| 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 | 37.6 | Very low | 39.3 | Very low | 231 Ų | 231 | 146.5 Ų | 146.5 | 100% | 1.138 | 85% | 0.845 | S | S | * | * | 0 | 142.8 | 0 | -72.3 | 151.7 | 68.4 | 0 | 0 | 107.3 | |||||
| 2 | S | 40.7 | Very low | 38.8 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 89% | 0.888 | 84% | 0.839 | S | S | * | * | trans | 61.7 | 107.3 | -177 | -49.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 3 | H | 36.2 | Very low | 38.3 | Very low | 187 Ų | 187 | 147.8 Ų | 147.8 | 87% | 0.866 | 84% | 0.841 | S | S | * | * | trans | -116.9 | 163.8 | 177.1 | -95.7 | -93.1 | 0 | 0 | 0 | 110.4 | ||||
| 4 | A | 36.3 | Very low | 38 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | 70.1 | 154 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 5 | A | 35.9 | Very low | 37.7 | Very low | 98 Ų | 98 | 142.4 Ų | 142.4 | 81% | 0.81 | 84% | 0.835 | S | S | * | * | cis | -161 | -177.6 | -14.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 6 | E | 37 | Very low | 37.9 | Very low | 186 Ų | 186 | 139.4 Ų | 139.4 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -64 | 168.7 | 177.3 | -100 | -159.2 | 117.3 | 0 | 0 | 116.1 | ||
| 7 | P | 53.9 | Low | 37.8 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 68% | 0.682 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 164.7 | -175.1 | 37.5 | -37.2 | 0 | 0 | 0 | 114.6 | ||
| 8 | P | 46.5 | Very low | 37.9 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 167.8 | 168.9 | 36.4 | -33.8 | 0 | 0 | 0 | 113.6 | ||
| 9 | R | 40.4 | Very low | 38.1 | Very low | 224 Ų | 224 | 134.7 Ų | 134.7 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | -129.4 | 171.5 | 172.3 | -75.4 | -172.7 | 173.4 | -164.2 | 0.3 | 111.2 | ||||
| 10 | D | 36.2 | Very low | 38.2 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | 69.6 | 145.9 | 160.8 | -54.1 | -31.2 | 0 | 0 | 0 | 118.1 | ||||
| 11 | G | 31.4 | Very low | 38.2 | Very low | 70 Ų | 70 | 134.4 Ų | 134.4 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | 159.6 | 42.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 12 | V | 33.7 | Very low | 38.2 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | 42 | 134.3 | 137.1 | -177.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 13 | E | 32.2 | Very low | 38.1 | Very low | 184 Ų | 184 | 131.9 Ų | 131.9 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | 65.4 | 163.4 | 161.7 | -76 | -177.4 | 123.3 | 0 | 0 | 119.4 | ||||
| 14 | A | 34.1 | Very low | 38.2 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | cis | -169.5 | 173.3 | -36.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 15 | S | 33.3 | Very low | 38.2 | Very low | 131 Ų | 131 | 131 Ų | 131 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | 77.3 | 158.7 | 162.2 | -150 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 16 | A | 40.6 | Very low | 38.2 | Very low | 95 Ų | 95 | 133.7 Ų | 133.7 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -107.9 | 145.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 17 | E | 37.3 | Very low | 38.1 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 65% | 0.654 | 76% | 0.764 | S | S | * | * | trans | -133.8 | 134.5 | 154.7 | -146 | -177 | 149.4 | 0 | 0 | 109.1 | R20 | E17-R20 VanDerWaalsContact CD-NH2 3.31Å; E17-R20 IonicContact OE1-CZ 3.15Å; E17-R20 IonicContact OE1-NE 2.69Å; E17-R20 PolarHBondContact OE1-NE 2.77Å; E17-R20 IonicContact OE1-NH2 2.77Å; E17-R20 PolarHBondContact OE1-NH2 2.69Å; E17-R20 IonicContact OE2-CZ 3.87Å; E17-R20 IonicContact OE2-NE 3.91Å; E17-R20 IonicContact OE2-NH2 3.03Å; E17-R20 PolarHBondContact OE2-NH2 3Å | ||
| 18 | G | 39.8 | Very low | 37.1 | Very low | 53 Ų | 53 | 137.4 Ų | 137.4 | 55% | 0.546 | 77% | 0.772 | S | S | . | * | trans | -76.5 | 170.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R20 | G18-R20 PolarHBondContact O-N 3.03Š| ||
| 19 | P | 41.8 | Very low | 36.6 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -61.9 | 110.3 | 175.3 | 26.2 | -33.6 | 0 | 0 | 0 | 110.4 | A21 | P19-A21 PolarHBondContact O-N 3.21Š| ||
| 20 | R | 40.2 | Very low | 36.5 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -62 | 105.2 | 177.3 | -71.2 | -174.9 | 177.5 | -178.8 | 3.9 | 110.4 | E17 G18 V22 | E17-R20 VanDerWaalsContact CD-NH2 3.31Å; E17-R20 IonicContact OE1-CZ 3.15Å; E17-R20 IonicContact OE1-NE 2.69Å; E17-R20 PolarHBondContact OE1-NE 2.77Å; E17-R20 IonicContact OE1-NH2 2.77Å; E17-R20 PolarHBondContact OE1-NH2 2.69Å; E17-R20 IonicContact OE2-CZ 3.87Å; E17-R20 IonicContact OE2-NE 3.91Å; E17-R20 IonicContact OE2-NH2 3.03Å; E17-R20 PolarHBondContact OE2-NH2 3Å; G18-R20 PolarHBondContact O-N 3.03Å; R20-V22 PolarHBondContact O-N 3.02Å | ||
| 21 | A | 38.1 | Very low | 36.5 | Very low | 72 Ų | 72 | 141 Ų | 141 | 60% | 0.595 | 77% | 0.774 | S | S | * | * | trans | -70.7 | 108.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | P19 F23 | P19-A21 PolarHBondContact O-N 3.21Å; A21-F23 HydrophobicContact CB-CD2 4.37Å; A21-F23 HydrophobicContact CB-CE2 3.81Å; A21-F23 HydrophobicContact CB-CZ 4.21Å; A21-F23 WeakPolarHBondContact O-CD2 3.36Å; A21-F23 PolarHBondContact O-N 3.27Å | ||
| 22 | V | 37.4 | Very low | 36.8 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | trans | -80.4 | 101.2 | 173.4 | 180 | 0 | 0 | 0 | 0 | 108.7 | R20 V24 | R20-V22 PolarHBondContact O-N 3.02Å; V22-V24 HydrophobicContact CG1-CG2 4.49Å; V22-V24 PolarHBondContact O-N 3.26Å | ||
| 23 | F | 38.9 | Very low | 36.8 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -77.8 | 103.7 | 173.5 | -68 | -87.1 | 0 | 0 | 0 | 110 | A21 L25 | A21-F23 HydrophobicContact CB-CD2 4.37Å; A21-F23 HydrophobicContact CB-CE2 3.81Å; A21-F23 HydrophobicContact CB-CZ 4.21Å; A21-F23 WeakPolarHBondContact O-CD2 3.36Å; A21-F23 PolarHBondContact O-N 3.27Å; F23-L25 PolarHBondContact O-N 3.28Å | ||
| 24 | V | 38.2 | Very low | 37 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | trans | -79.1 | 103.8 | 167.1 | -177.1 | 0 | 0 | 0 | 0 | 108 | V22 L26 | V22-V24 HydrophobicContact CG1-CG2 4.49Å; V22-V24 PolarHBondContact O-N 3.26Å; V24-L26 HydrophobicContact CG1-CD1 4Å; V24-L26 PolarHBondContact O-N 3.31Å | ||
| 25 | L | 35.3 | Very low | 36.9 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | -71.9 | 111.4 | 163.6 | -73.8 | 90.9 | 0 | 0 | 0 | 108.1 | F23 E27 | F23-L25 PolarHBondContact O-N 3.28Å; L25-E27 PolarHBondContact O-N 3.31Å | ||
| 26 | L | 36.2 | Very low | 36.9 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | -77.6 | 104.3 | 159.1 | -79.6 | 89 | 0 | 0 | 0 | 107.5 | V24 E28 | V24-L26 HydrophobicContact CG1-CD1 4Å; V24-L26 PolarHBondContact O-N 3.31Å; L26-E28 PolarHBondContact O-N 3.01Å | ||
| 27 | E | 35.1 | Very low | 36.6 | Very low | 186 Ų | 186 | 146.6 Ų | 146.6 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | -72.7 | 90.2 | 173.7 | -173 | 170.8 | -158.5 | 0 | 0 | 109.6 | L25 R29 | L25-E27 PolarHBondContact O-N 3.31Å; E27-R29 PolarHBondContact O-N 2.95Å | ||
| 28 | E | 33.3 | Very low | 36.3 | Very low | 183 Ų | 183 | 147 Ų | 147 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -71.3 | 95.7 | 177.9 | -170.1 | 168.6 | -141.7 | 0 | 0 | 110.3 | L26 R30 | L26-E28 PolarHBondContact O-N 3.01Å; E28-R30 PolarHBondContact O-N 3.21Å | ||
| 29 | R | 35.5 | Very low | 35.9 | Very low | 233 Ų | 233 | 149.4 Ų | 149.4 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -63.9 | 88 | -178.1 | -174.8 | -178.7 | -177.1 | 159.8 | 2.1 | 111.5 | E27 P31 | E27-R29 PolarHBondContact O-N 2.95Å; R29-P31 VanDerWaalsContact O-CD 3.28Å; R29-P31 WeakPolarHBondContact O-CD 3.41Å | ||
| 30 | R | 37.1 | Very low | 35.5 | Very low | 226 Ų | 226 | 150 Ų | 150 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 121.6 | 170.6 | -75.4 | -168.1 | -74.6 | 149.5 | -6.4 | 111.1 | E28 | E28-R30 PolarHBondContact O-N 3.21Š|
| 31 | P | 36.7 | Very low | 35.1 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 128.7 | 150.6 | 32.3 | -28.5 | 0 | 0 | 0 | 107.9 | R29 | R29-P31 VanDerWaalsContact O-CD 3.28Å; R29-P31 WeakPolarHBondContact O-CD 3.41Å |
| 32 | A | 37.2 | Very low | 34.8 | Very low | 87 Ų | 87 | 150.4 Ų | 150.4 | 72% | 0.719 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 123.2 | 164 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||
| 33 | D | 34.6 | Very low | 34.6 | Very low | 158 Ų | 158 | 152.2 Ų | 152.2 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -170.8 | 154.6 | 149.1 | -103.9 | -30.8 | 0 | 0 | 0 | 112.4 | ||||
| 34 | S | 36.4 | Very low | 34.6 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | 53.3 | 81.5 | 168 | 59.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 35 | A | 31.9 | Very low | 34.8 | Very low | 108 Ų | 108 | 151.6 Ų | 151.6 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -84.8 | 112.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 36 | Q | 33.1 | Very low | 34.9 | Very low | 172 Ų | 172 | 152.4 Ų | 152.4 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -112.2 | 118.5 | 171.9 | -82.1 | -177.4 | -28.1 | 0 | 0 | 110.7 | L38 | Q36-L38 PolarHBondContact O-N 3.03Š| ||
| 37 | L | 34.7 | Very low | 34.8 | Very low | 178 Ų | 178 | 150.8 Ų | 150.8 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | trans | -77.7 | 104 | 174.5 | -69.1 | 171.2 | 0 | 0 | 0 | 109.8 | ||||
