T162-T164 HydrophobicContact CG2-CG2 4.37Å | ||
| 163 | L | 29 | Very low | 33.2 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | trans | -99.1 | 112.6 | 171.9 | -69.6 | 174.5 | 0 | 0 | 0 | 109.7 | ||||
| 164 | T | 31.6 | Very low | 33.1 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 121.3 | 168.8 | 50.3 | 0 | 0 | 0 | 0 | 109.3 | T162 | T162-T164 HydrophobicContact CG2-CG2 4.37Š|
| 165 | L | 30.5 | Very low | 32.9 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 143 | 172 | -73.1 | 164.8 | 0 | 0 | 0 | 110.2 | ||
| 166 | P | 28.4 | Very low | 33 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 62% | 0.623 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -68 | 149.8 | 177.9 | -18.5 | 32 | 0 | 0 | 0 | 113 | N168 | P166-N168 PolarHBondContact O-N 3.2Š|
| 167 | D | 35.8 | Very low | 32.6 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -61.7 | -7.7 | -172 | -57.9 | -75.8 | 0 | 0 | 0 | 116.2 | L169 | D167-L169 PolarHBondContact O-N 2.92Š|
| 168 | N | 35.6 | Very low | 32.3 | Very low | 149 Ų | 149 | 124.8 Ų | 124.8 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -85.1 | 5.2 | -170 | -72.5 | -17.4 | 0 | 0 | 0 | 115.9 | P166 | P166-N168 PolarHBondContact O-N 3.2Š|
| 169 | L | 35.9 | Very low | 31.7 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -112.9 | 7.1 | 178.8 | -69.4 | 176.7 | 0 | 0 | 0 | 114.4 | D167 | D167-L169 PolarHBondContact O-N 2.92Š|
| 170 | L | 33.4 | Very low | 31.3 | Very low | 153 Ų | 153 | 126.4 Ų | 126.4 | 80% | 0.801 | 74% | 0.736 | S | S | * | * | trans | -127 | 35.1 | -177.6 | -65.8 | 174.5 | 0 | 0 | 0 | 112.6 | ||||
| 171 | A | 29.3 | Very low | 30.7 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | -103.4 | 15.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 172 | T | 31 | Very low | 30.5 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -108.7 | 129 | 176.3 | 14.2 | 0 | 0 | 0 | 0 | 111.3 | L174 | T172-L174 PolarHBondContact O-N 2.81Å; T172-L174 VanDerWaalsContact O-N 3.16Å |
| 173 | D | 27.9 | Very low | 30 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | trans | -55.7 | 109.2 | -169.3 | -64.5 | -82.4 | 0 | 0 | 0 | 115.1 | N175 | D173-N175 PolarHBondContact O-N 3.46Š| ||
| 174 | L | 30.5 | Very low | 29.9 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -91.4 | 77.8 | 167.6 | -71.3 | -179.8 | 0 | 0 | 0 | 111 | T172 F176 | T172-L174 PolarHBondContact O-N 2.81Å; T172-L174 VanDerWaalsContact O-N 3.16Å; L174-F176 HydrophobicContact CB-CD2 4.32Å; L174-F176 HydrophobicContact CB-CE2 4.07Å; L174-F176 HydrophobicContact CD2-CE2 4.36Å; L174-F176 PolarHBondContact O-N 3.39Å | ||
| 175 | N | 27.7 | Very low | 29.9 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -76 | 108.5 | 175.3 | -179.1 | 14.8 | 0 | 0 | 0 | 111.6 | D173 A177 | D173-N175 PolarHBondContact O-N 3.46Å; N175-A177 PolarHBondContact OD1-N 2.8Å | ||
| 176 | F | 30.8 | Very low | 30 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | trans | -111.9 | 47.6 | 174.7 | -75.9 | -77.1 | 0 | 0 | 0 | 113.1 | L174 G178 | L174-F176 HydrophobicContact CB-CD2 4.32Å; L174-F176 HydrophobicContact CB-CE2 4.07Å; L174-F176 HydrophobicContact CD2-CE2 4.36Å; L174-F176 PolarHBondContact O-N 3.39Å; F176-G178 PolarHBondContact O-N 3.42Å | ||
| 177 | A | 26.8 | Very low | 29.9 | Very low | 93 Ų | 93 | 141 Ų | 141 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -92.1 | 77 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N175 | N175-A177 PolarHBondContact OD1-N 2.8Š| ||
| 178 | G | 27.3 | Very low | 29.9 | Very low | 62 Ų | 62 | 140.8 Ų | 140.8 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | trans | 176.9 | 157 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F176 | F176-G178 PolarHBondContact O-N 3.42Š| ||
| 179 | L | 27.5 | Very low | 29.7 | Very low | 172 Ų | 172 | 140 Ų | 140 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | 76.1 | 76.2 | 176.8 | -48.9 | -175.3 | 0 | 0 | 0 | 116.4 | S181 | L179-S181 PolarHBondContact O-N 3.33Š| ||
| 180 | T | 27.6 | Very low | 29.6 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 119.1 | 145.9 | 49 | 0 | 0 | 0 | 0 | 110.6 | ||
| 181 | S | 27.5 | Very low | 29.6 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 137.6 | 173.7 | -167.3 | 0 | 0 | 0 | 0 | 111 | L179 | L179-S181 PolarHBondContact O-N 3.33Š|
| 182 | M | 30 | Very low | 30 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 144.2 | -175 | -66.7 | -155.8 | 73.3 | 0 | 0 | 113 | ||
| 183 | Q | 25.5 | Very low | 30.3 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 126.5 | 169.7 | -171.2 | 86.8 | 10.9 | 0 | 0 | 110.5 | ||
| 184 | L | 28.3 | Very low | 30.9 | Very low | 179 Ų | 179 | 138 Ų | 138 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | trans | -127.9 | 108.4 | 157 | -156.1 | 77.5 | 0 | 0 | 0 | 108.8 | ||||
| 185 | G | 31.1 | Very low | 31.1 | Very low | 53 Ų | 53 | 138.3 Ų | 138.3 | 55% | 0.546 | 79% | 0.794 | S | S | . | * | trans | -105.4 | 150.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 186 | E | 31.6 | Very low | 31.6 | Very low | 185 Ų | 185 | 136.5 Ų | 136.5 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | 43.1 | 109.5 | 158 | -86.4 | 164.5 | 84.1 | 0 | 0 | 120.2 | ||||
| 187 | M | 27.8 | Very low | 32 | Very low | 193 Ų | 193 | 133.2 Ų | 133.2 | 95% | 0.951 | 79% | 0.791 | S | S | * | * | trans | -81.6 | 131.5 | 156.6 | -61.9 | 178.1 | -78.3 | 0 | 0 | 109.9 | ||||
| 188 | T | 34.6 | Very low | 32.6 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | trans | -115.4 | 144 | 170.2 | 55.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 189 | S | 31 | Very low | 32.9 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 92% | 0.923 | 80% | 0.801 | S | S | * | * | trans | -71.4 | 160.6 | -162.3 | -49.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 190 | G | 34.8 | Very low | 33.4 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | 123.5 | 140.5 | 149.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 191 | N | 32 | Very low | 33.9 | Very low | 141 Ų | 141 | 139.3 Ų | 139.3 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | cis | -162.3 | 173.9 | -14.4 | -165.1 | 35.7 | 0 | 0 | 0 | 108.8 | ||||
| 192 | D | 37.7 | Very low | 34.1 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 66% | 0.663 | 79% | 0.793 | S | S | * | * | trans | 77.7 | 91.3 | 158.4 | -60.8 | -57.1 | 0 | 0 | 0 | 122.8 | ||||
| 193 | K | 37.3 | Very low | 34.3 | Very low | 194 Ų | 194 | 136.8 Ų | 136.8 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | 52.7 | 159.4 | 109.4 | -113.7 | -160.3 | 170.6 | 176.9 | 0 | 122.7 | |||||
| 194 | P | 40.9 | Very low | 34.4 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 62% | 0.617 | 79% | 0.786 | S | S | * | * | -136.7 | -156.3 | -71.6 | 43.8 | -25 | 0 | 0 | 0 | 114.2 | |||||
| 195 | N | 34.6 | Very low | 34.5 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 96.8 | 141.7 | 166.5 | -71.1 | -10.6 | 0 | 0 | 0 | 116.7 | ||||
| 196 | S | 39.3 | Very low | 34.6 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | cis | -164.5 | 153.9 | 0.6 | 40.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 197 | S | 38.7 | Very low | 34.6 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | 57.7 | 140.3 | 156.9 | 51.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 198 | E | 38.6 | Very low | 34.9 | Very low | 197 Ų | 197 | 136.6 Ų | 136.6 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | cis | -136.6 | 164.7 | 29.5 | -64.9 | 175.5 | 112.3 | 0 | 0 | 113.7 | ||||
| 199 | G | 33.9 | Very low | 35 | Very low | 66 Ų | 66 | 137.2 Ų | 137.2 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | trans | -127.5 | -176 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 200 | S | 37.7 | Very low | 35.1 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | cis | -163.8 | 146.7 | 7.5 | -64.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 201 | K | 38.6 | Very low | 35.1 | Very low | 215 Ų | 215 | 141 Ų | 141 | 94% | 0.935 | 78% | 0.782 | S | S | * | * | trans | -175.7 | 113.9 | 133 | -105 | 164.4 | -175 | 177.2 | 0 | 111.2 | ||||
| 202 | S | 31.8 | Very low | 35.5 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -98 | 154 | -171.6 | -47 | 0 | 0 | 0 | 0 | 113 | ||||
| 203 | T | 33.4 | Very low | 35.8 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -134.3 | 116.2 | 145.2 | -56.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 204 | N | 28.1 | Very low | 35.7 | Very low | 128 Ų | 128 | 138 Ų | 138 | 68% | 0.684 | 79% | 0.785 | S | S | * | * | trans | -78.8 | 149.2 | -178.6 | -73 | -43.4 | 0 | 0 | 0 | 110.9 | ||||
| 205 | Y | 30 | Very low | 35.8 | Very low | 221 Ų | 221 | 137.4 Ų | 137.4 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | -158.7 | 98.1 | 124.5 | -87.4 | -60.6 | 0 | 0 | 0 | 111.5 | |||||
| 206 | T | 34.7 | Very low | 36.1 | Very low | 114 Ų | 114 | 133 Ų | 133 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | 39.9 | 95 | 141.1 | 52 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 207 | N | 30 | Very low | 36.2 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | 18.3 | 117.9 | 123 | -161.6 | 7.7 | 0 | 0 | 0 | 118.1 | |||||
| 208 | M | 34.3 | Very low | 36.7 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | trans | -96.1 | 110.8 | 174.9 | -66.1 | -77.7 | -88 | 0 | 0 | 110.1 | ||||
| 209 | N | 38.3 | Very low | 36.9 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 142.2 | 175.8 | -88.3 | 18.1 | 0 | 0 | 0 | 112 | L211 | N209-L211 PolarHBondContact O-N 3.4Š|
| 210 | S | 33.3 | Very low | 37.7 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 87% | 0.867 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 133.7 | 177.7 | -57.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 211 | L | 34.4 | Very low | 38.3 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 85% | 0.848 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 147.8 | 173.2 | -72.7 | 163.1 | 0 | 0 | 0 | 111 | N209 | N209-L211 PolarHBondContact O-N 3.4Š|
| 212 | P | 40.9 | Very low | 38.7 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 156.5 | 178.3 | 30.1 | -35.5 | 0 | 0 | 0 | 112.2 | ||
| 213 | P | 43.1 | Very low | 39.6 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 76% | 0.76 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 146.9 | -178.8 | 26.9 | -34.7 | 0 | 0 | 0 | 112.6 | T215 | P213-T215 PolarHBondContact O-N 3.33Š|
| 214 | I | 35.8 | Very low | 40.4 | Very low | 176 Ų | 176 | 125.6 Ų | 125.6 | 90% | 0.903 | 67% | 0.674 | S | S | * | * | trans | -76.6 | 109.1 | -174.1 | -51.5 | 171.9 | 0 | 0 | 0 | 109.2 | ||||
| 215 | T | 42.5 | Very low | 41.4 | Very low | 81 Ų | 81 | 126.4 Ų | 126.4 | 50% | 0.497 | 68% | 0.677 | S | S | . | * | trans | -82.1 | 159.1 | 179.9 | 57.2 | 0 | 0 | 0 | 0 | 113 | P213 | P213-T215 PolarHBondContact O-N 3.33Š| ||
| 216 | S | 41.5 | Very low | 42.5 | Very low | 60 Ų | 60 | 119 Ų | 119 | 42% | 0.42 | 66% | 0.661 | S | S | . | * | trans | -64.5 | 153.1 | 179.1 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | S218 D219 | S216-S218 PolarHBondContact O-N 2.91Å; S216-S218 VanDerWaalsContact O-N 3.09Å; S216-S218 PolarHBondContact OG-N 3.13Å; S216-D219 WeakPolarHBondContact CA-OD2 3.3Å; S216-D219 WeakPolarHBondContact CB-OD2 3.34Å; S216-D219 PolarHBondContact N-OD2 2.88Å; S216-D219 WeakPolarHBondContact O-CB 3.41Å; S216-D219 PolarHBondContact O-N 3.03Å | ||
| 217 | V | 41.1 | Very low | 43.1 | Very low | 89 Ų | 89 | 119.4 Ų | 119.4 | 54% | 0.539 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -60 | -17.8 | 171.3 | -76.8 | 0 | 0 | 0 | 0 | 113 | ||
| 218 | S | 48.7 | Very low | 43.8 | Very low | 82 Ų | 82 | 118.8 Ų | 118.8 | 57% | 0.573 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.8 | -38.9 | 169.1 | -55 | 0 | 0 | 0 | 0 | 113.1 | S216 L221 Y222 | S216-S218 PolarHBondContact O-N 2.91Å; S216-S218 VanDerWaalsContact O-N 3.09Å; S216-S218 PolarHBondContact OG-N 3.13Å; S218-L221 PolarHBondContact O-N 3.35Å; S218-Y222 PolarHBondContact O-N 3.1Å |
| 219 | D | 43.9 | Very low | 44.1 | Very low | 78 Ų | 78 | 117.5 Ų | 117.5 | 42% | 0.417 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -72 | -34.8 | -173.3 | -58.1 | -46.2 | 0 | 0 | 0 | 112.1 | S216 S223 | S216-D219 WeakPolarHBondContact CA-OD2 3.3Å; S216-D219 WeakPolarHBondContact CB-OD2 3.34Å; S216-D219 PolarHBondContact N-OD2 2.88Å; S216-D219 WeakPolarHBondContact O-CB 3.41Å; S216-D219 PolarHBondContact O-N 3.03Å; D219-S223 WeakPolarHBondContact O-CB 3.5Å; D219-S223 PolarHBondContact O-N 3.38Å; D219-S223 VanDerWaalsContact O-N 3.11Å; D219-S223 PolarHBondContact O-OG 3.33Å |
| 220 | K | 49.8 | Very low | 43.9 | Very low | 153 Ų | 153 | 119.5 Ų | 119.5 | 67% | 0.665 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.3 | -35.2 | 175.6 | -82.6 | -167.9 | 170.5 | -171.2 | 0 | 113.2 | Q224 | K220-Q224 PolarHBondContact O-N 3.09Å |
| 221 | L | 50.5 | Low | 43.9 | Very low | 103 Ų | 103 | 119.5 Ų | 119.5 | 54% | 0.539 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -76.8 | -36.4 | 178.4 | -78.3 | 167.8 | 0 | 0 | 0 | 112.4 | S218 Q224 I225 | S218-L221 PolarHBondContact O-N 3.35Å; L221-Q224 PolarHBondContact O-N 3.47Å; L221-I225 PolarHBondContact O-N 2.86Å |
| 222 | Y | 46.7 | Very low | 44.1 | Very low | 190 Ų | 190 | 119.9 Ų | 119.9 | 75% | 0.745 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.5 | -37.8 | 177.1 | -154.4 | -98.4 | 0 | 0 | 0 | 112 | S218 Q224 A226 | S218-Y222 PolarHBondContact O-N 3.1Å; Y222-Q224 VanDerWaalsContact C-N 3.34Å; Y222-Q224 PolarHBondContact O-N 2.86Å; Y222-A226 WeakPolarHBondContact O-CB 3.31Å; Y222-A226 PolarHBondContact O-N 2.87Å |
| 223 | S | 51.3 | Low | 43.8 | Very low | 65 Ų | 65 | 123.9 Ų | 123.9 | 46% | 0.455 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -72.3 | -23.7 | 178.3 | -53.8 | 0 | 0 | 0 | 0 | 113.7 | D219 N227 | D219-S223 WeakPolarHBondContact O-CB 3.5Å; D219-S223 PolarHBondContact O-N 3.38Å; D219-S223 VanDerWaalsContact O-N 3.11Å; D219-S223 PolarHBondContact O-OG 3.33Å; S223-N227 PolarHBondContact O-ND2 2.81Å |
| 224 | Q | 49 | Very low | 43.4 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 59% | 0.589 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -73.8 | -42.1 | 175.8 | -161.3 | 78.2 | 48.6 | 0 | 0 | 111 | K220 L221 Y222 A226 | K220-Q224 PolarHBondContact O-N 3.09Å; L221-Q224 PolarHBondContact O-N 3.47Å; Y222-Q224 VanDerWaalsContact C-N 3.34Å; Y222-Q224 PolarHBondContact O-N 2.86Å; Q224-A226 VanDerWaalsContact C-N 3.32Å; Q224-A226 PolarHBondContact O-N 3.27Å |
| 225 | I | 50.2 | Low | 43.4 | Very low | 144 Ų | 144 | 123.4 Ų | 123.4 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.8 | -23.2 | -177.2 | -61.3 | 167.2 | 0 | 0 | 0 | 112 | L221 | L221-I225 PolarHBondContact O-N 2.86Å |
| 226 | A | 53.8 | Low | 43.2 | Very low | 66 Ų | 66 | 127.7 Ų | 127.7 | 55% | 0.545 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -87 | -15.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y222 Q224 | Y222-A226 WeakPolarHBondContact O-CB 3.31Å; Y222-A226 PolarHBondContact O-N 2.87Å; Q224-A226 VanDerWaalsContact C-N 3.32Å; Q224-A226 PolarHBondContact O-N 3.27Å |
| 227 | N | 46.9 | Very low | 42.7 | Very low | 122 Ų | 122 | 129 Ų | 129 | 65% | 0.652 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -109.9 | -6 | -170.3 | -75.4 | -56.9 | 0 | 0 | 0 | 115.5 | S223 N229 | S223-N227 PolarHBondContact O-ND2 2.81Å; N227-N229 PolarHBondContact O-N 3.37Å |
| 228 | D | 44.6 | Very low | 42.4 | Very low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 27 | 177.4 | -73.7 | -26.7 | 0 | 0 | 0 | 113.3 | ||
| 229 | N | 39.5 | Very low | 41.8 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.6 | 25.4 | -167.2 | -145.7 | 20.9 | 0 | 0 | 0 | 116.2 | N227 | N227-N229 PolarHBondContact O-N 3.37Š|
| 230 | E | 35.1 | Very low | 41.5 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 87% | 0.869 | 72% | 0.717 | S | S | * | * | trans | -157.4 | 99.6 | 165.4 | -139.2 | -179.4 | 106 | 0 | 0 | 112.9 | ||||
| 231 | S | 33.3 | Very low | 41.2 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | trans | 169.3 | 83 | 152.8 | -81.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 232 | I | 38.4 | Very low | 40.6 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | trans | -129.3 | 114 | 155.2 | -64.7 | -175.7 | 0 | 0 | 0 | 108 | ||||
| 233 | Q | 35.1 | Very low | 40.2 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | -67.6 | 137.1 | 175.5 | -74.2 | 174 | -69.1 | 0 | 0 | 111 | ||||
| 234 | Q | 32.9 | Very low | 39.5 | Very low | 196 Ų | 196 | 145.8 Ų | 145.8 | 92% | 0.916 | 76% | 0.758 | S | S | * | * | trans | -79.1 | 119 | 167.2 | -69.2 | 173.3 | -25 | 0 | 0 | 110.5 | ||||
| 235 | S | 37.6 | Very low | 39 | Very low | 88 Ų | 88 | 144.9 Ų | 144.9 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | trans | -169.3 | 148 | 148.9 | 50.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 236 | H | 36.7 | Very low | 38.2 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | trans | 67 | 101.4 | 177 | -47.4 | -74.7 | 0 | 0 | 0 | 114.9 | ||||
| 237 | S | 31.2 | Very low | 37.2 | Very low | 87 Ų | 87 | 147.8 Ų | 147.8 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | cis | 80 | 134.9 | 45.7 | -165.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 238 | Y | 35.6 | Very low | 36.8 | Very low | 215 Ų | 215 | 151.3 Ų | 151.3 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 72.1 | 143.4 | -179.3 | -42.3 | -72.8 | 0 | 0 | 0 | 116.3 | ||||
| 239 | A | 36.6 | Very low | 36.6 | Very low | 73 Ų | 73 | 152.7 Ų | 152.7 | 60% | 0.603 | 79% | 0.785 | S | S | * | * | cis | 176.3 | 139.5 | -37.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 240 | I | 37.1 | Very low | 36.4 | Very low | 148 Ų | 148 | 153 Ų | 153 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | 69.5 | 142.3 | 157.4 | -61 | 160 | 0 | 0 | 0 | 113 | ||||
| 241 | E | 44.1 | Very low | 36.4 | Very low | 182 Ų | 182 | 150.1 Ų | 150.1 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | cis | -146.6 | 177.8 | 13.4 | -143.5 | 138.1 | -149 | 0 | 0 | 112.2 | ||||
| 242 | D | 36.2 | Very low | 36.6 | Very low | 141 Ų | 141 | 150.6 Ų | 150.6 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -63.1 | 161.3 | 174 | -145.5 | -47.6 | 0 | 0 | 0 | 114.1 | ||||
| 243 | L | 38.2 | Very low | 36.7 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | trans | 164.1 | 121.1 | 141.6 | -90.6 | 158.4 | 0 | 0 | 0 | 114 | ||||
| 244 | K | 37.9 | Very low | 36.8 | Very low | 197 Ų | 197 | 147.7 Ų | 147.7 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | trans | -103.7 | 133.5 | 154.2 | -77.3 | 177.8 | 177 | 172.1 | 0 | 110.1 | ||||
| 245 | P | 37.7 | Very low | 37.2 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -137.4 | 146.2 | 130.1 | 20.7 | -0.4 | 0 | 0 | 0 | 111.5 | ||||
| 246 | V | 33.5 | Very low | 37.5 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | cis | 84 | 109 | 43 | 178 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 247 | M | 33.6 | Very low | 37.7 | Very low | 148 Ų | 148 | 144 Ų | 144 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | trans | 73.6 | 123.4 | 153.8 | -71.6 | 179.2 | 76.1 | 0 | 0 | 123.5 | ||||
| 248 | Q | 37.5 | Very low | 38.1 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | -170.5 | 123.5 | 126.8 | -96.2 | 153.1 | 12.9 | 0 | 0 | 106.5 | |||||
| 249 | K | 40.2 | Very low | 38.3 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 70% | 0.704 | 75% | 0.75 | S | S | * | * | cis | 97.3 | 112.8 | 27.3 | -166.6 | -179.1 | -175.1 | -178.1 | 0 | 113.5 | ||||
| 250 | N | 36 | Very low | 38.4 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | -178.8 | 110.8 | 153.4 | -82.2 | -21.8 | 0 | 0 | 0 | 104.2 | ||||
| 251 | N | 35.4 | Very low | 38.4 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | 58.3 | 137.1 | 58.9 | -130.2 | 54.9 | 0 | 0 | 0 | 112.3 | |||||
| 252 | E | 37.5 | Very low | 38.1 | Very low | 132 Ų | 132 | 140 Ų | 140 | 62% | 0.617 | 74% | 0.741 | S | S | * | * | cis | -120.1 | -157.7 | 17.2 | -46.4 | -146 | 94.2 | 0 | 0 | 112.2 | ||||
| 253 | K | 40.1 | Very low | 38.4 | Very low | 161 Ų | 161 | 142 Ų | 142 | 70% | 0.7 | 75% | 0.745 | S | S | * | * | cis | -155.8 | 170.2 | 2.5 | -147.5 | 151.7 | -171.8 | 146 | 0 | 113.7 | ||||
| 254 | L | 37.8 | Very low | 38.4 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 72% | 0.723 | 74% | 0.739 | S | S | * | * | trans | -24 | 143.7 | 168.7 | -58.6 | 167 | 0 | 0 | 0 | 118.5 | ||||
| 255 | H | 41.1 | Very low | 38.3 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 80% | 0.801 | 73% | 0.732 | S | S | * | * | -158.5 | 159.9 | 65.8 | -150.9 | -84 | 0 | 0 | 0 | 115.2 | |||||
| 256 | D | 43.6 | Very low | 38.4 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | -65.4 | 163.1 | -179.3 | -47.7 | -99.6 | 0 | 0 | 0 | 115 | ||||
| 257 | G | 40.3 | Very low | 38.7 | Very low | 72 Ų | 72 | 140.1 Ų | 140.1 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | cis | 162.2 | 176.1 | -3.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 258 | N | 39.1 | Very low | 39 | Very low | 154 Ų | 154 | 137 Ų | 137 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | 84.7 | 120.8 | 156.7 | -153.9 | 27.1 | 0 | 0 | 0 | 122.9 | ||||
| 259 | S | 40.5 | Very low | 39.1 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | 47.9 | 158.4 | 143.6 | -67.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 260 | A | 38.6 | Very low | 39 | Very low | 62 Ų | 62 | 134.4 Ų | 134.4 | 51% | 0.512 | 75% | 0.748 | S | S | . | * | cis | -179.5 | 159.5 | -28.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 261 | Y | 37.1 | Very low | 39 | Very low | 231 Ų | 231 | 134.6 Ų | 134.6 | 91% | 0.906 | 75% | 0.749 | S | S | * | * | trans | 68.5 | 153.9 | 169.4 | -45.4 | -77.7 | 0 | 0 | 0 | 118.5 | ||||
| 262 | A | 38.8 | Very low | 39.2 | Very low | 71 Ų | 71 | 132.9 Ų | 132.9 | 59% | 0.587 | 75% | 0.753 | S | S | * | * | cis | -171.4 | 151 | -34 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 263 | H | 40.8 | Very low | 39.2 | Very low | 183 Ų | 183 | 132.1 Ų | 132.1 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | trans | 64.4 | 153.3 | 162.3 | -57 | -59.3 | 0 | 0 | 0 | 118.3 | ||||
| 264 | T | 38.3 | Very low | 39.3 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | cis | -160 | 153.8 | 1.6 | -115.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 265 | N | 36 | Very low | 39.1 | Very low | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -0.9 | 140 | 163.3 | -49.1 | -22.1 | 0 | 0 | 0 | 125.3 | ||||
| 266 | Q | 41 | Very low | 38.7 | Very low | 183 Ų | 183 | 127.5 Ų | 127.5 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | 170.4 | 125.1 | 114.9 | -91.9 | 165.4 | 96.5 | 0 | 0 | 110.3 | |||||
| 267 | S | 39.9 | Very low | 38.4 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | 91.8 | 118.7 | 63.3 | -67 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 268 | G | 40.3 | Very low | 38.3 | Very low | 83 Ų | 83 | 129.5 Ų | 129.5 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | 148.2 | 87 | 160.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 269 | N | 38.4 | Very low | 38.3 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | 12.4 | 131.1 | 155.5 | -77.7 | 0.6 | 0 | 0 | 0 | 126.1 | ||||
| 270 | L | 39.3 | Very low | 38.1 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | 35 | 129.7 | 117.4 | -49.5 | 172.4 | 0 | 0 | 0 | 118.9 | |||||
| 271 | N | 35.8 | Very low | 38 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | 178.4 | 176.6 | 53.7 | -164.8 | 7.5 | 0 | 0 | 0 | 110.5 | |||||
| 272 | A | 39 | Very low | 37.8 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 90 | 135.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 273 | S | 38.2 | Very low | 37.6 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -88.2 | -167.4 | -159.5 | -44.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 274 | P | 41.6 | Very low | 37.2 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | -121.2 | 167.1 | -95.5 | 37.5 | -21 | 0 | 0 | 0 | 113.5 | |||||
| 275 | V | 34.4 | Very low | 37.3 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 172.2 | 145.1 | 150 | 140.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 276 | V | 32.6 | Very low | 37.2 | Very low | 119 Ų | 119 | 134 Ų | 134 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | 57.4 | 118 | 165.7 | 169 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 277 | V | 36.3 | Very low | 37.3 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -136.8 | 117.8 | 133.9 | 178.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 278 | T | 37.8 | Very low | 37 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | trans | -82.1 | 128 | 166.5 | -67.3 | 0 | 0 | 0 | 0 | 109.1 | Q280 | T278-Q280 PolarHBondContact O-N 2.94Š| ||