| 38 | L | 31.4 | Very low | 34.8 | Very low | 148 Ų | 148 | 144.9 Ų | 144.9 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | -95.2 | 92.9 | 167.9 | -72.2 | 175 | 0 | 0 | 0 | 110.1 | Q36 L40 | Q36-L38 PolarHBondContact O-N 3.03Å; L38-L40 PolarHBondContact O-N 2.95Å | ||
| 39 | S | 31.3 | Very low | 34.7 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -70.6 | 115.6 | 164.4 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 40 | L | 32.4 | Very low | 34.7 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | -104 | 97 | 175.3 | -67.5 | -178.2 | 0 | 0 | 0 | 110.1 | L38 S42 | L38-L40 PolarHBondContact O-N 2.95Å; L40-S42 PolarHBondContact O-N 3.41Å; L40-S42 VanDerWaalsContact O-N 3.16Å | ||
| 41 | N | 31.5 | Very low | 34.7 | Very low | 150 Ų | 150 | 132 Ų | 132 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -66.8 | 105.8 | 161.5 | -77.8 | -36 | 0 | 0 | 0 | 108.8 | L43 | N41-L43 PolarHBondContact O-N 2.99Š| ||
| 42 | S | 33.1 | Very low | 34.8 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -69.5 | 111.7 | 172.8 | -69.1 | 0 | 0 | 0 | 0 | 110.3 | L40 | L40-S42 PolarHBondContact O-N 3.41Å; L40-S42 VanDerWaalsContact O-N 3.16Å | ||
| 43 | L | 33.2 | Very low | 34.9 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 140.3 | 175.8 | -71.8 | 165.5 | 0 | 0 | 0 | 111.7 | N41 | N41-L43 PolarHBondContact O-N 2.99Š|
| 44 | L | 37.9 | Very low | 35.1 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 143.3 | 172.7 | -145.1 | 88.3 | 0 | 0 | 0 | 110.6 | ||
| 45 | P | 42.9 | Very low | 35.2 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 131.1 | 146.9 | 32.7 | -27.1 | 0 | 0 | 0 | 109.6 | ||
| 46 | E | 37.9 | Very low | 35.6 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 149.9 | -175.3 | -164.1 | -169.9 | 147.9 | 0 | 0 | 112.7 | ||
| 47 | S | 34.2 | Very low | 36.3 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | 70.7 | 134.5 | 163.3 | -153.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 48 | G | 33.6 | Very low | 36.6 | Very low | 63 Ų | 63 | 139.6 Ų | 139.6 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | cis | 168.3 | 132.9 | -7.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 49 | I | 32.1 | Very low | 36.9 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -161.9 | 123.8 | 154.8 | -94.9 | 145.8 | 0 | 0 | 0 | 104.8 | ||||
| 50 | V | 35.5 | Very low | 37.1 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | trans | -84.2 | 141.8 | 172.2 | 177.4 | 0 | 0 | 0 | 0 | 108.6 | D52 | V50-D52 WeakPolarHBondContact CG1-OD1 3.25Š| ||
| 51 | A | 37.6 | Very low | 37.7 | Very low | 86 Ų | 86 | 140.5 Ų | 140.5 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -130.2 | 88.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | I53 | A51-I53 PolarHBondContact O-N 3.47Š| ||
| 52 | D | 39.1 | Very low | 38.1 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -69.4 | 96 | 179.2 | -58.2 | -51.1 | 0 | 0 | 0 | 110.4 | V50 | V50-D52 WeakPolarHBondContact CG1-OD1 3.25Š| ||
| 53 | I | 37.7 | Very low | 38.2 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -137.1 | 86.5 | 161.8 | -51.4 | -179.8 | 0 | 0 | 0 | 108.1 | A51 L55 | A51-I53 PolarHBondContact O-N 3.47Å; I53-L55 PolarHBondContact O-N 3.28Å | ||
| 54 | E | 39.8 | Very low | 38.4 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -64.4 | 124.6 | 154.6 | -63.8 | -178.1 | 134.7 | 0 | 0 | 107.7 | ||||
| 55 | L | 38.6 | Very low | 38.4 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -122.9 | 87.8 | 169.7 | -161.8 | 73.1 | 0 | 0 | 0 | 108.6 | I53 | I53-L55 PolarHBondContact O-N 3.28Š| ||
| 56 | E | 40.8 | Very low | 38.2 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -65.8 | 156.4 | -179.2 | -165.6 | 173 | -156.9 | 0 | 0 | 112 | V58 | E56-V58 VanDerWaalsContact C-N 3.29Å; E56-V58 PolarHBondContact O-N 2.96Å | ||
| 57 | N | 46.3 | Very low | 38 | Very low | 169 Ų | 169 | 144 Ų | 144 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | trans | -74.5 | 73 | -177.7 | -76.1 | -49.8 | 0 | 0 | 0 | 112.6 | ||||
| 58 | V | 41.8 | Very low | 38.1 | Very low | 104 Ų | 104 | 146 Ų | 146 | 63% | 0.63 | 78% | 0.777 | S | S | * | * | trans | -111.7 | 99.2 | 169.9 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | E56 | E56-V58 VanDerWaalsContact C-N 3.29Å; E56-V58 PolarHBondContact O-N 2.96Å | ||
| 59 | L | 37.3 | Very low | 38.3 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | trans | -133.2 | 91.8 | 167.3 | -79.8 | 175.8 | 0 | 0 | 0 | 109.3 | ||||
| 60 | D | 35.8 | Very low | 38.6 | Very low | 129 Ų | 129 | 148.3 Ų | 148.3 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | trans | -61.2 | 133.4 | 170.3 | -75.5 | -55.4 | 0 | 0 | 0 | 111 | D62 | D60-D62 VanDerWaalsContact C-N 3.26Å; D60-D62 PolarHBondContact O-N 3.31Å; D60-D62 VanDerWaalsContact O-N 3.13Å | ||
| 61 | P | 44.4 | Very low | 38.8 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 10.9 | -169.9 | 31.7 | -36.7 | 0 | 0 | 0 | 115.9 | ||
| 62 | D | 39.9 | Very low | 38.8 | Very low | 134 Ų | 134 | 151.7 Ų | 151.7 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | 2.8 | -167.3 | -100.2 | -44.7 | 0 | 0 | 0 | 117 | D60 F64 | D60-D62 VanDerWaalsContact C-N 3.26Å; D60-D62 PolarHBondContact O-N 3.31Å; D60-D62 VanDerWaalsContact O-N 3.13Å; D62-F64 PolarHBondContact O-N 3.26Å |
| 63 | S | 35.8 | Very low | 38.7 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -80.7 | 79.8 | 179.6 | -80.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 64 | F | 37.8 | Very low | 38.5 | Very low | 196 Ų | 196 | 152 Ų | 152 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -79.3 | 121.1 | 168.9 | -82.4 | -95.5 | 0 | 0 | 0 | 112.7 | D62 | D62-F64 PolarHBondContact O-N 3.26Š| ||
| 65 | Y | 38.1 | Very low | 38.2 | Very low | 217 Ų | 217 | 154.5 Ų | 154.5 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -92.8 | 112.4 | 164.4 | -88.5 | -83.6 | 0 | 0 | 0 | 111.3 | L67 | Y65-L67 PolarHBondContact O-N 3.49Š| ||
| 66 | E | 37.7 | Very low | 37.9 | Very low | 147 Ų | 147 | 152.5 Ų | 152.5 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | trans | -75.3 | 104.6 | 179 | -170 | -164.9 | -151.5 | 0 | 0 | 111.8 | K68 | E66-K68 PolarHBondContact O-N 3.24Å; E66-K68 IonicContact OE1-NZ 3.77Å; E66-K68 IonicContact OE2-NZ 3.59Å; E66-K68 PolarHBondContact OE2-NZ 3.05Å | ||
| 67 | L | 34.9 | Very low | 37.6 | Very low | 160 Ų | 160 | 150 Ų | 150 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -77.9 | 87.9 | 172.4 | -124.5 | 80.9 | 0 | 0 | 0 | 111.1 | Y65 S69 | Y65-L67 PolarHBondContact O-N 3.49Å; L67-S69 VanDerWaalsContact C-N 3.34Å; L67-S69 PolarHBondContact O-N 2.92Å | ||
| 68 | K | 36.2 | Very low | 37.1 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 70% | 0.7 | 80% | 0.797 | S | S | * | * | trans | -74.9 | 70.2 | -171.2 | -152.6 | -176.2 | -150.6 | 84.4 | 0 | 114.5 | E66 | E66-K68 PolarHBondContact O-N 3.24Å; E66-K68 IonicContact OE1-NZ 3.77Å; E66-K68 IonicContact OE2-NZ 3.59Å; E66-K68 PolarHBondContact OE2-NZ 3.05Å | ||
| 69 | S | 36.4 | Very low | 37.1 | Very low | 107 Ų | 107 | 150.8 Ų | 150.8 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -86.8 | 108.7 | 174.2 | 54.8 | 0 | 0 | 0 | 0 | 112.4 | L67 | L67-S69 VanDerWaalsContact C-N 3.34Å; L67-S69 PolarHBondContact O-N 2.92Å | ||
| 70 | Q | 40.1 | Very low | 36.7 | Very low | 171 Ų | 171 | 151 Ų | 151 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 130.1 | 170.5 | -71.2 | -174.7 | -2.9 | 0 | 0 | 111.1 | ||
| 71 | P | 39.5 | Very low | 36.5 | Very low | 120 Ų | 120 | 149.8 Ų | 149.8 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 121.9 | 168.8 | 31.2 | -31.6 | 0 | 0 | 0 | 110.9 | ||
| 72 | L | 36.9 | Very low | 35.9 | Very low | 156 Ų | 156 | 151 Ų | 151 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77 | 126.4 | 170.4 | -67.8 | 173 | 0 | 0 | 0 | 110.4 | L74 | L72-L74 PolarHBondContact O-N 2.86Š|
| 73 | P | 36.7 | Very low | 35.5 | Very low | 125 Ų | 125 | 152.8 Ų | 152.8 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 119.6 | 175.4 | 30.6 | -32.7 | 0 | 0 | 0 | 111.2 | ||
| 74 | L | 34.3 | Very low | 35.2 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 117.2 | 164.6 | -73.7 | 174 | 0 | 0 | 0 | 110 | L72 | L72-L74 PolarHBondContact O-N 2.86Š|
| 75 | R | 32.7 | Very low | 35.2 | Very low | 249 Ų | 249 | 148.4 Ų | 148.4 | 94% | 0.94 | 80% | 0.801 | S | S | * | * | trans | -166.8 | 142.4 | 134.6 | -86.3 | -121.3 | 170.2 | 176.6 | -1.7 | 111 | ||||
| 76 | S | 31.5 | Very low | 35.8 | Very low | 120 Ų | 120 | 144 Ų | 144 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -116.3 | 126.5 | 172.4 | 52.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 77 | S | 34.4 | Very low | 35.6 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -153.6 | 138.5 | 166.6 | 49.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 78 | L | 36.5 | Very low | 35.3 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -76.6 | 159 | -173.1 | -73.6 | 169.7 | 0 | 0 | 0 | 112.4 | ||||
| 79 | P | 41.6 | Very low | 36.1 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -86.8 | 151.5 | -164.6 | 34.2 | -36.4 | 0 | 0 | 0 | 114 | ||||
| 80 | I | 29.8 | Very low | 35.8 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | trans | -144 | 157 | 157.2 | -107 | 162 | 0 | 0 | 0 | 109.6 | ||||
| 81 | S | 32 | Very low | 35.2 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -71.3 | 168.8 | -154.9 | -141.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 82 | L | 31.3 | Very low | 34.8 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | 85.7 | 109.6 | 151.7 | -66.3 | 163 | 0 | 0 | 0 | 122.4 | ||||