| 279 | S | 38.8 | Very low | 36.8 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -82.7 | 107.6 | 165.2 | -66.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 280 | Q | 37.1 | Very low | 36.9 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -75 | 149.6 | 171.5 | -63.9 | 175.3 | -16.9 | 0 | 0 | 110.1 | T278 | T278-Q280 PolarHBondContact O-N 2.94Š| ||
| 281 | N | 35.8 | Very low | 36.9 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | -129.5 | 122.5 | 148.1 | -162 | 5.2 | 0 | 0 | 0 | 107.7 | ||||
| 282 | T | 34.3 | Very low | 36.7 | Very low | 80 Ų | 80 | 133.7 Ų | 133.7 | 49% | 0.491 | 77% | 0.772 | S | S | . | * | trans | -111.1 | 133.1 | -163.1 | -64.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 283 | F | 34.6 | Very low | 37.1 | Very low | 200 Ų | 200 | 139.3 Ų | 139.3 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -119.6 | 108 | 160.8 | -157.7 | -95 | 0 | 0 | 0 | 108.8 | ||||
| 284 | N | 32.6 | Very low | 36.8 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 66% | 0.658 | 77% | 0.774 | S | S | * | * | trans | -83.9 | 147.6 | -178.7 | -88.4 | -22.3 | 0 | 0 | 0 | 111.3 | ||||
| 285 | Q | 38.7 | Very low | 37 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | -140 | 126 | 149.7 | -161.7 | 169 | 92.7 | 0 | 0 | 108.5 | ||||
| 286 | S | 35.3 | Very low | 37.1 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -127.2 | 136.7 | -167.9 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 287 | V | 41.6 | Very low | 37.5 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | trans | -163.8 | 154 | 155.1 | -82.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 288 | N | 34.8 | Very low | 37.9 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | cis | -168.2 | 126.9 | -33 | 179 | -7.6 | 0 | 0 | 0 | 105 | ||||
| 289 | V | 36.8 | Very low | 38 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -116.4 | 134.6 | 179 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 290 | K | 39.9 | Very low | 38.3 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -112 | 156.1 | 178.2 | -76.7 | -174.1 | 177.7 | 179.2 | 0 | 112.4 | ||||
| 291 | P | 37.9 | Very low | 38.7 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -115.8 | 162.4 | -149.5 | 40.4 | -30.9 | 0 | 0 | 0 | 117.2 | ||||
| 292 | V | 33.6 | Very low | 39.1 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | 1.3 | 139.3 | 154.1 | -176.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 293 | K | 45.5 | Very low | 39.5 | Very low | 210 Ų | 210 | 140 Ų | 140 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | trans | -134.9 | 158.7 | 145.3 | -152.6 | 171.6 | -177.2 | -177.1 | 0 | 111.2 | ||||
| 294 | L | 33 | Very low | 39.8 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 71% | 0.707 | 77% | 0.772 | S | S | * | * | trans | -110 | 173.6 | -155.9 | -144.7 | 82.2 | 0 | 0 | 0 | 113.5 | ||||
| 295 | I | 44.6 | Very low | 40.1 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | 82.2 | 132.8 | 164.9 | -55.3 | 139.5 | 0 | 0 | 0 | 113.3 | ||||
| 296 | D | 38.2 | Very low | 40.4 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | cis | -151 | 153.2 | 28.3 | -163.7 | 41.7 | 0 | 0 | 0 | 113.4 | ||||
| 297 | P | 40.4 | Very low | 40.5 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -126.5 | 140.3 | 173.1 | 38.4 | -24.6 | 0 | 0 | 0 | 116.8 | ||||
| 298 | G | 45 | Very low | 40.3 | Very low | 78 Ų | 78 | 135.4 Ų | 135.4 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 170 | 153.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 299 | N | 40.3 | Very low | 40.5 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | cis | -165.2 | 158.8 | 8.6 | -179.7 | 26.6 | 0 | 0 | 0 | 109.2 | ||||
| 300 | V | 45.2 | Very low | 40.8 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | trans | 51.2 | 142.9 | 166.2 | -71.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 301 | S | 45.2 | Very low | 40.8 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | cis | -161.5 | 160.1 | -6.2 | -106.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 302 | P | 42.5 | Very low | 40.9 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | trans | -120.9 | 155.9 | -172.1 | 41.1 | -29.1 | 0 | 0 | 0 | 116.2 | ||||
| 303 | I | 43.1 | Very low | 41.2 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -155.2 | 159.2 | 158.6 | 12.2 | 178.6 | 0 | 0 | 0 | 110.1 | ||||
| 304 | P | 42.2 | Very low | 40.9 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | -136.1 | 173 | -117.6 | 38.6 | -18.4 | 0 | 0 | 0 | 117.7 | |||||
| 305 | Q | 38.1 | Very low | 41.4 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | 49.1 | 109.9 | 148 | -70.6 | 173.2 | -67.3 | 0 | 0 | 120.3 | ||||
| 306 | V | 45.1 | Very low | 41.2 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | -131.9 | 140.5 | 128.5 | -163.4 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 307 | D | 37 | Very low | 41.3 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -75.8 | 146.2 | -176.1 | -167.6 | 20.6 | 0 | 0 | 0 | 111.9 | ||||
| 308 | G | 38.7 | Very low | 41.5 | Very low | 68 Ų | 68 | 134.9 Ų | 134.9 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -179.6 | 88.8 | -170 | 0 | 0 | 0 | 0 | 0 | 112.1 | D310 | G308-D310 PolarHBondContact O-N 2.64Š| ||
| 309 | S | 38.7 | Very low | 41.5 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -83.4 | 100 | -178.3 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 310 | D | 42 | Very low | 41.7 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -135.1 | 124.7 | 161.9 | -85 | -55 | 0 | 0 | 0 | 110.3 | G308 | G308-D310 PolarHBondContact O-N 2.64Š| ||
| 311 | Q | 40.8 | Very low | 41.9 | Very low | 199 Ų | 199 | 136 Ų | 136 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | trans | -110.7 | 71.4 | -175.5 | -166.6 | 169 | 17 | 0 | 0 | 109.1 | G313 | Q311-G313 PolarHBondContact O-N 3.38Å; Q311-G313 VanDerWaalsContact O-N 3.11Å | ||
| 312 | E | 40.6 | Very low | 42.4 | Very low | 196 Ų | 196 | 134.3 Ų | 134.3 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | -69 | 106 | 177.8 | -74.3 | -164.5 | 111.1 | 0 | 0 | 111.5 | ||||
| 313 | G | 38.5 | Very low | 43.3 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | -87.6 | 135.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q311 | Q311-G313 PolarHBondContact O-N 3.38Å; Q311-G313 VanDerWaalsContact O-N 3.11Å | ||
| 314 | N | 38.9 | Very low | 45 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | trans | -147.5 | 64.1 | 165.2 | -164.9 | 3.1 | 0 | 0 | 0 | 110.6 | Q316 | N314-Q316 WeakPolarHBondContact OD1-CG 3.38Š| ||
| 315 | D | 43.6 | Very low | 47.1 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 85% | 0.845 | 72% | 0.718 | S | S | * | * | trans | -84.1 | 115.9 | 157.9 | -163.7 | 2.8 | 0 | 0 | 0 | 106.6 | S317 | D315-S317 PolarHBondContact O-N 3.18Š| ||
| 316 | Q | 40.5 | Very low | 49.7 | Very low | 162 Ų | 162 | 124.1 Ų | 124.1 | 76% | 0.757 | 70% | 0.704 | S | S | * | * | trans | -75.9 | 76.3 | -170.2 | -72.9 | -175.1 | -1.3 | 0 | 0 | 111.4 | N314 L318 | N314-Q316 WeakPolarHBondContact OD1-CG 3.38Å; Q316-L318 PolarHBondContact O-N 3.07Å | ||
| 317 | S | 40.9 | Very low | 52 | Low | 105 Ų | 105 | 117.2 Ų | 117.2 | 73% | 0.734 | 66% | 0.662 | S | S | * | * | trans | -58.5 | 119.6 | 167.7 | 57.9 | 0 | 0 | 0 | 0 | 110.1 | D315 | D315-S317 PolarHBondContact O-N 3.18Š| ||
| 318 | L | 44.4 | Very low | 54.8 | Low | 146 Ų | 146 | 116 Ų | 116 | 76% | 0.764 | 65% | 0.649 | S | S | * | * | trans | -45.6 | 130.3 | 169.2 | -66.3 | 149.7 | 0 | 0 | 0 | 109.7 | Q316 D320 M322 | Q316-L318 PolarHBondContact O-N 3.07Å; L318-D320 PolarHBondContact O-N 3.05Å; L318-M322 HydrophobicContact CB-CE 4.35Å | ||
| 319 | P | 44.8 | Very low | 57.5 | Low | 78 Ų | 78 | 115.2 Ų | 115.2 | 51% | 0.506 | 63% | 0.629 | S | S | . | * | trans | -64.3 | 122.3 | -172.5 | 23.3 | -32.5 | 0 | 0 | 0 | 111.1 | D321 M322 | P319-D321 PolarHBondContact O-N 2.93Å; P319-D321 VanDerWaalsContact O-N 3.1Å; P319-M322 HydrophobicContact CG-CE 4.09Å; P319-M322 PolarHBondContact O-N 3.4Å | ||
| 320 | D | 45.7 | Very low | 60.2 | Low | 134 Ų | 134 | 110.2 Ų | 110.2 | 72% | 0.717 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -67.5 | -6.8 | -179.7 | -154.9 | 15.8 | 0 | 0 | 0 | 112.3 | L318 M322 S323 | L318-D320 PolarHBondContact O-N 3.05Å; D320-M322 PolarHBondContact O-N 3.26Å; D320-M322 VanDerWaalsContact O-N 3.13Å; D320-S323 WeakPolarHBondContact O-CB 3.47Å; D320-S323 PolarHBondContact O-N 3.19Å; D320-S323 PolarHBondContact O-OG 3.24Å |
| 321 | D | 48.3 | Very low | 62.8 | Low | 149 Ų | 149 | 102.9 Ų | 102.9 | 80% | 0.797 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -59 | -17 | 166.9 | -70.4 | -37.6 | 0 | 0 | 0 | 113.7 | P319 S323 | P319-D321 PolarHBondContact O-N 2.93Å; P319-D321 VanDerWaalsContact O-N 3.1Å; D321-S323 PolarHBondContact O-N 2.84Å |
| 322 | M | 55.2 | Low | 65.5 | Low | 74 Ų | 74 | 99 Ų | 99 | 37% | 0.365 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -70.9 | -5.9 | 169.2 | -77.1 | -174.4 | -81.4 | 0 | 0 | 113.8 | L318 P319 D320 | L318-M322 HydrophobicContact CB-CE 4.35Å; P319-M322 HydrophobicContact CG-CE 4.09Å; P319-M322 PolarHBondContact O-N 3.4Å; D320-M322 PolarHBondContact O-N 3.26Å; D320-M322 VanDerWaalsContact O-N 3.13Å |
| 323 | S | 61.6 | Low | 68.2 | Low | 67 Ų | 67 | 96.1 Ų | 96.1 | 47% | 0.469 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -73.2 | -25.3 | -173.2 | 63.9 | 0 | 0 | 0 | 0 | 114.7 | D320 D321 W370 | D320-S323 WeakPolarHBondContact O-CB 3.47Å; D320-S323 PolarHBondContact O-N 3.19Å; D320-S323 PolarHBondContact O-OG 3.24Å; D321-S323 PolarHBondContact O-N 2.84Å; S323-W370 PolarHBondContact O-NE1 3.44Å |
| 324 | E | 79.8 | Confident | 71 | Confident | 163 Ų | 163 | 92.5 Ų | 92.5 | 76% | 0.762 | 48% | 0.48 | S | S | * | . | trans | -136.9 | 74.1 | -177.9 | -166.3 | 162.3 | -154.7 | 0 | 0 | 114.6 | N326 | E324-N326 PolarHBondContact O-N 3.04Š| ||
| 325 | L | 85.7 | Confident | 73.8 | Confident | 18 Ų | 18 | 88 Ų | 88 | 9% | 0.094 | 46% | 0.458 | C | S | . | . | trans | -74 | 121.5 | 170.5 | -70.1 | 179.6 | 0 | 0 | 0 | 112 | T327 L330 W370 W384 | L325-T327 PolarHBondContact O-N 2.74Å; L325-L330 HydrophobicContact CD1-CD2 4.46Å; L325-W370 HydrophobicContact CB-CD2 4.18Å; L325-W370 HydrophobicContact CB-CE3 3.98Å; L325-W370 HydrophobicContact CB-CH2 4.28Å; L325-W370 HydrophobicContact CB-CZ2 4.47Å; L325-W370 HydrophobicContact CB-CZ3 4.04Å; L325-W370 HydrophobicContact CD1-CH2 3.81Å; L325-W370 HydrophobicContact CD1-CZ2 4.49Å; L325-W370 HydrophobicContact CD1-CZ3 3.93Å; L325-W370 HydrophobicContact CG-CH2 4.25Å; L325-W370 HydrophobicContact CG-CZ2 4.49Å; L325-W370 HydrophobicContact CG-CZ3 4.41Å; L325-W370 VanDerWaalsContact O-CB 3.3Å; L325-W370 WeakPolarHBondContact O-CB 3.32Å; L325-W384 HydrophobicContact CD1-CB 4.1Å; L325-W384 HydrophobicContact CD1-CG 4.17Å; L325-W384 VanDerWaalsContact CD2-CD1 3.46Å; L325-W384 HydrophobicContact CD2-CD2 4.09Å; L325-W384 HydrophobicContact CD2-CG 3.81Å | ||
| 326 | N | 92.9 | Very high | 76.3 | Confident | 103 Ų | 103 | 83.1 Ų | 83.1 | 55% | 0.551 | 44% | 0.44 | S | S | * | . | trans | -68.6 | 100.7 | 168.7 | -174.4 | -25.9 | 0 | 0 | 0 | 110.7 | E324 K328 D329 L330 | E324-N326 PolarHBondContact O-N 3.04Å; N326-K328 VanDerWaalsContact C-N 3.3Å; N326-K328 PolarHBondContact O-N 3.24Å; N326-K328 PolarHBondContact OD1-N 3.02Å; N326-K328 VanDerWaalsContact OD1-N 3.08Å; N326-D329 HydrophobicContact CB-CB 4.2Å; N326-D329 PolarHBondContact OD1-N 3.34Å; N326-D329 VanDerWaalsContact OD1-N 3.15Å; N326-L330 VanDerWaalsContact O-CB 3.25Å; N326-L330 WeakPolarHBondContact O-CB 3.49Å; N326-L330 PolarHBondContact O-N 3.42Å | ||
| 327 | T | 94.6 | Very high | 79 | Confident | 5 Ų | 5 | 76.7 Ų | 76.7 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.2 | -24.5 | -176 | 51.1 | 0 | 0 | 0 | 0 | 114.1 | L325 A331 P367 K368 W370 L373 F380 | L325-T327 PolarHBondContact O-N 2.74Å; T327-A331 WeakPolarHBondContact O-CB 3.12Å; T327-A331 PolarHBondContact O-N 2.93Å; T327-A331 VanDerWaalsContact O-N 3.1Å; T327-P367 WeakPolarHBondContact O-CB 3.24Å; T327-K368 WeakPolarHBondContact CB-O 3.48Å; T327-K368 PolarHBondContact OG1-O 2.74Å; T327-W370 HydrophobicContact CG2-CB 4.06Å; T327-W370 HydrophobicContact CG2-CE3 3.84Å; T327-L373 HydrophobicContact CG2-CD1 3.82Å; T327-F380 HydrophobicContact CG2-CD1 3.98Å; T327-F380 HydrophobicContact CG2-CD2 4.23Å; T327-F380 HydrophobicContact CG2-CE1 4.1Å; T327-F380 HydrophobicContact CG2-CE2 4.34Å; T327-F380 HydrophobicContact CG2-CG 4.04Å; T327-F380 HydrophobicContact CG2-CZ 4.27Å |
| 328 | K | 93.8 | Very high | 81.6 | Confident | 135 Ų | 135 | 72.3 Ų | 72.3 | 59% | 0.587 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -74.9 | -50.9 | 178.6 | -174.5 | -179.5 | 178.1 | -176.3 | 0 | 110.5 | N326 A331 Q332 P367 | N326-K328 VanDerWaalsContact C-N 3.3Å; N326-K328 PolarHBondContact O-N 3.24Å; N326-K328 PolarHBondContact OD1-N 3.02Å; N326-K328 VanDerWaalsContact OD1-N 3.08Å; K328-A331 PolarHBondContact O-N 3.29Å; K328-Q332 WeakPolarHBondContact O-CG 3.41Å; K328-Q332 PolarHBondContact O-N 3.29Å; K328-P367 HydrophobicContact CB-CG 4.3Å; K328-P367 HydrophobicContact CG-CG 4.48Å |
| 329 | D | 95.5 | Very high | 84.1 | Confident | 53 Ų | 53 | 73.3 Ų | 73.3 | 28% | 0.283 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 175.3 | 173.4 | 40.8 | 0 | 0 | 0 | 111.3 | N326 A331 Q332 R333 | N326-D329 HydrophobicContact CB-CB 4.2Å; N326-D329 PolarHBondContact OD1-N 3.34Å; N326-D329 VanDerWaalsContact OD1-N 3.15Å; D329-A331 VanDerWaalsContact C-N 3.31Å; D329-A331 PolarHBondContact O-N 3.07Å; D329-Q332 WeakPolarHBondContact O-CA 3.4Å; D329-Q332 WeakPolarHBondContact O-CB 3.36Å; D329-Q332 PolarHBondContact O-N 3.17Å; D329-R333 VanDerWaalsContact CG-NE 3.29Å; D329-R333 WeakPolarHBondContact O-CG 3.31Å; D329-R333 PolarHBondContact O-N 3.02Å; D329-R333 IonicContact OD1-CZ 2.77Å; D329-R333 IonicContact OD1-NE 3.91Å; D329-R333 PolarHBondContact OD1-NE 3.23Å; D329-R333 IonicContact OD1-NH2 3.46Å; D329-R333 IonicContact OD2-CZ 3.88Å; D329-R333 IonicContact OD2-NE 3.2Å; D329-R333 PolarHBondContact OD2-NE 3Å; D329-R333 IonicContact OD2-NH2 3.09Å; D329-R333 PolarHBondContact OD2-NH2 3.41Å |
| 330 | L | 96.7 | Very high | 86.5 | Confident | 7 Ų | 7 | 78 Ų | 78 | 4% | 0.037 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.3 | -42.9 | 175.3 | 176.6 | 58 | 0 | 0 | 0 | 112.7 | L325 N326 Q332 R333 I334 F380 M383 W384 | L325-L330 HydrophobicContact CD1-CD2 4.46Å; N326-L330 VanDerWaalsContact O-CB 3.25Å; N326-L330 WeakPolarHBondContact O-CB 3.49Å; N326-L330 PolarHBondContact O-N 3.42Å; L330-Q332 VanDerWaalsContact C-N 3.33Å; L330-Q332 PolarHBondContact O-N 2.8Å; L330-R333 PolarHBondContact O-N 2.96Å; L330-I334 HydrophobicContact CD1-CG1 4.08Å; L330-I334 WeakPolarHBondContact O-CB 3.46Å; L330-I334 WeakPolarHBondContact O-CG1 3.33Å; L330-I334 PolarHBondContact O-N 2.9Å; L330-F380 HydrophobicContact CD2-CB 4.1Å; L330-F380 HydrophobicContact CD2-CD1 3.99Å; L330-M383 HydrophobicContact CD1-CB 4.36Å; L330-M383 HydrophobicContact CD2-CB 4.44Å; L330-M383 HydrophobicContact CG-CB 4.47Å; L330-W384 HydrophobicContact CD1-CB 4.07Å; L330-W384 HydrophobicContact CD2-CB 3.93Å |
| 331 | A | 96.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T327 K328 D329 S335 L364 P367 | T327-A331 WeakPolarHBondContact O-CB 3.12Å; T327-A331 PolarHBondContact O-N 2.93Å; T327-A331 VanDerWaalsContact O-N 3.1Å; K328-A331 PolarHBondContact O-N 3.29Å; D329-A331 VanDerWaalsContact C-N 3.31Å; D329-A331 PolarHBondContact O-N 3.07Å; A331-S335 VanDerWaalsContact O-CB 3.32Å; A331-S335 WeakPolarHBondContact O-CB 3.45Å; A331-S335 PolarHBondContact O-N 3.3Å; A331-S335 PolarHBondContact O-OG 3.11Å; A331-L364 HydrophobicContact CB-CD2 3.89Å; A331-P367 HydrophobicContact CB-CB 4.02Å; A331-P367 HydrophobicContact CB-CG 3.92Å |
| 332 | Q | 96.9 | Very high | 91.1 | Very high | 118 Ų | 118 | 72.2 Ų | 72.2 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.5 | -47.5 | 174.7 | -73.1 | 174.7 | -40 | 0 | 0 | 111.5 | K328 D329 L330 I334 S335 A336 | K328-Q332 WeakPolarHBondContact O-CG 3.41Å; K328-Q332 PolarHBondContact O-N 3.29Å; D329-Q332 WeakPolarHBondContact O-CA 3.4Å; D329-Q332 WeakPolarHBondContact O-CB 3.36Å; D329-Q332 PolarHBondContact O-N 3.17Å; L330-Q332 VanDerWaalsContact C-N 3.33Å; L330-Q332 PolarHBondContact O-N 2.8Å; Q332-I334 PolarHBondContact O-N 3.39Å; Q332-S335 CarbonylContact O-C 3.58Å; Q332-S335 WeakPolarHBondContact O-CB 3.2Å; Q332-S335 PolarHBondContact O-N 2.97Å; Q332-S335 VanDerWaalsContact O-N 3.11Å; Q332-A336 PolarHBondContact O-N 3.06Å |
| 333 | R | 97.1 | Very high | 92.9 | Very high | 134 Ų | 134 | 69.6 Ų | 69.6 | 51% | 0.506 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 176.8 | -64.4 | -178.1 | -166.5 | -156.6 | 8.2 | 112 | D329 L330 S335 A336 E337 L387 | D329-R333 VanDerWaalsContact CG-NE 3.29Å; D329-R333 WeakPolarHBondContact O-CG 3.31Å; D329-R333 PolarHBondContact O-N 3.02Å; D329-R333 IonicContact OD1-CZ 2.77Å; D329-R333 IonicContact OD1-NE 3.91Å; D329-R333 PolarHBondContact OD1-NE 3.23Å; D329-R333 IonicContact OD1-NH2 3.46Å; D329-R333 IonicContact OD2-CZ 3.88Å; D329-R333 IonicContact OD2-NE 3.2Å; D329-R333 PolarHBondContact OD2-NE 3Å; D329-R333 IonicContact OD2-NH2 3.09Å; D329-R333 PolarHBondContact OD2-NH2 3.41Å; L330-R333 PolarHBondContact O-N 2.96Å; R333-S335 VanDerWaalsContact C-N 3.33Å; R333-S335 PolarHBondContact O-N 3.47Å; R333-A336 PolarHBondContact O-N 3.5Å; R333-E337 WeakPolarHBondContact O-CB 3.27Å; R333-E337 PolarHBondContact O-N 2.74Å; R333-L387 HydrophobicContact CB-CD1 3.67Å |
| 334 | I | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 173.7 | -68 | -74.6 | 0 | 0 | 0 | 111.3 | L330 Q332 A336 E337 L338 F348 L364 M383 W386 L387 | L330-I334 HydrophobicContact CD1-CG1 4.08Å; L330-I334 WeakPolarHBondContact O-CB 3.46Å; L330-I334 WeakPolarHBondContact O-CG1 3.33Å; L330-I334 PolarHBondContact O-N 2.9Å; Q332-I334 PolarHBondContact O-N 3.39Å; I334-A336 VanDerWaalsContact C-N 3.32Å; I334-A336 PolarHBondContact O-N 3.23Å; I334-E337 PolarHBondContact O-N 3.04Å; I334-L338 HydrophobicContact CG2-CD1 3.9Å; I334-L338 HydrophobicContact CG2-CG 4.3Å; I334-L338 WeakPolarHBondContact O-CB 3.21Å; I334-L338 VanDerWaalsContact O-CG 3.23Å; I334-L338 WeakPolarHBondContact O-CG 3.13Å; I334-L338 PolarHBondContact O-N 3.48Å; I334-F348 HydrophobicContact CD1-CZ 4.12Å; I334-F348 HydrophobicContact CG2-CE1 3.92Å; I334-F348 HydrophobicContact CG2-CZ 4.44Å; I334-L364 HydrophobicContact CB-CD2 4.21Å; I334-L364 HydrophobicContact CG2-CD1 4.11Å; I334-L364 HydrophobicContact CG2-CD2 3.89Å; I334-M383 HydrophobicContact CD1-CB 3.82Å; I334-M383 HydrophobicContact CD1-CG 4.36Å; I334-M383 HydrophobicContact CG1-CB 3.94Å; I334-M383 HydrophobicContact CG1-CG 4.35Å; I334-W386 HydrophobicContact CD1-CE3 3.95Å; I334-W386 HydrophobicContact CD1-CZ3 4.21Å; I334-L387 HydrophobicContact CD1-CB 4.24Å; I334-L387 HydrophobicContact CD1-CD1 3.93Å; I334-L387 HydrophobicContact CG1-CD1 4.23Å |
| 335 | S | 97 | Very high | 95.3 | Very high | 37 Ų | 37 | 64.6 Ų | 64.6 | 26% | 0.259 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.5 | -34.8 | 178 | -60.3 | 0 | 0 | 0 | 0 | 112.8 | A331 Q332 R333 K339 | A331-S335 VanDerWaalsContact O-CB 3.32Å; A331-S335 WeakPolarHBondContact O-CB 3.45Å; A331-S335 PolarHBondContact O-N 3.3Å; A331-S335 PolarHBondContact O-OG 3.11Å; Q332-S335 CarbonylContact O-C 3.58Å; Q332-S335 WeakPolarHBondContact O-CB 3.2Å; Q332-S335 PolarHBondContact O-N 2.97Å; Q332-S335 VanDerWaalsContact O-N 3.11Å; R333-S335 VanDerWaalsContact C-N 3.33Å; R333-S335 PolarHBondContact O-N 3.47Å; S335-K339 VanDerWaalsContact O-CG 3.28Å; S335-K339 WeakPolarHBondContact O-CG 3.47Å; S335-K339 PolarHBondContact O-N 2.95Å |
| 336 | A | 97.2 | Very high | 95.7 | Very high | 56 Ų | 56 | 65.5 Ų | 65.5 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.8 | -45.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q332 R333 I334 K339 R340 | Q332-A336 PolarHBondContact O-N 3.06Å; R333-A336 PolarHBondContact O-N 3.5Å; I334-A336 VanDerWaalsContact C-N 3.32Å; I334-A336 PolarHBondContact O-N 3.23Å; A336-K339 WeakPolarHBondContact O-CB 3.24Å; A336-K339 PolarHBondContact O-N 2.87Å; A336-K339 VanDerWaalsContact O-N 3.15Å; A336-R340 WeakPolarHBondContact O-CB 3.25Å; A336-R340 PolarHBondContact O-N 3.3Å |
| 337 | E | 96.4 | Very high | 95.8 | Very high | 28 Ų | 28 | 63 Ų | 63 | 13% | 0.131 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.7 | -38.6 | -176.3 | -155.2 | 73.4 | 154.9 | 0 | 0 | 112.5 | R333 I334 K339 R340 Y341 W386 R394 | R333-E337 WeakPolarHBondContact O-CB 3.27Å; R333-E337 PolarHBondContact O-N 2.74Å; I334-E337 PolarHBondContact O-N 3.04Å; E337-K339 VanDerWaalsContact C-N 3.29Å; E337-K339 PolarHBondContact O-N 3.44Å; E337-R340 PolarHBondContact O-N 2.85Å; E337-R340 WeakPolarHBondContact OE2-CD 3.39Å; E337-R340 IonicContact OE2-NH1 3.16Å; E337-Y341 HydrophobicContact CG-CD2 4.08Å; E337-Y341 HydrophobicContact CG-CE2 3.89Å; E337-Y341 WeakPolarHBondContact O-CD2 3.5Å; E337-Y341 PolarHBondContact O-N 3.39Å; E337-Y341 WeakPolarHBondContact OE1-CE2 3.49Å; E337-W386 HydrophobicContact CB-CZ3 4.44Å; E337-W386 HydrophobicContact CG-CH2 4.3Å; E337-W386 HydrophobicContact CG-CZ3 4.25Å; E337-R394 IonicContact OE1-CZ 2.76Å; E337-R394 IonicContact OE1-NH1 3.24Å; E337-R394 PolarHBondContact OE1-NH1 2.05Å; E337-R394 IonicContact OE1-NH2 2.83Å; E337-R394 PolarHBondContact OE1-NH2 2.95Å |
| 338 | L | 96.3 | Very high | 95.9 | Very high | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -35.5 | 172.2 | -67.6 | 176.2 | 0 | 0 | 0 | 112.2 | I334 S342 I343 F348 L364 W386 | I334-L338 HydrophobicContact CG2-CD1 3.9Å; I334-L338 HydrophobicContact CG2-CG 4.3Å; I334-L338 WeakPolarHBondContact O-CB 3.21Å; I334-L338 VanDerWaalsContact O-CG 3.23Å; I334-L338 WeakPolarHBondContact O-CG 3.13Å; I334-L338 PolarHBondContact O-N 3.48Å; L338-S342 CarbonylContact O-C 3.34Å; L338-S342 PolarHBondContact O-N 3.06Å; L338-I343 HydrophobicContact CD2-CB 3.7Å; L338-I343 HydrophobicContact CD2-CD1 4.13Å; L338-I343 HydrophobicContact CD2-CG2 3.62Å; L338-I343 PolarHBondContact O-N 2.94Å; L338-F348 HydrophobicContact CD1-CB 4.37Å; L338-F348 HydrophobicContact CD1-CD1 3.95Å; L338-F348 HydrophobicContact CD1-CG 4.31Å; L338-F348 HydrophobicContact CD2-CB 3.6Å; L338-F348 HydrophobicContact CD2-CD1 4.16Å; L338-F348 HydrophobicContact CD2-CD2 4.11Å; L338-F348 HydrophobicContact CD2-CG 3.7Å; L338-L364 HydrophobicContact CD1-CD1 4.38Å; L338-W386 HydrophobicContact CD2-CH2 4.41Å |
| 339 | K | 95.6 | Very high | 96 | Very high | 167 Ų | 167 | 56.4 Ų | 56.4 | 73% | 0.726 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -70.6 | -43.8 | 173.2 | -73.5 | 174 | 178.7 | -174.4 | 0 | 111.8 | S335 A336 E337 Y341 S342 | S335-K339 VanDerWaalsContact O-CG 3.28Å; S335-K339 WeakPolarHBondContact O-CG 3.47Å; S335-K339 PolarHBondContact O-N 2.95Å; A336-K339 WeakPolarHBondContact O-CB 3.24Å; A336-K339 PolarHBondContact O-N 2.87Å; A336-K339 VanDerWaalsContact O-N 3.15Å; E337-K339 VanDerWaalsContact C-N 3.29Å; E337-K339 PolarHBondContact O-N 3.44Å; K339-Y341 VanDerWaalsContact C-N 3.33Å; K339-Y341 PolarHBondContact O-N 3.2Å; K339-S342 PolarHBondContact O-N 3.35Å; K339-S342 VanDerWaalsContact O-N 3.08Å |
| 340 | R | 96 | Very high | 95.9 | Very high | 177 Ų | 177 | 59 Ų | 59 | 67% | 0.668 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -56.4 | -43.8 | -176.7 | -176.8 | -177.6 | -177.9 | 176.7 | 0.8 | 112.8 | A336 E337 | A336-R340 WeakPolarHBondContact O-CB 3.25Å; A336-R340 PolarHBondContact O-N 3.3Å; E337-R340 PolarHBondContact O-N 2.85Å; E337-R340 WeakPolarHBondContact OE2-CD 3.39Å; E337-R340 IonicContact OE2-NH1 3.16Å |
| 341 | Y | 94.6 | Very high | 95.7 | Very high | 58 Ų | 58 | 62.6 Ų | 62.6 | 23% | 0.227 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 13 | 178.1 | -60 | -77.9 | 0 | 0 | 0 | 113.4 | E337 K339 I343 E391 R394 M395 | E337-Y341 HydrophobicContact CG-CD2 4.08Å; E337-Y341 HydrophobicContact CG-CE2 3.89Å; E337-Y341 WeakPolarHBondContact O-CD2 3.5Å; E337-Y341 PolarHBondContact O-N 3.39Å; E337-Y341 WeakPolarHBondContact OE1-CE2 3.49Å; K339-Y341 VanDerWaalsContact C-N 3.33Å; K339-Y341 PolarHBondContact O-N 3.2Å; Y341-I343 HydrophobicContact CD2-CD1 4.37Å; Y341-I343 HydrophobicContact CG-CD1 4.45Å; Y341-I343 PolarHBondContact O-N 3.32Å; Y341-I343 VanDerWaalsContact O-N 3.11Å; Y341-E391 HydrophobicContact CE1-CG 4.4Å; Y341-E391 WeakPolarHBondContact CE1-OE1 3.41Å; Y341-E391 PolarHBondContact OH-OE2 3.46Å; Y341-R394 PolarHBondContact OH-NH2 2.84Å; Y341-M395 HydrophobicContact CD1-CE 4.44Å |
| 342 | S | 94.6 | Very high | 95.6 | Very high | 104 Ų | 104 | 63.9 Ų | 63.9 | 73% | 0.727 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 33.4 | -177.5 | -63.1 | 0 | 0 | 0 | 0 | 114.5 | L338 K339 P344 | L338-S342 CarbonylContact O-C 3.34Å; L338-S342 PolarHBondContact O-N 3.06Å; K339-S342 PolarHBondContact O-N 3.35Å; K339-S342 VanDerWaalsContact O-N 3.08Å; S342-P344 VanDerWaalsContact O-CD 3.29Å; S342-P344 WeakPolarHBondContact O-CD 3.21Å |
| 343 | I | 94.3 | Very high | 95.4 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 9% | 0.092 | 30% | 0.295 | C | S | . | . | trans | -77.2 | 116.7 | -178.2 | -60.1 | 157.4 | 0 | 0 | 0 | 108.9 | L338 Y341 Q345 F348 W386 L398 | L338-I343 HydrophobicContact CD2-CB 3.7Å; L338-I343 HydrophobicContact CD2-CD1 4.13Å; L338-I343 HydrophobicContact CD2-CG2 3.62Å; L338-I343 PolarHBondContact O-N 2.94Å; Y341-I343 HydrophobicContact CD2-CD1 4.37Å; Y341-I343 HydrophobicContact CG-CD1 4.45Å; Y341-I343 PolarHBondContact O-N 3.32Å; Y341-I343 VanDerWaalsContact O-N 3.11Å; I343-Q345 PolarHBondContact O-N 2.89Å; I343-F348 HydrophobicContact CG2-CB 4.25Å; I343-W386 HydrophobicContact CD1-CH2 3.97Å; I343-W386 HydrophobicContact CD1-CZ2 4.08Å; I343-L398 HydrophobicContact CD1-CD1 3.71Å; I343-L398 HydrophobicContact CG1-CD1 3.95Å; I343-L398 HydrophobicContact CG2-CD1 4.05Å; I343-L398 HydrophobicContact CG2-CD2 4Å | ||
| 344 | P | 95.1 | Very high | 95.2 | Very high | 79 Ų | 79 | 54.6 Ų | 54.6 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | trans | -64.2 | 133.3 | 179.7 | -20.4 | 32.9 | 0 | 0 | 0 | 111 | S342 A346 V347 F348 | S342-P344 VanDerWaalsContact O-CD 3.29Å; S342-P344 WeakPolarHBondContact O-CD 3.21Å; P344-A346 PolarHBondContact O-N 3.47Å; P344-V347 HydrophobicContact CB-CG2 4.12Å; P344-V347 HydrophobicContact CG-CG2 4.18Å; P344-V347 WeakPolarHBondContact O-CB 3.49Å; P344-V347 PolarHBondContact O-N 3.36Å; P344-F348 PolarHBondContact O-N 3.11Å | ||
| 345 | Q | 95.5 | Very high | 95 | Very high | 47 Ų | 47 | 60 Ų | 60 | 22% | 0.22 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -52.1 | -33 | -178.6 | -171.6 | 176.2 | 45.7 | 0 | 0 | 112.9 | I343 A349 Q357 L360 S361 | I343-Q345 PolarHBondContact O-N 2.89Å; Q345-A349 WeakPolarHBondContact O-CB 3.05Å; Q345-A349 PolarHBondContact O-N 2.91Å; Q345-Q357 HydrophobicContact CB-CG 4.3Å; Q345-Q357 HydrophobicContact CG-CG 4.27Å; Q345-L360 HydrophobicContact CG-CB 4.23Å; Q345-L360 HydrophobicContact CG-CD2 3.46Å; Q345-L360 VanDerWaalsContact CG-CD2 3.46Å; Q345-L360 HydrophobicContact CG-CG 3.83Å; Q345-S361 PolarHBondContact OE1-OG 2.9Å |
| 346 | A | 95.5 | Very high | 95 | Very high | 36 Ų | 36 | 61.3 Ų | 61.3 | 30% | 0.298 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P344 Q350 Q357 | P344-A346 PolarHBondContact O-N 3.47Å; A346-Q350 WeakPolarHBondContact O-CB 3.46Å; A346-Q350 WeakPolarHBondContact O-CG 3.47Å; A346-Q350 PolarHBondContact O-N 3.22Å; A346-Q357 HydrophobicContact CB-CB 3.95Å; A346-Q357 HydrophobicContact CB-CG 4.06Å |
| 347 | V | 94.4 | Very high | 94.8 | Very high | 52 Ų | 52 | 62.7 Ų | 62.7 | 32% | 0.315 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.6 | -52.7 | 177.9 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | P344 A349 Q350 R351 L398 | P344-V347 HydrophobicContact CB-CG2 4.12Å; P344-V347 HydrophobicContact CG-CG2 4.18Å; P344-V347 WeakPolarHBondContact O-CB 3.49Å; P344-V347 PolarHBondContact O-N 3.36Å; V347-A349 PolarHBondContact O-N 2.96Å; V347-Q350 PolarHBondContact O-N 3.23Å; V347-R351 HydrophobicContact CG1-CG 3.86Å; V347-R351 VanDerWaalsContact O-CB 3.27Å; V347-R351 WeakPolarHBondContact O-CB 3.38Å; V347-R351 WeakPolarHBondContact O-CG 3.3Å; V347-R351 PolarHBondContact O-N 2.78Å; V347-L398 HydrophobicContact CG1-CD2 4.19Å |
| 348 | F | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 179 | -179.3 | -107.5 | 0 | 0 | 0 | 112.8 | I334 L338 I343 P344 Q350 V352 L353 L360 M383 W386 L398 | I334-F348 HydrophobicContact CD1-CZ 4.12Å; I334-F348 HydrophobicContact CG2-CE1 3.92Å; I334-F348 HydrophobicContact CG2-CZ 4.44Å; L338-F348 HydrophobicContact CD1-CB 4.37Å; L338-F348 HydrophobicContact CD1-CD1 3.95Å; L338-F348 HydrophobicContact CD1-CG 4.31Å; L338-F348 HydrophobicContact CD2-CB 3.6Å; L338-F348 HydrophobicContact CD2-CD1 4.16Å; L338-F348 HydrophobicContact CD2-CD2 4.11Å; L338-F348 HydrophobicContact CD2-CG 3.7Å; I343-F348 HydrophobicContact CG2-CB 4.25Å; P344-F348 PolarHBondContact O-N 3.11Å; F348-Q350 VanDerWaalsContact C-N 3.34Å; F348-Q350 PolarHBondContact O-N 3.42Å; F348-V352 HydrophobicContact CD2-CB 3.77Å; F348-V352 HydrophobicContact CD2-CG1 4.38Å; F348-V352 HydrophobicContact CD2-CG2 3.51Å; F348-V352 HydrophobicContact CE2-CB 3.56Å; F348-V352 HydrophobicContact CE2-CG1 3.67Å; F348-V352 HydrophobicContact CE2-CG2 3.58Å; F348-V352 HydrophobicContact CZ-CB 4.23Å; F348-V352 HydrophobicContact CZ-CG1 4.11Å; F348-V352 PolarHBondContact O-N 3.1Å; F348-L353 HydrophobicContact CD1-CD1 4.23Å; F348-L353 HydrophobicContact CE1-CD1 3.79Å; F348-L353 HydrophobicContact CE1-CG 4.15Å; F348-L353 HydrophobicContact CZ-CD1 4.49Å; F348-L353 HydrophobicContact CZ-CD2 4.45Å; F348-L353 HydrophobicContact CZ-CG 4.44Å; F348-L360 HydrophobicContact CD1-CD2 3.6Å; F348-L360 HydrophobicContact CE1-CD2 4.32Å; F348-M383 HydrophobicContact CE1-CG 4.24Å; F348-M383 HydrophobicContact CZ-CG 4.29Å; F348-W386 HydrophobicContact CD2-CD2 4.2Å; F348-W386 HydrophobicContact CD2-CE3 4.39Å; F348-W386 HydrophobicContact CD2-CZ2 4.32Å; F348-W386 HydrophobicContact CE2-CB 4.34Å; F348-W386 AromaticContact CE2-CD2 3.41Å; F348-W386 HydrophobicContact CE2-CD2 3.41Å; F348-W386 VanDerWaalsContact CE2-CD2 3.41Å; F348-W386 AromaticContact CE2-CE2 3.82Å; F348-W386 AromaticContact CE2-CE3 3.54Å; F348-W386 HydrophobicContact CE2-CE3 3.54Å; F348-W386 AromaticContact CE2-CG 3.77Å; F348-W386 HydrophobicContact CE2-CG 3.77Å; F348-W386 HydrophobicContact CE2-CH2 4.41Å; F348-W386 HydrophobicContact CE2-CZ2 4.31Å; F348-W386 HydrophobicContact CE2-CZ3 4.05Å; F348-W386 HydrophobicContact CZ-CD2 4.22Å; F348-W386 HydrophobicContact CZ-CE3 4Å; F348-L398 HydrophobicContact CB-CD2 4.38Å; F348-L398 HydrophobicContact CD2-CD2 4.24Å |
| 349 | A | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q345 V347 L353 C354 R355 L360 | Q345-A349 WeakPolarHBondContact O-CB 3.05Å; Q345-A349 PolarHBondContact O-N 2.91Å; V347-A349 PolarHBondContact O-N 2.96Å; A349-L353 CarbonylContact O-C 3.54Å; A349-C354 PolarHBondContact O-N 3.23Å; A349-C354 VanDerWaalsContact O-N 3.11Å; A349-R355 CarbonylContact C-O 3.52Å; A349-R355 PolarHBondContact O-N 3.08Å; A349-L360 HydrophobicContact CB-CB 3.85Å; A349-L360 HydrophobicContact CB-CD2 3.74Å; A349-L360 HydrophobicContact CB-CG 4.44Å |
| 350 | Q | 94.6 | Very high | 94.7 | Very high | 108 Ų | 108 | 57.5 Ų | 57.5 | 51% | 0.505 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71.6 | -56.4 | 179 | -70.6 | 173.5 | 19.4 | 0 | 0 | 110.5 | A346 V347 F348 C354 C403 | A346-Q350 WeakPolarHBondContact O-CB 3.46Å; A346-Q350 WeakPolarHBondContact O-CG 3.47Å; A346-Q350 PolarHBondContact O-N 3.22Å; V347-Q350 PolarHBondContact O-N 3.23Å; F348-Q350 VanDerWaalsContact C-N 3.34Å; F348-Q350 PolarHBondContact O-N 3.42Å; Q350-C354 VanDerWaalsContact O-CA 3.29Å; Q350-C354 WeakPolarHBondContact O-CA 3.47Å; Q350-C354 PolarHBondContact O-N 3.36Å; Q350-C354 VanDerWaalsContact O-N 3.13Å; Q350-C403 PolarHBondContact O-SG 3.1Å |
| 351 | R | 92.4 | Very high | 94.7 | Very high | 83 Ų | 83 | 50 Ų | 50 | 31% | 0.313 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.5 | -50.9 | -168.3 | -58.5 | -61.6 | 178.6 | 102.2 | -14.3 | 112.8 | V347 L398 R399 A401 | V347-R351 HydrophobicContact CG1-CG 3.86Å; V347-R351 VanDerWaalsContact O-CB 3.27Å; V347-R351 WeakPolarHBondContact O-CB 3.38Å; V347-R351 WeakPolarHBondContact O-CG 3.3Å; V347-R351 PolarHBondContact O-N 2.78Å; R351-L398 WeakPolarHBondContact CG-O 3.34Å; R351-L398 PolarHBondContact NH1-O 3.31Å; R351-R399 PolarHBondContact NH1-O 3.11Å; R351-A401 HydrophobicContact CB-CB 4.07Å; R351-A401 WeakPolarHBondContact CD-O 3.45Å; R351-A401 WeakPolarHBondContact O-CB 3.35Å |
| 352 | V | 93.8 | Very high | 94.7 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 16% | 0.164 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -35.2 | -173 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | F348 W386 A397 L398 | F348-V352 HydrophobicContact CD2-CB 3.77Å; F348-V352 HydrophobicContact CD2-CG1 4.38Å; F348-V352 HydrophobicContact CD2-CG2 3.51Å; F348-V352 HydrophobicContact CE2-CB 3.56Å; F348-V352 HydrophobicContact CE2-CG1 3.67Å; F348-V352 HydrophobicContact CE2-CG2 3.58Å; F348-V352 HydrophobicContact CZ-CB 4.23Å; F348-V352 HydrophobicContact CZ-CG1 4.11Å; F348-V352 PolarHBondContact O-N 3.1Å; V352-W386 HydrophobicContact CG1-CB 3.84Å; V352-W386 HydrophobicContact CG1-CG 3.98Å; V352-W386 HydrophobicContact CG2-CG 4.31Å; V352-A397 HydrophobicContact CG2-CB 4.5Å; V352-L398 HydrophobicContact CG2-CD2 4.2Å |
| 353 | L | 93.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -16.3 | -171.5 | -52.5 | 178.5 | 0 | 0 | 0 | 114.2 | F348 A349 R355 L360 T379 R382 M383 | F348-L353 HydrophobicContact CD1-CD1 4.23Å; F348-L353 HydrophobicContact CE1-CD1 3.79Å; F348-L353 HydrophobicContact CE1-CG 4.15Å; F348-L353 HydrophobicContact CZ-CD1 4.49Å; F348-L353 HydrophobicContact CZ-CD2 4.45Å; F348-L353 HydrophobicContact CZ-CG 4.44Å; A349-L353 CarbonylContact O-C 3.54Å; L353-R355 VanDerWaalsContact C-N 3.32Å; L353-R355 HydrophobicContact CB-CB 4.29Å; L353-R355 HydrophobicContact CB-CG 4.02Å; L353-R355 PolarHBondContact O-N 3.44Å; L353-L360 HydrophobicContact CD1-CD1 3.74Å; L353-L360 HydrophobicContact CD1-CD2 4.41Å; L353-T379 HydrophobicContact CD1-CG2 4.25Å; L353-T379 HydrophobicContact CD2-CG2 4.44Å; L353-R382 HydrophobicContact CD2-CB 3.62Å; L353-M383 HydrophobicContact CD1-CE 3.57Å; L353-M383 HydrophobicContact CD1-CG 4.23Å; L353-M383 HydrophobicContact CD2-CG 3.98Å |
| 354 | C | 93 | Very high | 94.7 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | trans | 45 | 55.4 | -165.1 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | A349 Q350 C403 | A349-C354 PolarHBondContact O-N 3.23Å; A349-C354 VanDerWaalsContact O-N 3.11Å; Q350-C354 VanDerWaalsContact O-CA 3.29Å; Q350-C354 WeakPolarHBondContact O-CA 3.47Å; Q350-C354 PolarHBondContact O-N 3.36Å; Q350-C354 VanDerWaalsContact O-N 3.13Å; C354-C403 VanDerWaalsContact CA-SG 3.54Å; C354-C403 HydrophobicContact CB-CB 4.22Å; C354-C403 WeakPolarHBondContact CB-SG 3.45Å; C354-C403 WeakPolarHBondContact SG-CB 3.43Å; C354-C403 CovalentContact SG-SG 2.05Å; C354-C403 PolarHBondContact SG-SG 2.98Å | ||
| 355 | R | 93.8 | Very high | 94.6 | Very high | 113 Ų | 113 | 52.6 Ų | 52.6 | 43% | 0.426 | 27% | 0.274 | S | S | . | . | trans | -129.8 | 167.1 | 177.1 | -64.5 | -63 | 174.4 | -111.4 | 9 | 111.2 | A349 L353 T359 T379 | A349-R355 CarbonylContact C-O 3.52Å; A349-R355 PolarHBondContact O-N 3.08Å; L353-R355 VanDerWaalsContact C-N 3.32Å; L353-R355 HydrophobicContact CB-CB 4.29Å; L353-R355 HydrophobicContact CB-CG 4.02Å; L353-R355 PolarHBondContact O-N 3.44Å; R355-T359 HydrophobicContact CB-CG2 4.42Å; R355-T379 HydrophobicContact CG-CG2 4.48Å | ||
| 356 | S | 95.7 | Very high | 94.3 | Very high | 66 Ų | 66 | 55.2 Ų | 55.2 | 46% | 0.462 | 29% | 0.289 | S | S | . | . | trans | -76.8 | 153.6 | 171.7 | 83.9 | 0 | 0 | 0 | 0 | 111.1 | G358 T359 L360 | S356-G358 VanDerWaalsContact C-N 3.28Å; S356-G358 PolarHBondContact O-N 2.88Å; S356-T359 WeakPolarHBondContact O-CB 3.41Å; S356-T359 PolarHBondContact O-N 3.33Å; S356-T359 VanDerWaalsContact O-N 3.16Å; S356-T359 PolarHBondContact OG-N 3.03Å; S356-T359 VanDerWaalsContact OG-N 3.08Å; S356-T359 PolarHBondContact OG-OG1 2.92Å; S356-L360 PolarHBondContact O-N 3.13Å; S356-L360 VanDerWaalsContact O-N 3.15Å | ||
| 357 | Q | 94.2 | Very high | 94.2 | Very high | 85 Ų | 85 | 54.8 Ų | 54.8 | 40% | 0.397 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55.6 | -43.4 | 173.8 | 178.4 | -82.4 | -26.2 | 0 | 0 | 111.6 | Q345 A346 T359 L360 S361 | Q345-Q357 HydrophobicContact CB-CG 4.3Å; Q345-Q357 HydrophobicContact CG-CG 4.27Å; A346-Q357 HydrophobicContact CB-CB 3.95Å; A346-Q357 HydrophobicContact CB-CG 4.06Å; Q357-T359 VanDerWaalsContact C-N 3.32Å; Q357-T359 PolarHBondContact O-N 3.49Å; Q357-L360 PolarHBondContact O-N 2.79Å; Q357-L360 VanDerWaalsContact O-N 3.15Å; Q357-S361 PolarHBondContact O-N 3.44Å |
| 358 | G | 94.6 | Very high | 94.1 | Very high | 38 Ų | 38 | 55.9 Ų | 55.9 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.3 | -36.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | S356 S361 D362 | S356-G358 VanDerWaalsContact C-N 3.28Å; S356-G358 PolarHBondContact O-N 2.88Å; G358-S361 PolarHBondContact O-N 2.85Å; G358-D362 PolarHBondContact O-N 3.32Å |
| 359 | T | 94.7 | Very high | 93.9 | Very high | 59 Ų | 59 | 57.2 Ų | 57.2 | 36% | 0.362 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 173 | -50.9 | 0 | 0 | 0 | 0 | 111 | R355 S356 Q357 S361 D362 L363 | R355-T359 HydrophobicContact CB-CG2 4.42Å; S356-T359 WeakPolarHBondContact O-CB 3.41Å; S356-T359 PolarHBondContact O-N 3.33Å; S356-T359 VanDerWaalsContact O-N 3.16Å; S356-T359 PolarHBondContact OG-N 3.03Å; S356-T359 VanDerWaalsContact OG-N 3.08Å; S356-T359 PolarHBondContact OG-OG1 2.92Å; Q357-T359 VanDerWaalsContact C-N 3.32Å; Q357-T359 PolarHBondContact O-N 3.49Å; T359-S361 VanDerWaalsContact C-N 3.32Å; T359-S361 PolarHBondContact O-N 2.81Å; T359-D362 PolarHBondContact O-N 2.84Å; T359-L363 HydrophobicContact CG2-CD1 4.22Å; T359-L363 VanDerWaalsContact O-CG 3.29Å; T359-L363 WeakPolarHBondContact O-CG 3.34Å; T359-L363 PolarHBondContact O-N 2.77Å; T359-L363 VanDerWaalsContact O-N 3.12Å |
| 360 | L | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 177.4 | -178.4 | 59.4 | 0 | 0 | 0 | 112 | Q345 F348 A349 L353 S356 Q357 L363 L364 M383 | Q345-L360 HydrophobicContact CG-CB 4.23Å; Q345-L360 HydrophobicContact CG-CD2 3.46Å; Q345-L360 VanDerWaalsContact CG-CD2 3.46Å; Q345-L360 HydrophobicContact CG-CG 3.83Å; F348-L360 HydrophobicContact CD1-CD2 3.6Å; F348-L360 HydrophobicContact CE1-CD2 4.32Å; A349-L360 HydrophobicContact CB-CB 3.85Å; A349-L360 HydrophobicContact CB-CD2 3.74Å; A349-L360 HydrophobicContact CB-CG 4.44Å; L353-L360 HydrophobicContact CD1-CD1 3.74Å; L353-L360 HydrophobicContact CD1-CD2 4.41Å; S356-L360 PolarHBondContact O-N 3.13Å; S356-L360 VanDerWaalsContact O-N 3.15Å; Q357-L360 PolarHBondContact O-N 2.79Å; Q357-L360 VanDerWaalsContact O-N 3.15Å; L360-L363 PolarHBondContact O-N 3.04Å; L360-L364 HydrophobicContact CD1-CD1 3.9Å; L360-L364 HydrophobicContact CD1-CD2 4.15Å; L360-L364 HydrophobicContact CD1-CG 3.75Å; L360-L364 HydrophobicContact CD2-CD1 4.5Å; L360-L364 HydrophobicContact CG-CD1 3.98Å; L360-L364 HydrophobicContact CG-CG 4.2Å; L360-L364 WeakPolarHBondContact O-CG 3.48Å; L360-L364 PolarHBondContact O-N 3.37Å; L360-M383 HydrophobicContact CD1-CE 3.32Å |
| 361 | S | 96.5 | Very high | 93.4 | Very high | 19 Ų | 19 | 56.8 Ų | 56.8 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 176 | -130 | 0 | 0 | 0 | 0 | 112.9 | Q345 Q357 G358 T359 R365 | Q345-S361 PolarHBondContact OE1-OG 2.9Å; Q357-S361 PolarHBondContact O-N 3.44Å; G358-S361 PolarHBondContact O-N 2.85Å; T359-S361 VanDerWaalsContact C-N 3.32Å; T359-S361 PolarHBondContact O-N 2.81Å; S361-R365 WeakPolarHBondContact O-CB 3.39Å; S361-R365 WeakPolarHBondContact O-CD 3.38Å; S361-R365 VanDerWaalsContact O-CG 3.24Å; S361-R365 WeakPolarHBondContact O-CG 3.36Å; S361-R365 PolarHBondContact O-N 3.16Å |
| 362 | D | 93.3 | Very high | 93.3 | Very high | 65 Ų | 65 | 58.5 Ų | 58.5 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 174 | -151.1 | 57.7 | 0 | 0 | 0 | 110.4 | G358 T359 N366 R472 | G358-D362 PolarHBondContact O-N 3.32Å; T359-D362 PolarHBondContact O-N 2.84Å; D362-N366 PolarHBondContact O-N 2.96Å; D362-R472 IonicContact OD2-CZ 2.98Å; D362-R472 IonicContact OD2-NH1 2.72Å; D362-R472 PolarHBondContact OD2-NH1 3.08Å; D362-R472 IonicContact OD2-NH2 3.18Å; D362-R472 PolarHBondContact OD2-NH2 3.44Å |
| 363 | L | 94.8 | Very high | 93.1 | Very high | 40 Ų | 40 | 58 Ų | 58 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.8 | -42.4 | -179.6 | -73.1 | 171.1 | 0 | 0 | 0 | 114.2 | T359 L360 P367 T379 F380 M383 | T359-L363 HydrophobicContact CG2-CD1 4.22Å; T359-L363 VanDerWaalsContact O-CG 3.29Å; T359-L363 WeakPolarHBondContact O-CG 3.34Å; T359-L363 PolarHBondContact O-N 2.77Å; T359-L363 VanDerWaalsContact O-N 3.12Å; L360-L363 PolarHBondContact O-N 3.04Å; L363-P367 VanDerWaalsContact O-CA 3.32Å; L363-P367 WeakPolarHBondContact O-CA 3.27Å; L363-P367 WeakPolarHBondContact O-CB 3.44Å; L363-T379 HydrophobicContact CD1-CG2 3.82Å; L363-F380 HydrophobicContact CD2-CE2 4Å; L363-F380 HydrophobicContact CD2-CZ 4.2Å; L363-M383 HydrophobicContact CD1-CE 4.35Å |
| 364 | L | 95.4 | Very high | 92.7 | Very high | 21 Ų | 21 | 67.3 Ų | 67.3 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -79.5 | -27 | -177.6 | -64.2 | -177.8 | 0 | 0 | 0 | 113.2 | A331 I334 L338 L360 M383 | A331-L364 HydrophobicContact CB-CD2 3.89Å; I334-L364 HydrophobicContact CB-CD2 4.21Å; I334-L364 HydrophobicContact CG2-CD1 4.11Å; I334-L364 HydrophobicContact CG2-CD2 3.89Å; L338-L364 HydrophobicContact CD1-CD1 4.38Å; L360-L364 HydrophobicContact CD1-CD1 3.9Å; L360-L364 HydrophobicContact CD1-CD2 4.15Å; L360-L364 HydrophobicContact CD1-CG 3.75Å; L360-L364 HydrophobicContact CD2-CD1 4.5Å; L360-L364 HydrophobicContact CG-CD1 3.98Å; L360-L364 HydrophobicContact CG-CG 4.2Å; L360-L364 WeakPolarHBondContact O-CG 3.48Å; L360-L364 PolarHBondContact O-N 3.37Å; L364-M383 HydrophobicContact CD2-CE 4.28Å; L364-M383 HydrophobicContact CD2-SD 4.37Å |
| 365 | R | 92.5 | Very high | 92.4 | Very high | 189 Ų | 189 | 70.2 Ų | 70.2 | 71% | 0.713 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -80.8 | -41.6 | -179.7 | -70.7 | 173.7 | -178.8 | -88 | 3.5 | 112.9 | S361 | S361-R365 WeakPolarHBondContact O-CB 3.39Å; S361-R365 WeakPolarHBondContact O-CD 3.38Å; S361-R365 VanDerWaalsContact O-CG 3.24Å; S361-R365 WeakPolarHBondContact O-CG 3.36Å; S361-R365 PolarHBondContact O-N 3.16Å |
| 366 | N | 90 | Very high | 92.2 | Very high | 101 Ų | 101 | 66 Ų | 66 | 54% | 0.54 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -132.4 | 65.7 | -178.6 | -64.8 | -71.8 | 0 | 0 | 0 | 110.1 | D362 K368 | D362-N366 PolarHBondContact O-N 2.96Å; N366-K368 PolarHBondContact O-N 2.86Å |
| 367 | P | 92.7 | Very high | 92.1 | Very high | 27 Ų | 27 | 66.6 Ų | 66.6 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 124.2 | 179.6 | 25.5 | -33.3 | 0 | 0 | 0 | 110.1 | T327 K328 A331 L363 F380 | T327-P367 WeakPolarHBondContact O-CB 3.24Å; K328-P367 HydrophobicContact CB-CG 4.3Å; K328-P367 HydrophobicContact CG-CG 4.48Å; A331-P367 HydrophobicContact CB-CB 4.02Å; A331-P367 HydrophobicContact CB-CG 3.92Å; L363-P367 VanDerWaalsContact O-CA 3.32Å; L363-P367 WeakPolarHBondContact O-CA 3.27Å; L363-P367 WeakPolarHBondContact O-CB 3.44Å; P367-F380 HydrophobicContact CB-CE1 4.27Å; P367-F380 HydrophobicContact CB-CZ 4.09Å |
| 368 | K | 91.2 | Very high | 92.1 | Very high | 76 Ų | 76 | 65.8 Ų | 65.8 | 33% | 0.33 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 143.2 | 172.1 | -73 | -177.5 | 51.7 | 178.2 | 0 | 110.4 | T327 N366 K372 L373 W478 | T327-K368 WeakPolarHBondContact CB-O 3.48Å; T327-K368 PolarHBondContact OG1-O 2.74Å; N366-K368 PolarHBondContact O-N 2.86Å; K368-K372 VanDerWaalsContact CE-O 3.22Å; K368-K372 WeakPolarHBondContact CE-O 3.4Å; K368-K372 PolarHBondContact NZ-O 3.1Å; K368-L373 HydrophobicContact CB-CD2 3.83Å; K368-L373 HydrophobicContact CB-CG 4.36Å; K368-L373 HydrophobicContact CD-CD2 4.28Å; K368-W478 HydrophobicContact CD-CZ2 3.94Å; K368-W478 VanDerWaalsContact CE-CZ2 3.46Å; K368-W478 HydrophobicContact CG-CZ2 4.06Å |
| 369 | P | 91.6 | Very high | 92.1 | Very high | 27 Ų | 27 | 64.6 Ų | 64.6 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 144.9 | 174.2 | 25.4 | -33.7 | 0 | 0 | 0 | 111.1 | S371 K372 L373 W478 | P369-S371 PolarHBondContact O-N 3Å; P369-K372 HydrophobicContact CG-CB 4.22Å; P369-K372 HydrophobicContact CG-CG 3.89Å; P369-K372 PolarHBondContact O-N 3.46Å; P369-L373 PolarHBondContact O-N 2.88Å; P369-W478 HydrophobicContact CG-CB 4.3Å; P369-W478 HydrophobicContact CG-CD2 4.16Å; P369-W478 HydrophobicContact CG-CE3 3.68Å; P369-W478 HydrophobicContact CG-CG 4.44Å; P369-W478 HydrophobicContact CG-CZ3 4.48Å |
| 370 | W | 92.4 | Very high | 92.1 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 7% | 0.072 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -57.3 | -42.6 | -170.8 | -179.6 | -108.4 | 0 | 0 | 0 | 114 | S323 L325 T327 K372 L373 R377 F380 R381 | S323-W370 PolarHBondContact O-NE1 3.44Å; L325-W370 HydrophobicContact CB-CD2 4.18Å; L325-W370 HydrophobicContact CB-CE3 3.98Å; L325-W370 HydrophobicContact CB-CH2 4.28Å; L325-W370 HydrophobicContact CB-CZ2 4.47Å; L325-W370 HydrophobicContact CB-CZ3 4.04Å; L325-W370 HydrophobicContact CD1-CH2 3.81Å; L325-W370 HydrophobicContact CD1-CZ2 4.49Å; L325-W370 HydrophobicContact CD1-CZ3 3.93Å; L325-W370 HydrophobicContact CG-CH2 4.25Å; L325-W370 HydrophobicContact CG-CZ2 4.49Å; L325-W370 HydrophobicContact CG-CZ3 4.41Å; L325-W370 VanDerWaalsContact O-CB 3.3Å; L325-W370 WeakPolarHBondContact O-CB 3.32Å; T327-W370 HydrophobicContact CG2-CB 4.06Å; T327-W370 HydrophobicContact CG2-CE3 3.84Å; W370-K372 PolarHBondContact O-N 3.42Å; W370-K372 VanDerWaalsContact O-N 3.08Å; W370-L373 HydrophobicContact CE3-CD1 4.04Å; W370-L373 WeakPolarHBondContact O-CB 3.46Å; W370-L373 PolarHBondContact O-N 3.46Å; W370-R377 HydrophobicContact CD2-CG 4.39Å; W370-R377 HydrophobicContact CE3-CG 4.14Å; W370-R377 HydrophobicContact CH2-CB 3.76Å; W370-R377 HydrophobicContact CH2-CG 4.02Å; W370-R377 HydrophobicContact CZ2-CB 4.38Å; W370-R377 HydrophobicContact CZ2-CG 4.26Å; W370-R377 HydrophobicContact CZ3-CB 3.82Å; W370-R377 HydrophobicContact CZ3-CG 3.94Å; W370-F380 HydrophobicContact CZ3-CB 4.11Å; W370-R381 HydrophobicContact CH2-CG 4.13Å |
| 371 | S | 89.6 | Confident | 92 | Very high | 80 Ų | 80 | 66.2 Ų | 66.2 | 56% | 0.559 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -53.4 | -29.9 | 174.7 | 58.2 | 0 | 0 | 0 | 0 | 113.2 | P369 | P369-S371 PolarHBondContact O-N 3Š|
| 372 | K | 88.8 | Confident | 91.9 | Very high | 120 Ų | 120 | 69.8 Ų | 69.8 | 52% | 0.522 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -101.1 | 8 | -176.5 | -50.1 | -78.2 | -169.3 | 177.6 | 0 | 113 | K368 P369 W370 W478 | K368-K372 VanDerWaalsContact CE-O 3.22Å; K368-K372 WeakPolarHBondContact CE-O 3.4Å; K368-K372 PolarHBondContact NZ-O 3.1Å; P369-K372 HydrophobicContact CG-CB 4.22Å; P369-K372 HydrophobicContact CG-CG 3.89Å; P369-K372 PolarHBondContact O-N 3.46Å; W370-K372 PolarHBondContact O-N 3.42Å; W370-K372 VanDerWaalsContact O-N 3.08Å; K372-W478 HydrophobicContact CB-CE3 4.15Å; K372-W478 HydrophobicContact CB-CH2 3.86Å; K372-W478 HydrophobicContact CB-CZ3 3.44Å; K372-W478 VanDerWaalsContact CB-CZ3 3.44Å; K372-W478 HydrophobicContact CD-CZ3 3.81Å; K372-W478 HydrophobicContact CG-CE3 3.9Å; K372-W478 HydrophobicContact CG-CH2 4.26Å; K372-W478 HydrophobicContact CG-CZ3 3.37Å |
| 373 | L | 90.2 | Very high | 92.1 | Very high | 15 Ų | 15 | 66.7 Ų | 66.7 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | trans | -93 | 129.3 | 169.6 | -67.6 | 178.1 | 0 | 0 | 0 | 110.7 | T327 K368 P369 W370 R377 F380 | T327-L373 HydrophobicContact CG2-CD1 3.82Å; K368-L373 HydrophobicContact CB-CD2 3.83Å; K368-L373 HydrophobicContact CB-CG 4.36Å; K368-L373 HydrophobicContact CD-CD2 4.28Å; P369-L373 PolarHBondContact O-N 2.88Å; W370-L373 HydrophobicContact CE3-CD1 4.04Å; W370-L373 WeakPolarHBondContact O-CB 3.46Å; W370-L373 PolarHBondContact O-N 3.46Å; L373-R377 HydrophobicContact CB-CG 3.61Å; L373-R377 HydrophobicContact CD1-CG 4.47Å; L373-R377 PolarHBondContact O-NE 3.25Å; L373-F380 HydrophobicContact CD1-CD2 3.51Å; L373-F380 HydrophobicContact CD1-CE2 3.66Å; L373-F380 HydrophobicContact CD1-CG 4.44Å; L373-F380 HydrophobicContact CD2-CE2 4.41Å | ||
| 374 | K | 85.2 | Confident | 92.1 | Very high | 198 Ų | 198 | 69.1 Ų | 69.1 | 86% | 0.861 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -102.7 | -91.2 | 170 | -164.2 | 178 | 179.2 | 80.9 | 0 | 109.7 | G376 | K374-G376 VanDerWaalsContact C-N 3.28Å; K374-G376 PolarHBondContact O-N 2.73Å |