| 83 | Q | 30.5 | Very low | 34.3 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | 82.9 | 96.9 | 114.2 | -156.8 | 164.5 | 36.8 | 0 | 0 | 122.2 | |||||
| 84 | A | 31 | Very low | 34 | Very low | 74 Ų | 74 | 132.6 Ų | 132.6 | 61% | 0.612 | 80% | 0.798 | S | S | * | * | 74.2 | 106.6 | 126.5 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 85 | T | 36.3 | Very low | 33.7 | Very low | 136 Ų | 136 | 130 Ų | 130 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | 74.2 | 176.6 | 133.1 | 76.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 86 | P | 52.2 | Low | 33.6 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | -135.4 | 163.7 | -115.6 | 30.9 | -5.7 | 0 | 0 | 0 | 117.5 | |||||
| 87 | A | 32.6 | Very low | 33.5 | Very low | 102 Ų | 102 | 123 Ų | 123 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -162.5 | 151.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 88 | T | 28.8 | Very low | 33.5 | Very low | 135 Ų | 135 | 122.5 Ų | 122.5 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | trans | -126 | 179.5 | 165.8 | 45.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 89 | P | 52.2 | Low | 33.3 | Very low | 114 Ų | 114 | 118.4 Ų | 118.4 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | cis | -130.6 | -167 | -24.6 | 29.5 | -7.6 | 0 | 0 | 0 | 113.1 | ||||
| 90 | A | 30.6 | Very low | 32.8 | Very low | 86 Ų | 86 | 116.3 Ų | 116.3 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | 75.2 | 167.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 91 | T | 28.4 | Very low | 32.9 | Very low | 121 Ų | 121 | 113.9 Ų | 113.9 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | cis | -153.6 | 152.3 | 8.5 | -12.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 92 | L | 30 | Very low | 33.2 | Very low | 153 Ų | 153 | 120.4 Ų | 120.4 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | trans | 60.2 | 124.4 | 145.9 | -69.7 | 168.9 | 0 | 0 | 0 | 124 | ||||
| 93 | S | 27.5 | Very low | 33.5 | Very low | 109 Ų | 109 | 119.8 Ų | 119.8 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | 91.8 | 150.1 | 123 | -69.7 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 94 | A | 29.3 | Very low | 34.1 | Very low | 89 Ų | 89 | 117.7 Ų | 117.7 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | 87.2 | 100.2 | 151 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 95 | S | 28.1 | Very low | 34.3 | Very low | 114 Ų | 114 | 118.4 Ų | 118.4 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | 57.1 | 116.9 | 121.8 | -51.1 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 96 | S | 30.5 | Very low | 34.9 | Very low | 110 Ų | 110 | 120.9 Ų | 120.9 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | 159 | 153.4 | 95.4 | 54.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 97 | S | 29.7 | Very low | 34.6 | Very low | 114 Ų | 114 | 119.3 Ų | 119.3 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 31.4 | 116 | 155.9 | 59.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 98 | A | 34.7 | Very low | 35.5 | Very low | 106 Ų | 106 | 119 Ų | 119 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | -163.8 | 145.9 | 117.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 99 | G | 32.7 | Very low | 36.6 | Very low | 86 Ų | 86 | 116.7 Ų | 116.7 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -88.4 | 143.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 100 | G | 31 | Very low | 36.3 | Very low | 72 Ų | 72 | 115.4 Ų | 115.4 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | -165.2 | 97 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 101 | S | 31.6 | Very low | 37.6 | Very low | 127 Ų | 127 | 114.4 Ų | 114.4 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | -69.9 | 142 | -178.8 | 41.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 102 | R | 37.3 | Very low | 39.5 | Very low | 240 Ų | 240 | 112.2 Ų | 112.2 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | trans | -89.3 | 127.3 | -171.5 | -60.8 | 161.2 | 73.7 | -171.2 | 5.9 | 111.2 | ||||
| 103 | T | 38.6 | Very low | 41.4 | Very low | 131 Ų | 131 | 114 Ų | 114 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -141.4 | 127.3 | 156.1 | 54.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 104 | P | 42.7 | Very low | 44 | Very low | 129 Ų | 129 | 113.4 Ų | 113.4 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | -79.6 | 131.7 | -178.8 | 31.4 | -33.5 | 0 | 0 | 0 | 112 | ||||
| 105 | A | 36.2 | Very low | 46.7 | Very low | 88 Ų | 88 | 114.1 Ų | 114.1 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -88.5 | 115.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S107 | A105-S107 PolarHBondContact O-N 2.93Š| ||
| 106 | M | 47.7 | Very low | 49.5 | Very low | 189 Ų | 189 | 113.3 Ų | 113.3 | 93% | 0.931 | 72% | 0.715 | S | S | * | * | trans | -74.4 | 90.1 | 172.9 | -66.6 | -174.5 | 76.1 | 0 | 0 | 111.1 | ||||
| 107 | S | 46.8 | Very low | 52.1 | Low | 90 Ų | 90 | 116.9 Ų | 116.9 | 63% | 0.629 | 71% | 0.712 | S | S | * | * | trans | -137.5 | 36.9 | -175.2 | -66.7 | 0 | 0 | 0 | 0 | 114.3 | A105 | A105-S107 PolarHBondContact O-N 2.93Š| ||
| 108 | S | 51.5 | Low | 54.9 | Low | 97 Ų | 97 | 116 Ų | 116 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | trans | -89.5 | -34.1 | -175.3 | 52.8 | 0 | 0 | 0 | 0 | 115.3 | S112 | S108-S112 PolarHBondContact O-N 3.04Š| ||
| 109 | S | 51 | Low | 57.6 | Low | 86 Ų | 86 | 117 Ų | 117 | 60% | 0.601 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -70.8 | -40.2 | -166.1 | -167.9 | 0 | 0 | 0 | 0 | 114.6 | R113 | S109-R113 PolarHBondContact O-N 3.24Å |
| 110 | S | 46.9 | Very low | 60.4 | Low | 87 Ų | 87 | 118.3 Ų | 118.3 | 61% | 0.608 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -69.3 | -43.6 | 179.2 | 51.4 | 0 | 0 | 0 | 0 | 112.2 | R113 V114 | S110-R113 PolarHBondContact O-N 3.35Å; S110-V114 WeakPolarHBondContact O-CG2 3.49Å; S110-V114 PolarHBondContact O-N 2.88Å; S110-V114 VanDerWaalsContact O-N 3.11Å |
| 111 | S | 57.5 | Low | 63.3 | Low | 64 Ų | 64 | 120.3 Ų | 120.3 | 45% | 0.448 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -59.7 | -48.1 | 177.8 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | R113 V114 L115 | S111-R113 VanDerWaalsContact C-N 3.34Å; S111-R113 PolarHBondContact O-N 2.95Å; S111-V114 PolarHBondContact O-N 3.43Å; S111-V114 VanDerWaalsContact O-N 3.13Å; S111-L115 WeakPolarHBondContact O-CB 3.36Å; S111-L115 WeakPolarHBondContact O-CG 3.39Å; S111-L115 PolarHBondContact O-N 3.34Å |
| 112 | S | 67.8 | Low | 66.2 | Low | 76 Ų | 76 | 120.8 Ų | 120.8 | 53% | 0.531 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -54.4 | -46.5 | 176.5 | 176.9 | 0 | 0 | 0 | 0 | 112.6 | S108 V114 L115 L116 | S108-S112 PolarHBondContact O-N 3.04Å; S112-V114 PolarHBondContact O-N 3.4Å; S112-L115 PolarHBondContact O-N 3.01Å; S112-L116 WeakPolarHBondContact O-CB 3.28Å; S112-L116 PolarHBondContact O-N 3.38Å |
| 113 | R | 70.4 | Confident | 68.8 | Low | 190 Ų | 190 | 111.7 Ų | 111.7 | 72% | 0.717 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.4 | -32.9 | 179.3 | -162.6 | 179.2 | -64.4 | -168.9 | -0.2 | 113.2 | S109 S110 S111 R117 | S109-R113 PolarHBondContact O-N 3.24Å; S110-R113 PolarHBondContact O-N 3.35Å; S111-R113 VanDerWaalsContact C-N 3.34Å; S111-R113 PolarHBondContact O-N 2.95Å; R113-R117 WeakPolarHBondContact O-CB 3.36Å; R113-R117 PolarHBondContact O-N 3.04Å; R113-R117 VanDerWaalsContact O-N 3.17Å |
| 114 | V | 82.1 | Confident | 71.2 | Confident | 96 Ų | 96 | 112.4 Ų | 112.4 | 58% | 0.582 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.4 | -42.7 | 175.1 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | S110 S111 S112 R117 Q118 | S110-V114 WeakPolarHBondContact O-CG2 3.49Å; S110-V114 PolarHBondContact O-N 2.88Å; S110-V114 VanDerWaalsContact O-N 3.11Å; S111-V114 PolarHBondContact O-N 3.43Å; S111-V114 VanDerWaalsContact O-N 3.13Å; S112-V114 PolarHBondContact O-N 3.4Å; V114-R117 PolarHBondContact O-N 3.3Å; V114-Q118 PolarHBondContact O-N 2.86Å |
| 115 | L | 85 | Confident | 73.5 | Confident | 105 Ų | 105 | 109 Ų | 109 | 55% | 0.55 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.9 | -47.4 | 176 | -72.2 | 167.7 | 0 | 0 | 0 | 111.4 | S111 S112 R117 Q118 Q119 | S111-L115 WeakPolarHBondContact O-CB 3.36Å; S111-L115 WeakPolarHBondContact O-CG 3.39Å; S111-L115 PolarHBondContact O-N 3.34Å; S112-L115 PolarHBondContact O-N 3.01Å; L115-R117 PolarHBondContact O-N 3.49Å; L115-Q118 PolarHBondContact O-N 3.15Å; L115-Q118 VanDerWaalsContact O-N 3.1Å; L115-Q119 PolarHBondContact O-N 3.15Å |
| 116 | L | 87.5 | Confident | 76 | Confident | 96 Ų | 96 | 110.8 Ų | 110.8 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -59.4 | -43.8 | 176.3 | -179.4 | 61.6 | 0 | 0 | 0 | 111.9 | S112 Q118 Q119 L120 | S112-L116 WeakPolarHBondContact O-CB 3.28Å; S112-L116 PolarHBondContact O-N 3.38Å; L116-Q118 VanDerWaalsContact C-N 3.32Å; L116-Q118 PolarHBondContact O-N 3.39Å; L116-Q119 PolarHBondContact O-N 3.29Å; L116-L120 PolarHBondContact O-N 2.82Å |
| 117 | R | 86.2 | Confident | 78 | Confident | 186 Ų | 186 | 106.3 Ų | 106.3 | 70% | 0.702 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.6 | -40.2 | 174.3 | -179.6 | 176.3 | 176.9 | -91.9 | -3.4 | 112 | R113 V114 L115 M121 | R113-R117 WeakPolarHBondContact O-CB 3.36Å; R113-R117 PolarHBondContact O-N 3.04Å; R113-R117 VanDerWaalsContact O-N 3.17Å; V114-R117 PolarHBondContact O-N 3.3Å; L115-R117 PolarHBondContact O-N 3.49Å; R117-M121 WeakPolarHBondContact O-CB 3.47Å; R117-M121 PolarHBondContact O-N 3.3Å |
| 118 | Q | 88.4 | Confident | 80 | Confident | 94 Ų | 94 | 107.5 Ų | 107.5 | 44% | 0.439 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.9 | -34.3 | 178.6 | -159.3 | -168.1 | 103.7 | 0 | 0 | 112.2 | V114 L115 L116 R122 | V114-Q118 PolarHBondContact O-N 2.86Å; L115-Q118 PolarHBondContact O-N 3.15Å; L115-Q118 VanDerWaalsContact O-N 3.1Å; L116-Q118 VanDerWaalsContact C-N 3.32Å; L116-Q118 PolarHBondContact O-N 3.39Å; Q118-R122 WeakPolarHBondContact O-CB 3.47Å; Q118-R122 PolarHBondContact O-N 3.02Å |
| 119 | Q | 91.8 | Very high | 81.8 | Confident | 129 Ų | 129 | 107.4 Ų | 107.4 | 60% | 0.603 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.3 | -46.9 | 173.6 | -172.4 | 175.6 | 10.8 | 0 | 0 | 111.5 | L115 L116 M121 R122 A123 | L115-Q119 PolarHBondContact O-N 3.15Å; L116-Q119 PolarHBondContact O-N 3.29Å; Q119-M121 PolarHBondContact O-N 2.8Å; Q119-R122 PolarHBondContact O-N 3.49Å; Q119-A123 PolarHBondContact O-N 2.85Å |
| 120 | L | 91.5 | Very high | 83.5 | Confident | 112 Ų | 112 | 108.8 Ų | 108.8 | 59% | 0.586 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.3 | -44.9 | 174 | -101.7 | 160 | 0 | 0 | 0 | 112.2 | L116 R122 A123 Q124 | L116-L120 PolarHBondContact O-N 2.82Å; L120-R122 VanDerWaalsContact C-N 3.31Å; L120-R122 PolarHBondContact O-N 3.1Å; L120-A123 PolarHBondContact O-N 3.05Å; L120-Q124 WeakPolarHBondContact O-CB 3.25Å; L120-Q124 PolarHBondContact O-N 2.67Å |
| 121 | M | 91.5 | Very high | 85.4 | Confident | 115 Ų | 115 | 112.2 Ų | 112.2 | 57% | 0.567 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.6 | -36.4 | 177.8 | -160.4 | -177.5 | 94.1 | 0 | 0 | 112.3 | R117 Q119 A125 | R117-M121 WeakPolarHBondContact O-CB 3.47Å; R117-M121 PolarHBondContact O-N 3.3Å; Q119-M121 PolarHBondContact O-N 2.8Å; M121-A125 PolarHBondContact O-N 3.43Å |
| 122 | R | 92 | Very high | 86.7 | Confident | 136 Ų | 136 | 113.3 Ų | 113.3 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 174.8 | -172.6 | 178.1 | -67 | 109.7 | 2.5 | 111.9 | Q118 Q119 L120 A125 Q126 | Q118-R122 WeakPolarHBondContact O-CB 3.47Å; Q118-R122 PolarHBondContact O-N 3.02Å; Q119-R122 PolarHBondContact O-N 3.49Å; L120-R122 VanDerWaalsContact C-N 3.31Å; L120-R122 PolarHBondContact O-N 3.1Å; R122-A125 PolarHBondContact O-N 2.85Å; R122-Q126 WeakPolarHBondContact O-CG 3.49Å; R122-Q126 PolarHBondContact O-N 2.82Å; R122-Q126 VanDerWaalsContact O-N 3.08Å |
| 123 | A | 91 | Very high | 87.3 | Confident | 50 Ų | 50 | 117.4 Ų | 117.4 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q119 L120 A125 Q126 E127 | Q119-A123 PolarHBondContact O-N 2.85Å; L120-A123 PolarHBondContact O-N 3.05Å; A123-A125 VanDerWaalsContact C-N 3.34Å; A123-A125 PolarHBondContact O-N 3.36Å; A123-Q126 PolarHBondContact O-N 3.36Å; A123-E127 PolarHBondContact O-N 3Å |
| 124 | Q | 89.4 | Confident | 87.7 | Confident | 145 Ų | 145 | 115.8 Ų | 115.8 | 68% | 0.678 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.1 | -39.8 | 177.3 | -169.1 | 173.7 | 25.5 | 0 | 0 | 112.1 | L120 E127 Q128 | L120-Q124 WeakPolarHBondContact O-CB 3.25Å; L120-Q124 PolarHBondContact O-N 2.67Å; Q124-E127 PolarHBondContact O-N 2.84Å; Q124-Q128 PolarHBondContact O-N 2.88Å; Q124-Q128 VanDerWaalsContact O-N 3.1Å |
| 125 | A | 90.8 | Very high | 87.3 | Confident | 59 Ų | 59 | 116.2 Ų | 116.2 | 49% | 0.488 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M121 R122 A123 Q128 E129 | M121-A125 PolarHBondContact O-N 3.43Å; R122-A125 PolarHBondContact O-N 2.85Å; A123-A125 VanDerWaalsContact C-N 3.34Å; A123-A125 PolarHBondContact O-N 3.36Å; A125-Q128 PolarHBondContact O-N 3.39Å; A125-E129 PolarHBondContact O-N 3.49Å |
| 126 | Q | 89.9 | Confident | 86.6 | Confident | 124 Ų | 124 | 117.6 Ų | 117.6 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.7 | -38 | 176.7 | -73.9 | 178.2 | -41.1 | 0 | 0 | 112.6 | R122 A123 Q128 E129 R130 | R122-Q126 WeakPolarHBondContact O-CG 3.49Å; R122-Q126 PolarHBondContact O-N 2.82Å; R122-Q126 VanDerWaalsContact O-N 3.08Å; A123-Q126 PolarHBondContact O-N 3.36Å; Q126-Q128 VanDerWaalsContact C-N 3.31Å; Q126-E129 PolarHBondContact O-N 3.42Å; Q126-R130 VanDerWaalsContact O-CB 3.3Å; Q126-R130 WeakPolarHBondContact O-CB 3.5Å; Q126-R130 PolarHBondContact O-N 2.93Å |
| 127 | E | 89.2 | Confident | 85.7 | Confident | 96 Ų | 96 | 116.5 Ų | 116.5 | 45% | 0.449 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 174.1 | -172.4 | 55.2 | -120.2 | 0 | 0 | 111.4 | A123 Q124 R130 R131 | A123-E127 PolarHBondContact O-N 3Å; Q124-E127 PolarHBondContact O-N 2.84Å; E127-R130 PolarHBondContact O-N 2.97Å; E127-R130 IonicContact OE1-CZ 2.74Å; E127-R130 IonicContact OE1-NE 3.31Å; E127-R130 PolarHBondContact OE1-NE 2.91Å; E127-R130 IonicContact OE1-NH2 2.76Å; E127-R130 PolarHBondContact OE1-NH2 3.45Å; E127-R130 IonicContact OE2-CZ 3.15Å; E127-R130 IonicContact OE2-NE 2.83Å; E127-R130 PolarHBondContact OE2-NE 3.18Å; E127-R130 IonicContact OE2-NH2 2.66Å; E127-R131 WeakPolarHBondContact O-CB 3.41Å; E127-R131 PolarHBondContact O-N 3.31Å |
| 128 | Q | 87.6 | Confident | 84.6 | Confident | 115 Ų | 115 | 112 Ų | 112 | 54% | 0.537 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.7 | -45.5 | 173.5 | -173.2 | 172.2 | -25.6 | 0 | 0 | 112.6 | Q124 A125 Q126 R130 R131 E132 | Q124-Q128 PolarHBondContact O-N 2.88Å; Q124-Q128 VanDerWaalsContact O-N 3.1Å; A125-Q128 PolarHBondContact O-N 3.39Å; Q126-Q128 VanDerWaalsContact C-N 3.31Å; Q128-R130 VanDerWaalsContact C-N 3.27Å; Q128-R130 PolarHBondContact O-N 2.92Å; Q128-R131 WeakPolarHBondContact O-CB 3.3Å; Q128-R131 PolarHBondContact O-N 3.11Å; Q128-R131 VanDerWaalsContact O-N 3.07Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.25Å; Q128-E132 PolarHBondContact NE2-OE1 3.17Å; Q128-E132 PolarHBondContact O-N 3.45Å |
| 129 | E | 90.2 | Very high | 83.2 | Confident | 94 Ų | 94 | 111 Ų | 111 | 44% | 0.439 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.1 | -40.7 | 174.1 | -166.9 | -156.3 | 144.6 | 0 | 0 | 111 | A125 Q126 R131 E132 R133 | A125-E129 PolarHBondContact O-N 3.49Å; Q126-E129 PolarHBondContact O-N 3.42Å; E129-R131 VanDerWaalsContact C-N 3.28Å; E129-R131 PolarHBondContact O-N 2.94Å; E129-E132 PolarHBondContact O-N 2.96Å; E129-R133 WeakPolarHBondContact O-CB 3.48Å; E129-R133 WeakPolarHBondContact O-CG 3.45Å; E129-R133 PolarHBondContact O-N 3.44Å; E129-R133 IonicContact OE1-CZ 3.6Å; E129-R133 VanDerWaalsContact OE1-CZ 3.24Å; E129-R133 IonicContact OE1-NE 2.83Å; E129-R133 PolarHBondContact OE1-NE 2.93Å; E129-R133 IonicContact OE1-NH2 2.72Å; E129-R133 PolarHBondContact OE1-NH2 3.07Å |
| 130 | R | 87.6 | Confident | 81.3 | Confident | 116 Ų | 116 | 108.1 Ų | 108.1 | 44% | 0.438 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.5 | -35.2 | 176.4 | -167.6 | -170.7 | 78.6 | 116.9 | -2.3 | 112.2 | Q126 E127 Q128 R134 | Q126-R130 VanDerWaalsContact O-CB 3.3Å; Q126-R130 WeakPolarHBondContact O-CB 3.5Å; Q126-R130 PolarHBondContact O-N 2.93Å; E127-R130 PolarHBondContact O-N 2.97Å; E127-R130 IonicContact OE1-CZ 2.74Å; E127-R130 IonicContact OE1-NE 3.31Å; E127-R130 PolarHBondContact OE1-NE 2.91Å; E127-R130 IonicContact OE1-NH2 2.76Å; E127-R130 PolarHBondContact OE1-NH2 3.45Å; E127-R130 IonicContact OE2-CZ 3.15Å; E127-R130 IonicContact OE2-NE 2.83Å; E127-R130 PolarHBondContact OE2-NE 3.18Å; E127-R130 IonicContact OE2-NH2 2.66Å; Q128-R130 VanDerWaalsContact C-N 3.27Å; Q128-R130 PolarHBondContact O-N 2.92Å; R130-R134 WeakPolarHBondContact O-CG 3.25Å; R130-R134 PolarHBondContact O-N 2.98Å |
| 131 | R | 85.9 | Confident | 79.4 | Confident | 158 Ų | 158 | 108.6 Ų | 108.6 | 60% | 0.596 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -71.2 | -48.5 | 174.6 | -177.3 | 175.5 | -178.1 | 153.7 | 4.1 | 111.5 | E127 Q128 E129 R133 R134 E135 | E127-R131 WeakPolarHBondContact O-CB 3.41Å; E127-R131 PolarHBondContact O-N 3.31Å; Q128-R131 WeakPolarHBondContact O-CB 3.3Å; Q128-R131 PolarHBondContact O-N 3.11Å; Q128-R131 VanDerWaalsContact O-N 3.07Å; E129-R131 VanDerWaalsContact C-N 3.28Å; E129-R131 PolarHBondContact O-N 2.94Å; R131-R133 VanDerWaalsContact C-N 3.32Å; R131-R133 PolarHBondContact O-N 2.82Å; R131-R134 WeakPolarHBondContact O-CA 3.31Å; R131-R134 WeakPolarHBondContact O-CB 3.32Å; R131-R134 PolarHBondContact O-N 3.41Å; R131-E135 WeakPolarHBondContact CG-OE1 3.2Å; R131-E135 IonicContact CZ-OE1 2.85Å; R131-E135 IonicContact NE-OE1 2.73Å; R131-E135 PolarHBondContact NE-OE1 2.67Å; R131-E135 IonicContact NH2-OE1 3.27Å; R131-E135 PolarHBondContact NH2-OE1 2.69Å; R131-E135 PolarHBondContact O-N 2.9Å |
| 132 | E | 84.2 | Confident | 77.2 | Confident | 88 Ų | 88 | 112.9 Ų | 112.9 | 41% | 0.411 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.9 | -39.4 | 177.1 | -71.5 | 173.8 | -160.8 | 0 | 0 | 111.4 | Q128 E129 R134 E135 Q136 | Q128-E132 WeakPolarHBondContact CG-OE1 3.25Å; Q128-E132 PolarHBondContact NE2-OE1 3.17Å; Q128-E132 PolarHBondContact O-N 3.45Å; E129-E132 PolarHBondContact O-N 2.96Å; E132-R134 VanDerWaalsContact C-N 3.34Å; E132-R134 PolarHBondContact O-N 3.42Å; E132-E135 PolarHBondContact O-N 3.21Å; E132-Q136 WeakPolarHBondContact O-CB 3.29Å; E132-Q136 VanDerWaalsContact O-CG 3.25Å; E132-Q136 WeakPolarHBondContact O-CG 3.44Å; E132-Q136 PolarHBondContact O-N 3.31Å |