| 375 | S | 86.3 | Confident | 92.1 | Very high | 116 Ų | 116 | 72 Ų | 72 | 81% | 0.811 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20.3 | 176.3 | 52.3 | 0 | 0 | 0 | 0 | 114.8 | R377 | S375-R377 VanDerWaalsContact C-N 3.35Å; S375-R377 PolarHBondContact O-N 3.03Å |
| 376 | G | 89.4 | Confident | 92.2 | Very high | 24 Ų | 24 | 63.3 Ų | 63.3 | 25% | 0.247 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -17 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | K374 E378 T379 | K374-G376 VanDerWaalsContact C-N 3.28Å; K374-G376 PolarHBondContact O-N 2.73Å; G376-E378 VanDerWaalsContact C-N 3.27Å; G376-E378 PolarHBondContact O-N 2.95Å; G376-T379 PolarHBondContact O-N 2.96Å; G376-T379 VanDerWaalsContact O-N 3.08Å |
| 377 | R | 94.1 | Very high | 92.5 | Very high | 79 Ų | 79 | 60 Ų | 60 | 30% | 0.298 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55.3 | -41.8 | -175.6 | -68.3 | -172.3 | -174.5 | -162.1 | -2.7 | 112.4 | W370 L373 S375 T379 F380 R381 | W370-R377 HydrophobicContact CD2-CG 4.39Å; W370-R377 HydrophobicContact CE3-CG 4.14Å; W370-R377 HydrophobicContact CH2-CB 3.76Å; W370-R377 HydrophobicContact CH2-CG 4.02Å; W370-R377 HydrophobicContact CZ2-CB 4.38Å; W370-R377 HydrophobicContact CZ2-CG 4.26Å; W370-R377 HydrophobicContact CZ3-CB 3.82Å; W370-R377 HydrophobicContact CZ3-CG 3.94Å; L373-R377 HydrophobicContact CB-CG 3.61Å; L373-R377 HydrophobicContact CD1-CG 4.47Å; L373-R377 PolarHBondContact O-NE 3.25Å; S375-R377 VanDerWaalsContact C-N 3.35Å; S375-R377 PolarHBondContact O-N 3.03Å; R377-T379 PolarHBondContact O-N 3.46Å; R377-F380 PolarHBondContact O-N 2.71Å; R377-R381 PolarHBondContact O-N 3.33Å |
| 378 | E | 93.5 | Very high | 92.6 | Very high | 68 Ų | 68 | 63 Ų | 63 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.7 | -31.7 | -179.9 | 177.1 | 55.7 | -164.8 | 0 | 0 | 113.8 | G376 R381 R382 | G376-E378 VanDerWaalsContact C-N 3.27Å; G376-E378 PolarHBondContact O-N 2.95Å; E378-R381 PolarHBondContact O-N 3.22Å; E378-R381 IonicContact OE2-CZ 3.58Å; E378-R381 IonicContact OE2-NH1 2.64Å; E378-R381 PolarHBondContact OE2-NH1 2.68Å; E378-R382 WeakPolarHBondContact O-CG 3.26Å; E378-R382 PolarHBondContact O-N 3.18Å; E378-R382 IonicContact OE1-CZ 2.76Å; E378-R382 VanDerWaalsContact OE1-CZ 3.24Å; E378-R382 IonicContact OE1-NE 3.44Å; E378-R382 PolarHBondContact OE1-NE 3.12Å; E378-R382 IonicContact OE1-NH2 3.75Å; E378-R382 PolarHBondContact OE1-NH2 3.33Å |
| 379 | T | 94.8 | Very high | 92.7 | Very high | 14 Ų | 14 | 61.9 Ų | 61.9 | 9% | 0.086 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.7 | -34.1 | 177.5 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | L353 R355 L363 G376 R377 M383 | L353-T379 HydrophobicContact CD1-CG2 4.25Å; L353-T379 HydrophobicContact CD2-CG2 4.44Å; R355-T379 HydrophobicContact CG-CG2 4.48Å; L363-T379 HydrophobicContact CD1-CG2 3.82Å; G376-T379 PolarHBondContact O-N 2.96Å; G376-T379 VanDerWaalsContact O-N 3.08Å; R377-T379 PolarHBondContact O-N 3.46Å; T379-M383 HydrophobicContact CG2-CE 4.26Å; T379-M383 WeakPolarHBondContact O-CG 3.22Å; T379-M383 PolarHBondContact O-N 2.67Å |
| 380 | F | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -75.4 | -35.6 | 172.8 | -75.4 | -84.1 | 0 | 0 | 0 | 112.4 | T327 L330 L363 P367 W370 L373 R377 R382 M383 W384 | T327-F380 HydrophobicContact CG2-CD1 3.98Å; T327-F380 HydrophobicContact CG2-CD2 4.23Å; T327-F380 HydrophobicContact CG2-CE1 4.1Å; T327-F380 HydrophobicContact CG2-CE2 4.34Å; T327-F380 HydrophobicContact CG2-CG 4.04Å; T327-F380 HydrophobicContact CG2-CZ 4.27Å; L330-F380 HydrophobicContact CD2-CB 4.1Å; L330-F380 HydrophobicContact CD2-CD1 3.99Å; L363-F380 HydrophobicContact CD2-CE2 4Å; L363-F380 HydrophobicContact CD2-CZ 4.2Å; P367-F380 HydrophobicContact CB-CE1 4.27Å; P367-F380 HydrophobicContact CB-CZ 4.09Å; W370-F380 HydrophobicContact CZ3-CB 4.11Å; L373-F380 HydrophobicContact CD1-CD2 3.51Å; L373-F380 HydrophobicContact CD1-CE2 3.66Å; L373-F380 HydrophobicContact CD1-CG 4.44Å; L373-F380 HydrophobicContact CD2-CE2 4.41Å; R377-F380 PolarHBondContact O-N 2.71Å; F380-R382 VanDerWaalsContact C-N 3.32Å; F380-R382 PolarHBondContact O-N 3.28Å; F380-M383 HydrophobicContact CD1-SD 3.89Å; F380-M383 HydrophobicContact CE1-SD 4.27Å; F380-M383 WeakPolarHBondContact O-CB 3.39Å; F380-M383 PolarHBondContact O-N 2.92Å; F380-M383 VanDerWaalsContact O-N 3.15Å; F380-W384 PolarHBondContact O-N 3.47Å |
| 381 | R | 94.7 | Very high | 92.8 | Very high | 93 Ų | 93 | 67.2 Ų | 67.2 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.6 | -44.6 | 172.4 | -65.4 | -170.2 | -155.3 | 113.6 | -7 | 112 | W370 R377 E378 M383 W384 N385 | W370-R381 HydrophobicContact CH2-CG 4.13Å; R377-R381 PolarHBondContact O-N 3.33Å; E378-R381 PolarHBondContact O-N 3.22Å; E378-R381 IonicContact OE2-CZ 3.58Å; E378-R381 IonicContact OE2-NH1 2.64Å; E378-R381 PolarHBondContact OE2-NH1 2.68Å; R381-M383 VanDerWaalsContact C-N 3.3Å; R381-M383 PolarHBondContact O-N 3.3Å; R381-W384 PolarHBondContact O-N 2.93Å; R381-W384 VanDerWaalsContact O-N 3.15Å; R381-N385 WeakPolarHBondContact O-CB 3.46Å; R381-N385 VanDerWaalsContact O-CG 3.22Å; R381-N385 PolarHBondContact O-N 3.23Å; R381-N385 PolarHBondContact O-OD1 3.45Å; R381-N385 VanDerWaalsContact O-OD1 3.14Å |
| 382 | R | 94.7 | Very high | 92.9 | Very high | 93 Ų | 93 | 71.7 Ų | 71.7 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.8 | -35.6 | 176.3 | -68.5 | 174.8 | -163.5 | -163.4 | -4.4 | 113.2 | L353 E378 F380 W386 | L353-R382 HydrophobicContact CD2-CB 3.62Å; E378-R382 WeakPolarHBondContact O-CG 3.26Å; E378-R382 PolarHBondContact O-N 3.18Å; E378-R382 IonicContact OE1-CZ 2.76Å; E378-R382 VanDerWaalsContact OE1-CZ 3.24Å; E378-R382 IonicContact OE1-NE 3.44Å; E378-R382 PolarHBondContact OE1-NE 3.12Å; E378-R382 IonicContact OE1-NH2 3.75Å; E378-R382 PolarHBondContact OE1-NH2 3.33Å; F380-R382 VanDerWaalsContact C-N 3.32Å; F380-R382 PolarHBondContact O-N 3.28Å; R382-W386 WeakPolarHBondContact O-CB 3.37Å; R382-W386 PolarHBondContact O-N 3.26Å |
| 383 | M | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.1 | -48.3 | 171.4 | -69 | 172.2 | -176.4 | 0 | 0 | 111.3 | L330 I334 F348 L353 L360 L363 L364 T379 F380 R381 W386 L387 | L330-M383 HydrophobicContact CD1-CB 4.36Å; L330-M383 HydrophobicContact CD2-CB 4.44Å; L330-M383 HydrophobicContact CG-CB 4.47Å; I334-M383 HydrophobicContact CD1-CB 3.82Å; I334-M383 HydrophobicContact CD1-CG 4.36Å; I334-M383 HydrophobicContact CG1-CB 3.94Å; I334-M383 HydrophobicContact CG1-CG 4.35Å; F348-M383 HydrophobicContact CE1-CG 4.24Å; F348-M383 HydrophobicContact CZ-CG 4.29Å; L353-M383 HydrophobicContact CD1-CE 3.57Å; L353-M383 HydrophobicContact CD1-CG 4.23Å; L353-M383 HydrophobicContact CD2-CG 3.98Å; L360-M383 HydrophobicContact CD1-CE 3.32Å; L363-M383 HydrophobicContact CD1-CE 4.35Å; L364-M383 HydrophobicContact CD2-CE 4.28Å; L364-M383 HydrophobicContact CD2-SD 4.37Å; T379-M383 HydrophobicContact CG2-CE 4.26Å; T379-M383 WeakPolarHBondContact O-CG 3.22Å; T379-M383 PolarHBondContact O-N 2.67Å; F380-M383 HydrophobicContact CD1-SD 3.89Å; F380-M383 HydrophobicContact CE1-SD 4.27Å; F380-M383 WeakPolarHBondContact O-CB 3.39Å; F380-M383 PolarHBondContact O-N 2.92Å; F380-M383 VanDerWaalsContact O-N 3.15Å; R381-M383 VanDerWaalsContact C-N 3.3Å; R381-M383 PolarHBondContact O-N 3.3Å; M383-W386 PolarHBondContact O-N 2.76Å; M383-L387 WeakPolarHBondContact O-CB 3.3Å; M383-L387 PolarHBondContact O-N 3.17Å |
| 384 | W | 95.5 | Very high | 93.3 | Very high | 92 Ų | 92 | 69.8 Ų | 69.8 | 35% | 0.348 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | -179 | -175.5 | 86.6 | 0 | 0 | 0 | 112 | L325 L330 F380 R381 W386 L387 N388 | L325-W384 HydrophobicContact CD1-CB 4.1Å; L325-W384 HydrophobicContact CD1-CG 4.17Å; L325-W384 VanDerWaalsContact CD2-CD1 3.46Å; L325-W384 HydrophobicContact CD2-CD2 4.09Å; L325-W384 HydrophobicContact CD2-CG 3.81Å; L330-W384 HydrophobicContact CD1-CB 4.07Å; L330-W384 HydrophobicContact CD2-CB 3.93Å; F380-W384 PolarHBondContact O-N 3.47Å; R381-W384 PolarHBondContact O-N 2.93Å; R381-W384 VanDerWaalsContact O-N 3.15Å; W384-W386 PolarHBondContact O-N 3.25Å; W384-L387 PolarHBondContact O-N 3.02Å; W384-L387 VanDerWaalsContact O-N 3.12Å; W384-N388 VanDerWaalsContact CD2-ND2 3.3Å; W384-N388 WeakPolarHBondContact CH2-ND2 3.28Å; W384-N388 WeakPolarHBondContact CZ2-ND2 3.31Å; W384-N388 PolarHBondContact O-N 3.2Å; W384-N388 PolarHBondContact O-ND2 3.37Å |
| 385 | N | 94.5 | Very high | 93.6 | Very high | 82 Ų | 82 | 63.1 Ų | 63.1 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -54.1 | -54.7 | 172.8 | -69 | 8.9 | 0 | 0 | 0 | 110.5 | R381 L387 N388 E389 | R381-N385 WeakPolarHBondContact O-CB 3.46Å; R381-N385 VanDerWaalsContact O-CG 3.22Å; R381-N385 PolarHBondContact O-N 3.23Å; R381-N385 PolarHBondContact O-OD1 3.45Å; R381-N385 VanDerWaalsContact O-OD1 3.14Å; N385-L387 PolarHBondContact O-N 3.37Å; N385-N388 PolarHBondContact O-N 3.12Å; N385-N388 VanDerWaalsContact O-N 3.13Å; N385-E389 WeakPolarHBondContact O-CG 3.32Å; N385-E389 PolarHBondContact O-N 3.08Å |
| 386 | W | 95.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 59.7 Ų | 59.7 | 2% | 0.019 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -30.6 | 178.6 | -179.6 | 83.2 | 0 | 0 | 0 | 112.9 | I334 E337 L338 I343 F348 V352 R382 M383 W384 R394 L398 | I334-W386 HydrophobicContact CD1-CE3 3.95Å; I334-W386 HydrophobicContact CD1-CZ3 4.21Å; E337-W386 HydrophobicContact CB-CZ3 4.44Å; E337-W386 HydrophobicContact CG-CH2 4.3Å; E337-W386 HydrophobicContact CG-CZ3 4.25Å; L338-W386 HydrophobicContact CD2-CH2 4.41Å; I343-W386 HydrophobicContact CD1-CH2 3.97Å; I343-W386 HydrophobicContact CD1-CZ2 4.08Å; F348-W386 HydrophobicContact CD2-CD2 4.2Å; F348-W386 HydrophobicContact CD2-CE3 4.39Å; F348-W386 HydrophobicContact CD2-CZ2 4.32Å; F348-W386 HydrophobicContact CE2-CB 4.34Å; F348-W386 AromaticContact CE2-CD2 3.41Å; F348-W386 HydrophobicContact CE2-CD2 3.41Å; F348-W386 VanDerWaalsContact CE2-CD2 3.41Å; F348-W386 AromaticContact CE2-CE2 3.82Å; F348-W386 AromaticContact CE2-CE3 3.54Å; F348-W386 HydrophobicContact CE2-CE3 3.54Å; F348-W386 AromaticContact CE2-CG 3.77Å; F348-W386 HydrophobicContact CE2-CG 3.77Å; F348-W386 HydrophobicContact CE2-CH2 4.41Å; F348-W386 HydrophobicContact CE2-CZ2 4.31Å; F348-W386 HydrophobicContact CE2-CZ3 4.05Å; F348-W386 HydrophobicContact CZ-CD2 4.22Å; F348-W386 HydrophobicContact CZ-CE3 4Å; V352-W386 HydrophobicContact CG1-CB 3.84Å; V352-W386 HydrophobicContact CG1-CG 3.98Å; V352-W386 HydrophobicContact CG2-CG 4.31Å; R382-W386 WeakPolarHBondContact O-CB 3.37Å; R382-W386 PolarHBondContact O-N 3.26Å; M383-W386 PolarHBondContact O-N 2.76Å; W384-W386 PolarHBondContact O-N 3.25Å; W386-R394 HydrophobicContact CD2-CG 4.44Å; W386-R394 HydrophobicContact CZ2-CB 3.96Å; W386-R394 PolarHBondContact NE1-O 2.83Å; W386-R394 VanDerWaalsContact NE1-O 3.13Å; W386-R394 WeakPolarHBondContact O-CD 3.05Å; W386-R394 WeakPolarHBondContact O-CG 2.96Å; W386-L398 HydrophobicContact CZ2-CD1 4.27Å |
| 387 | L | 95.5 | Very high | 93.8 | Very high | 31 Ų | 31 | 59.7 Ų | 59.7 | 16% | 0.162 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71 | -33.7 | 177.3 | -168 | 129.5 | 0 | 0 | 0 | 112.3 | R333 I334 M383 W384 N385 | R333-L387 HydrophobicContact CB-CD1 3.67Å; I334-L387 HydrophobicContact CD1-CB 4.24Å; I334-L387 HydrophobicContact CD1-CD1 3.93Å; I334-L387 HydrophobicContact CG1-CD1 4.23Å; M383-L387 WeakPolarHBondContact O-CB 3.3Å; M383-L387 PolarHBondContact O-N 3.17Å; W384-L387 PolarHBondContact O-N 3.02Å; W384-L387 VanDerWaalsContact O-N 3.12Å; N385-L387 PolarHBondContact O-N 3.37Å |
| 388 | N | 94.4 | Very high | 93.6 | Very high | 91 Ų | 91 | 56.7 Ų | 56.7 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -87.1 | -13.8 | 179.1 | -65.7 | -22.1 | 0 | 0 | 0 | 114 | W384 N385 | W384-N388 VanDerWaalsContact CD2-ND2 3.3Å; W384-N388 WeakPolarHBondContact CH2-ND2 3.28Å; W384-N388 WeakPolarHBondContact CZ2-ND2 3.31Å; W384-N388 PolarHBondContact O-N 3.2Å; W384-N388 PolarHBondContact O-ND2 3.37Å; N385-N388 PolarHBondContact O-N 3.12Å; N385-N388 VanDerWaalsContact O-N 3.13Å |
| 389 | E | 93.6 | Very high | 93.2 | Very high | 52 Ų | 52 | 62.3 Ų | 62.3 | 24% | 0.243 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -60.9 | 144.1 | 171.1 | -80 | 178.7 | 155.6 | 0 | 0 | 110.9 | N385 Q393 R394 | N385-E389 WeakPolarHBondContact O-CG 3.32Å; N385-E389 PolarHBondContact O-N 3.08Å; E389-Q393 HydrophobicContact CB-CB 4.32Å; E389-Q393 HydrophobicContact CB-CG 4.22Å; E389-Q393 VanDerWaalsContact CD-NE2 3.31Å; E389-Q393 HydrophobicContact CG-CG 4.06Å; E389-Q393 PolarHBondContact OE1-NE2 3.08Å; E389-R394 HydrophobicContact CB-CG 3.62Å; E389-R394 WeakPolarHBondContact O-CD 3.14Å; E389-R394 VanDerWaalsContact O-CG 3.26Å; E389-R394 WeakPolarHBondContact O-CG 3.4Å |
| 390 | P | 93.8 | Very high | 91.7 | Very high | 56 Ų | 56 | 68 Ų | 68 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | trans | -64.7 | 151.2 | 175.1 | 28.6 | -35.1 | 0 | 0 | 0 | 110.9 | Y392 Q393 R394 | P390-Y392 VanDerWaalsContact C-N 3.28Å; P390-Y392 HydrophobicContact CB-CD1 3.95Å; P390-Y392 HydrophobicContact CB-CE1 3.52Å; P390-Y392 HydrophobicContact CG-CD1 4.2Å; P390-Y392 HydrophobicContact CG-CE1 3.53Å; P390-Y392 HydrophobicContact CG-CE2 4.2Å; P390-Y392 PolarHBondContact O-N 3.44Å; P390-Y392 VanDerWaalsContact O-N 3.08Å; P390-Q393 HydrophobicContact CG-CB 3.98Å; P390-Q393 WeakPolarHBondContact O-CA 3.29Å; P390-Q393 WeakPolarHBondContact O-CB 3.39Å; P390-Q393 PolarHBondContact O-N 3.16Å; P390-R394 PolarHBondContact O-N 3.04Å | ||
| 391 | E | 92.5 | Very high | 89.9 | Confident | 102 Ų | 102 | 69.5 Ų | 69.5 | 48% | 0.477 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -52.6 | -40.8 | -168.4 | -173 | 174.8 | 143.3 | 0 | 0 | 114.4 | Y341 Q393 R394 M395 | Y341-E391 HydrophobicContact CE1-CG 4.4Å; Y341-E391 WeakPolarHBondContact CE1-OE1 3.41Å; Y341-E391 PolarHBondContact OH-OE2 3.46Å; E391-Q393 VanDerWaalsContact C-N 3.29Å; E391-Q393 PolarHBondContact O-N 3.36Å; E391-R394 PolarHBondContact O-N 3.29Å; E391-M395 WeakPolarHBondContact O-CB 3.44Å; E391-M395 PolarHBondContact O-N 3.5Å |
| 392 | Y | 92.5 | Very high | 87.6 | Confident | 175 Ų | 175 | 70.4 Ų | 70.4 | 69% | 0.686 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.5 | -35 | 178.1 | 67.1 | -96.5 | 0 | 0 | 0 | 112.9 | P390 S396 | P390-Y392 VanDerWaalsContact C-N 3.28Å; P390-Y392 HydrophobicContact CB-CD1 3.95Å; P390-Y392 HydrophobicContact CB-CE1 3.52Å; P390-Y392 HydrophobicContact CG-CD1 4.2Å; P390-Y392 HydrophobicContact CG-CE1 3.53Å; P390-Y392 HydrophobicContact CG-CE2 4.2Å; P390-Y392 PolarHBondContact O-N 3.44Å; P390-Y392 VanDerWaalsContact O-N 3.08Å; Y392-S396 WeakPolarHBondContact O-CB 3.29Å; Y392-S396 PolarHBondContact O-N 3.15Å |
| 393 | Q | 93 | Very high | 85.4 | Confident | 72 Ų | 72 | 68.3 Ų | 68.3 | 34% | 0.336 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -76.5 | -41 | 177.4 | -177.8 | 169.7 | -23.8 | 0 | 0 | 110.9 | E389 P390 E391 M395 S396 A397 | E389-Q393 HydrophobicContact CB-CB 4.32Å; E389-Q393 HydrophobicContact CB-CG 4.22Å; E389-Q393 VanDerWaalsContact CD-NE2 3.31Å; E389-Q393 HydrophobicContact CG-CG 4.06Å; E389-Q393 PolarHBondContact OE1-NE2 3.08Å; P390-Q393 HydrophobicContact CG-CB 3.98Å; P390-Q393 WeakPolarHBondContact O-CA 3.29Å; P390-Q393 WeakPolarHBondContact O-CB 3.39Å; P390-Q393 PolarHBondContact O-N 3.16Å; E391-Q393 VanDerWaalsContact C-N 3.29Å; E391-Q393 PolarHBondContact O-N 3.36Å; Q393-M395 PolarHBondContact O-N 3.15Å; Q393-S396 PolarHBondContact O-N 3.4Å; Q393-S396 VanDerWaalsContact O-N 3.1Å; Q393-S396 PolarHBondContact O-OG 3.13Å; Q393-A397 PolarHBondContact O-N 3.22Å |
| 394 | R | 93.4 | Very high | 82.9 | Confident | 23 Ų | 23 | 78.1 Ų | 78.1 | 9% | 0.087 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.1 | -42.1 | 172.6 | -62.1 | -167.5 | -58.2 | 172.2 | 7.3 | 111.9 | E337 Y341 W386 E389 P390 E391 L398 | E337-R394 IonicContact OE1-CZ 2.76Å; E337-R394 IonicContact OE1-NH1 3.24Å; E337-R394 PolarHBondContact OE1-NH1 2.05Å; E337-R394 IonicContact OE1-NH2 2.83Å; E337-R394 PolarHBondContact OE1-NH2 2.95Å; Y341-R394 PolarHBondContact OH-NH2 2.84Å; W386-R394 HydrophobicContact CD2-CG 4.44Å; W386-R394 HydrophobicContact CZ2-CB 3.96Å; W386-R394 PolarHBondContact NE1-O 2.83Å; W386-R394 VanDerWaalsContact NE1-O 3.13Å; W386-R394 WeakPolarHBondContact O-CD 3.05Å; W386-R394 WeakPolarHBondContact O-CG 2.96Å; E389-R394 HydrophobicContact CB-CG 3.62Å; E389-R394 WeakPolarHBondContact O-CD 3.14Å; E389-R394 VanDerWaalsContact O-CG 3.26Å; E389-R394 WeakPolarHBondContact O-CG 3.4Å; P390-R394 PolarHBondContact O-N 3.04Å; E391-R394 PolarHBondContact O-N 3.29Å; R394-L398 WeakPolarHBondContact O-CG 3.25Å; R394-L398 PolarHBondContact O-N 3.37Å |
| 395 | M | 92 | Very high | 80.6 | Confident | 57 Ų | 57 | 83.5 Ų | 83.5 | 28% | 0.281 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -73.5 | -32.7 | 177.9 | -158 | 63.1 | 66.4 | 0 | 0 | 112.6 | Y341 E391 Q393 L398 R399 | Y341-M395 HydrophobicContact CD1-CE 4.44Å; E391-M395 WeakPolarHBondContact O-CB 3.44Å; E391-M395 PolarHBondContact O-N 3.5Å; Q393-M395 PolarHBondContact O-N 3.15Å; M395-L398 HydrophobicContact SD-CD1 4.22Å; M395-R399 WeakPolarHBondContact O-CG 3.12Å; M395-R399 PolarHBondContact O-N 3.13Å |
| 396 | S | 90.5 | Very high | 78 | Confident | 45 Ų | 45 | 86.3 Ų | 86.3 | 32% | 0.315 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.5 | -40 | 175 | 82.5 | 0 | 0 | 0 | 0 | 112.1 | Y392 Q393 L398 R399 L400 | Y392-S396 WeakPolarHBondContact O-CB 3.29Å; Y392-S396 PolarHBondContact O-N 3.15Å; Q393-S396 PolarHBondContact O-N 3.4Å; Q393-S396 VanDerWaalsContact O-N 3.1Å; Q393-S396 PolarHBondContact O-OG 3.13Å; S396-L398 VanDerWaalsContact C-N 3.3Å; S396-L398 PolarHBondContact O-N 2.75Å; S396-R399 PolarHBondContact O-N 3.11Å; S396-L400 WeakPolarHBondContact O-CB 3.5Å; S396-L400 WeakPolarHBondContact O-CG 3.44Å; S396-L400 PolarHBondContact O-N 2.79Å |
| 397 | A | 89.5 | Confident | 75.4 | Confident | 24 Ų | 24 | 90.1 Ų | 90.1 | 20% | 0.198 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -57.8 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V352 Q393 R399 A401 | V352-A397 HydrophobicContact CG2-CB 4.5Å; Q393-A397 PolarHBondContact O-N 3.22Å; A397-R399 VanDerWaalsContact C-N 3.34Å; A397-R399 PolarHBondContact O-N 3.19Å; A397-A401 WeakPolarHBondContact O-CB 3.2Å; A397-A401 PolarHBondContact O-N 3.39Å |
| 398 | L | 90.2 | Very high | 72.8 | Confident | 15 Ų | 15 | 97.2 Ų | 97.2 | 8% | 0.079 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -64 | -36 | 174.5 | -66.7 | 170.6 | 0 | 0 | 0 | 112.5 | I343 V347 F348 R351 V352 W386 R394 M395 S396 | I343-L398 HydrophobicContact CD1-CD1 3.71Å; I343-L398 HydrophobicContact CG1-CD1 3.95Å; I343-L398 HydrophobicContact CG2-CD1 4.05Å; I343-L398 HydrophobicContact CG2-CD2 4Å; V347-L398 HydrophobicContact CG1-CD2 4.19Å; F348-L398 HydrophobicContact CB-CD2 4.38Å; F348-L398 HydrophobicContact CD2-CD2 4.24Å; R351-L398 WeakPolarHBondContact CG-O 3.34Å; R351-L398 PolarHBondContact NH1-O 3.31Å; V352-L398 HydrophobicContact CG2-CD2 4.2Å; W386-L398 HydrophobicContact CZ2-CD1 4.27Å; R394-L398 WeakPolarHBondContact O-CG 3.25Å; R394-L398 PolarHBondContact O-N 3.37Å; M395-L398 HydrophobicContact SD-CD1 4.22Å; S396-L398 VanDerWaalsContact C-N 3.3Å; S396-L398 PolarHBondContact O-N 2.75Å |
| 399 | R | 83.6 | Confident | 70.3 | Confident | 187 Ų | 187 | 99.8 Ų | 99.8 | 71% | 0.706 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -75.8 | -47.1 | 179.4 | -66.7 | 174.1 | -171.9 | 174 | 3.5 | 112.4 | R351 M395 S396 A397 | R351-R399 PolarHBondContact NH1-O 3.11Å; M395-R399 WeakPolarHBondContact O-CG 3.12Å; M395-R399 PolarHBondContact O-N 3.13Å; S396-R399 PolarHBondContact O-N 3.11Å; A397-R399 VanDerWaalsContact C-N 3.34Å; A397-R399 PolarHBondContact O-N 3.19Å |
| 400 | L | 64.1 | Low | 67.9 | Low | 133 Ų | 133 | 101.9 Ų | 101.9 | 70% | 0.696 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -92.5 | -22.3 | -160.9 | -66.5 | 172.1 | 0 | 0 | 0 | 115.4 | S396 T402 | S396-L400 WeakPolarHBondContact O-CB 3.5Å; S396-L400 WeakPolarHBondContact O-CG 3.44Å; S396-L400 PolarHBondContact O-N 2.79Å; L400-T402 VanDerWaalsContact C-N 3.29Å; L400-T402 PolarHBondContact O-N 2.79Å |
| 401 | A | 58.2 | Low | 65.5 | Low | 32 Ų | 32 | 106.1 Ų | 106.1 | 26% | 0.264 | 51% | 0.511 | S | S | . | . | trans | -77.3 | 74.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R351 A397 C403 | R351-A401 HydrophobicContact CB-CB 4.07Å; R351-A401 WeakPolarHBondContact CD-O 3.45Å; R351-A401 WeakPolarHBondContact O-CB 3.35Å; A397-A401 WeakPolarHBondContact O-CB 3.2Å; A397-A401 PolarHBondContact O-N 3.39Å; A401-C403 PolarHBondContact O-N 3.18Å; A401-C403 VanDerWaalsContact O-N 3.13Å | ||
| 402 | T | 47.3 | Very low | 63.1 | Low | 112 Ų | 112 | 111.6 Ų | 111.6 | 69% | 0.687 | 53% | 0.533 | S | S | * | . | trans | -64 | 108.1 | 154.1 | 53.2 | 0 | 0 | 0 | 0 | 107.1 | L400 K404 | L400-T402 VanDerWaalsContact C-N 3.29Å; L400-T402 PolarHBondContact O-N 2.79Å; T402-K404 PolarHBondContact O-N 3.13Å | ||
| 403 | C | 47.3 | Very low | 60.7 | Low | 49 Ų | 49 | 106.6 Ų | 106.6 | 33% | 0.331 | 53% | 0.528 | S | S | . | . | trans | -60.2 | 102.1 | 174.5 | -69.8 | 0 | 0 | 0 | 0 | 108.6 | Q350 C354 A401 R405 | Q350-C403 PolarHBondContact O-SG 3.1Å; C354-C403 VanDerWaalsContact CA-SG 3.54Å; C354-C403 HydrophobicContact CB-CB 4.22Å; C354-C403 WeakPolarHBondContact CB-SG 3.45Å; C354-C403 WeakPolarHBondContact SG-CB 3.43Å; C354-C403 CovalentContact SG-SG 2.05Å; C354-C403 PolarHBondContact SG-SG 2.98Å; A401-C403 PolarHBondContact O-N 3.18Å; A401-C403 VanDerWaalsContact O-N 3.13Å; C403-R405 PolarHBondContact O-N 3.45Å | ||
| 404 | K | 45.1 | Very low | 58.4 | Low | 205 Ų | 205 | 109.1 Ų | 109.1 | 89% | 0.891 | 54% | 0.54 | S | S | * | . | trans | -62.5 | 69.6 | 161.1 | -77.9 | -171 | 169.7 | -173.2 | 0 | 109.4 | T402 K406 | T402-K404 PolarHBondContact O-N 3.13Å; K404-K406 PolarHBondContact O-N 3.19Å | ||
| 405 | R | 47 | Very low | 56.1 | Low | 205 Ų | 205 | 115.7 Ų | 115.7 | 77% | 0.774 | 58% | 0.577 | S | S | * | * | trans | -64.2 | 124.1 | 146.1 | -80.9 | -173 | -72.3 | 138.1 | -1 | 105.2 | C403 T407 | C403-R405 PolarHBondContact O-N 3.45Å; R405-T407 PolarHBondContact O-N 3.28Å; R405-T407 PolarHBondContact O-OG1 3.44Å; R405-T407 VanDerWaalsContact O-OG1 3.1Å | ||
| 406 | K | 40.1 | Very low | 53.9 | Low | 141 Ų | 141 | 121 Ų | 121 | 61% | 0.613 | 60% | 0.601 | S | S | * | * | trans | -39.6 | 98.8 | 171.1 | -174.1 | -174.8 | -178.8 | -164 | 0 | 110.1 | K404 E409 | K404-K406 PolarHBondContact O-N 3.19Å; K406-E409 VanDerWaalsContact CE-OE2 3.24Å; K406-E409 WeakPolarHBondContact CE-OE2 3.42Å; K406-E409 IonicContact NZ-OE1 3.7Å; K406-E409 PolarHBondContact NZ-OE1 3Å; K406-E409 IonicContact NZ-OE2 2.94Å; K406-E409 PolarHBondContact NZ-OE2 2.97Å | ||
| 407 | T | 39.1 | Very low | 51.9 | Low | 86 Ų | 86 | 128.5 Ų | 128.5 | 53% | 0.528 | 62% | 0.622 | S | S | . | * | trans | -85.2 | -15.3 | -177.2 | -64.3 | 0 | 0 | 0 | 0 | 111.9 | R405 E409 T410 Q411 | R405-T407 PolarHBondContact O-N 3.28Å; R405-T407 PolarHBondContact O-OG1 3.44Å; R405-T407 VanDerWaalsContact O-OG1 3.1Å; T407-E409 VanDerWaalsContact C-N 3.25Å; T407-E409 PolarHBondContact O-N 3.36Å; T407-T410 PolarHBondContact O-N 3.08Å; T407-Q411 HydrophobicContact CG2-CG 4.21Å | ||
| 408 | E | 42.4 | Very low | 50 | Low | 179 Ų | 179 | 131.9 Ų | 131.9 | 84% | 0.836 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 6.6 | -168.7 | -63.5 | 172.8 | 134.4 | 0 | 0 | 114.6 | ||
| 409 | E | 41.7 | Very low | 48.2 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 9.3 | 173.1 | -97.1 | 174.6 | -178.1 | 0 | 0 | 113.6 | K406 T407 | K406-E409 VanDerWaalsContact CE-OE2 3.24Å; K406-E409 WeakPolarHBondContact CE-OE2 3.42Å; K406-E409 IonicContact NZ-OE1 3.7Å; K406-E409 PolarHBondContact NZ-OE1 3Å; K406-E409 IonicContact NZ-OE2 2.94Å; K406-E409 PolarHBondContact NZ-OE2 2.97Å; T407-E409 VanDerWaalsContact C-N 3.25Å; T407-E409 PolarHBondContact O-N 3.36Å |
| 410 | T | 42.6 | Very low | 47.5 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 59% | 0.589 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | -3 | -176.8 | -41.7 | 0 | 0 | 0 | 0 | 114.4 | T407 K412 A413 | T407-T410 PolarHBondContact O-N 3.08Å; T410-K412 PolarHBondContact O-N 3.15Å; T410-A413 PolarHBondContact O-N 3.37Å |
| 411 | Q | 43.4 | Very low | 48.4 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 5.1 | -179.6 | -71.9 | -176.6 | -22.1 | 0 | 0 | 115.3 | T407 | T407-Q411 HydrophobicContact CG2-CG 4.21Š|
| 412 | K | 41.6 | Very low | 50 | Low | 216 Ų | 216 | 144.8 Ų | 144.8 | 94% | 0.939 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 10.7 | 171.5 | -102.3 | -173.8 | 177.2 | -177.4 | 0 | 114.8 | T410 | T410-K412 PolarHBondContact O-N 3.15Š|