| 133 | R | 81.1 | Confident | 75 | Confident | 161 Ų | 161 | 112.3 Ų | 112.3 | 61% | 0.608 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.6 | -36.3 | 170.6 | -78 | -173.8 | -174.1 | -129.3 | 5.4 | 113.5 | E129 R131 A137 | E129-R133 WeakPolarHBondContact O-CB 3.48Å; E129-R133 WeakPolarHBondContact O-CG 3.45Å; E129-R133 PolarHBondContact O-N 3.44Å; E129-R133 IonicContact OE1-CZ 3.6Å; E129-R133 VanDerWaalsContact OE1-CZ 3.24Å; E129-R133 IonicContact OE1-NE 2.83Å; E129-R133 PolarHBondContact OE1-NE 2.93Å; E129-R133 IonicContact OE1-NH2 2.72Å; E129-R133 PolarHBondContact OE1-NH2 3.07Å; R131-R133 VanDerWaalsContact C-N 3.32Å; R131-R133 PolarHBondContact O-N 2.82Å; R133-A137 WeakPolarHBondContact O-CB 3.32Å; R133-A137 PolarHBondContact O-N 3.1Å |
| 134 | R | 78.3 | Confident | 72.6 | Confident | 157 Ų | 157 | 115.3 Ų | 115.3 | 59% | 0.592 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71 | -40.3 | 176.3 | -80.5 | 173.5 | 161.8 | -156.9 | -9.5 | 111.6 | R130 R131 E132 A137 A138 | R130-R134 WeakPolarHBondContact O-CG 3.25Å; R130-R134 PolarHBondContact O-N 2.98Å; R131-R134 WeakPolarHBondContact O-CA 3.31Å; R131-R134 WeakPolarHBondContact O-CB 3.32Å; R131-R134 PolarHBondContact O-N 3.41Å; E132-R134 VanDerWaalsContact C-N 3.34Å; E132-R134 PolarHBondContact O-N 3.42Å; R134-A137 PolarHBondContact O-N 2.92Å; R134-A138 WeakPolarHBondContact O-CB 3.26Å; R134-A138 PolarHBondContact O-N 3.24Å |
| 135 | E | 74.3 | Confident | 70.9 | Confident | 104 Ų | 104 | 114.5 Ų | 114.5 | 49% | 0.486 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70 | -37.5 | 177.2 | -69.2 | 170.8 | -171.7 | 0 | 0 | 110.7 | R131 E132 A138 A139 | R131-E135 WeakPolarHBondContact CG-OE1 3.2Å; R131-E135 IonicContact CZ-OE1 2.85Å; R131-E135 IonicContact NE-OE1 2.73Å; R131-E135 PolarHBondContact NE-OE1 2.67Å; R131-E135 IonicContact NH2-OE1 3.27Å; R131-E135 PolarHBondContact NH2-OE1 2.69Å; R131-E135 PolarHBondContact O-N 2.9Å; E132-E135 PolarHBondContact O-N 3.21Å; E135-A138 PolarHBondContact O-N 3.05Å; E135-A139 VanDerWaalsContact O-CB 3.31Å; E135-A139 WeakPolarHBondContact O-CB 3.44Å; E135-A139 PolarHBondContact O-N 3.01Å |
| 136 | Q | 71.3 | Confident | 68.2 | Low | 134 Ų | 134 | 116.3 Ų | 116.3 | 63% | 0.626 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.2 | -41.9 | 169.8 | -73.1 | 173.6 | 16 | 0 | 0 | 113.1 | E132 A138 A139 A140 | E132-Q136 WeakPolarHBondContact O-CB 3.29Å; E132-Q136 VanDerWaalsContact O-CG 3.25Å; E132-Q136 WeakPolarHBondContact O-CG 3.44Å; E132-Q136 PolarHBondContact O-N 3.31Å; Q136-A138 VanDerWaalsContact C-N 3.28Å; Q136-A138 PolarHBondContact O-N 3.06Å; Q136-A139 CarbonylContact O-C 3.56Å; Q136-A139 PolarHBondContact O-N 3.24Å; Q136-A140 PolarHBondContact O-N 3.15Å |
| 137 | A | 66.9 | Low | 66.6 | Low | 74 Ų | 74 | 116.3 Ų | 116.3 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.5 | -31.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R133 R134 A139 | R133-A137 WeakPolarHBondContact O-CB 3.32Å; R133-A137 PolarHBondContact O-N 3.1Å; R134-A137 PolarHBondContact O-N 2.92Å; A137-A139 VanDerWaalsContact C-N 3.32Å |
| 138 | A | 64.1 | Low | 63.9 | Low | 91 Ų | 91 | 116.1 Ų | 116.1 | 75% | 0.752 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.2 | -17.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R134 E135 Q136 | R134-A138 WeakPolarHBondContact O-CB 3.26Å; R134-A138 PolarHBondContact O-N 3.24Å; E135-A138 PolarHBondContact O-N 3.05Å; Q136-A138 VanDerWaalsContact C-N 3.28Å; Q136-A138 PolarHBondContact O-N 3.06Å |
| 139 | A | 59.2 | Low | 61.3 | Low | 72 Ų | 72 | 116 Ų | 116 | 60% | 0.595 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 2.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E135 Q136 A137 P141 | E135-A139 VanDerWaalsContact O-CB 3.31Å; E135-A139 WeakPolarHBondContact O-CB 3.44Å; E135-A139 PolarHBondContact O-N 3.01Å; Q136-A139 CarbonylContact O-C 3.56Å; Q136-A139 PolarHBondContact O-N 3.24Å; A137-A139 VanDerWaalsContact C-N 3.32Å; A139-P141 VanDerWaalsContact O-CD 3.28Å; A139-P141 WeakPolarHBondContact O-CD 3.48Å |
| 140 | A | 52.4 | Low | 59.4 | Low | 69 Ų | 69 | 117.3 Ų | 117.3 | 57% | 0.57 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -68 | 118.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q136 | Q136-A140 PolarHBondContact O-N 3.15Š|
| 141 | P | 51.7 | Low | 56.6 | Low | 122 Ų | 122 | 116.6 Ų | 116.6 | 79% | 0.792 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 143.4 | 179.5 | -18.5 | 33 | 0 | 0 | 0 | 112.4 | A139 | A139-P141 VanDerWaalsContact O-CD 3.28Å; A139-P141 WeakPolarHBondContact O-CD 3.48Å |
| 142 | F | 45.2 | Very low | 54.3 | Low | 206 Ų | 206 | 117.1 Ų | 117.1 | 90% | 0.904 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 131 | 170.8 | -70.1 | -94.3 | 0 | 0 | 0 | 110.9 | ||
| 143 | P | 44.6 | Very low | 51.9 | Low | 124 Ų | 124 | 118.3 Ų | 118.3 | 81% | 0.805 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 138.3 | 169.6 | 29.4 | -33.2 | 0 | 0 | 0 | 110.9 | ||
| 144 | S | 39.9 | Very low | 49.5 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 164.6 | 177.7 | 66 | 0 | 0 | 0 | 0 | 112.3 | ||
| 145 | P | 54.8 | Low | 47.3 | Very low | 129 Ų | 129 | 115.3 Ų | 115.3 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 160.8 | -157.9 | 33.9 | -36.9 | 0 | 0 | 0 | 115.7 | ||
| 146 | A | 34 | Very low | 45.3 | Very low | 96 Ų | 96 | 114 Ų | 114 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | trans | -130.2 | 158.7 | 163 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 147 | P | 56.4 | Low | 43.5 | Very low | 124 Ų | 124 | 113.9 Ų | 113.9 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -109.9 | 175.1 | -146 | 40.5 | -36.8 | 0 | 0 | 0 | 116.9 | ||||
| 148 | A | 32.5 | Very low | 41.9 | Very low | 93 Ų | 93 | 115.7 Ų | 115.7 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 75.4 | 142.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 149 | S | 32.4 | Very low | 40.4 | Very low | 111 Ų | 111 | 116.5 Ų | 116.5 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | cis | -137.7 | -141.3 | -3.3 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 150 | P | 50.9 | Low | 39.1 | Very low | 123 Ų | 123 | 116.8 Ų | 116.8 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | -125 | 156.6 | -123.7 | 38 | -18.4 | 0 | 0 | 0 | 116.8 | |||||
| 151 | A | 29 | Very low | 38.1 | Very low | 100 Ų | 100 | 116 Ų | 116 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | 169.3 | 130.7 | 136.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 152 | I | 36.1 | Very low | 37.1 | Very low | 170 Ų | 170 | 118.5 Ų | 118.5 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -123.2 | 125.4 | 168.5 | -69.6 | 178.6 | 0 | 0 | 0 | 110.2 | ||||
| 153 | S | 34.4 | Very low | 36.6 | Very low | 113 Ų | 113 | 114.6 Ų | 114.6 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -159.7 | 143 | 153.7 | -76.2 | 0 | 0 | 0 | 0 | 105 | ||||
| 154 | V | 31.7 | Very low | 36.5 | Very low | 135 Ų | 135 | 117.4 Ų | 117.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -132 | 152.3 | 37.4 | 172.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 155 | V | 31.9 | Very low | 36.1 | Very low | 119 Ų | 119 | 115.4 Ų | 115.4 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | trans | -22.8 | 136.1 | 164.2 | 180 | 0 | 0 | 0 | 0 | 117.1 | V157 | V155-V157 HydrophobicContact CG1-CG2 3.65Š| ||
| 156 | G | 31.5 | Very low | 35.3 | Very low | 76 Ų | 76 | 119.7 Ų | 119.7 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -129.2 | 112.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 157 | V | 33.1 | Very low | 35.8 | Very low | 133 Ų | 133 | 120 Ų | 120 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | -84.4 | 144.5 | 179.3 | 173 | 0 | 0 | 0 | 0 | 110.6 | V155 | V155-V157 HydrophobicContact CG1-CG2 3.65Š| ||
| 158 | S | 33.6 | Very low | 35.5 | Very low | 112 Ų | 112 | 119.4 Ų | 119.4 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -103.1 | 161.6 | 174.7 | -71.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 159 | A | 34 | Very low | 36.1 | Very low | 107 Ų | 107 | 119.7 Ų | 119.7 | 88% | 0.884 | 78% | 0.777 | S | S | * | * | trans | 93.2 | 134.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 160 | G | 30.1 | Very low | 36.4 | Very low | 78 Ų | 78 | 118.8 Ų | 118.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 88 | 117.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 161 | G | 31.3 | Very low | 35.9 | Very low | 54 Ų | 54 | 122 Ų | 122 | 56% | 0.557 | 78% | 0.781 | S | S | * | * | cis | 175 | -173.8 | -5.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 162 | H | 32.5 | Very low | 36.7 | Very low | 173 Ų | 173 | 123 Ų | 123 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | 60.9 | 122 | 158 | -5 | -83.7 | 0 | 0 | 0 | 120.7 | ||||
| 163 | T | 34.8 | Very low | 37.3 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | trans | 57.7 | 121.3 | 138.2 | 57 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 164 | L | 40.8 | Very low | 38.4 | Very low | 182 Ų | 182 | 126.3 Ų | 126.3 | 95% | 0.953 | 77% | 0.774 | S | S | * | * | trans | 47.1 | 84.5 | 135.5 | -77.8 | 155.5 | 0 | 0 | 0 | 118.3 | ||||
| 165 | G | 32.2 | Very low | 39.4 | Very low | 70 Ų | 70 | 127.9 Ų | 127.9 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | -147.7 | 101.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P167 | G165-P167 WeakPolarHBondContact O-CD 3.28Š| ||
| 166 | R | 38.4 | Very low | 40.5 | Very low | 220 Ų | 220 | 128.5 Ų | 128.5 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 118.6 | 171.8 | 168.1 | 178.3 | 174.8 | -175.6 | 0.5 | 108.7 | ||
| 167 | P | 43.4 | Very low | 41.3 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 143.4 | 166.7 | -16.8 | 31.6 | 0 | 0 | 0 | 109.6 | G165 | G165-P167 WeakPolarHBondContact O-CD 3.28Š|
| 168 | P | 50.8 | Low | 42.4 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 146.4 | 171.2 | 27.8 | -34.1 | 0 | 0 | 0 | 109.7 | A170 | P168-A170 PolarHBondContact O-N 2.95Š|
| 169 | P | 44.8 | Very low | 42.9 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 129.5 | 172.4 | 27.3 | -33.2 | 0 | 0 | 0 | 109 | Q171 | P169-Q171 PolarHBondContact O-N 3.17Å; P169-Q171 VanDerWaalsContact O-N 3.14Å |
| 170 | A | 38.1 | Very low | 43.4 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 121.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | P168 V172 | P168-A170 PolarHBondContact O-N 2.95Å; A170-V172 PolarHBondContact O-N 2.96Å |
| 171 | Q | 41.9 | Very low | 44.4 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | trans | -77.6 | 87.9 | -170.5 | -169 | 169.8 | 5 | 0 | 0 | 109.9 | P169 P173 | P169-Q171 PolarHBondContact O-N 3.17Å; P169-Q171 VanDerWaalsContact O-N 3.14Å; Q171-P173 WeakPolarHBondContact O-CD 3.32Å | ||
| 172 | V | 45.7 | Very low | 45.5 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -57 | 122.7 | 179.4 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | A170 R174 | A170-V172 PolarHBondContact O-N 2.96Å; V172-R174 PolarHBondContact O-N 2.87Å | ||
| 173 | P | 48.3 | Very low | 46.5 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | trans | -56.8 | 133.7 | 176.6 | -26.3 | 35.5 | 0 | 0 | 0 | 111.3 | Q171 E175 | Q171-P173 WeakPolarHBondContact O-CD 3.32Å; P173-E175 PolarHBondContact O-N 3.16Å; P173-E175 VanDerWaalsContact O-N 3.15Å | ||
| 174 | R | 56.7 | Low | 47.6 | Very low | 252 Ų | 252 | 143 Ų | 143 | 95% | 0.951 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -78.8 | 16.9 | 175.1 | -82.9 | -171.4 | 164.6 | -155.5 | -3.7 | 113.6 | V172 V176 | V172-R174 PolarHBondContact O-N 2.87Å; R174-V176 PolarHBondContact O-N 2.95Å |
| 175 | E | 54.4 | Low | 48 | Very low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | trans | -87 | 92.1 | 173.5 | -64.9 | -171.7 | 175.4 | 0 | 0 | 109 | P173 L177 | P173-E175 PolarHBondContact O-N 3.16Å; P173-E175 VanDerWaalsContact O-N 3.15Å; E175-L177 PolarHBondContact O-N 3.14Å; E175-L177 VanDerWaalsContact O-N 3.13Å | ||
| 176 | V | 55 | Low | 49.9 | Very low | 132 Ų | 132 | 141 Ų | 141 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | trans | -57.9 | 116.9 | 169.8 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | R174 K178 | R174-V176 PolarHBondContact O-N 2.95Å; V176-K178 PolarHBondContact O-N 3.47Å | ||
| 177 | L | 47.8 | Very low | 51.8 | Low | 152 Ų | 152 | 133.2 Ų | 133.2 | 80% | 0.796 | 71% | 0.713 | S | S | * | * | trans | -57 | 109.5 | 172.3 | -81 | 87 | 0 | 0 | 0 | 108.4 | E175 V179 | E175-L177 PolarHBondContact O-N 3.14Å; E175-L177 VanDerWaalsContact O-N 3.13Å; L177-V179 PolarHBondContact O-N 3.31Å | ||
| 178 | K | 56.2 | Low | 53 | Low | 190 Ų | 190 | 139.1 Ų | 139.1 | 83% | 0.826 | 72% | 0.722 | S | S | * | * | trans | -67.8 | 86.1 | 166.3 | -84.5 | -175 | 173.3 | 178.2 | 0 | 108.1 | V176 Q180 | V176-K178 PolarHBondContact O-N 3.47Å; K178-Q180 VanDerWaalsContact C-N 3.3Å; K178-Q180 PolarHBondContact O-N 3.41Å | ||
| 179 | V | 43.9 | Very low | 54.1 | Low | 114 Ų | 114 | 141.4 Ų | 141.4 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | trans | -65.1 | 96.2 | 168.5 | -172.7 | 0 | 0 | 0 | 0 | 106.6 | L177 T181 | L177-V179 PolarHBondContact O-N 3.31Å; V179-T181 HydrophobicContact CB-CG2 4.47Å; V179-T181 HydrophobicContact CG1-CG2 3.75Å; V179-T181 PolarHBondContact O-N 2.86Å | ||
| 180 | Q | 43.7 | Very low | 55.6 | Low | 146 Ų | 146 | 141.5 Ų | 141.5 | 68% | 0.682 | 71% | 0.709 | S | S | * | * | trans | -72.2 | 72.7 | -177.3 | -167.2 | 72.3 | 21.2 | 0 | 0 | 109.7 | K178 H182 | K178-Q180 VanDerWaalsContact C-N 3.3Å; K178-Q180 PolarHBondContact O-N 3.41Å; Q180-H182 PolarHBondContact O-CD2 3.31Å; Q180-H182 PolarHBondContact O-N 3.37Å; Q180-H182 VanDerWaalsContact O-N 3.08Å | ||
| 181 | T | 52.5 | Low | 57.6 | Low | 86 Ų | 86 | 141.5 Ų | 141.5 | 53% | 0.528 | 70% | 0.696 | S | S | . | * | trans | -72.8 | 102.8 | -179.9 | 60.6 | 0 | 0 | 0 | 0 | 109.6 | V179 L183 | V179-T181 HydrophobicContact CB-CG2 4.47Å; V179-T181 HydrophobicContact CG1-CG2 3.75Å; V179-T181 PolarHBondContact O-N 2.86Å; T181-L183 PolarHBondContact O-N 3.13Å | ||
| 182 | H | 52.9 | Low | 59.4 | Low | 173 Ų | 173 | 138 Ų | 138 | 80% | 0.801 | 68% | 0.68 | S | S | * | * | trans | -70.3 | 70.1 | 168.5 | -74.6 | -100.7 | 0 | 0 | 0 | 110.3 | Q180 | Q180-H182 PolarHBondContact O-CD2 3.31Å; Q180-H182 PolarHBondContact O-N 3.37Å; Q180-H182 VanDerWaalsContact O-N 3.08Å | ||
| 183 | L | 53.5 | Low | 60.9 | Low | 107 Ų | 107 | 135.8 Ų | 135.8 | 56% | 0.56 | 66% | 0.661 | S | S | * | * | trans | -84.7 | 120.6 | 166.9 | -97 | 76.4 | 0 | 0 | 0 | 108.9 | T181 N185 T187 | T181-L183 PolarHBondContact O-N 3.13Å; L183-N185 PolarHBondContact O-N 2.85Å; L183-T187 HydrophobicContact CD2-CG2 3.65Å | ||
| 184 | E | 59.2 | Low | 62.4 | Low | 195 Ų | 195 | 133.2 Ų | 133.2 | 91% | 0.911 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -67 | -2.6 | 177.8 | -153.7 | 177.4 | 123.7 | 0 | 0 | 113.5 | ||
| 185 | N | 49.6 | Very low | 63.5 | Low | 119 Ų | 119 | 127.2 Ų | 127.2 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -133.3 | 132 | 174.1 | -76.6 | -106.1 | 0 | 0 | 0 | 108.7 | L183 T187 | L183-N185 PolarHBondContact O-N 2.85Å; N185-T187 PolarHBondContact O-N 2.8Å |
| 186 | P | 71.9 | Confident | 64.8 | Low | 91 Ų | 91 | 123.1 Ų | 123.1 | 59% | 0.591 | 60% | 0.603 | S | S | * | * | trans | -62.5 | 129.6 | 179.7 | 25.9 | -33.7 | 0 | 0 | 0 | 110.4 | H190 | P186-H190 HydrophobicContact CB-CB 4.31Š| ||
| 187 | T | 76.7 | Confident | 66.1 | Low | 57 Ų | 57 | 122.1 Ų | 122.1 | 35% | 0.35 | 59% | 0.59 | S | S | . | * | trans | -61.4 | 151.4 | 174.5 | 55.3 | 0 | 0 | 0 | 0 | 110.3 | L183 N185 Y189 H190 L191 | L183-T187 HydrophobicContact CD2-CG2 3.65Å; N185-T187 PolarHBondContact O-N 2.8Å; T187-Y189 PolarHBondContact O-N 3.01Å; T187-H190 PolarHBondContact O-N 3.44Å; T187-H190 PolarHBondContact OG1-ND1 2.89Å; T187-L191 PolarHBondContact O-N 2.95Å; T187-L191 VanDerWaalsContact O-N 3.08Å | ||
| 188 | R | 69.8 | Low | 67.8 | Low | 225 Ų | 225 | 121.6 Ų | 121.6 | 85% | 0.849 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -50.6 | -36.8 | -176.2 | -75.8 | -166.3 | 179.7 | -165.5 | 3.3 | 113.3 | L191 Q192 | R188-L191 PolarHBondContact O-N 3.38Å; R188-Q192 WeakPolarHBondContact O-CB 3.47Å; R188-Q192 PolarHBondContact O-N 3.33Å |
| 189 | Y | 73.3 | Confident | 69 | Low | 160 Ų | 160 | 114.4 Ų | 114.4 | 63% | 0.627 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -55.3 | -51.9 | 173.2 | -179.7 | -94.7 | 0 | 0 | 0 | 112.4 | T187 L191 Q192 Q193 | T187-Y189 PolarHBondContact O-N 3.01Å; Y189-L191 PolarHBondContact O-N 2.99Å; Y189-Q192 PolarHBondContact O-N 3.16Å; Y189-Q193 VanDerWaalsContact O-CB 3.24Å; Y189-Q193 WeakPolarHBondContact O-CB 3.48Å; Y189-Q193 PolarHBondContact O-N 3.4Å |
| 190 | H | 77.4 | Confident | 70.7 | Confident | 101 Ų | 101 | 111.2 Ų | 111.2 | 47% | 0.468 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 177.2 | -68.8 | 98.5 | 0 | 0 | 0 | 112.7 | P186 T187 A194 | P186-H190 HydrophobicContact CB-CB 4.31Å; T187-H190 PolarHBondContact O-N 3.44Å; T187-H190 PolarHBondContact OG1-ND1 2.89Å; H190-A194 WeakPolarHBondContact O-CB 3.41Å; H190-A194 PolarHBondContact O-N 3.19Å |
| 191 | L | 79.2 | Confident | 72.3 | Confident | 91 Ų | 91 | 111.1 Ų | 111.1 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 176.8 | -176.5 | 61.9 | 0 | 0 | 0 | 111.9 | T187 R188 Y189 R195 | T187-L191 PolarHBondContact O-N 2.95Å; T187-L191 VanDerWaalsContact O-N 3.08Å; R188-L191 PolarHBondContact O-N 3.38Å; Y189-L191 PolarHBondContact O-N 2.99Å; L191-R195 WeakPolarHBondContact O-CG 3.46Å; L191-R195 PolarHBondContact O-N 2.97Å |
| 192 | Q | 79 | Confident | 73.5 | Confident | 118 Ų | 118 | 113.7 Ų | 113.7 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -73 | -37.9 | 176.3 | -170.5 | 164.9 | -3.7 | 0 | 0 | 111.7 | R188 Y189 R195 R196 | R188-Q192 WeakPolarHBondContact O-CB 3.47Å; R188-Q192 PolarHBondContact O-N 3.33Å; Y189-Q192 PolarHBondContact O-N 3.16Å; Q192-R195 PolarHBondContact O-N 2.92Å; Q192-R196 PolarHBondContact O-N 3.33Å |
| 193 | Q | 77.8 | Confident | 74.6 | Confident | 73 Ų | 73 | 106.8 Ų | 106.8 | 34% | 0.341 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 172.8 | -170.9 | 177.5 | 11.1 | 0 | 0 | 111.7 | Y189 R196 Q197 | Y189-Q193 VanDerWaalsContact O-CB 3.24Å; Y189-Q193 WeakPolarHBondContact O-CB 3.48Å; Y189-Q193 PolarHBondContact O-N 3.4Å; Q193-R196 PolarHBondContact O-N 2.81Å; Q193-Q197 WeakPolarHBondContact O-CB 3.45Å; Q193-Q197 VanDerWaalsContact O-CG 3.29Å; Q193-Q197 WeakPolarHBondContact O-CG 3.39Å; Q193-Q197 PolarHBondContact O-N 3.32Å |