| 413 | A | 42.4 | Very low | 52.1 | Low | 70 Ų | 70 | 150.7 Ų | 150.7 | 58% | 0.579 | 73% | 0.731 | S | S | * | * | trans | -127.8 | 32.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T410 | T410-A413 PolarHBondContact O-N 3.37Š| ||
| 414 | Q | 45.3 | Very low | 54.4 | Low | 125 Ų | 125 | 153.2 Ų | 153.2 | 58% | 0.584 | 74% | 0.741 | S | S | * | * | trans | -89 | -18.8 | -167.7 | -150.9 | 174.4 | -99.9 | 0 | 0 | 115.4 | ||||
| 415 | D | 45.3 | Very low | 56.8 | Low | 162 Ų | 162 | 148.9 Ų | 148.9 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -94.9 | -6.6 | -175.7 | -67.4 | -40.5 | 0 | 0 | 0 | 115.1 | ||
| 416 | E | 45.2 | Very low | 59.2 | Low | 168 Ų | 168 | 141.3 Ų | 141.3 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | trans | -102.9 | 48.4 | 177.4 | -85.6 | -75.7 | 125.8 | 0 | 0 | 111.8 | S418 | E416-S418 PolarHBondContact O-N 3.15Š| ||
| 417 | R | 47.7 | Very low | 61.9 | Low | 203 Ų | 203 | 137.9 Ų | 137.9 | 77% | 0.766 | 70% | 0.695 | S | S | * | * | trans | -76.5 | 65.6 | 174 | -70.5 | -169.7 | -172 | 178.5 | 6.3 | 111.7 | S419 | R417-S419 PolarHBondContact O-N 3.14Š| ||
| 418 | S | 50.8 | Low | 64.7 | Low | 95 Ų | 95 | 138.2 Ų | 138.2 | 66% | 0.664 | 69% | 0.694 | S | S | * | * | trans | -44.4 | 133.8 | 172 | 46.5 | 0 | 0 | 0 | 0 | 112.3 | E416 K420 | E416-S418 PolarHBondContact O-N 3.15Å; S418-K420 PolarHBondContact O-N 2.91Å | ||
| 419 | S | 53.1 | Low | 67.2 | Low | 118 Ų | 118 | 133.4 Ų | 133.4 | 83% | 0.825 | 67% | 0.673 | S | S | * | * | trans | -56.8 | 109.4 | -177.5 | 32 | 0 | 0 | 0 | 0 | 110.5 | R417 K421 | R417-S419 PolarHBondContact O-N 3.14Å; S419-K421 PolarHBondContact O-N 3.15Å; S419-K421 VanDerWaalsContact O-N 3.07Å | ||
| 420 | K | 68.7 | Low | 69.9 | Low | 200 Ų | 200 | 127.6 Ų | 127.6 | 87% | 0.87 | 65% | 0.646 | S | S | * | * | trans | -60.3 | 116.5 | -176.8 | -69.7 | 174.6 | -176 | 167 | 0 | 109.5 | S418 | S418-K420 PolarHBondContact O-N 2.91Š| ||
| 421 | K | 82.1 | Confident | 72.5 | Confident | 190 Ų | 190 | 128 Ų | 128 | 83% | 0.826 | 64% | 0.637 | S | S | * | * | trans | -45 | 130.2 | 177.4 | -62 | -178.8 | 179.3 | -174.9 | 0 | 110.2 | S419 | S419-K421 PolarHBondContact O-N 3.15Å; S419-K421 VanDerWaalsContact O-N 3.07Å | ||
| 422 | P | 91.7 | Very high | 75.1 | Confident | 129 Ų | 129 | 126 Ų | 126 | 84% | 0.838 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 145.4 | 178.1 | 25 | -33.6 | 0 | 0 | 0 | 109.9 | L424 | P422-L424 PolarHBondContact O-N 3.4Š|
| 423 | R | 92.1 | Very high | 77.7 | Confident | 237 Ų | 237 | 117.7 Ų | 117.7 | 89% | 0.894 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 129.6 | 179.1 | -63.8 | -172.7 | -172.2 | -172.5 | 5.4 | 109.3 | V425 | R423-V425 PolarHBondContact O-N 3.1Š|
| 424 | L | 94.9 | Very high | 80.4 | Confident | 101 Ų | 101 | 114.4 Ų | 114.4 | 53% | 0.529 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 129 | 169.4 | -174.1 | 151.5 | 0 | 0 | 0 | 109.8 | P422 F426 L458 T462 | P422-L424 PolarHBondContact O-N 3.4Å; L424-F426 HydrophobicContact CD2-CD1 3.88Å; L424-F426 HydrophobicContact CD2-CE1 3.85Å; L424-F426 HydrophobicContact CD2-CG 4.39Å; L424-F426 HydrophobicContact CD2-CZ 4.33Å; L424-L458 HydrophobicContact CD1-CD2 4.22Å; L424-L458 HydrophobicContact CD2-CD2 4.44Å; L424-T462 HydrophobicContact CD1-CG2 4.24Å; L424-T462 HydrophobicContact CD2-CG2 4.12Å |
| 425 | V | 96.1 | Very high | 82.9 | Confident | 114 Ų | 114 | 112.8 Ų | 112.8 | 69% | 0.691 | 56% | 0.555 | S | S | * | * | trans | -113.8 | 128 | 170.2 | -179.4 | 0 | 0 | 0 | 0 | 106.9 | R423 | R423-V425 PolarHBondContact O-N 3.1Š| ||
| 426 | F | 96.9 | Very high | 85.3 | Confident | 46 Ų | 46 | 107.5 Ų | 107.5 | 20% | 0.202 | 53% | 0.534 | C | S | . | . | trans | -67.9 | 134.1 | 174.3 | -64.9 | -63.4 | 0 | 0 | 0 | 110.4 | L424 Q430 R431 L434 L458 T462 F466 | L424-F426 HydrophobicContact CD2-CD1 3.88Å; L424-F426 HydrophobicContact CD2-CE1 3.85Å; L424-F426 HydrophobicContact CD2-CG 4.39Å; L424-F426 HydrophobicContact CD2-CZ 4.33Å; F426-Q430 HydrophobicContact CB-CB 4.32Å; F426-Q430 HydrophobicContact CD1-CB 4.34Å; F426-R431 HydrophobicContact CB-CB 4.32Å; F426-L434 HydrophobicContact CD1-CD1 4.11Å; F426-L434 HydrophobicContact CE1-CD1 3.89Å; F426-L434 HydrophobicContact CZ-CD1 4.22Å; F426-L458 HydrophobicContact CD1-CD1 4.02Å; F426-L458 HydrophobicContact CD1-CD2 4.24Å; F426-L458 HydrophobicContact CE1-CD1 3.78Å; F426-L458 HydrophobicContact CE1-CD2 4.15Å; F426-T462 HydrophobicContact CE1-CG2 3.54Å; F426-T462 HydrophobicContact CZ-CG2 3.67Å; F426-F466 HydrophobicContact CE2-CD2 4.11Å; F426-F466 HydrophobicContact CZ-CB 4.27Å; F426-F466 HydrophobicContact CZ-CD2 4.42Å | ||
| 427 | T | 97.4 | Very high | 87.8 | Confident | 70 Ų | 70 | 100.9 Ų | 100.9 | 43% | 0.429 | 50% | 0.504 | S | S | . | . | trans | -63 | 158.9 | 165 | 69 | 0 | 0 | 0 | 0 | 109.9 | I429 Q430 R431 | T427-I429 VanDerWaalsContact C-N 3.29Å; T427-I429 PolarHBondContact O-N 3.22Å; T427-I429 VanDerWaalsContact OG1-CG2 3.32Å; T427-I429 WeakPolarHBondContact OG1-CG2 3.33Å; T427-Q430 PolarHBondContact O-N 3.06Å; T427-Q430 WeakPolarHBondContact OG1-CB 3.4Å; T427-Q430 WeakPolarHBondContact OG1-CG 3.45Å; T427-Q430 PolarHBondContact OG1-N 2.8Å; T427-Q430 PolarHBondContact OG1-OE1 3.38Å; T427-R431 WeakPolarHBondContact O-CB 3.24Å; T427-R431 PolarHBondContact O-N 3.22Å | ||
| 428 | D | 96.9 | Very high | 90.1 | Very high | 93 Ų | 93 | 92.4 Ų | 92.4 | 50% | 0.497 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.2 | -29.8 | -175.8 | -65.1 | -52.9 | 0 | 0 | 0 | 113.3 | R431 R432 | D428-R431 IonicContact OD1-NE 2.79Å; D428-R431 PolarHBondContact OD1-NE 3.4Å; D428-R432 VanDerWaalsContact O-CB 3.28Å; D428-R432 WeakPolarHBondContact O-CB 3.37Å; D428-R432 VanDerWaalsContact O-CG 3.26Å; D428-R432 WeakPolarHBondContact O-CG 3.03Å; D428-R432 PolarHBondContact O-N 2.91Å; D428-R432 PolarHBondContact O-NE 2.81Å |
| 429 | I | 95.6 | Very high | 92.3 | Very high | 78 Ų | 78 | 95.4 Ų | 95.4 | 40% | 0.4 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.7 | -47.8 | 170.5 | -175.1 | 60.1 | 0 | 0 | 0 | 111.3 | T427 R431 R432 T433 | T427-I429 VanDerWaalsContact C-N 3.29Å; T427-I429 PolarHBondContact O-N 3.22Å; T427-I429 VanDerWaalsContact OG1-CG2 3.32Å; T427-I429 WeakPolarHBondContact OG1-CG2 3.33Å; I429-R431 VanDerWaalsContact C-N 3.33Å; I429-R431 PolarHBondContact O-N 2.97Å; I429-R432 PolarHBondContact O-N 3.02Å; I429-T433 WeakPolarHBondContact O-CB 3.39Å; I429-T433 PolarHBondContact O-N 3.04Å; I429-T433 PolarHBondContact O-OG1 3.42Å; I429-T433 VanDerWaalsContact O-OG1 3.06Å |
| 430 | Q | 98 | Very high | 94.3 | Very high | 24 Ų | 24 | 97.7 Ų | 97.7 | 11% | 0.112 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -58 | -46.6 | 175.2 | -72.4 | 170.6 | -15.6 | 0 | 0 | 111.1 | F426 T427 L434 L456 L458 | F426-Q430 HydrophobicContact CB-CB 4.32Å; F426-Q430 HydrophobicContact CD1-CB 4.34Å; T427-Q430 PolarHBondContact O-N 3.06Å; T427-Q430 WeakPolarHBondContact OG1-CB 3.4Å; T427-Q430 WeakPolarHBondContact OG1-CG 3.45Å; T427-Q430 PolarHBondContact OG1-N 2.8Å; T427-Q430 PolarHBondContact OG1-OE1 3.38Å; Q430-L434 VanDerWaalsContact O-CB 3.27Å; Q430-L434 WeakPolarHBondContact O-CB 3.18Å; Q430-L434 WeakPolarHBondContact O-CD1 3.27Å; Q430-L434 WeakPolarHBondContact O-CG 3.37Å; Q430-L434 PolarHBondContact O-N 2.96Å; Q430-L456 HydrophobicContact CG-CB 4.22Å; Q430-L456 HydrophobicContact CG-CD2 4.41Å; Q430-L456 PolarHBondContact NE2-O 3.32Å; Q430-L458 HydrophobicContact CB-CD1 4.42Å; Q430-L458 HydrophobicContact CG-CD1 4.23Å; Q430-L458 HydrophobicContact CG-CG 4.5Å |
| 431 | R | 97.7 | Very high | 95.5 | Very high | 105 Ų | 105 | 90 Ų | 90 | 40% | 0.396 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.2 | -51.7 | 177.5 | -175.8 | -167.6 | -56.6 | -94.4 | -7.4 | 110.9 | F426 T427 D428 I429 L434 H435 | F426-R431 HydrophobicContact CB-CB 4.32Å; T427-R431 WeakPolarHBondContact O-CB 3.24Å; T427-R431 PolarHBondContact O-N 3.22Å; D428-R431 IonicContact OD1-NE 2.79Å; D428-R431 PolarHBondContact OD1-NE 3.4Å; I429-R431 VanDerWaalsContact C-N 3.33Å; I429-R431 PolarHBondContact O-N 2.97Å; R431-L434 PolarHBondContact O-N 2.84Å; R431-H435 PolarHBondContact O-N 3.17Å; R431-H435 PolarHBondContact O-ND1 3Å |
| 432 | R | 97.2 | Very high | 96.1 | Very high | 102 Ų | 102 | 86 Ų | 86 | 39% | 0.385 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.6 | -46.3 | -176.7 | -76.1 | -176.1 | -88.1 | 128.4 | -23.7 | 111.5 | C136 D428 I429 L434 H435 A436 | C136-R432 PolarHBondContact SG-NH1 3.27Å; D428-R432 VanDerWaalsContact O-CB 3.28Å; D428-R432 WeakPolarHBondContact O-CB 3.37Å; D428-R432 VanDerWaalsContact O-CG 3.26Å; D428-R432 WeakPolarHBondContact O-CG 3.03Å; D428-R432 PolarHBondContact O-N 2.91Å; D428-R432 PolarHBondContact O-NE 2.81Å; I429-R432 PolarHBondContact O-N 3.02Å; R432-L434 PolarHBondContact O-N 3.01Å; R432-H435 PolarHBondContact O-N 2.81Å; R432-A436 PolarHBondContact O-N 3.13Å |
| 433 | T | 97.7 | Very high | 96.3 | Very high | 42 Ų | 42 | 89.1 Ų | 89.1 | 26% | 0.258 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 176.5 | -57 | 0 | 0 | 0 | 0 | 112.2 | I429 H435 A436 I437 L456 | I429-T433 WeakPolarHBondContact O-CB 3.39Å; I429-T433 PolarHBondContact O-N 3.04Å; I429-T433 PolarHBondContact O-OG1 3.42Å; I429-T433 VanDerWaalsContact O-OG1 3.06Å; T433-H435 VanDerWaalsContact C-N 3.33Å; T433-H435 PolarHBondContact O-N 3.4Å; T433-A436 PolarHBondContact O-N 2.99Å; T433-I437 HydrophobicContact CG2-CD1 3.8Å; T433-I437 HydrophobicContact CG2-CG1 4.5Å; T433-I437 WeakPolarHBondContact O-CD1 3.2Å; T433-I437 WeakPolarHBondContact O-CG1 3.34Å; T433-I437 PolarHBondContact O-N 3.22Å; T433-L456 HydrophobicContact CG2-CD1 4.33Å; T433-L456 HydrophobicContact CG2-CD2 3.94Å |
| 434 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 176.2 | -75.2 | 170.4 | 0 | 0 | 0 | 112.8 | F426 Q430 R431 R432 F438 I452 L456 L458 V463 F466 F467 | F426-L434 HydrophobicContact CD1-CD1 4.11Å; F426-L434 HydrophobicContact CE1-CD1 3.89Å; F426-L434 HydrophobicContact CZ-CD1 4.22Å; Q430-L434 VanDerWaalsContact O-CB 3.27Å; Q430-L434 WeakPolarHBondContact O-CB 3.18Å; Q430-L434 WeakPolarHBondContact O-CD1 3.27Å; Q430-L434 WeakPolarHBondContact O-CG 3.37Å; Q430-L434 PolarHBondContact O-N 2.96Å; R431-L434 PolarHBondContact O-N 2.84Å; R432-L434 PolarHBondContact O-N 3.01Å; L434-F438 WeakPolarHBondContact O-CB 3.19Å; L434-F438 PolarHBondContact O-N 3.35Å; L434-I452 HydrophobicContact CD2-CG2 3.81Å; L434-L456 HydrophobicContact CD1-CD1 4.27Å; L434-L456 HydrophobicContact CD2-CD1 3.8Å; L434-L456 HydrophobicContact CG-CD1 3.61Å; L434-L458 HydrophobicContact CD1-CD1 4.16Å; L434-V463 HydrophobicContact CD2-CG1 4.25Å; L434-F466 HydrophobicContact CB-CD1 3.91Å; L434-F466 HydrophobicContact CB-CD2 4.24Å; L434-F466 HydrophobicContact CB-CE1 3.62Å; L434-F466 HydrophobicContact CB-CE2 3.95Å; L434-F466 HydrophobicContact CB-CG 4.24Å; L434-F466 HydrophobicContact CB-CZ 3.64Å; L434-F466 HydrophobicContact CD1-CB 4.38Å; L434-F466 HydrophobicContact CD1-CD1 4.38Å; L434-F466 HydrophobicContact CD1-CD2 4Å; L434-F466 HydrophobicContact CD1-CE2 4.44Å; L434-F466 HydrophobicContact CD1-CG 3.97Å; L434-F466 HydrophobicContact CD2-CD1 4.07Å; L434-F466 HydrophobicContact CD2-CG 4.39Å; L434-F466 HydrophobicContact CG-CD1 4.35Å; L434-F466 HydrophobicContact CG-CG 4.44Å; L434-F466 WeakPolarHBondContact O-CE1 3.43Å; L434-F467 HydrophobicContact CD2-CE2 3.98Å |
| 435 | H | 97.2 | Very high | 96.7 | Very high | 91 Ų | 91 | 76.4 Ų | 76.4 | 42% | 0.421 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -72.1 | -36.9 | 174.9 | -74.9 | 82.1 | 0 | 0 | 0 | 112.6 | R431 R432 T433 F438 K439 F466 | R431-H435 PolarHBondContact O-N 3.17Å; R431-H435 PolarHBondContact O-ND1 3Å; R432-H435 PolarHBondContact O-N 2.81Å; T433-H435 VanDerWaalsContact C-N 3.33Å; T433-H435 PolarHBondContact O-N 3.4Å; H435-F438 PolarHBondContact O-N 3.37Å; H435-K439 PolarHBondContact O-N 2.95Å; H435-F466 AromaticContact CE1-CE2 3.66Å; H435-F466 AromaticContact CE1-CZ 3.82Å; H435-F466 AromaticContact ND1-CE2 3.96Å; H435-F466 AromaticContact ND1-CZ 3.81Å |
| 436 | A | 97.1 | Very high | 96.7 | Very high | 52 Ų | 52 | 79.6 Ų | 79.6 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.3 | -50.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | R432 T433 F438 K439 E440 | R432-A436 PolarHBondContact O-N 3.13Å; T433-A436 PolarHBondContact O-N 2.99Å; A436-F438 VanDerWaalsContact C-N 3.26Å; A436-F438 PolarHBondContact O-N 2.69Å; A436-K439 WeakPolarHBondContact O-CB 3.03Å; A436-K439 PolarHBondContact O-N 3.05Å; A436-E440 PolarHBondContact O-N 3.36Å |
| 437 | I | 97.1 | Very high | 96.7 | Very high | 29 Ų | 29 | 84.2 Ų | 84.2 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.9 | -35.5 | 176 | -59.4 | 156.9 | 0 | 0 | 0 | 111.2 | T433 K439 E440 T441 M448 I452 F467 | T433-I437 HydrophobicContact CG2-CD1 3.8Å; T433-I437 HydrophobicContact CG2-CG1 4.5Å; T433-I437 WeakPolarHBondContact O-CD1 3.2Å; T433-I437 WeakPolarHBondContact O-CG1 3.34Å; T433-I437 PolarHBondContact O-N 3.22Å; I437-K439 VanDerWaalsContact C-N 3.27Å; I437-K439 PolarHBondContact O-N 2.93Å; I437-E440 PolarHBondContact O-N 3.44Å; I437-T441 HydrophobicContact CG2-CG2 3.81Å; I437-T441 PolarHBondContact O-N 3.3Å; I437-M448 HydrophobicContact CG2-CE 3.99Å; I437-I452 HydrophobicContact CD1-CD1 3.96Å; I437-I452 HydrophobicContact CD1-CG1 3.86Å; I437-I452 HydrophobicContact CD1-CG2 4.05Å; I437-I452 HydrophobicContact CG2-CD1 3.87Å; I437-F467 HydrophobicContact CB-CZ 4.13Å; I437-F467 HydrophobicContact CG2-CE1 4.25Å; I437-F467 HydrophobicContact CG2-CZ 3.72Å |
| 438 | F | 96.9 | Very high | 96.7 | Very high | 25 Ų | 25 | 84.4 Ų | 84.4 | 11% | 0.11 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.6 | -19.2 | 174.1 | -174.2 | -108.5 | 0 | 0 | 0 | 113.8 | L434 H435 A436 K442 F466 F467 A470 R471 | L434-F438 WeakPolarHBondContact O-CB 3.19Å; L434-F438 PolarHBondContact O-N 3.35Å; H435-F438 PolarHBondContact O-N 3.37Å; A436-F438 VanDerWaalsContact C-N 3.26Å; A436-F438 PolarHBondContact O-N 2.69Å; F438-K442 HydrophobicContact CD2-CD 4.24Å; F438-K442 HydrophobicContact CE1-CD 4.21Å; F438-K442 HydrophobicContact CE2-CB 4.13Å; F438-K442 HydrophobicContact CE2-CD 3.83Å; F438-K442 HydrophobicContact CZ-CD 3.81Å; F438-K442 VanDerWaalsContact O-CD 3.3Å; F438-K442 WeakPolarHBondContact O-CD 3.4Å; F438-K442 WeakPolarHBondContact O-CE 3.42Å; F438-K442 PolarHBondContact O-NZ 3.47Å; F438-F466 HydrophobicContact CB-CE1 4.22Å; F438-F467 HydrophobicContact CB-CE1 3.99Å; F438-F467 AromaticContact CD2-CD1 3.81Å; F438-F467 HydrophobicContact CD2-CD1 3.81Å; F438-F467 HydrophobicContact CD2-CE1 4.03Å; F438-A470 HydrophobicContact CD1-CB 3.94Å; F438-A470 HydrophobicContact CD2-CB 3.77Å; F438-A470 HydrophobicContact CE1-CB 3.81Å; F438-A470 HydrophobicContact CE2-CB 3.63Å; F438-A470 HydrophobicContact CG-CB 3.91Å; F438-A470 HydrophobicContact CZ-CB 3.66Å; F438-R471 HydrophobicContact CE2-CG 3.86Å; F438-R471 HydrophobicContact CZ-CG 4.33Å |
| 439 | K | 95.1 | Very high | 96.7 | Very high | 157 Ų | 157 | 81.4 Ų | 81.4 | 68% | 0.683 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68.5 | -53.2 | 168.4 | -71.2 | 178.5 | 178.8 | -175.5 | 0 | 109.5 | H435 A436 I437 K442 | H435-K439 PolarHBondContact O-N 2.95Å; A436-K439 WeakPolarHBondContact O-CB 3.03Å; A436-K439 PolarHBondContact O-N 3.05Å; I437-K439 VanDerWaalsContact C-N 3.27Å; I437-K439 PolarHBondContact O-N 2.93Å; K439-K442 PolarHBondContact O-NZ 3.06Å |
| 440 | E | 95.3 | Very high | 96.9 | Very high | 167 Ų | 167 | 79.3 Ų | 79.3 | 78% | 0.78 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.7 | -47.6 | -179.7 | -55.6 | -46.2 | 117 | 0 | 0 | 113.8 | A436 I437 | A436-E440 PolarHBondContact O-N 3.36Å; I437-E440 PolarHBondContact O-N 3.44Å |
| 441 | T | 94.4 | Very high | 96.8 | Very high | 37 Ų | 37 | 80.7 Ų | 80.7 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | trans | -135.4 | 116.8 | -178.6 | -179.7 | 0 | 0 | 0 | 0 | 113.1 | I437 R443 P444 M448 | I437-T441 HydrophobicContact CG2-CG2 3.81Å; I437-T441 PolarHBondContact O-N 3.3Å; T441-R443 VanDerWaalsContact C-N 3.25Å; T441-R443 PolarHBondContact O-N 3.12Å; T441-R443 PolarHBondContact OG1-N 3.48Å; T441-P444 HydrophobicContact CG2-CB 4.13Å; T441-M448 HydrophobicContact CG2-CE 3.79Å; T441-M448 HydrophobicContact CG2-SD 3.89Å | ||
| 442 | K | 95.3 | Very high | 96.8 | Very high | 106 Ų | 106 | 76 Ų | 76 | 46% | 0.461 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -72.7 | -20 | 175.2 | -48 | -57.5 | 168.8 | -158.4 | 0 | 112.4 | F438 K439 R471 | F438-K442 HydrophobicContact CD2-CD 4.24Å; F438-K442 HydrophobicContact CE1-CD 4.21Å; F438-K442 HydrophobicContact CE2-CB 4.13Å; F438-K442 HydrophobicContact CE2-CD 3.83Å; F438-K442 HydrophobicContact CZ-CD 3.81Å; F438-K442 VanDerWaalsContact O-CD 3.3Å; F438-K442 WeakPolarHBondContact O-CD 3.4Å; F438-K442 WeakPolarHBondContact O-CE 3.42Å; F438-K442 PolarHBondContact O-NZ 3.47Å; K439-K442 PolarHBondContact O-NZ 3.06Å; K442-R471 VanDerWaalsContact O-CD 3.24Å; K442-R471 WeakPolarHBondContact O-CD 3.41Å; K442-R471 WeakPolarHBondContact O-CG 3.15Å; K442-R471 PolarHBondContact O-NH1 3.23Å |
| 443 | R | 96.2 | Very high | 96.9 | Very high | 195 Ų | 195 | 71.2 Ų | 71.2 | 74% | 0.736 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -141.2 | 66 | -170.1 | -62.9 | -176.4 | 70.3 | 103.4 | 1.1 | 110.9 | T441 | T441-R443 VanDerWaalsContact C-N 3.25Å; T441-R443 PolarHBondContact O-N 3.12Å; T441-R443 PolarHBondContact OG1-N 3.48Å |
| 444 | P | 96.6 | Very high | 96.9 | Very high | 8 Ų | 8 | 76.8 Ų | 76.8 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | trans | -58.2 | 146.8 | 175.5 | 26.7 | -36.5 | 0 | 0 | 0 | 111.3 | T441 M448 Q449 F467 | T441-P444 HydrophobicContact CG2-CB 4.13Å; P444-M448 HydrophobicContact CB-CB 4.17Å; P444-M448 HydrophobicContact CB-CG 4.07Å; P444-M448 HydrophobicContact CB-SD 3.56Å; P444-M448 VanDerWaalsContact CB-SD 3.56Å; P444-Q449 HydrophobicContact CB-CG 4.06Å; P444-Q449 HydrophobicContact CG-CG 3.76Å; P444-Q449 PolarHBondContact O-NE2 2.98Å; P444-F467 VanDerWaalsContact CD-CD1 3.48Å; P444-F467 HydrophobicContact CG-CB 4.47Å; P444-F467 HydrophobicContact CG-CD1 3.62Å; P444-F467 HydrophobicContact CG-CD2 3.76Å; P444-F467 HydrophobicContact CG-CE1 3.7Å; P444-F467 HydrophobicContact CG-CE2 3.85Å; P444-F467 HydrophobicContact CG-CG 3.68Å; P444-F467 HydrophobicContact CG-CZ 3.84Å | ||
| 445 | S | 97.4 | Very high | 96.8 | Very high | 64 Ų | 64 | 81.9 Ų | 81.9 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | trans | -64.5 | 166.6 | 176.2 | 72.1 | 0 | 0 | 0 | 0 | 111.6 | E447 M448 Q449 | S445-E447 VanDerWaalsContact C-N 3.27Å; S445-E447 PolarHBondContact O-N 2.85Å; S445-M448 PolarHBondContact O-N 2.71Å; S445-M448 WeakPolarHBondContact OG-CB 3.47Å; S445-M448 PolarHBondContact OG-N 3.46Å; S445-Q449 WeakPolarHBondContact O-CB 3.22Å; S445-Q449 VanDerWaalsContact O-CG 3.26Å; S445-Q449 WeakPolarHBondContact O-CG 3.43Å; S445-Q449 PolarHBondContact O-N 3.27Å; S445-Q449 PolarHBondContact O-NE2 3.42Å | ||
| 446 | K | 96.8 | Very high | 96.8 | Very high | 180 Ų | 180 | 78.5 Ų | 78.5 | 78% | 0.783 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.9 | -38.4 | 176.8 | -174.4 | -178.2 | 176.6 | -172.1 | 0 | 111.7 | A450 | K446-A450 PolarHBondContact O-N 3.45Å; K446-A450 VanDerWaalsContact O-N 3.09Å |
| 447 | E | 97.4 | Very high | 96.8 | Very high | 144 Ų | 144 | 83.2 Ų | 83.2 | 67% | 0.673 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.3 | -51.8 | 174.4 | 179.9 | 178.2 | -158.9 | 0 | 0 | 111.5 | S445 Q449 A450 T451 | S445-E447 VanDerWaalsContact C-N 3.27Å; S445-E447 PolarHBondContact O-N 2.85Å; E447-Q449 VanDerWaalsContact C-N 3.25Å; E447-Q449 PolarHBondContact O-N 3.48Å; E447-A450 CarbonylContact O-C 3.59Å; E447-A450 WeakPolarHBondContact O-CA 3.32Å; E447-A450 VanDerWaalsContact O-CB 3.32Å; E447-A450 WeakPolarHBondContact O-CB 3.45Å; E447-A450 PolarHBondContact O-N 3.01Å; E447-T451 PolarHBondContact O-N 3Å; E447-T451 PolarHBondContact O-OG1 3.45Å |
| 448 | M | 97.1 | Very high | 96.8 | Very high | 74 Ų | 74 | 83 Ų | 83 | 37% | 0.365 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.1 | -38.9 | 176.7 | -170.7 | -174 | -171.1 | 0 | 0 | 111.6 | I437 T441 P444 S445 A450 T451 I452 | I437-M448 HydrophobicContact CG2-CE 3.99Å; T441-M448 HydrophobicContact CG2-CE 3.79Å; T441-M448 HydrophobicContact CG2-SD 3.89Å; P444-M448 HydrophobicContact CB-CB 4.17Å; P444-M448 HydrophobicContact CB-CG 4.07Å; P444-M448 HydrophobicContact CB-SD 3.56Å; P444-M448 VanDerWaalsContact CB-SD 3.56Å; S445-M448 PolarHBondContact O-N 2.71Å; S445-M448 WeakPolarHBondContact OG-CB 3.47Å; S445-M448 PolarHBondContact OG-N 3.46Å; M448-A450 VanDerWaalsContact C-N 3.31Å; M448-A450 PolarHBondContact O-N 3.28Å; M448-T451 PolarHBondContact O-N 3.16Å; M448-I452 HydrophobicContact CE-CD1 4.44Å; M448-I452 HydrophobicContact CG-CD1 3.93Å; M448-I452 WeakPolarHBondContact O-CB 3.42Å; M448-I452 WeakPolarHBondContact O-CD1 3.47Å; M448-I452 WeakPolarHBondContact O-CG1 3.47Å; M448-I452 PolarHBondContact O-N 3.13Å |
| 449 | Q | 97.7 | Very high | 96.8 | Very high | 30 Ų | 30 | 88.1 Ų | 88.1 | 14% | 0.14 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.2 | -34.3 | 173.1 | -72.6 | 171.4 | 57.5 | 0 | 0 | 112.8 | P444 S445 E447 A453 V460 V463 A464 | P444-Q449 HydrophobicContact CB-CG 4.06Å; P444-Q449 HydrophobicContact CG-CG 3.76Å; P444-Q449 PolarHBondContact O-NE2 2.98Å; S445-Q449 WeakPolarHBondContact O-CB 3.22Å; S445-Q449 VanDerWaalsContact O-CG 3.26Å; S445-Q449 WeakPolarHBondContact O-CG 3.43Å; S445-Q449 PolarHBondContact O-N 3.27Å; S445-Q449 PolarHBondContact O-NE2 3.42Å; E447-Q449 VanDerWaalsContact C-N 3.25Å; E447-Q449 PolarHBondContact O-N 3.48Å; Q449-A453 WeakPolarHBondContact O-CB 3.41Å; Q449-A453 PolarHBondContact O-N 2.9Å; Q449-V460 HydrophobicContact CB-CG1 4.36Å; Q449-V463 HydrophobicContact CB-CG1 4.23Å; Q449-V463 HydrophobicContact CG-CG1 4.24Å; Q449-A464 VanDerWaalsContact OE1-CA 3.28Å |
| 450 | A | 98.1 | Very high | 96.9 | Very high | 33 Ų | 33 | 83.7 Ų | 83.7 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -70.2 | -41.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K446 E447 M448 A453 Q454 V460 | K446-A450 PolarHBondContact O-N 3.45Å; K446-A450 VanDerWaalsContact O-N 3.09Å; E447-A450 CarbonylContact O-C 3.59Å; E447-A450 WeakPolarHBondContact O-CA 3.32Å; E447-A450 VanDerWaalsContact O-CB 3.32Å; E447-A450 WeakPolarHBondContact O-CB 3.45Å; E447-A450 PolarHBondContact O-N 3.01Å; M448-A450 VanDerWaalsContact C-N 3.31Å; M448-A450 PolarHBondContact O-N 3.28Å; A450-A453 WeakPolarHBondContact O-CB 3.45Å; A450-A453 PolarHBondContact O-N 2.97Å; A450-Q454 WeakPolarHBondContact O-CG 3.45Å; A450-Q454 PolarHBondContact O-N 3.43Å; A450-V460 HydrophobicContact CB-CG2 4.28Å |
| 451 | T | 97.5 | Very high | 97 | Very high | 53 Ų | 53 | 78.2 Ų | 78.2 | 33% | 0.325 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 173.7 | -46.9 | 0 | 0 | 0 | 0 | 111.6 | E447 M448 A453 Q454 Q455 | E447-T451 PolarHBondContact O-N 3Å; E447-T451 PolarHBondContact O-OG1 3.45Å; M448-T451 PolarHBondContact O-N 3.16Å; T451-A453 VanDerWaalsContact C-N 3.34Å; T451-A453 PolarHBondContact O-N 3.13Å; T451-Q454 PolarHBondContact O-N 2.92Å; T451-Q455 WeakPolarHBondContact O-CB 2.86Å; T451-Q455 WeakPolarHBondContact O-CG 3.15Å; T451-Q455 PolarHBondContact O-N 3.38Å |
| 452 | I | 97.3 | Very high | 97.2 | Very high | 6 Ų | 6 | 77.7 Ų | 77.7 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 176.7 | -65.5 | 161.7 | 0 | 0 | 0 | 110.9 | L434 I437 M448 Q455 L456 V463 F467 | L434-I452 HydrophobicContact CD2-CG2 3.81Å; I437-I452 HydrophobicContact CD1-CD1 3.96Å; I437-I452 HydrophobicContact CD1-CG1 3.86Å; I437-I452 HydrophobicContact CD1-CG2 4.05Å; I437-I452 HydrophobicContact CG2-CD1 3.87Å; M448-I452 HydrophobicContact CE-CD1 4.44Å; M448-I452 HydrophobicContact CG-CD1 3.93Å; M448-I452 WeakPolarHBondContact O-CB 3.42Å; M448-I452 WeakPolarHBondContact O-CD1 3.47Å; M448-I452 WeakPolarHBondContact O-CG1 3.47Å; M448-I452 PolarHBondContact O-N 3.13Å; I452-Q455 PolarHBondContact O-N 2.98Å; I452-L456 HydrophobicContact CG2-CD1 3.8Å; I452-L456 HydrophobicContact CG2-CG 4.37Å; I452-L456 VanDerWaalsContact O-CB 3.3Å; I452-L456 WeakPolarHBondContact O-CB 3.44Å; I452-L456 WeakPolarHBondContact O-CG 3.23Å; I452-L456 PolarHBondContact O-N 2.77Å; I452-V463 HydrophobicContact CB-CG1 4.2Å; I452-V463 HydrophobicContact CG2-CG1 3.86Å; I452-V463 HydrophobicContact CG2-CG2 4.23Å; I452-F467 HydrophobicContact CD1-CE2 4.23Å; I452-F467 HydrophobicContact CD1-CZ 4.34Å |