| 194 | A | 79.7 | Confident | 75.4 | Confident | 48 Ų | 48 | 104.7 Ų | 104.7 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H190 Q197 Q198 | H190-A194 WeakPolarHBondContact O-CB 3.41Å; H190-A194 PolarHBondContact O-N 3.19Å; A194-Q197 PolarHBondContact O-N 3.3Å; A194-Q198 WeakPolarHBondContact O-CB 3.49Å; A194-Q198 PolarHBondContact O-N 3.47Å |
| 195 | R | 80.3 | Confident | 75.7 | Confident | 126 Ų | 126 | 100 Ų | 100 | 48% | 0.475 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 170.8 | -75.8 | 178.8 | 175.1 | -140.7 | -1 | 111.8 | L191 Q192 Q197 Q198 V199 E272 | L191-R195 WeakPolarHBondContact O-CG 3.46Å; L191-R195 PolarHBondContact O-N 2.97Å; Q192-R195 PolarHBondContact O-N 2.92Å; R195-Q197 VanDerWaalsContact C-N 3.31Å; R195-Q197 PolarHBondContact O-N 2.89Å; R195-Q198 WeakPolarHBondContact O-CB 3.41Å; R195-Q198 PolarHBondContact O-N 3.07Å; R195-Q198 VanDerWaalsContact O-N 3.13Å; R195-V199 WeakPolarHBondContact O-CG2 3.37Å; R195-V199 PolarHBondContact O-N 3.49Å; R195-E272 IonicContact NH1-OE2 3.46Å; R195-E272 PolarHBondContact NH1-OE2 2.93Å |
| 196 | R | 81.8 | Confident | 76.2 | Confident | 81 Ų | 81 | 97.2 Ų | 97.2 | 31% | 0.306 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 176.5 | 170.2 | 152.7 | 165.1 | -165.6 | -13 | 111.9 | Q192 Q193 K200 D262 I265 D266 I269 | Q192-R196 PolarHBondContact O-N 3.33Å; Q193-R196 PolarHBondContact O-N 2.81Å; R196-K200 WeakPolarHBondContact O-CB 3.4Å; R196-K200 PolarHBondContact O-N 2.69Å; R196-D262 IonicContact CZ-OD1 3Å; R196-D262 VanDerWaalsContact CZ-OD1 3.26Å; R196-D262 IonicContact CZ-OD2 2.96Å; R196-D262 IonicContact NE-OD1 3.19Å; R196-D262 PolarHBondContact NE-OD1 3.01Å; R196-D262 IonicContact NH2-OD1 2.9Å; R196-D262 PolarHBondContact NH2-OD1 3.07Å; R196-D262 IonicContact NH2-OD2 2.92Å; R196-D262 PolarHBondContact NH2-OD2 3.27Å; R196-I265 HydrophobicContact CB-CG2 4.33Å; R196-I265 HydrophobicContact CG-CG2 3.93Å; R196-D266 IonicContact NH1-OD1 3.36Å; R196-D266 PolarHBondContact NH1-OD1 3.43Å; R196-D266 IonicContact NH1-OD2 3.26Å; R196-D266 PolarHBondContact NH1-OD2 3.34Å; R196-I269 HydrophobicContact CB-CD1 4.37Å |
| 197 | Q | 83 | Confident | 75.6 | Confident | 112 Ų | 112 | 97.9 Ų | 97.9 | 52% | 0.523 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 172.9 | -76.5 | 172 | -9.2 | 0 | 0 | 112.4 | Q193 A194 R195 K200 Q201 | Q193-Q197 WeakPolarHBondContact O-CB 3.45Å; Q193-Q197 VanDerWaalsContact O-CG 3.29Å; Q193-Q197 WeakPolarHBondContact O-CG 3.39Å; Q193-Q197 PolarHBondContact O-N 3.32Å; A194-Q197 PolarHBondContact O-N 3.3Å; R195-Q197 VanDerWaalsContact C-N 3.31Å; R195-Q197 PolarHBondContact O-N 2.89Å; Q197-K200 PolarHBondContact O-N 3.2Å; Q197-Q201 VanDerWaalsContact O-CB 3.31Å; Q197-Q201 WeakPolarHBondContact O-CB 3.4Å; Q197-Q201 PolarHBondContact O-N 2.89Å |
| 198 | Q | 82.8 | Confident | 74.7 | Confident | 140 Ų | 140 | 97.5 Ų | 97.5 | 65% | 0.654 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.7 | -44.2 | 176.8 | -172.4 | 178.2 | 15.2 | 0 | 0 | 111.9 | A194 R195 Q201 Y202 | A194-Q198 WeakPolarHBondContact O-CB 3.49Å; A194-Q198 PolarHBondContact O-N 3.47Å; R195-Q198 WeakPolarHBondContact O-CB 3.41Å; R195-Q198 PolarHBondContact O-N 3.07Å; R195-Q198 VanDerWaalsContact O-N 3.13Å; Q198-Q201 PolarHBondContact O-N 3.46Å; Q198-Y202 WeakPolarHBondContact O-CB 3.28Å; Q198-Y202 PolarHBondContact O-N 3.2Å |
| 199 | V | 81.3 | Confident | 73.7 | Confident | 39 Ų | 39 | 92 Ų | 92 | 24% | 0.236 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 175.5 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | R195 Q201 Y202 L203 I265 | R195-V199 WeakPolarHBondContact O-CG2 3.37Å; R195-V199 PolarHBondContact O-N 3.49Å; V199-Q201 VanDerWaalsContact C-N 3.34Å; V199-Q201 PolarHBondContact O-N 3.05Å; V199-Y202 WeakPolarHBondContact O-CB 3.17Å; V199-Y202 PolarHBondContact O-N 2.66Å; V199-Y202 VanDerWaalsContact O-N 3.16Å; V199-L203 HydrophobicContact CG1-CD1 4.07Å; V199-L203 HydrophobicContact CG1-CG 4.35Å; V199-L203 WeakPolarHBondContact O-CG 3.41Å; V199-L203 PolarHBondContact O-N 2.69Å; V199-I265 HydrophobicContact CB-CG2 4.47Å; V199-I265 HydrophobicContact CG1-CG1 3.96Å; V199-I265 HydrophobicContact CG1-CG2 4.38Å |
| 200 | K | 79.9 | Confident | 72.6 | Confident | 47 Ų | 47 | 93.6 Ų | 93.6 | 20% | 0.204 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 175.8 | -164 | 159.4 | -177.2 | 169.5 | 0 | 111.6 | R196 Q197 S204 E258 I261 D262 I265 | R196-K200 WeakPolarHBondContact O-CB 3.4Å; R196-K200 PolarHBondContact O-N 2.69Å; Q197-K200 PolarHBondContact O-N 3.2Å; K200-S204 VanDerWaalsContact O-CB 3.27Å; K200-S204 WeakPolarHBondContact O-CB 3.46Å; K200-S204 PolarHBondContact O-N 2.66Å; K200-S204 PolarHBondContact O-OG 2.77Å; K200-E258 WeakPolarHBondContact CE-OE1 3.44Å; K200-E258 IonicContact NZ-OE1 3.74Å; K200-E258 PolarHBondContact NZ-OE1 3.21Å; K200-I261 HydrophobicContact CG-CG2 4.47Å; K200-D262 IonicContact NZ-OD1 3.93Å; K200-D262 PolarHBondContact NZ-OD1 3.33Å; K200-D262 IonicContact NZ-OD2 2.71Å; K200-D262 PolarHBondContact NZ-OD2 2.69Å; K200-I265 HydrophobicContact CB-CD1 3.67Å; K200-I265 HydrophobicContact CD-CD1 4.2Å; K200-I265 HydrophobicContact CG-CD1 3.95Å |
| 201 | Q | 77.3 | Confident | 71.3 | Confident | 144 Ų | 144 | 96.9 Ų | 96.9 | 67% | 0.673 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.8 | -39.2 | 174.3 | -172.3 | 177.5 | 11.4 | 0 | 0 | 112.3 | Q197 Q198 V199 T205 | Q197-Q201 VanDerWaalsContact O-CB 3.31Å; Q197-Q201 WeakPolarHBondContact O-CB 3.4Å; Q197-Q201 PolarHBondContact O-N 2.89Å; Q198-Q201 PolarHBondContact O-N 3.46Å; V199-Q201 VanDerWaalsContact C-N 3.34Å; V199-Q201 PolarHBondContact O-N 3.05Å; Q201-T205 WeakPolarHBondContact O-CB 3.42Å; Q201-T205 WeakPolarHBondContact O-CG2 3.44Å; Q201-T205 PolarHBondContact O-N 3.13Å |
| 202 | Y | 76.3 | Confident | 69.5 | Low | 141 Ų | 141 | 97.2 Ų | 97.2 | 55% | 0.553 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.1 | -51.8 | 175.2 | -178.4 | -103.6 | 0 | 0 | 0 | 111.5 | Q198 V199 S204 T205 T206 | Q198-Y202 WeakPolarHBondContact O-CB 3.28Å; Q198-Y202 PolarHBondContact O-N 3.2Å; V199-Y202 WeakPolarHBondContact O-CB 3.17Å; V199-Y202 PolarHBondContact O-N 2.66Å; V199-Y202 VanDerWaalsContact O-N 3.16Å; Y202-S204 PolarHBondContact O-N 2.98Å; Y202-T205 WeakPolarHBondContact O-CG2 3.42Å; Y202-T205 PolarHBondContact O-N 3.27Å; Y202-T206 PolarHBondContact O-N 3.09Å; Y202-T206 PolarHBondContact O-OG1 3.43Å |
| 203 | L | 76.3 | Confident | 67.7 | Low | 27 Ų | 27 | 97.1 Ų | 97.1 | 14% | 0.141 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 176.9 | -64.9 | 173.3 | 0 | 0 | 0 | 111.5 | V199 T206 L207 I265 | V199-L203 HydrophobicContact CG1-CD1 4.07Å; V199-L203 HydrophobicContact CG1-CG 4.35Å; V199-L203 WeakPolarHBondContact O-CG 3.41Å; V199-L203 PolarHBondContact O-N 2.69Å; L203-T206 PolarHBondContact O-N 3.05Å; L203-L207 WeakPolarHBondContact O-CB 3.31Å; L203-L207 VanDerWaalsContact O-CG 3.3Å; L203-L207 WeakPolarHBondContact O-CG 3.42Å; L203-L207 PolarHBondContact O-N 3.17Å; L203-L207 VanDerWaalsContact O-N 3.11Å; L203-I265 HydrophobicContact CD1-CD1 4.22Å; L203-I265 HydrophobicContact CD1-CG1 3.71Å |
| 204 | S | 70.9 | Confident | 66 | Low | 64 Ų | 64 | 103 Ų | 103 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65 | -36.6 | 176.2 | -67.7 | 0 | 0 | 0 | 0 | 113.9 | K200 Y202 G208 | K200-S204 VanDerWaalsContact O-CB 3.27Å; K200-S204 WeakPolarHBondContact O-CB 3.46Å; K200-S204 PolarHBondContact O-N 2.66Å; K200-S204 PolarHBondContact O-OG 2.77Å; Y202-S204 PolarHBondContact O-N 2.98Å; S204-G208 WeakPolarHBondContact O-CA 3.37Å; S204-G208 PolarHBondContact O-N 3.1Å |
| 205 | T | 65.8 | Low | 63.7 | Low | 95 Ų | 95 | 105.5 Ų | 105.5 | 58% | 0.583 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -77.2 | -29.8 | 178.7 | -161.2 | 0 | 0 | 0 | 0 | 112.5 | Q201 Y202 G208 P209 | Q201-T205 WeakPolarHBondContact O-CB 3.42Å; Q201-T205 WeakPolarHBondContact O-CG2 3.44Å; Q201-T205 PolarHBondContact O-N 3.13Å; Y202-T205 WeakPolarHBondContact O-CG2 3.42Å; Y202-T205 PolarHBondContact O-N 3.27Å; T205-G208 PolarHBondContact O-N 2.93Å; T205-P209 WeakPolarHBondContact O-CD 3.42Å |
| 206 | T | 59.9 | Low | 61.5 | Low | 61 Ų | 61 | 107.5 Ų | 107.5 | 37% | 0.374 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -74.1 | -28.9 | 174.9 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | Y202 L203 M248 | Y202-T206 PolarHBondContact O-N 3.09Å; Y202-T206 PolarHBondContact O-OG1 3.43Å; L203-T206 PolarHBondContact O-N 3.05Å; T206-M248 HydrophobicContact CG2-CE 3.93Å; T206-M248 HydrophobicContact CG2-SD 4.39Å |
| 207 | L | 58.7 | Low | 59.2 | Low | 105 Ų | 105 | 110.1 Ų | 110.1 | 55% | 0.55 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -87.2 | -13 | 172.6 | -64.8 | 171.2 | 0 | 0 | 0 | 113.9 | L203 | L203-L207 WeakPolarHBondContact O-CB 3.31Å; L203-L207 VanDerWaalsContact O-CG 3.3Å; L203-L207 WeakPolarHBondContact O-CG 3.42Å; L203-L207 PolarHBondContact O-N 3.17Å; L203-L207 VanDerWaalsContact O-N 3.11Å |
| 208 | G | 57.7 | Low | 57 | Low | 49 Ų | 49 | 110.6 Ų | 110.6 | 51% | 0.505 | 63% | 0.63 | S | S | . | * | trans | -76.1 | -29.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 120 | S204 T205 K210 | S204-G208 WeakPolarHBondContact O-CA 3.37Å; S204-G208 PolarHBondContact O-N 3.1Å; T205-G208 PolarHBondContact O-N 2.93Å; G208-K210 PolarHBondContact O-N 3.18Å | ||