| 453 | A | 97.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 72.6 Ų | 72.6 | 3% | 0.025 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q449 A450 T451 N457 L458 V460 V463 | Q449-A453 WeakPolarHBondContact O-CB 3.41Å; Q449-A453 PolarHBondContact O-N 2.9Å; A450-A453 WeakPolarHBondContact O-CB 3.45Å; A450-A453 PolarHBondContact O-N 2.97Å; T451-A453 VanDerWaalsContact C-N 3.34Å; T451-A453 PolarHBondContact O-N 3.13Å; A453-N457 WeakPolarHBondContact O-CA 3.24Å; A453-N457 PolarHBondContact O-N 3.47Å; A453-L458 CarbonylContact C-O 3.59Å; A453-L458 WeakPolarHBondContact CB-O 3.43Å; A453-L458 PolarHBondContact O-N 3.36Å; A453-V460 HydrophobicContact CB-CB 4.33Å; A453-V460 HydrophobicContact CB-CG2 3.86Å; A453-V463 HydrophobicContact CB-CG2 3.83Å |
| 454 | Q | 97.5 | Very high | 97.4 | Very high | 158 Ų | 158 | 64.6 Ų | 64.6 | 74% | 0.738 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.3 | -49.7 | 174.5 | -72.6 | 173.7 | -28.2 | 0 | 0 | 112.1 | A450 T451 L456 N457 | A450-Q454 WeakPolarHBondContact O-CG 3.45Å; A450-Q454 PolarHBondContact O-N 3.43Å; T451-Q454 PolarHBondContact O-N 2.92Å; Q454-L456 VanDerWaalsContact C-N 3.28Å; Q454-L456 PolarHBondContact O-N 3.38Å; Q454-N457 PolarHBondContact O-N 3.47Å |
| 455 | Q | 96.7 | Very high | 97.4 | Very high | 107 Ų | 107 | 68 Ų | 68 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.1 | -31.7 | -178.6 | -73.3 | 176.4 | 5.9 | 0 | 0 | 113.7 | T451 I452 | T451-Q455 WeakPolarHBondContact O-CB 2.86Å; T451-Q455 WeakPolarHBondContact O-CG 3.15Å; T451-Q455 PolarHBondContact O-N 3.38Å; I452-Q455 PolarHBondContact O-N 2.98Å |
| 456 | L | 97 | Very high | 97.5 | Very high | 21 Ų | 21 | 66 Ų | 66 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 0.3 | -179.7 | -66.8 | -175.1 | 0 | 0 | 0 | 114 | Q430 T433 L434 I452 Q454 L458 | Q430-L456 HydrophobicContact CG-CB 4.22Å; Q430-L456 HydrophobicContact CG-CD2 4.41Å; Q430-L456 PolarHBondContact NE2-O 3.32Å; T433-L456 HydrophobicContact CG2-CD1 4.33Å; T433-L456 HydrophobicContact CG2-CD2 3.94Å; L434-L456 HydrophobicContact CD1-CD1 4.27Å; L434-L456 HydrophobicContact CD2-CD1 3.8Å; L434-L456 HydrophobicContact CG-CD1 3.61Å; I452-L456 HydrophobicContact CG2-CD1 3.8Å; I452-L456 HydrophobicContact CG2-CG 4.37Å; I452-L456 VanDerWaalsContact O-CB 3.3Å; I452-L456 WeakPolarHBondContact O-CB 3.44Å; I452-L456 WeakPolarHBondContact O-CG 3.23Å; I452-L456 PolarHBondContact O-N 2.77Å; Q454-L456 VanDerWaalsContact C-N 3.28Å; Q454-L456 PolarHBondContact O-N 3.38Å; L456-L458 VanDerWaalsContact C-N 3.35Å; L456-L458 HydrophobicContact CB-CD1 3.85Å; L456-L458 HydrophobicContact CB-CG 4.1Å; L456-L458 HydrophobicContact CD1-CD1 4.24Å; L456-L458 PolarHBondContact O-N 2.91Å |
| 457 | N | 97 | Very high | 97.5 | Very high | 151 Ų | 151 | 57.4 Ų | 57.4 | 81% | 0.807 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 51.7 | -172.7 | -154.3 | 54.5 | 0 | 0 | 0 | 112.6 | A453 Q454 | A453-N457 WeakPolarHBondContact O-CA 3.24Å; A453-N457 PolarHBondContact O-N 3.47Å; Q454-N457 PolarHBondContact O-N 3.47Å |
| 458 | L | 97 | Very high | 97.4 | Very high | 24 Ų | 24 | 55.2 Ų | 55.2 | 13% | 0.126 | 29% | 0.294 | C | S | . | . | trans | -123.5 | 160.2 | -179.7 | -71.4 | 172.5 | 0 | 0 | 0 | 110.5 | L424 F426 Q430 L434 A453 L456 T462 V463 | L424-L458 HydrophobicContact CD1-CD2 4.22Å; L424-L458 HydrophobicContact CD2-CD2 4.44Å; F426-L458 HydrophobicContact CD1-CD1 4.02Å; F426-L458 HydrophobicContact CD1-CD2 4.24Å; F426-L458 HydrophobicContact CE1-CD1 3.78Å; F426-L458 HydrophobicContact CE1-CD2 4.15Å; Q430-L458 HydrophobicContact CB-CD1 4.42Å; Q430-L458 HydrophobicContact CG-CD1 4.23Å; Q430-L458 HydrophobicContact CG-CG 4.5Å; L434-L458 HydrophobicContact CD1-CD1 4.16Å; A453-L458 CarbonylContact C-O 3.59Å; A453-L458 WeakPolarHBondContact CB-O 3.43Å; A453-L458 PolarHBondContact O-N 3.36Å; L456-L458 VanDerWaalsContact C-N 3.35Å; L456-L458 HydrophobicContact CB-CD1 3.85Å; L456-L458 HydrophobicContact CB-CG 4.1Å; L456-L458 HydrophobicContact CD1-CD1 4.24Å; L456-L458 PolarHBondContact O-N 2.91Å; L458-T462 HydrophobicContact CD2-CG2 4.33Å; L458-V463 HydrophobicContact CB-CG2 4.16Å; L458-V463 HydrophobicContact CD1-CG2 4.32Å | ||
| 459 | E | 97.1 | Very high | 97.4 | Very high | 133 Ų | 133 | 54.6 Ų | 54.6 | 62% | 0.621 | 29% | 0.293 | S | S | * | . | trans | -69.6 | 143.8 | 167.3 | -68 | -171.4 | 179.9 | 0 | 0 | 111.7 | S461 T462 V463 | E459-S461 VanDerWaalsContact CB-OG 3.31Å; E459-S461 WeakPolarHBondContact CB-OG 3.44Å; E459-S461 PolarHBondContact O-N 3.31Å; E459-S461 PolarHBondContact OE2-OG 2.93Å; E459-T462 WeakPolarHBondContact O-CA 3.44Å; E459-T462 WeakPolarHBondContact O-CB 3.16Å; E459-T462 PolarHBondContact O-N 2.79Å; E459-V463 PolarHBondContact O-N 3.43Å; E459-V463 VanDerWaalsContact O-N 3.09Å | ||
| 460 | V | 97.7 | Very high | 97.3 | Very high | 63 Ų | 63 | 53.9 Ų | 53.9 | 38% | 0.382 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.7 | -35 | 170.8 | -167.9 | 0 | 0 | 0 | 0 | 111.3 | Q449 A450 A453 T462 V463 A464 | Q449-V460 HydrophobicContact CB-CG1 4.36Å; A450-V460 HydrophobicContact CB-CG2 4.28Å; A453-V460 HydrophobicContact CB-CB 4.33Å; A453-V460 HydrophobicContact CB-CG2 3.86Å; V460-T462 VanDerWaalsContact C-N 3.29Å; V460-T462 PolarHBondContact O-N 2.92Å; V460-V463 PolarHBondContact O-N 3Å; V460-A464 WeakPolarHBondContact O-CB 3.44Å; V460-A464 PolarHBondContact O-N 2.98Å |
| 461 | S | 97.4 | Very high | 97.1 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 37% | 0.371 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.6 | -42.3 | 173.1 | 77 | 0 | 0 | 0 | 0 | 111.9 | E459 N465 | E459-S461 VanDerWaalsContact CB-OG 3.31Å; E459-S461 WeakPolarHBondContact CB-OG 3.44Å; E459-S461 PolarHBondContact O-N 3.31Å; E459-S461 PolarHBondContact OE2-OG 2.93Å; S461-N465 VanDerWaalsContact O-CB 3.31Å; S461-N465 WeakPolarHBondContact O-CB 3.26Å; S461-N465 VanDerWaalsContact O-CG 3.22Å; S461-N465 PolarHBondContact O-N 3.35Å; S461-N465 PolarHBondContact O-ND2 2.99Å |
| 462 | T | 97.7 | Very high | 96.8 | Very high | 25 Ų | 25 | 58.5 Ų | 58.5 | 15% | 0.153 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -76 | -40.4 | -174.7 | -68.3 | 0 | 0 | 0 | 0 | 110.4 | L424 F426 L458 E459 V460 N465 F466 | L424-T462 HydrophobicContact CD1-CG2 4.24Å; L424-T462 HydrophobicContact CD2-CG2 4.12Å; F426-T462 HydrophobicContact CE1-CG2 3.54Å; F426-T462 HydrophobicContact CZ-CG2 3.67Å; L458-T462 HydrophobicContact CD2-CG2 4.33Å; E459-T462 WeakPolarHBondContact O-CA 3.44Å; E459-T462 WeakPolarHBondContact O-CB 3.16Å; E459-T462 PolarHBondContact O-N 2.79Å; V460-T462 VanDerWaalsContact C-N 3.29Å; V460-T462 PolarHBondContact O-N 2.92Å; T462-N465 PolarHBondContact O-N 2.86Å; T462-F466 PolarHBondContact O-N 2.89Å |
| 463 | V | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 171.4 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | L434 Q449 I452 A453 L458 E459 V460 N465 F466 F467 | L434-V463 HydrophobicContact CD2-CG1 4.25Å; Q449-V463 HydrophobicContact CB-CG1 4.23Å; Q449-V463 HydrophobicContact CG-CG1 4.24Å; I452-V463 HydrophobicContact CB-CG1 4.2Å; I452-V463 HydrophobicContact CG2-CG1 3.86Å; I452-V463 HydrophobicContact CG2-CG2 4.23Å; A453-V463 HydrophobicContact CB-CG2 3.83Å; L458-V463 HydrophobicContact CB-CG2 4.16Å; L458-V463 HydrophobicContact CD1-CG2 4.32Å; E459-V463 PolarHBondContact O-N 3.43Å; E459-V463 VanDerWaalsContact O-N 3.09Å; V460-V463 PolarHBondContact O-N 3Å; V463-N465 VanDerWaalsContact C-N 3.31Å; V463-N465 PolarHBondContact O-N 3.11Å; V463-F466 WeakPolarHBondContact O-CB 3.28Å; V463-F466 PolarHBondContact O-N 2.84Å; V463-F466 VanDerWaalsContact O-N 3.1Å; V463-F467 HydrophobicContact CG1-CD2 3.8Å; V463-F467 HydrophobicContact CG1-CE2 3.71Å; V463-F467 VanDerWaalsContact O-CD2 3.31Å; V463-F467 WeakPolarHBondContact O-CD2 3.47Å; V463-F467 PolarHBondContact O-N 3.15Å |
| 464 | A | 98 | Very high | 96 | Very high | 26 Ų | 26 | 67.7 Ų | 67.7 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.1 | -45 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q449 V460 F467 M468 | Q449-A464 VanDerWaalsContact OE1-CA 3.28Å; V460-A464 WeakPolarHBondContact O-CB 3.44Å; V460-A464 PolarHBondContact O-N 2.98Å; A464-F467 PolarHBondContact O-N 3.23Å; A464-M468 WeakPolarHBondContact O-CG 3.41Å; A464-M468 PolarHBondContact O-N 2.87Å |
| 465 | N | 97.6 | Very high | 94.5 | Very high | 79 Ų | 79 | 65.9 Ų | 65.9 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 175.8 | -79.9 | -41.3 | 0 | 0 | 0 | 113.2 | S461 T462 V463 M468 N469 | S461-N465 VanDerWaalsContact O-CB 3.31Å; S461-N465 WeakPolarHBondContact O-CB 3.26Å; S461-N465 VanDerWaalsContact O-CG 3.22Å; S461-N465 PolarHBondContact O-N 3.35Å; S461-N465 PolarHBondContact O-ND2 2.99Å; T462-N465 PolarHBondContact O-N 2.86Å; V463-N465 VanDerWaalsContact C-N 3.31Å; V463-N465 PolarHBondContact O-N 3.11Å; N465-M468 WeakPolarHBondContact OD1-CE 3.44Å; N465-N469 WeakPolarHBondContact O-CB 3.44Å; N465-N469 PolarHBondContact O-N 3.08Å; N465-N469 PolarHBondContact O-ND2 2.72Å |
| 466 | F | 98.2 | Very high | 92.8 | Very high | 23 Ų | 23 | 67.5 Ų | 67.5 | 10% | 0.101 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.6 | -55 | 172 | 173.5 | -88.1 | 0 | 0 | 0 | 110.4 | F426 L434 H435 F438 T462 V463 M468 N469 A470 | F426-F466 HydrophobicContact CE2-CD2 4.11Å; F426-F466 HydrophobicContact CZ-CB 4.27Å; F426-F466 HydrophobicContact CZ-CD2 4.42Å; L434-F466 HydrophobicContact CB-CD1 3.91Å; L434-F466 HydrophobicContact CB-CD2 4.24Å; L434-F466 HydrophobicContact CB-CE1 3.62Å; L434-F466 HydrophobicContact CB-CE2 3.95Å; L434-F466 HydrophobicContact CB-CG 4.24Å; L434-F466 HydrophobicContact CB-CZ 3.64Å; L434-F466 HydrophobicContact CD1-CB 4.38Å; L434-F466 HydrophobicContact CD1-CD1 4.38Å; L434-F466 HydrophobicContact CD1-CD2 4Å; L434-F466 HydrophobicContact CD1-CE2 4.44Å; L434-F466 HydrophobicContact CD1-CG 3.97Å; L434-F466 HydrophobicContact CD2-CD1 4.07Å; L434-F466 HydrophobicContact CD2-CG 4.39Å; L434-F466 HydrophobicContact CG-CD1 4.35Å; L434-F466 HydrophobicContact CG-CG 4.44Å; L434-F466 WeakPolarHBondContact O-CE1 3.43Å; H435-F466 AromaticContact CE1-CE2 3.66Å; H435-F466 AromaticContact CE1-CZ 3.82Å; H435-F466 AromaticContact ND1-CE2 3.96Å; H435-F466 AromaticContact ND1-CZ 3.81Å; F438-F466 HydrophobicContact CB-CE1 4.22Å; T462-F466 PolarHBondContact O-N 2.89Å; V463-F466 WeakPolarHBondContact O-CB 3.28Å; V463-F466 PolarHBondContact O-N 2.84Å; V463-F466 VanDerWaalsContact O-N 3.1Å; F466-M468 VanDerWaalsContact C-N 3.31Å; F466-M468 PolarHBondContact O-N 3.36Å; F466-N469 PolarHBondContact O-N 3.05Å; F466-A470 HydrophobicContact CE1-CB 4.15Å; F466-A470 HydrophobicContact CZ-CB 4.39Å; F466-A470 WeakPolarHBondContact O-CB 3.29Å; F466-A470 PolarHBondContact O-N 3.41Å |
| 467 | F | 97.6 | Very high | 91 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.9 | -34.1 | -178.1 | -79.4 | -80.5 | 0 | 0 | 0 | 112.8 | L434 I437 F438 P444 I452 V463 A464 R471 | L434-F467 HydrophobicContact CD2-CE2 3.98Å; I437-F467 HydrophobicContact CB-CZ 4.13Å; I437-F467 HydrophobicContact CG2-CE1 4.25Å; I437-F467 HydrophobicContact CG2-CZ 3.72Å; F438-F467 HydrophobicContact CB-CE1 3.99Å; F438-F467 AromaticContact CD2-CD1 3.81Å; F438-F467 HydrophobicContact CD2-CD1 3.81Å; F438-F467 HydrophobicContact CD2-CE1 4.03Å; P444-F467 VanDerWaalsContact CD-CD1 3.48Å; P444-F467 HydrophobicContact CG-CB 4.47Å; P444-F467 HydrophobicContact CG-CD1 3.62Å; P444-F467 HydrophobicContact CG-CD2 3.76Å; P444-F467 HydrophobicContact CG-CE1 3.7Å; P444-F467 HydrophobicContact CG-CE2 3.85Å; P444-F467 HydrophobicContact CG-CG 3.68Å; P444-F467 HydrophobicContact CG-CZ 3.84Å; I452-F467 HydrophobicContact CD1-CE2 4.23Å; I452-F467 HydrophobicContact CD1-CZ 4.34Å; V463-F467 HydrophobicContact CG1-CD2 3.8Å; V463-F467 HydrophobicContact CG1-CE2 3.71Å; V463-F467 VanDerWaalsContact O-CD2 3.31Å; V463-F467 WeakPolarHBondContact O-CD2 3.47Å; V463-F467 PolarHBondContact O-N 3.15Å; A464-F467 PolarHBondContact O-N 3.23Å; F467-R471 WeakPolarHBondContact O-CB 3.4Å; F467-R471 WeakPolarHBondContact O-CG 3.49Å; F467-R471 PolarHBondContact O-N 3.41Å; F467-R471 VanDerWaalsContact O-N 3.13Å; F467-R471 PolarHBondContact O-NH1 3.28Å |
| 468 | M | 95.7 | Very high | 89.3 | Confident | 97 Ų | 97 | 67.7 Ų | 67.7 | 48% | 0.478 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 170.5 | -75.2 | -163.1 | -66.4 | 0 | 0 | 112.4 | A464 N465 F466 R472 | A464-M468 WeakPolarHBondContact O-CG 3.41Å; A464-M468 PolarHBondContact O-N 2.87Å; N465-M468 WeakPolarHBondContact OD1-CE 3.44Å; F466-M468 VanDerWaalsContact C-N 3.31Å; F466-M468 PolarHBondContact O-N 3.36Å; M468-R472 WeakPolarHBondContact O-CB 3.34Å; M468-R472 PolarHBondContact O-N 3.01Å; M468-R472 VanDerWaalsContact O-N 3.07Å |
| 469 | N | 95.7 | Very high | 87.3 | Confident | 61 Ų | 61 | 71.2 Ų | 71.2 | 33% | 0.326 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.9 | -36.4 | -180 | -80.5 | -70.1 | 0 | 0 | 0 | 113.1 | N465 F466 R472 R473 | N465-N469 WeakPolarHBondContact O-CB 3.44Å; N465-N469 PolarHBondContact O-N 3.08Å; N465-N469 PolarHBondContact O-ND2 2.72Å; F466-N469 PolarHBondContact O-N 3.05Å; N469-R472 WeakPolarHBondContact O-CB 3.47Å; N469-R472 PolarHBondContact O-N 3.1Å; N469-R472 VanDerWaalsContact O-N 3.11Å; N469-R472 PolarHBondContact OD1-NE 2.96Å; N469-R473 WeakPolarHBondContact O-CB 3.47Å; N469-R473 WeakPolarHBondContact O-CG 3.45Å; N469-R473 PolarHBondContact O-N 3.31Å |
| 470 | A | 96 | Very high | 84.8 | Confident | 15 Ų | 15 | 69.1 Ų | 69.1 | 12% | 0.124 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.5 | -48.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | F438 F466 R472 R473 S474 | F438-A470 HydrophobicContact CD1-CB 3.94Å; F438-A470 HydrophobicContact CD2-CB 3.77Å; F438-A470 HydrophobicContact CE1-CB 3.81Å; F438-A470 HydrophobicContact CE2-CB 3.63Å; F438-A470 HydrophobicContact CG-CB 3.91Å; F438-A470 HydrophobicContact CZ-CB 3.66Å; F466-A470 HydrophobicContact CE1-CB 4.15Å; F466-A470 HydrophobicContact CZ-CB 4.39Å; F466-A470 WeakPolarHBondContact O-CB 3.29Å; F466-A470 PolarHBondContact O-N 3.41Å; A470-R472 VanDerWaalsContact C-N 3.26Å; A470-R472 PolarHBondContact O-N 3.28Å; A470-R473 PolarHBondContact O-N 3.29Å; A470-S474 PolarHBondContact O-N 2.99Å |
| 471 | R | 95.2 | Very high | 82.3 | Confident | 62 Ų | 62 | 72.8 Ų | 72.8 | 23% | 0.234 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.6 | -26.2 | 171.5 | -72.7 | -168.8 | -63 | -87.1 | 0 | 114.4 | F438 K442 F467 S474 K477 | F438-R471 HydrophobicContact CE2-CG 3.86Å; F438-R471 HydrophobicContact CZ-CG 4.33Å; K442-R471 VanDerWaalsContact O-CD 3.24Å; K442-R471 WeakPolarHBondContact O-CD 3.41Å; K442-R471 WeakPolarHBondContact O-CG 3.15Å; K442-R471 PolarHBondContact O-NH1 3.23Å; F467-R471 WeakPolarHBondContact O-CB 3.4Å; F467-R471 WeakPolarHBondContact O-CG 3.49Å; F467-R471 PolarHBondContact O-N 3.41Å; F467-R471 VanDerWaalsContact O-N 3.13Å; F467-R471 PolarHBondContact O-NH1 3.28Å; R471-S474 PolarHBondContact O-OG 2.84Å; R471-K477 WeakPolarHBondContact O-CD 3.13Å |
| 472 | R | 91.1 | Very high | 79.8 | Confident | 121 Ų | 121 | 77.9 Ų | 77.9 | 46% | 0.457 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -76.2 | -32.5 | 176 | -171.4 | -175.3 | 69.6 | 82.5 | -10 | 111.9 | D362 M468 N469 A470 | D362-R472 IonicContact OD2-CZ 2.98Å; D362-R472 IonicContact OD2-NH1 2.72Å; D362-R472 PolarHBondContact OD2-NH1 3.08Å; D362-R472 IonicContact OD2-NH2 3.18Å; D362-R472 PolarHBondContact OD2-NH2 3.44Å; M468-R472 WeakPolarHBondContact O-CB 3.34Å; M468-R472 PolarHBondContact O-N 3.01Å; M468-R472 VanDerWaalsContact O-N 3.07Å; N469-R472 WeakPolarHBondContact O-CB 3.47Å; N469-R472 PolarHBondContact O-N 3.1Å; N469-R472 VanDerWaalsContact O-N 3.11Å; N469-R472 PolarHBondContact OD1-NE 2.96Å; A470-R472 VanDerWaalsContact C-N 3.26Å; A470-R472 PolarHBondContact O-N 3.28Å |
| 473 | R | 90.3 | Very high | 77.5 | Confident | 167 Ų | 167 | 82.3 Ų | 82.3 | 63% | 0.63 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -101.1 | -14.9 | -171.5 | -70.6 | 175.7 | 171.7 | 171 | -2.1 | 114.9 | N469 A470 L475 | N469-R473 WeakPolarHBondContact O-CB 3.47Å; N469-R473 WeakPolarHBondContact O-CG 3.45Å; N469-R473 PolarHBondContact O-N 3.31Å; A470-R473 PolarHBondContact O-N 3.29Å; R473-L475 PolarHBondContact O-N 3.44Å; R473-L475 VanDerWaalsContact O-N 3.12Å |
| 474 | S | 87.6 | Confident | 75.2 | Confident | 36 Ų | 36 | 87.1 Ų | 87.1 | 25% | 0.252 | 43% | 0.433 | S | S | . | . | trans | -58.6 | 113.8 | 177.2 | 54.6 | 0 | 0 | 0 | 0 | 110.9 | A470 R471 D476 K477 | A470-S474 PolarHBondContact O-N 2.99Å; R471-S474 PolarHBondContact O-OG 2.84Å; S474-D476 VanDerWaalsContact C-N 3.29Å; S474-D476 PolarHBondContact O-N 3.11Å; S474-K477 PolarHBondContact O-N 2.76Å; S474-K477 WeakPolarHBondContact OG-CD 3.42Å | ||
| 475 | L | 65 | Low | 72.5 | Confident | 119 Ų | 119 | 93.3 Ų | 93.3 | 62% | 0.623 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -58.4 | -37.4 | -169.2 | -177.3 | 61.8 | 0 | 0 | 0 | 113.8 | R473 K477 W478 | R473-L475 PolarHBondContact O-N 3.44Å; R473-L475 VanDerWaalsContact O-N 3.12Å; L475-K477 PolarHBondContact O-N 2.61Å; L475-W478 PolarHBondContact O-N 3.08Å |
| 476 | D | 61.1 | Low | 70.1 | Confident | 141 Ų | 141 | 96.4 Ų | 96.4 | 75% | 0.754 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -37.3 | -34 | 173.8 | -171.4 | -105.6 | 0 | 0 | 0 | 114.7 | S474 W478 | S474-D476 VanDerWaalsContact C-N 3.29Å; S474-D476 PolarHBondContact O-N 3.11Å; D476-W478 VanDerWaalsContact C-N 3.26Å; D476-W478 PolarHBondContact O-N 3.06Å; D476-W478 VanDerWaalsContact O-N 3.13Å |
| 477 | K | 60.7 | Low | 67.8 | Low | 99 Ų | 99 | 100.4 Ų | 100.4 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -68.5 | -12 | -173.4 | -71.6 | -173.7 | 88.7 | -50.5 | 0 | 116.4 | R471 S474 L475 | R471-K477 WeakPolarHBondContact O-CD 3.13Å; S474-K477 PolarHBondContact O-N 2.76Å; S474-K477 WeakPolarHBondContact OG-CD 3.42Å; L475-K477 PolarHBondContact O-N 2.61Å |
| 478 | W | 60.3 | Low | 65.5 | Low | 77 Ų | 77 | 103.9 Ų | 103.9 | 29% | 0.292 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -138.3 | 12.9 | -175 | -45.6 | 117.3 | 0 | 0 | 0 | 114.4 | K368 P369 K372 L475 D476 D480 | K368-W478 HydrophobicContact CD-CZ2 3.94Å; K368-W478 VanDerWaalsContact CE-CZ2 3.46Å; K368-W478 HydrophobicContact CG-CZ2 4.06Å; P369-W478 HydrophobicContact CG-CB 4.3Å; P369-W478 HydrophobicContact CG-CD2 4.16Å; P369-W478 HydrophobicContact CG-CE3 3.68Å; P369-W478 HydrophobicContact CG-CG 4.44Å; P369-W478 HydrophobicContact CG-CZ3 4.48Å; K372-W478 HydrophobicContact CB-CE3 4.15Å; K372-W478 HydrophobicContact CB-CH2 3.86Å; K372-W478 HydrophobicContact CB-CZ3 3.44Å; K372-W478 VanDerWaalsContact CB-CZ3 3.44Å; K372-W478 HydrophobicContact CD-CZ3 3.81Å; K372-W478 HydrophobicContact CG-CE3 3.9Å; K372-W478 HydrophobicContact CG-CH2 4.26Å; K372-W478 HydrophobicContact CG-CZ3 3.37Å; L475-W478 PolarHBondContact O-N 3.08Å; D476-W478 VanDerWaalsContact C-N 3.26Å; D476-W478 PolarHBondContact O-N 3.06Å; D476-W478 VanDerWaalsContact O-N 3.13Å; W478-D480 PolarHBondContact O-N 3.36Å |
| 479 | V | 54.3 | Low | 63.2 | Low | 98 Ų | 98 | 103.9 Ų | 103.9 | 59% | 0.594 | 54% | 0.538 | S | S | * | . | trans | -75.4 | 101.7 | 162.5 | -178.3 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 480 | D | 44.6 | Very low | 60.8 | Low | 90 Ų | 90 | 106.9 Ų | 106.9 | 48% | 0.481 | 56% | 0.559 | S | S | . | * | trans | -73.5 | 148.6 | -179.4 | -129.9 | -92.6 | 0 | 0 | 0 | 109.6 | W478 K482 | W478-D480 PolarHBondContact O-N 3.36Å; D480-K482 PolarHBondContact O-N 3.22Å | ||
| 481 | D | 46.1 | Very low | 58.4 | Low | 140 Ų | 140 | 110.6 Ų | 110.6 | 75% | 0.749 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | 1.3 | -168.5 | -103.7 | -101.6 | 0 | 0 | 0 | 117.3 | ||
| 482 | K | 45.3 | Very low | 55.8 | Low | 159 Ų | 159 | 113.3 Ų | 113.3 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -80.7 | -24.6 | -166.8 | -65.4 | -166.9 | 173.3 | -174.3 | 0 | 115.3 | D480 | D480-K482 PolarHBondContact O-N 3.22Å |
| 483 | D | 48 | Very low | 53.7 | Low | 118 Ų | 118 | 113.6 Ų | 113.6 | 63% | 0.631 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -81.9 | -16.4 | -177.9 | -67.1 | -46.2 | 0 | 0 | 0 | 113.6 | T487 | D483-T487 PolarHBondContact O-OG1 3.43Å |
| 484 | V | 49.8 | Very low | 51.5 | Low | 102 Ų | 102 | 111.8 Ų | 111.8 | 62% | 0.618 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -84.1 | -29.9 | 177.5 | 179.5 | 0 | 0 | 0 | 0 | 112 | T487 A488 | V484-T487 PolarHBondContact O-OG1 3.18Å; V484-A488 WeakPolarHBondContact O-CB 3.47Å; V484-A488 PolarHBondContact O-N 3.15Å |
| 485 | Q | 41.4 | Very low | 49.4 | Very low | 156 Ų | 156 | 119.3 Ų | 119.3 | 73% | 0.729 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.6 | -23.8 | -176.9 | -161.6 | 128.5 | 73.7 | 0 | 0 | 113.5 | S489 | Q485-S489 PolarHBondContact O-OG 3.35Å |
| 486 | L | 48.4 | Very low | 48.2 | Very low | 144 Ų | 144 | 118.3 Ų | 118.3 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -11.1 | 179.1 | -73.8 | 164.4 | 0 | 0 | 0 | 114 | ||
| 487 | T | 49 | Very low | 47.4 | Very low | 106 Ų | 106 | 119.2 Ų | 119.2 | 65% | 0.65 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -16.7 | 179.8 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | D483 V484 | D483-T487 PolarHBondContact O-OG1 3.43Å; V484-T487 PolarHBondContact O-OG1 3.18Å |
| 488 | A | 50.8 | Low | 46.4 | Very low | 73 Ų | 73 | 123.7 Ų | 123.7 | 60% | 0.603 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -87.1 | -6.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V484 | V484-A488 WeakPolarHBondContact O-CB 3.47Å; V484-A488 PolarHBondContact O-N 3.15Å |
| 489 | S | 47 | Very low | 45.6 | Very low | 97 Ų | 97 | 123.1 Ų | 123.1 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -97.1 | 5.1 | -171.5 | -59.5 | 0 | 0 | 0 | 0 | 115.8 | Q485 | Q485-S489 PolarHBondContact O-OG 3.35Š|
| 490 | T | 45 | Very low | 45 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 77% | 0.767 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -137.3 | 46.8 | -170.8 | -37.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 491 | S | 44.7 | Very low | 45 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | trans | -159.2 | 79 | 170.9 | 47.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 492 | S | 41.8 | Very low | 45.2 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | -110.7 | 101.2 | 169.3 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | V494 | S492-V494 PolarHBondContact O-N 2.9Š| ||
| 493 | P | 47.1 | Very low | 45.1 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -74.8 | 120.9 | 172.5 | -11.9 | 28.5 | 0 | 0 | 0 | 110.1 | ||||
| 494 | V | 43.7 | Very low | 45.1 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | trans | -68 | 137.7 | 163.2 | -76.9 | 0 | 0 | 0 | 0 | 109.9 | S492 | S492-V494 PolarHBondContact O-N 2.9Š| ||
| 495 | H | 43.5 | Very low | 44.7 | Very low | 194 Ų | 194 | 128.3 Ų | 128.3 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | -161.4 | 152.6 | 142.5 | -103.5 | -66.7 | 0 | 0 | 0 | 111.7 | ||||
| 496 | S | 39.5 | Very low | 44.8 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | -91 | 158.1 | -155.2 | -48.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 497 | L | 44.2 | Very low | 44.5 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | 39.4 | 117.4 | 135.5 | -70.9 | 156.7 | 0 | 0 | 0 | 119.7 | ||||
| 498 | E | 39.5 | Very low | 44.2 | Very low | 193 Ų | 193 | 132.6 Ų | 132.6 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | -169.6 | 145.7 | 122.1 | -162.3 | 66.3 | -178.1 | 0 | 0 | 110.5 | |||||
| 499 | G | 43 | Very low | 43.8 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | 108.1 | 68.9 | 153 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 500 | S | 41.9 | Very low | 43.8 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | 50.8 | 129.1 | 136.6 | -57.4 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 501 | P | 45.6 | Very low | 43.7 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -106 | -178.8 | 174.7 | 42.1 | -35.8 | 0 | 0 | 0 | 114.6 | ||||
| 502 | P | 50.7 | Low | 43.7 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -140.4 | 140.3 | 137 | 36.7 | -22.9 | 0 | 0 | 0 | 117 | ||||
| 503 | N | 43 | Very low | 43.7 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | 32.1 | 122.6 | 147.5 | -76.7 | -22.7 | 0 | 0 | 0 | 122.3 | ||||
| 504 | H | 47.5 | Very low | 43.3 | Very low | 186 Ų | 186 | 138.4 Ų | 138.4 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | -158 | 147.9 | 110.6 | 48.8 | -77.3 | 0 | 0 | 0 | 111.7 | |||||
| 505 | S | 40.5 | Very low | 43.2 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -84.3 | 146.9 | -170.7 | -48.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 506 | A | 45.2 | Very low | 42.7 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | 157.3 | 140.6 | 98 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 507 | R | 41 | Very low | 42.7 | Very low | 241 Ų | 241 | 138.4 Ų | 138.4 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | 72.4 | 130.7 | 148.5 | -146.9 | 170.7 | -169.1 | 170 | 2.5 | 118.3 | ||||
| 508 | M | 43.3 | Very low | 42.3 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | cis | 168.8 | 145.1 | -24.8 | -98.1 | -85.3 | 159.1 | 0 | 0 | 106.1 | ||||
| 509 | S | 42.9 | Very low | 42.2 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | 111.7 | 93.9 | 170.8 | -64.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 510 | T | 45.6 | Very low | 41.8 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | 80.1 | 97.6 | 57.5 | 67.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 511 | H | 44.2 | Very low | 41.7 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | trans | -176.6 | 86.3 | 138.3 | -167.7 | -68 | 0 | 0 | 0 | 108.1 | ||||
| 512 | M | 43.2 | Very low | 41.5 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | 48.4 | 108.1 | 103.6 | -51.5 | -50.6 | 178.8 | 0 | 0 | 113.1 | |||||
| 513 | G | 41.7 | Very low | 40.9 | Very low | 69 Ų | 69 | 141.5 Ų | 141.5 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | 90.3 | 149.5 | 93.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 514 | D | 38.8 | Very low | 40.8 | Very low | 131 Ų | 131 | 138 Ų | 138 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | cis | -165.1 | 167.6 | -10.9 | -138.4 | -43.8 | 0 | 0 | 0 | 110 | ||||
| 515 | H | 41.9 | Very low | 40.5 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | trans | 68.5 | 131.9 | 159.1 | -54.8 | -25.9 | 0 | 0 | 0 | 122.2 | ||||
| 516 | C | 34.3 | Very low | 40.4 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -79 | -175.2 | 170 | -57.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 517 | V | 38.1 | Very low | 40.5 | Very low | 131 Ų | 131 | 138 Ų | 138 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 116.6 | 108.8 | 146.9 | -177.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 518 | V | 37.3 | Very low | 41.1 | Very low | 112 Ų | 112 | 132 Ų | 132 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | trans | 94.7 | 122.8 | 139.6 | 157 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 519 | R | 35.9 | Very low | 40.9 | Very low | 222 Ų | 222 | 132.3 Ų | 132.3 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | 70.7 | 132.8 | 146.7 | -80.8 | 171 | -178 | 154.9 | -3.7 | 123.1 | ||||
| 520 | S | 35.6 | Very low | 40.8 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | 20.2 | 136.7 | 135.1 | -43 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 521 | A | 39.1 | Very low | 40.5 | Very low | 85 Ų | 85 | 132 Ų | 132 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | cis | -177.8 | 159.3 | 48.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 522 | H | 41.3 | Very low | 40.4 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | trans | 76.6 | 151.9 | 141.7 | -100.6 | -96 | 0 | 0 | 0 | 124.4 | ||||
| 523 | D | 39 | Very low | 40.3 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | trans | 73 | 141.1 | 163.8 | -54.8 | -29.2 | 0 | 0 | 0 | 120.4 | ||||
| 524 | A | 40 | Very low | 40.4 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 65% | 0.653 | 75% | 0.754 | S | S | * | * | cis | 171.8 | 178.9 | -27.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 525 | I | 41.4 | Very low | 40.6 | Very low | 163 Ų | 163 | 132.1 Ų | 132.1 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | trans | 84.7 | 127.9 | 169.1 | -56.5 | 164.5 | 0 | 0 | 0 | 114.5 | ||||
| 526 | T | 38.9 | Very low | 40.6 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | cis | -167.7 | 111.2 | -6.1 | -93.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 527 | T | 47.6 | Very low | 41 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | 44.4 | 166.2 | 126.7 | 63.7 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 528 | P | 53.3 | Low | 41 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | cis | -147.9 | -161.5 | -40.2 | 43.2 | -24.2 | 0 | 0 | 0 | 115.7 | ||||
| 529 | H | 37.9 | Very low | 40.9 | Very low | 172 Ų | 172 | 129.9 Ų | 129.9 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | 93 | 132.8 | 159.4 | -139 | -124.8 | 0 | 0 | 0 | 115.6 | ||||
| 530 | L | 42.2 | Very low | 40.9 | Very low | 140 Ų | 140 | 125.8 Ų | 125.8 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | cis | -144.4 | 142.5 | 19.7 | -158.8 | 163.4 | 0 | 0 | 0 | 110.5 | ||||
| 531 | A | 39.9 | Very low | 40.8 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 66% | 0.661 | 74% | 0.736 | S | S | * | * | trans | -83.6 | 156.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 532 | E | 41.6 | Very low | 40.8 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | -179.9 | 113.2 | 130.1 | -97.9 | 175.4 | 127.4 | 0 | 0 | 108.3 | ||||
| 533 | S | 41.2 | Very low | 40.8 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | 76.5 | 122.9 | 94.9 | -175.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 534 | M | 44.1 | Very low | 40.7 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 80% | 0.798 | 74% | 0.735 | S | S | * | * | cis | -164.2 | 150.5 | 4.9 | -115.5 | 173.3 | 73 | 0 | 0 | 110.2 | ||||
| 535 | S | 42.5 | Very low | 40.3 | Very low | 86 Ų | 86 | 129.4 Ų | 129.4 | 60% | 0.601 | 73% | 0.733 | S | S | * | * | trans | 38 | 139.5 | 146.9 | 61.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 536 | D | 40.8 | Very low | 40.2 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | cis | -168.3 | 153.9 | 0.9 | -122.3 | -64.2 | 0 | 0 | 0 | 111.4 | ||||
| 537 | S | 43.9 | Very low | 39.9 | Very low | 96 Ų | 96 | 122.1 Ų | 122.1 | 67% | 0.671 | 69% | 0.693 | S | S | * | * | trans | 35.8 | 141.6 | 131.6 | -63.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 538 | V | 36.7 | Very low | 39.5 | Very low | 117 Ų | 117 | 120 Ų | 120 | 71% | 0.709 | 69% | 0.688 | S | S | * | * | cis | -168.4 | 145.8 | 10.2 | 109.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 539 | L | 35.6 | Very low | 38.6 | Very low | 137 Ų | 137 | 118.8 Ų | 118.8 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | trans | 47.4 | 130.6 | 153.9 | -68 | 160.7 | 0 | 0 | 0 | 124.3 | ||||
| 540 | N | 35.6 | Very low | 38.8 | Very low | 136 Ų | 136 | 116.3 Ų | 116.3 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | 28.5 | 135.8 | 127.5 | -63.1 | -6.9 | 0 | 0 | 0 | 119.3 | |||||
| 541 | R | 34.5 | Very low | 38.6 | Very low | 237 Ų | 237 | 115.4 Ų | 115.4 | 89% | 0.894 | 67% | 0.674 | S | S | * | * | -166.2 | 157.3 | 54.7 | -158 | 178.5 | -72.8 | -154.9 | -1.8 | 112.3 | |||||
| 542 | I | 38.6 | Very low | 38.4 | Very low | 155 Ų | 155 | 116.9 Ų | 116.9 | 80% | 0.795 | 68% | 0.679 | S | S | * | * | trans | -101.2 | 166 | -173.3 | -52.5 | 166.3 | 0 | 0 | 0 | 109.3 | ||||
| 543 | P | 41.7 | Very low | 38.4 | Very low | 126 Ų | 126 | 115.3 Ų | 115.3 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | cis | -129.2 | -169.4 | -42.3 | 40.9 | -24.4 | 0 | 0 | 0 | 114 | ||||
| 544 | G | 37 | Very low | 38.3 | Very low | 59 Ų | 59 | 118.5 Ų | 118.5 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | trans | 127.7 | 108.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 545 | C | 31.3 | Very low | 38.1 | Very low | 90 Ų | 90 | 117.7 Ų | 117.7 | 61% | 0.608 | 69% | 0.685 | S | S | * | * | 96 | 138.4 | 72.1 | 65.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 546 | H | 38.6 | Very low | 38.1 | Very low | 68 Ų | 68 | 119.4 Ų | 119.4 | 32% | 0.315 | 70% | 0.697 | S | S | . | * | trans | 73.7 | 122.8 | 178.7 | -46.1 | -85.1 | 0 | 0 | 0 | 115.3 | N34 F35 D36 | N34-H546 WeakPolarHBondContact CB-ND1 3.33Å; N34-H546 PolarHBondContact ND2-CE1 3.18Å; N34-H546 PolarHBondContact ND2-ND1 3.24Å; N34-H546 PolarHBondContact ND2-NE2 3.09Å; N34-H546 PolarHBondContact O-ND1 3.42Å; F35-H546 PolarHBondContact O-CE1 3.33Å; D36-H546 VanDerWaalsContact CA-CE1 3.47Å; D36-H546 WeakPolarHBondContact CA-CE1 3.43Å; D36-H546 WeakPolarHBondContact CB-CE1 3.29Å; D36-H546 WeakPolarHBondContact CB-NE2 3.18Å; D36-H546 VanDerWaalsContact CG-NE2 3.3Å; D36-H546 PolarHBondContact N-CE1 2.87Å; D36-H546 PolarHBondContact N-ND1 3.39Å; D36-H546 VanDerWaalsContact N-ND1 3.18Å; D36-H546 IonicContact OD2-CD2 3.79Å; D36-H546 PolarHBondContact OD2-CD2 3.2Å; D36-H546 IonicContact OD2-CE1 2.69Å; D36-H546 IonicContact OD2-NE2 2.95Å; D36-H546 PolarHBondContact OD2-NE2 3.5Å; D36-H546 VanDerWaalsContact OD2-NE2 3.09Å | ||
| 547 | S | 33.4 | Very low | 38.2 | Very low | 49 Ų | 49 | 118.1 Ų | 118.1 | 34% | 0.343 | 70% | 0.698 | S | S | . | * | cis | 89.4 | 121.6 | 40.7 | -60.6 | 0 | 0 | 0 | 0 | 113.3 | N32 N34 | N32-S547 VanDerWaalsContact O-CB 3.29Å; N32-S547 WeakPolarHBondContact O-CB 3.09Å; N32-S547 PolarHBondContact O-OG 3.09Å; N34-S547 WeakPolarHBondContact CA-OG 3.49Å; N34-S547 WeakPolarHBondContact CB-OG 3.32Å; N34-S547 PolarHBondContact N-OG 3.08Å; N34-S547 WeakPolarHBondContact O-CB 3.07Å; N34-S547 PolarHBondContact O-OG 3.2Å | ||
| 548 | A | 38.8 | Very low | 38.2 | Very low | 77 Ų | 77 | 119 Ų | 119 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | trans | 153.8 | 58.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | Q33 | Q33-A548 VanDerWaalsContact NE2-N 3.14Š| ||
| 549 | I | 35.6 | Very low | 38.8 | Very low | 88 Ų | 88 | 119.5 Ų | 119.5 | 45% | 0.451 | 71% | 0.71 | S | S | . | * | trans | -63.9 | 150.5 | 159.9 | -13.6 | 174.9 | 0 | 0 | 0 | 111 | D31 | D31-I549 HydrophobicContact CB-CD1 3.47Å; D31-I549 VanDerWaalsContact CB-CD1 3.47Å; D31-I549 HydrophobicContact CB-CG1 3.86Å; D31-I549 WeakPolarHBondContact OD1-CG1 3.47Å | ||
| 550 | P | 40.3 | Very low | 39.4 | Very low | 119 Ų | 119 | 117 Ų | 117 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | -139.5 | 150.6 | 94.4 | 23.8 | -3.1 | 0 | 0 | 0 | 117.4 | |||||
| 551 | T | 38.9 | Very low | 40 | Very low | 121 Ų | 121 | 116.3 Ų | 116.3 | 74% | 0.742 | 71% | 0.712 | S | S | * | * | trans | -11.4 | 140.9 | 162.6 | 43.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 552 | S | 36.6 | Very low | 40.9 | Very low | 111 Ų | 111 | 110.9 Ų | 110.9 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | trans | 81.3 | 108.4 | 134.2 | -65.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 553 | V | 41.5 | Very low | 40.8 | Very low | 153 Ų | 153 | 108.7 Ų | 108.7 | 93% | 0.927 | 71% | 0.706 | S | S | * | * | -152.9 | 156.9 | 121.7 | -102.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 554 | E | 38.8 | Very low | 41.1 | Very low | 164 Ų | 164 | 110.6 Ų | 110.6 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | trans | -50.2 | 158.5 | -164.3 | -89.1 | 171 | 83.9 | 0 | 0 | 125 | ||||
| 555 | L | 40.4 | Very low | 41.4 | Very low | 146 Ų | 146 | 113.9 Ų | 113.9 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | trans | 66.4 | 110.1 | 140.3 | -68.7 | 167.3 | 0 | 0 | 0 | 122.4 | ||||
| 556 | S | 42.6 | Very low | 42.3 | Very low | 122 Ų | 122 | 115.6 Ų | 115.6 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | 170 | 167.1 | 91.2 | -162.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 557 | S | 41.3 | Very low | 42.5 | Very low | 109 Ų | 109 | 119.7 Ų | 119.7 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | trans | -122.9 | 143.3 | -151.2 | -55.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 558 | S | 44.4 | Very low | 42.9 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | 70.1 | 159.1 | 155 | -115.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 559 | P | 50 | Low | 42.9 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | cis | -136.4 | 174 | 48.6 | 37.6 | -17.8 | 0 | 0 | 0 | 117.9 | ||||
| 560 | A | 46.7 | Very low | 43 | Very low | 85 Ų | 85 | 128.4 Ų | 128.4 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 161.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 561 | P | 49.1 | Very low | 42.7 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 159.3 | -175.8 | 32.6 | -35.7 | 0 | 0 | 0 | 114.4 | ||
| 562 | P | 53.4 | Low | 42.7 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 151.5 | -162.5 | 34.3 | -36.8 | 0 | 0 | 0 | 115.4 | ||
| 563 | S | 37.2 | Very low | 42.6 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -97 | 142.7 | 163.8 | -176.6 | 0 | 0 | 0 | 0 | 110 | ||
| 564 | L | 47.1 | Very low | 42.5 | Very low | 166 Ų | 166 | 128.8 Ų | 128.8 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -112.6 | 114.4 | 175.9 | -74.1 | 173.8 | 0 | 0 | 0 | 111 | ||||
| 565 | T | 42.9 | Very low | 42.6 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -118.8 | 143.1 | 163.8 | 49.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 566 | P | 50.3 | Low | 42.1 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -141.7 | 163.3 | 135.2 | 37.2 | -24.9 | 0 | 0 | 0 | 111.7 | ||||
| 567 | D | 43 | Very low | 41.9 | Very low | 153 Ų | 153 | 128 Ų | 128 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | cis | -167.8 | 141.2 | -29.7 | -155.1 | 1.6 | 0 | 0 | 0 | 103.9 | ||||
| 568 | P | 41.7 | Very low | 41.5 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | trans | -93.6 | 170.7 | -173.4 | 35.2 | -30.6 | 0 | 0 | 0 | 113.8 | ||||
| 569 | S | 38.2 | Very low | 41.2 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | 83.5 | 113.5 | 173.3 | 80.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 570 | L | 39.1 | Very low | 40.3 | Very low | 176 Ų | 176 | 132.4 Ų | 132.4 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | -148.6 | 155 | 104.8 | -93.4 | -180 | 0 | 0 | 0 | 108.8 | |||||
| 571 | S | 33.4 | Very low | 39.8 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | -107 | 175.1 | -163.8 | 64 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 572 | M | 39.5 | Very low | 39.1 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | 104.4 | 138.8 | 168.3 | -58.2 | -66.3 | 115.3 | 0 | 0 | 115.5 | ||||
| 573 | N | 34.7 | Very low | 37.9 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | cis | -164.3 | 160.8 | -37.9 | -138.8 | -9.9 | 0 | 0 | 0 | 108.9 | ||||
| 574 | H | 39.1 | Very low | 37.6 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | trans | 70.4 | 109.2 | 162.7 | -66.1 | -59.9 | 0 | 0 | 0 | 121.7 | ||||
| 575 | S | 39.5 | Very low | 36.9 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | 94.3 | 105.4 | 124.7 | -58 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 576 | E | 31.7 | Very low | 36.4 | Very low | 179 Ų | 179 | 134.4 Ų | 134.4 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | 32 | 121.7 | 132 | -64.2 | 172.3 | 83.6 | 0 | 0 | 119.7 | ||||
| 577 | V | 37.4 | Very low | 35.6 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | -167.6 | 152.6 | 93.9 | 149.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 578 | H | 33.6 | Very low | 35.4 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | trans | -58.1 | 151.9 | -174.5 | -97 | 155.4 | 0 | 0 | 0 | 117.7 | ||||
| 579 | L | 36.5 | Very low | 35.3 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | trans | 45.1 | 136.3 | 133.6 | -55.9 | 164.1 | 0 | 0 | 0 | 118.2 | ||||
| 580 | N | 33.1 | Very low | 35.2 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | cis | -174 | 169.7 | 33.7 | -148.2 | -7.6 | 0 | 0 | 0 | 111.2 | ||||
| 581 | A | 35.8 | Very low | 34.9 | Very low | 86 Ų | 86 | 140 Ų | 140 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 75.8 | 159.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 582 | P | 33.2 | Very low | 34.7 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -126.2 | 152.2 | -131.4 | 40.4 | -27 | 0 | 0 | 0 | 116.3 | ||||
| 583 | C | 29.7 | Very low | 34.3 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | trans | -124.2 | 130.2 | 174.4 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 584 | L | 29.5 | Very low | 34.2 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 147.9 | 167.5 | -69.8 | 159.2 | 0 | 0 | 0 | 110.2 | ||
| 585 | V | 33 | Very low | 33.6 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 127.6 | 168 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | ||
| 586 | S | 31.9 | Very low | 33.2 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 147.1 | -176.6 | -169.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 587 | E | 35.1 | Very low | 33.2 | Very low | 187 Ų | 187 | 142.3 Ų | 142.3 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 159.4 | 156.1 | -73.5 | 171.7 | 77.1 | 0 | 0 | 110.7 | ||
| 588 | D | 38.2 | Very low | 33 | Very low | 159 Ų | 159 | 139 Ų | 139 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 157.9 | -178 | -156.2 | -70.7 | 0 | 0 | 0 | 112.1 | ||
| 589 | A | 38.6 | Very low | 33 | Very low | 63 Ų | 63 | 138.1 Ų | 138.1 | 52% | 0.521 | 80% | 0.803 | S | S | . | * | trans | 76.9 | 93.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 590 | R | 36.2 | Very low | 32.8 | Very low | 223 Ų | 223 | 135.9 Ų | 135.9 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | 81.9 | 95.3 | 128.8 | -57.7 | 163.3 | -163.7 | -179.9 | 4.6 | 119.5 | |||||
| 591 | N | 34.4 | Very low | 32.7 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | -170.9 | 144.4 | 94.8 | -93.7 | -8.3 | 0 | 0 | 0 | 112.8 | |||||
| 592 | T | 28.3 | Very low | 32.7 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -94.1 | 152.3 | -160.6 | -34 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 593 | L | 30.7 | Very low | 32.8 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | 175.1 | 114.5 | 120.6 | -89.6 | 168.7 | 0 | 0 | 0 | 114.5 | |||||
| 594 | L | 32 | Very low | 33.1 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | 69.5 | 135.6 | 144.1 | -62.2 | 173.2 | 0 | 0 | 0 | 123.2 | ||||
| 595 | L | 26.6 | Very low | 33.4 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | -94.8 | 159.7 | 179.4 | -62 | 73.9 | 0 | 0 | 0 | 111.8 | ||||
| 596 | S | 31.9 | Very low | 33.4 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | -158.8 | 147.2 | 125.1 | -116.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 597 | S | 31.1 | Very low | 33.3 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -89.4 | 168.2 | -170.3 | -49.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 598 | G | 34 | Very low | 32.8 | Very low | 72 Ų | 72 | 139 Ų | 139 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 171.1 | 79.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 599 | D | 33 | Very low | 32.5 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | 24 | 119.3 | 155.6 | -74.9 | -70.3 | 0 | 0 | 0 | 124.9 | ||||
| 600 | S | 32.3 | Very low | 32 | Very low | 87 Ų | 87 | 141.1 Ų | 141.1 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | 41.4 | 116.5 | 107.1 | -40 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 601 | N | 32.1 | Very low | 31.6 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | 165.4 | 159.3 | 111.7 | -88.8 | -58.5 | 0 | 0 | 0 | 115.7 | |||||
| 602 | L | 35.3 | Very low | 31.2 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | 82.1 | 92.4 | 161.5 | -63.4 | 170.1 | 0 | 0 | 0 | 122.3 | ||||
| 603 | L | 34.5 | Very low | 31.2 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | 63.9 | 160.4 | 110.2 | -90.1 | 163.8 | 0 | 0 | 0 | 121.2 | |||||
| 604 | P | 36.5 | Very low | 31.1 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | -120.1 | 170.5 | -104.2 | 42.8 | -31.3 | 0 | 0 | 0 | 115.7 | |||||
| 605 | S | 35.8 | Very low | 30.8 | Very low | 117 Ų | 117 | 129 Ų | 129 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -154.8 | 104.2 | 163.4 | -80.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 606 | Q | 33.1 | Very low | 30.9 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | 51.2 | 144 | 139.4 | -63.3 | -145.1 | -15.9 | 0 | 0 | 124.8 | ||||
| 607 | L | 29.1 | Very low | 30.6 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | 79.3 | 76.7 | 158.4 | -67.3 | 169 | 0 | 0 | 0 | 120 | ||||
| 608 | L | 26 | Very low | 30.4 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -153.6 | 125 | 135.7 | -160.4 | 67.5 | 0 | 0 | 0 | 112.8 | ||||
| 609 | S | 30.9 | Very low | 30 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -155.3 | 107.4 | 168.9 | 52.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 610 | H | 28.5 | Very low | 29.6 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | 75.6 | 143.3 | 67.8 | -76.4 | -71.6 | 0 | 0 | 0 | 114.8 | |||||
| 611 | L | 27 | Very low | 29.3 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | 92 | 133.6 | 177.5 | -57.2 | 156.2 | 0 | 0 | 0 | 114.5 | ||||
| 612 | V | 25.9 | Very low | 29.3 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | cis | 142.6 | 158.6 | -3.4 | 150.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 613 | V | 29.7 | Very low | 29.1 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | 75.2 | 138.6 | -171.6 | -164.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 614 | G | 27.6 | Very low | 28.8 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | cis | 126.1 | 141.1 | 15.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 615 | G | 25.7 | Very low | 28.7 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -77.9 | -171.5 | -158.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 616 | Q | 29.8 | Very low | 28.4 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | 94.8 | 116.5 | 176.4 | -56 | 169 | 34.7 | 0 | 0 | 116.4 | ||||
| 617 | N | 25.1 | Very low | 29 | Very low | 167 Ų | 167 | 134.1 Ų | 134.1 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | 31.1 | 103.6 | 144 | -54.3 | -15.2 | 0 | 0 | 0 | 118.4 | ||||
| 618 | A | 26.1 | Very low | 29.2 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -126.6 | 103.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 619 | M | 25.7 | Very low | 29.8 | Very low | 168 Ų | 168 | 130.2 Ų | 130.2 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | trans | -65.7 | 126.6 | 161.7 | -76.4 | 169.1 | 55.2 | 0 | 0 | 109 | V621 | M619-V621 HydrophobicContact CB-CG2 4.22Å; M619-V621 HydrophobicContact CE-CG2 3.65Å; M619-V621 PolarHBondContact O-N 2.87Å | ||
| 620 | L | 25.1 | Very low | 30.1 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -90.2 | 78.4 | 171.5 | -147.4 | 156.3 | 0 | 0 | 0 | 109.3 | T622 | L620-T622 HydrophobicContact CD2-CG2 4.34Å; L620-T622 PolarHBondContact O-N 3.49Å | ||
| 621 | V | 26.8 | Very low | 30.7 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 56% | 0.558 | 78% | 0.776 | S | S | * | * | trans | -77.4 | 113.9 | 169.4 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | M619 Q623 | M619-V621 HydrophobicContact CB-CG2 4.22Å; M619-V621 HydrophobicContact CE-CG2 3.65Å; M619-V621 PolarHBondContact O-N 2.87Å; V621-Q623 VanDerWaalsContact C-N 3.32Å; V621-Q623 HydrophobicContact CG1-CG 4.23Å; V621-Q623 PolarHBondContact O-N 2.52Å | ||
| 622 | T | 30.4 | Very low | 31.1 | Very low | 125 Ų | 125 | 130 Ų | 130 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -70.8 | 89.1 | 166.9 | 46.5 | 0 | 0 | 0 | 0 | 109.4 | L620 N624 | L620-T622 HydrophobicContact CD2-CG2 4.34Å; L620-T622 PolarHBondContact O-N 3.49Å; T622-N624 PolarHBondContact O-N 3.31Å | ||
| 623 | Q | 31.4 | Very low | 31.6 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | trans | -66.9 | 114.2 | 172.3 | -83.9 | -173.4 | -46.5 | 0 | 0 | 110.5 | V621 V625 | V621-Q623 VanDerWaalsContact C-N 3.32Å; V621-Q623 HydrophobicContact CG1-CG 4.23Å; V621-Q623 PolarHBondContact O-N 2.52Å; Q623-V625 PolarHBondContact O-N 2.79Å | ||
| 624 | N | 29.2 | Very low | 31.9 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | -78.5 | 101.7 | 172 | -152.5 | 38.2 | 0 | 0 | 0 | 108.8 | T622 S626 | T622-N624 PolarHBondContact O-N 3.31Å; N624-S626 PolarHBondContact O-N 3.18Å | ||
| 625 | V | 34.3 | Very low | 32.2 | Very low | 127 Ų | 127 | 135 Ų | 135 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -81.4 | 109.8 | 179.3 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | Q623 | Q623-V625 PolarHBondContact O-N 2.79Š| ||
| 626 | S | 28.1 | Very low | 32.7 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | trans | -97.3 | 129.1 | 173.5 | 178.7 | 0 | 0 | 0 | 0 | 111 | N624 | N624-S626 PolarHBondContact O-N 3.18Š| ||
| 627 | P | 46.8 | Very low | 33 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -96.2 | 101.9 | 158.8 | 32.7 | -24.5 | 0 | 0 | 0 | 109.9 | ||||
| 628 | N | 33.1 | Very low | 33.5 | Very low | 166 Ų | 166 | 131 Ų | 131 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | trans | -78 | 130.8 | 166.6 | -134.9 | -4.2 | 0 | 0 | 0 | 108.3 | ||||
| 629 | G | 39.7 | Very low | 33.9 | Very low | 67 Ų | 67 | 133.8 Ų | 133.8 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | trans | -172.4 | 33 | -164.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 630 | D | 36.7 | Very low | 34.1 | Very low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | trans | 57.8 | 130.5 | 145.6 | -109.8 | -15.5 | 0 | 0 | 0 | 122.4 | ||||
| 631 | K | 40.9 | Very low | 34.5 | Very low | 160 Ų | 160 | 128.8 Ų | 128.8 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | trans | 80.6 | 109 | 146.6 | -65.9 | 153.4 | -173.9 | 144.7 | 0 | 120.5 | ||||
| 632 | N | 35.3 | Very low | 34.5 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | 109.1 | 119.2 | 119.9 | -83.1 | -17.2 | 0 | 0 | 0 | 120.5 | |||||
| 633 | I | 36.4 | Very low | 34.3 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | trans | 86.6 | 92.6 | 134.7 | -63.3 | 167.8 | 0 | 0 | 0 | 117.6 | ||||
| 634 | M | 36 | Very low | 34.4 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | 75.3 | 115.3 | 126.6 | -64.5 | -178.9 | 75.9 | 0 | 0 | 122.1 | |||||
| 635 | H | 34.7 | Very low | 34.3 | Very low | 159 Ų | 159 | 126 Ų | 126 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | 87.5 | 143.5 | 123.3 | -79 | -138.3 | 0 | 0 | 0 | 121.6 | |||||
| 636 | S | 35.3 | Very low | 34.2 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | 80.9 | 94.6 | 154.3 | 9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 637 | T | 36.3 | Very low | 34.3 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | 56.8 | 133.4 | 121.6 | 52.4 | 0 | 0 | 0 | 0 | 122 | |||||
| 638 | P | 35.7 | Very low | 33.5 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -90.7 | 142 | 175.9 | 36.5 | -33 | 0 | 0 | 0 | 113.2 | ||||
| 639 | L | 34.4 | Very low | 33.7 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -156.1 | 124.1 | 165 | -101.9 | 126.7 | 0 | 0 | 0 | 113.9 | ||||
| 640 | S | 30.1 | Very low | 33.3 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 10.9 | 117.3 | 140.3 | -46.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 641 | S | 33.4 | Very low | 33.2 | Very low | 113 Ų | 113 | 126 Ų | 126 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -175.7 | 124 | 141.2 | 38 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 642 | S | 27.2 | Very low | 33.1 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | 71.2 | 123.6 | 53.4 | -175.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 643 | C | 24.8 | Very low | 33.1 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | 57.4 | 148.1 | 171.4 | 67.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 644 | V | 33.4 | Very low | 33 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | cis | -152.3 | 165.2 | 41.9 | -77.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 645 | T | 27.2 | Very low | 33 | Very low | 132 Ų | 132 | 124 Ų | 124 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -83.3 | 140.7 | 174.5 | 50.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 646 | S | 33.2 | Very low | 33.1 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -159.6 | 126.2 | 147.3 | 48.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 647 | S | 30 | Very low | 32.8 | Very low | 118 Ų | 118 | 127 Ų | 127 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | cis | 78.5 | 99.9 | 41.8 | -59.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 648 | G | 30.6 | Very low | 32.7 | Very low | 76 Ų | 76 | 125.5 Ų | 125.5 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | 97.9 | 114.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 649 | L | 35.6 | Very low | 32.6 | Very low | 184 Ų | 184 | 127.5 Ų | 127.5 | 96% | 0.963 | 79% | 0.786 | S | S | * | * | -161.2 | 128.9 | 109.1 | -102 | 167.3 | 0 | 0 | 0 | 110.2 | |||||
| 650 | S | 32.2 | Very low | 32.6 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -108.3 | 170.5 | -177.9 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 651 | T | 34.6 | Very low | 33 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | trans | 86.8 | 93.9 | 153.5 | -45 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 652 | I | 39.7 | Very low | 33.3 | Very low | 168 Ų | 168 | 126.9 Ų | 126.9 | 86% | 0.862 | 78% | 0.78 | S | S | * | * | -156.5 | 103.1 | 126.1 | -36.5 | 179.5 | 0 | 0 | 0 | 105 | |||||
| 653 | K | 33.6 | Very low | 34.5 | Very low | 178 Ų | 178 | 128.3 Ų | 128.3 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | 63.5 | 127.6 | 61.8 | -158 | 169.9 | 177.7 | 66.9 | 0 | 111.9 | |||||
| 654 | S | 35.3 | Very low | 34.7 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | cis | -160.5 | 162.8 | 8.2 | -128.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 655 | A | 36.2 | Very low | 34.8 | Very low | 91 Ų | 91 | 128.7 Ų | 128.7 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | 69.6 | 143.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 656 | L | 36.2 | Very low | 35.2 | Very low | 169 Ų | 169 | 127 Ų | 127 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | cis | -119.1 | 142.4 | 1.1 | -81.4 | 92.3 | 0 | 0 | 0 | 112.5 | ||||
| 657 | D | 29.1 | Very low | 35.4 | Very low | 151 Ų | 151 | 126.9 Ų | 126.9 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | -101 | 134.5 | 156.9 | 174.9 | -85 | 0 | 0 | 0 | 107.7 | ||||
| 658 | S | 33.1 | Very low | 35.8 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | trans | 177.6 | 129 | 158 | -88.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 659 | L | 34.2 | Very low | 35.9 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | 68.6 | 102.4 | 158.9 | -51.6 | 170.2 | 0 | 0 | 0 | 115.3 | ||||
| 660 | C | 35.1 | Very low | 36 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | 62.6 | 130.6 | 53.8 | -65.3 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 661 | D | 37.5 | Very low | 36.4 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | 76.2 | 135.2 | 161.8 | -70 | -68.5 | 0 | 0 | 0 | 122 | ||||
| 662 | P | 39.9 | Very low | 37.3 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | trans | -90.6 | 145.9 | 176.8 | 36.8 | -33.5 | 0 | 0 | 0 | 111.9 | ||||
| 663 | P | 51.9 | Low | 37.6 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | -80.6 | 126.6 | 176.6 | 31.2 | -32.4 | 0 | 0 | 0 | 111.8 | ||||
| 664 | S | 30.6 | Very low | 37.9 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | -126.9 | 159.7 | 158 | 73.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 665 | L | 33.9 | Very low | 38.4 | Very low | 158 Ų | 158 | 127.1 Ų | 127.1 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | 69.9 | 143.1 | -179.7 | -49.4 | 173.2 | 0 | 0 | 0 | 113.4 | ||||
| 666 | S | 35.7 | Very low | 38.7 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | cis | -158.8 | 158.3 | -9.9 | -91.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 667 | P | 38.7 | Very low | 38.9 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | trans | -81.6 | 138.8 | 169 | 33.5 | -31.6 | 0 | 0 | 0 | 110.7 | ||||
| 668 | H | 37.9 | Very low | 39.3 | Very low | 174 Ų | 174 | 127.3 Ų | 127.3 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | -179.8 | 120.4 | 140.5 | -99.7 | -59.4 | 0 | 0 | 0 | 113.7 | ||||
| 669 | S | 32.6 | Very low | 39.7 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | 61.9 | 163.5 | 154.7 | 46.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 670 | H | 37.6 | Very low | 40.1 | Very low | 168 Ų | 168 | 130 Ų | 130 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | cis | -144.3 | 156.6 | 23.3 | -46.7 | -100.9 | 0 | 0 | 0 | 111.7 | ||||
| 671 | L | 40.5 | Very low | 40.2 | Very low | 157 Ų | 157 | 130.4 Ų | 130.4 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -72.9 | 163.5 | 177.4 | -121.2 | 80.8 | 0 | 0 | 0 | 113.3 | ||||
| 672 | P | 53.1 | Low | 40.3 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | -128.5 | 162.1 | 125.8 | 37.1 | -30 | 0 | 0 | 0 | 113.7 | |||||
| 673 | P | 46.1 | Very low | 40.5 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | trans | -119.8 | 165.6 | -163 | 41.3 | -30.3 | 0 | 0 | 0 | 116.9 | ||||
| 674 | A | 40.2 | Very low | 39.9 | Very low | 94 Ų | 94 | 131 Ų | 131 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | trans | 70.5 | 159.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 675 | P | 45.8 | Very low | 40.6 | Very low | 126 Ų | 126 | 134 Ų | 134 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | cis | -130.2 | -166.6 | 20.8 | 41.5 | -22.2 | 0 | 0 | 0 | 117.6 | ||||
| 676 | V | 42.1 | Very low | 40.9 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -93.8 | 158.5 | -156.5 | -69.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 677 | E | 41.2 | Very low | 41 | Very low | 189 Ų | 189 | 138.9 Ų | 138.9 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -175.3 | 105.7 | 135.9 | -101.8 | 176.2 | 160.6 | 0 | 0 | 107.8 | ||||
| 678 | S | 38.2 | Very low | 40.9 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | 76 | 93.6 | 70.8 | -70.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 679 | L | 40.8 | Very low | 40.9 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -171.6 | 115.7 | 136.4 | -102.4 | 147 | 0 | 0 | 0 | 113.3 | ||||
| 680 | H | 42.8 | Very low | 41.2 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | 16 | 145.7 | 135.6 | -52.6 | 95.9 | 0 | 0 | 0 | 119.7 | ||||
| 681 | N | 36.6 | Very low | 41.3 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 65% | 0.647 | 78% | 0.776 | S | S | * | * | cis | -167.4 | 142.9 | 18.3 | -124 | 2.6 | 0 | 0 | 0 | 113.3 | ||||
| 682 | I | 41.1 | Very low | 41.1 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | 53.2 | 110.5 | 129.7 | -62.8 | 174.3 | 0 | 0 | 0 | 121 | |||||
| 683 | H | 42.2 | Very low | 40.3 | Very low | 163 Ų | 163 | 142 Ų | 142 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | 152 | 126.2 | 104.5 | -129.1 | 106.6 | 0 | 0 | 0 | 113.4 | |||||
| 684 | P | 39.9 | Very low | 40 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -109.2 | 149.6 | 170.7 | 37.6 | -29.6 | 0 | 0 | 0 | 113.5 | ||||
| 685 | I | 45.1 | Very low | 39.9 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -141.8 | 122 | 169.8 | -57.3 | 179.7 | 0 | 0 | 0 | 110.7 | ||||
| 686 | P | 39.8 | Very low | 39.5 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -117.7 | 139.5 | 167.2 | 36.7 | -26.4 | 0 | 0 | 0 | 113.5 | ||||
| 687 | R | 38.8 | Very low | 39.1 | Very low | 246 Ų | 246 | 142.5 Ų | 142.5 | 93% | 0.928 | 76% | 0.759 | S | S | * | * | trans | -177 | 122.6 | 158.6 | -101.6 | 153.9 | -178.5 | 156.4 | 1.8 | 106.8 | ||||
| 688 | S | 35.8 | Very low | 38.7 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | 100.8 | 149.8 | 55.6 | -172 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 689 | M | 39.7 | Very low | 38.4 | Very low | 182 Ų | 182 | 141.5 Ų | 141.5 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | trans | 77.8 | 112.2 | -170.9 | -49.8 | -169 | -170.9 | 0 | 0 | 114.3 | ||||
| 690 | A | 37.8 | Very low | 38.1 | Very low | 91 Ų | 91 | 138 Ų | 138 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | cis | 107.6 | 95.6 | 20.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 691 | H | 40.9 | Very low | 37.7 | Very low | 187 Ų | 187 | 134.9 Ų | 134.9 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | trans | -141.3 | 111.9 | 150.8 | -74.9 | -90.7 | 0 | 0 | 0 | 105.2 | ||||
| 692 | R | 34.8 | Very low | 37.7 | Very low | 233 Ų | 233 | 136.8 Ų | 136.8 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | 53.9 | 118.4 | 85.4 | -138.9 | 175.3 | -161.8 | -106.3 | 4.7 | 110.3 | |||||
| 693 | S | 37 | Very low | 37.5 | Very low | 82 Ų | 82 | 139.9 Ų | 139.9 | 57% | 0.573 | 78% | 0.775 | S | S | * | * | cis | -160.8 | 152.3 | 41.3 | -156 | 0 | 0 | 0 | 0 | 113 | ||||
| 694 | T | 39.3 | Very low | 37.1 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | 25.2 | 130.9 | 139.9 | 58.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 695 | S | 38.4 | Very low | 36.8 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | cis | 179.8 | 171.3 | 16.1 | -106.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 696 | D | 36.6 | Very low | 36.4 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | cis | -145.6 | -147.1 | 1.5 | -142.6 | -79.7 | 0 | 0 | 0 | 112.4 | ||||
| 697 | T | 33.7 | Very low | 35.9 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 69% | 0.693 | 77% | 0.769 | S | S | * | * | trans | -130.1 | 177.7 | -169.6 | -47.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 698 | I | 33.8 | Very low | 35.6 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | trans | 83.7 | 130.8 | 164.5 | -48.5 | 166.8 | 0 | 0 | 0 | 112.7 | ||||
| 699 | C | 32.1 | Very low | 35.6 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | cis | -148 | 167.8 | 19.4 | -144.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 700 | A | 34.9 | Very low | 35.4 | Very low | 84 Ų | 84 | 126.5 Ų | 126.5 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | trans | 19.1 | 116.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 701 | A | 34 | Very low | 35.2 | Very low | 91 Ų | 91 | 130 Ų | 130 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | 65.7 | 106.8 | 70.6 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 702 | N | 36.3 | Very low | 35 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | trans | -149.8 | 71.4 | 152 | -106.7 | -33.5 | 0 | 0 | 0 | 110.7 | ||||
| 703 | H | 36 | Very low | 34.9 | Very low | 193 Ų | 193 | 120.1 Ų | 120.1 | 89% | 0.894 | 74% | 0.743 | S | S | * | * | trans | -88.5 | 113.7 | 155.8 | -99.4 | -84.1 | 0 | 0 | 0 | 107.8 | ||||
| 704 | V | 34.9 | Very low | 35 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | -138.2 | 104.8 | 166.2 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 705 | L | 33.6 | Very low | 34.7 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -76.4 | 151.2 | 155 | -79.5 | 158.1 | 0 | 0 | 0 | 108.8 | ||||
| 706 | P | 36.6 | Very low | 34.7 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | -142.6 | 156.1 | 93.2 | 20.6 | 1.7 | 0 | 0 | 0 | 112.7 | |||||
| 707 | S | 29.9 | Very low | 34.6 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | cis | 65.5 | 119.9 | 17.5 | -85.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 708 | A | 32 | Very low | 34.6 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | 65.3 | 146.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 709 | S | 34.8 | Very low | 34.5 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -155.8 | 168.2 | -15.3 | -82.1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 710 | T | 36.8 | Very low | 34.6 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 77% | 0.767 | 75% | 0.753 | S | S | * | * | 178.6 | 126 | 67.2 | -72.8 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 711 | L | 32.1 | Very low | 34.9 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -68 | 175.9 | 163.6 | -120.4 | 160.2 | 0 | 0 | 0 | 110 | ||||
| 712 | I | 37.1 | Very low | 34.8 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | 87 | 128.7 | -179.5 | -47.9 | 149 | 0 | 0 | 0 | 112.6 | ||||
| 713 | G | 32.2 | Very low | 34.6 | Very low | 52 Ų | 52 | 129 Ų | 129 | 54% | 0.536 | 73% | 0.734 | S | S | . | * | cis | 147.6 | 101.6 | -2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 714 | H | 39.6 | Very low | 34.4 | Very low | 188 Ų | 188 | 128.3 Ų | 128.3 | 87% | 0.87 | 73% | 0.731 | S | S | * | * | trans | -157.6 | 106.7 | 164.9 | -74 | -72.5 | 0 | 0 | 0 | 104.3 | ||||
| 715 | D | 33.5 | Very low | 34.2 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | cis | 54.6 | 72.8 | 27.3 | -141.5 | -40.3 | 0 | 0 | 0 | 113.8 | ||||
| 716 | R | 39 | Very low | 34.1 | Very low | 223 Ų | 223 | 125 Ų | 125 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | -156.2 | 125.3 | 120.5 | -97 | 159 | -179.4 | -130.4 | -6.1 | 106.5 | |||||
| 717 | L | 33 | Very low | 33.9 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | 55.2 | 129.1 | 77.5 | -59 | 175.4 | 0 | 0 | 0 | 109.7 | |||||
| 718 | I | 33.8 | Very low | 33.9 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 70% | 0.697 | 73% | 0.73 | S | S | * | * | cis | -163.5 | 143.1 | 30.2 | -129.6 | 155.4 | 0 | 0 | 0 | 106.6 | ||||
| 719 | V | 33.2 | Very low | 33.9 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 66% | 0.661 | 73% | 0.725 | S | S | * | * | 48.5 | 105.8 | 107.9 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 720 | D | 33.9 | Very low | 33.6 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | -177.8 | 167.7 | 75.4 | -110.6 | -45 | 0 | 0 | 0 | 107.5 | |||||
| 721 | S | 39.8 | Very low | 33.4 | Very low | 79 Ų | 79 | 128.6 Ų | 128.6 | 55% | 0.552 | 73% | 0.725 | S | S | * | * | cis | -154.5 | 147.4 | -5.4 | -128.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 722 | I | 32.2 | Very low | 33.4 | Very low | 143 Ų | 143 | 126.3 Ų | 126.3 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | 40.5 | 115.4 | 99.9 | -46.3 | 175 | 0 | 0 | 0 | 111.9 | |||||
| 723 | G | 32.4 | Very low | 33.2 | Very low | 61 Ų | 61 | 123.2 Ų | 123.2 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | cis | 143.8 | -173 | 11.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 724 | Q | 31.6 | Very low | 33.3 | Very low | 179 Ų | 179 | 125.3 Ų | 125.3 | 84% | 0.836 | 72% | 0.717 | S | S | * | * | trans | 66.7 | 154.3 | 169.9 | -56.3 | 178.5 | 63.3 | 0 | 0 | 114.2 | ||||
| 725 | S | 32.3 | Very low | 33.3 | Very low | 88 Ų | 88 | 123.9 Ų | 123.9 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | cis | -166.9 | 143.7 | -18 | 45.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 726 | S | 31.1 | Very low | 33.4 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | trans | 58 | 160 | 131.6 | -53.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 727 | S | 32.8 | Very low | 33.3 | Very low | 106 Ų | 106 | 121.9 Ų | 121.9 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | trans | 79.6 | 112.3 | 164.6 | -52.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 728 | T | 29.4 | Very low | 33.5 | Very low | 124 Ų | 124 | 119.1 Ų | 119.1 | 76% | 0.761 | 71% | 0.712 | S | S | * | * | 72.9 | 106.4 | 63.8 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 729 | T | 30.9 | Very low | 33.6 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | 68.6 | 112.9 | 147.2 | -53.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 730 | V | 29.9 | Very low | 33.7 | Very low | 125 Ų | 125 | 120.1 Ų | 120.1 | 76% | 0.758 | 72% | 0.719 | S | S | * | * | trans | 59.1 | 155.8 | 156.8 | -62.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 731 | L | 32.9 | Very low | 33.7 | Very low | 142 Ų | 142 | 122 Ų | 122 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | trans | 94.4 | 99.2 | 158.9 | -53.5 | -176.5 | 0 | 0 | 0 | 119.5 | ||||
| 732 | T | 31.3 | Very low | 33.5 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | 66.9 | 139.9 | 123.1 | 64.5 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 733 | S | 32.4 | Very low | 33.5 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | 74.9 | 114.6 | 158.7 | -58.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 734 | S | 34.3 | Very low | 33.7 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | 65.9 | 130.8 | 74.6 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 735 | H | 39.7 | Very low | 33.8 | Very low | 158 Ų | 158 | 126 Ų | 126 | 73% | 0.731 | 74% | 0.742 | S | S | * | * | cis | -154 | 148 | 44.8 | -70.7 | -92.5 | 0 | 0 | 0 | 114.9 | ||||
| 736 | N | 35.9 | Very low | 34.1 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 36.6 | 126.5 | 137.7 | -60.5 | -30.1 | 0 | 0 | 0 | 122.4 | ||||
| 737 | L | 37.6 | Very low | 34.1 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 93% | 0.932 | 75% | 0.751 | S | S | * | * | -162.3 | 75.8 | 116.8 | -97.6 | 168.6 | 0 | 0 | 0 | 106.4 | |||||
| 738 | A | 36.2 | Very low | 34.4 | Very low | 72 Ų | 72 | 135.2 Ų | 135.2 | 60% | 0.595 | 75% | 0.749 | S | S | * | * | 73.2 | 82.2 | 80.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 739 | D | 36.9 | Very low | 34.7 | Very low | 168 Ų | 168 | 136 Ų | 136 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | trans | -136.9 | 130.5 | 134.7 | -142.4 | -27.2 | 0 | 0 | 0 | 107.6 | ||||
| 740 | T | 34.4 | Very low | 35.2 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 61% | 0.607 | 76% | 0.758 | S | S | * | * | trans | -145.5 | 114.9 | -160.4 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | V742 | T740-V742 HydrophobicContact CG2-CG2 4.21Š| ||
| 741 | L | 34.6 | Very low | 35.5 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | trans | -135.1 | 117.8 | 151.1 | -73 | 179 | 0 | 0 | 0 | 109 | ||||
| 742 | V | 34 | Very low | 35.9 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | trans | -132.5 | 167.5 | -178.9 | 179.7 | 0 | 0 | 0 | 0 | 107 | T740 | T740-V742 HydrophobicContact CG2-CG2 4.21Š| ||
| 743 | L | 33.8 | Very low | 36.1 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | 87.9 | 140.2 | 174.3 | -48.1 | 172.1 | 0 | 0 | 0 | 113.7 | ||||
| 744 | H | 35.8 | Very low | 36.4 | Very low | 173 Ų | 173 | 138.4 Ų | 138.4 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | cis | -135.2 | 152.5 | 17 | -111.1 | 147.6 | 0 | 0 | 0 | 114.1 | ||||
| 745 | S | 33.4 | Very low | 36.6 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -74.6 | 157.3 | 171.2 | -46.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 746 | K | 38.4 | Very low | 37 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | trans | -144 | 127.8 | 145.1 | -139.7 | -175.5 | -175 | -132.1 | 0 | 110.6 | E748 | K746-E748 IonicContact NZ-OE2 2.7Å; K746-E748 PolarHBondContact NZ-OE2 2.83Å | ||
| 747 | Q | 30.9 | Very low | 37 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -122 | 113.7 | -179.6 | 164.4 | -166.6 | -34.7 | 0 | 0 | 107.3 | ||||
| 748 | E | 39.8 | Very low | 37.3 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | trans | -149.3 | 95.7 | 164.3 | -60.3 | -177.8 | 112.4 | 0 | 0 | 104.8 | K746 | K746-E748 IonicContact NZ-OE2 2.7Å; K746-E748 PolarHBondContact NZ-OE2 2.83Å | ||
| 749 | D | 36.1 | Very low | 37.5 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | 66.9 | 117.1 | 102.1 | -103.1 | -56.1 | 0 | 0 | 0 | 115.3 | |||||
| 750 | L | 41 | Very low | 37.6 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -172 | 116.8 | 137.6 | -102.7 | 166.4 | 0 | 0 | 0 | 111.7 | ||||
| 751 | S | 35.2 | Very low | 38 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | -75.1 | 140.3 | -174 | 50.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 752 | S | 41.5 | Very low | 38.1 | Very low | 133 Ų | 133 | 144 Ų | 144 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | -178.1 | 135.3 | 144.6 | -78.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 753 | G | 36.1 | Very low | 38.4 | Very low | 75 Ų | 75 | 145.4 Ų | 145.4 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | cis | 146.4 | 64.2 | 2.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 754 | L | 38.3 | Very low | 38.6 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -150.5 | 113.2 | 165.4 | -151.7 | 73.3 | 0 | 0 | 0 | 112.1 | ||||
| 755 | I | 38.1 | Very low | 38.8 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | trans | -108.2 | 126.6 | 174.5 | -62 | 172.4 | 0 | 0 | 0 | 107.6 | ||||
| 756 | I | 48 | Very low | 39.1 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 77% | 0.774 | 82% | 0.818 | S | S | * | * | trans | -132.7 | 106.6 | 158.6 | -61.5 | 178.6 | 0 | 0 | 0 | 107.9 | ||||
| 757 | N | 37.8 | Very low | 39.2 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 77% | 0.765 | 82% | 0.821 | S | S | * | * | trans | -76.7 | 136.3 | 169.1 | -87.7 | -19.3 | 0 | 0 | 0 | 110.1 | ||||
| 758 | A | 42 | Very low | 39.7 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 78% | 0.777 | 82% | 0.822 | S | S | * | * | trans | -151.6 | 67 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 759 | T | 40.9 | Very low | 39.7 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 71% | 0.712 | 83% | 0.833 | S | S | * | * | trans | 7.9 | 119.8 | 143.7 | -49.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 760 | L | 38.9 | Very low | 40 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 85% | 0.848 | 84% | 0.839 | S | S | * | * | trans | 42.4 | 111.5 | 144.2 | -59.1 | 166.2 | 0 | 0 | 0 | 119.5 | ||||
| 761 | N | 42.6 | Very low | 39.9 | Very low | 237 Ų | 237 | 138.4 Ų | 138.4 | 100% | 1.267 | 83% | 0.833 | S | S | * | * | -151.5 | 0 | 106 | -149.5 | 36.6 | 0 | 0 | 0 | 110.6 |
Retrieved 761 of 761 residues in 586.2 ms
(Link to these results)