| 209 | P | 48.9 | Very low | 55.6 | Low | 109 Ų | 109 | 109.7 Ų | 109.7 | 71% | 0.708 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 64.4 | -163.9 | 34.8 | -36.9 | 0 | 0 | 0 | 113.7 | T205 | T205-P209 WeakPolarHBondContact O-CD 3.42Š|
| 210 | K | 51.1 | Low | 53.6 | Low | 194 Ų | 194 | 113.8 Ų | 113.8 | 84% | 0.843 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.9 | -3.8 | 175.2 | -97.4 | -110.6 | 175.8 | 174.5 | 0 | 117.2 | G208 | G208-K210 PolarHBondContact O-N 3.18Š|
| 211 | L | 49.6 | Very low | 51.1 | Low | 171 Ų | 171 | 115.1 Ų | 115.1 | 90% | 0.895 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -125.4 | -0.1 | -175.5 | -66.6 | 176.4 | 0 | 0 | 0 | 115.7 | ||
| 212 | A | 41.8 | Very low | 49.8 | Very low | 97 Ų | 97 | 114.5 Ų | 114.5 | 80% | 0.802 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -104.2 | 24.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 213 | S | 40.8 | Very low | 47.5 | Very low | 117 Ų | 117 | 115 Ų | 115 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -147.2 | 44.5 | -173 | -52.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 214 | Q | 42.2 | Very low | 45.6 | Very low | 197 Ų | 197 | 119.2 Ų | 119.2 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | trans | -160.5 | 95.3 | 161.2 | -116.5 | -165.3 | 104.9 | 0 | 0 | 111.3 | ||||
| 215 | A | 30.4 | Very low | 43.8 | Very low | 99 Ų | 99 | 120.8 Ų | 120.8 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -174.3 | 81.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 216 | L | 34.4 | Very low | 42.2 | Very low | 169 Ų | 169 | 124.3 Ų | 124.3 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | trans | -153.6 | 40.7 | 169.7 | -126.5 | 172.9 | 0 | 0 | 0 | 114.7 | ||||
| 217 | T | 33.6 | Very low | 41.7 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | -142.2 | 138.5 | 167.4 | 43.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 218 | P | 36.4 | Very low | 40.5 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | -86.5 | 164 | 176.2 | 34.5 | -34.3 | 0 | 0 | 0 | 113.2 | ||||
| 219 | P | 54.3 | Low | 39.4 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | -95.2 | 173.8 | -167.1 | 38.8 | -38.1 | 0 | 0 | 0 | 114.6 | ||||
| 220 | P | 39.4 | Very low | 38.7 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | -143.2 | 154.6 | 122 | 38.8 | -26.9 | 0 | 0 | 0 | 116.4 | |||||
| 221 | G | 27.8 | Very low | 38.4 | Very low | 74 Ų | 74 | 127.8 Ų | 127.8 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | 78.9 | 113.8 | 132.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 222 | P | 48.9 | Very low | 37.4 | Very low | 131 Ų | 131 | 129 Ų | 129 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -97.8 | 146 | 171.5 | 36.7 | -32 | 0 | 0 | 0 | 113.7 | ||||
| 223 | T | 28.4 | Very low | 36.9 | Very low | 152 Ų | 152 | 128.6 Ų | 128.6 | 93% | 0.933 | 81% | 0.813 | S | S | * | * | trans | -160.8 | 160.7 | 154.7 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 224 | S | 36.1 | Very low | 36.4 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -132.5 | 126.7 | -166.4 | 170.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 225 | A | 32.7 | Very low | 35.9 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -158.1 | 146.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 226 | Q | 33.7 | Very low | 36.2 | Very low | 169 Ų | 169 | 126.3 Ų | 126.3 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -119.6 | 172.3 | 165.6 | -85.8 | -79.9 | -41 | 0 | 0 | 106.7 | ||||
| 227 | P | 48.3 | Very low | 36.1 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | cis | -141.5 | 158.6 | 16.1 | 39.9 | -20.9 | 0 | 0 | 0 | 118.9 | ||||
| 228 | L | 34.3 | Very low | 36.3 | Very low | 152 Ų | 152 | 121.7 Ų | 121.7 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | 59.6 | 171.1 | 155.8 | -90.1 | 81.4 | 0 | 0 | 0 | 118.6 | ||||
| 229 | P | 35.2 | Very low | 36.7 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | cis | -111.5 | -179.4 | -10.7 | 40.8 | -29.5 | 0 | 0 | 0 | 113 | ||||
| 230 | A | 33.4 | Very low | 36.3 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -147.8 | 124.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 231 | P | 45.1 | Very low | 36.4 | Very low | 116 Ų | 116 | 121 Ų | 121 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -129.8 | 141.5 | 151.8 | 36.4 | -24 | 0 | 0 | 0 | 112.4 | ||||
| 232 | E | 27.8 | Very low | 36.8 | Very low | 196 Ų | 196 | 123.1 Ų | 123.1 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | 175.4 | 171.3 | 132.2 | -99.6 | -154 | 98.6 | 0 | 0 | 114.5 | ||||
| 233 | A | 31.5 | Very low | 36.3 | Very low | 88 Ų | 88 | 120.1 Ų | 120.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -76.9 | 171.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 234 | A | 30.1 | Very low | 37.2 | Very low | 75 Ų | 75 | 118.5 Ų | 118.5 | 62% | 0.62 | 77% | 0.772 | S | S | * | * | cis | -169.6 | -168.6 | -23.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 235 | H | 31.6 | Very low | 37.8 | Very low | 169 Ų | 169 | 120.4 Ų | 120.4 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | trans | 74.1 | 96.7 | 164.2 | -60.3 | -73.5 | 0 | 0 | 0 | 119.9 | ||||
| 236 | T | 38.1 | Very low | 38.2 | Very low | 121 Ų | 121 | 118.5 Ų | 118.5 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | 44.2 | 113.8 | 127.2 | 57.7 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 237 | T | 31.1 | Very low | 39 | Very low | 149 Ų | 149 | 115.8 Ų | 115.8 | 91% | 0.914 | 75% | 0.751 | S | S | * | * | -162.3 | 132.2 | 113.9 | 17.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 238 | G | 38.3 | Very low | 39.1 | Very low | 59 Ų | 59 | 115.7 Ų | 115.7 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | trans | -109.9 | 140.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | T240 | G238-T240 PolarHBondContact O-N 2.87Š| ||
| 239 | P | 44.8 | Very low | 40 | Very low | 138 Ų | 138 | 111.5 Ų | 111.5 | 90% | 0.896 | 73% | 0.73 | S | S | * | * | trans | -75.9 | 91.7 | -177.9 | 30.3 | -34.4 | 0 | 0 | 0 | 111.6 | G241 | P239-G241 PolarHBondContact O-N 3.37Š| ||
| 240 | T | 45.5 | Very low | 40.6 | Very low | 146 Ų | 146 | 113.2 Ų | 113.2 | 90% | 0.896 | 73% | 0.732 | S | S | * | * | trans | -62.8 | 115.5 | 162.2 | 49.5 | 0 | 0 | 0 | 0 | 109.3 | G238 | G238-T240 PolarHBondContact O-N 2.87Š| ||
| 241 | G | 41.3 | Very low | 41.6 | Very low | 71 Ų | 71 | 113 Ų | 113 | 73% | 0.732 | 72% | 0.716 | S | S | * | * | trans | -147 | -3.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | P239 | P239-G241 PolarHBondContact O-N 3.37Š| ||
| 242 | S | 37.7 | Very low | 41.9 | Very low | 117 Ų | 117 | 113.7 Ų | 113.7 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -150.9 | 142.8 | 174.5 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 243 | A | 37.6 | Very low | 43.1 | Very low | 68 Ų | 68 | 107.1 Ų | 107.1 | 56% | 0.562 | 69% | 0.689 | S | S | * | * | trans | -73.5 | 137.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N245 S246 | A243-N245 PolarHBondContact O-N 3.18Å; A243-N245 VanDerWaalsContact O-N 3.11Å; A243-S246 PolarHBondContact O-N 3.39Å | ||
| 244 | P | 47.3 | Very low | 43.9 | Very low | 119 Ų | 119 | 104.9 Ų | 104.9 | 77% | 0.773 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -11.9 | -175.7 | 28 | -35.9 | 0 | 0 | 0 | 114.2 | ||
| 245 | N | 48.3 | Very low | 45.1 | Very low | 156 Ų | 156 | 107.8 Ų | 107.8 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 17.3 | -179 | -65 | 5.5 | 0 | 0 | 0 | 113.2 | A243 | A243-N245 PolarHBondContact O-N 3.18Å; A243-N245 VanDerWaalsContact O-N 3.11Å |
| 246 | S | 41.2 | Very low | 46 | Very low | 56 Ų | 56 | 103.1 Ų | 103.1 | 39% | 0.392 | 68% | 0.676 | S | S | . | * | trans | -85.6 | 127.3 | 172.7 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | A243 M248 A249 | A243-S246 PolarHBondContact O-N 3.39Å; S246-M248 PolarHBondContact O-N 2.98Å; S246-A249 WeakPolarHBondContact O-CB 3.26Å; S246-A249 PolarHBondContact O-N 2.82Å; S246-A249 VanDerWaalsContact O-N 3.09Å | ||
| 247 | P | 51.7 | Low | 47 | Very low | 111 Ų | 111 | 100.3 Ų | 100.3 | 72% | 0.721 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -63.9 | -16.1 | -177.7 | 26.5 | -35.1 | 0 | 0 | 0 | 113.6 | A249 | P247-A249 VanDerWaalsContact C-N 3.28Å; P247-A249 PolarHBondContact O-N 3.19Å |
| 248 | M | 49.6 | Very low | 48.5 | Very low | 103 Ų | 103 | 99.4 Ų | 99.4 | 51% | 0.507 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -70.6 | -17.8 | 175.1 | -72 | -139.1 | 68.5 | 0 | 0 | 114.3 | T206 S246 L250 | T206-M248 HydrophobicContact CG2-CE 3.93Å; T206-M248 HydrophobicContact CG2-SD 4.39Å; S246-M248 PolarHBondContact O-N 2.98Å; M248-L250 PolarHBondContact O-N 2.89Å |
| 249 | A | 53.7 | Low | 49.8 | Very low | 64 Ų | 64 | 104.1 Ų | 104.1 | 53% | 0.529 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -71.8 | -13.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S246 P247 | S246-A249 WeakPolarHBondContact O-CB 3.26Å; S246-A249 PolarHBondContact O-N 2.82Å; S246-A249 VanDerWaalsContact O-N 3.09Å; P247-A249 VanDerWaalsContact C-N 3.28Å; P247-A249 PolarHBondContact O-N 3.19Å |
| 250 | L | 47.2 | Very low | 50.9 | Low | 153 Ų | 153 | 101.7 Ų | 101.7 | 80% | 0.801 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -87.6 | -16.4 | -178.5 | -68.9 | 172.9 | 0 | 0 | 0 | 113.8 | M248 T252 | M248-L250 PolarHBondContact O-N 2.89Å; L250-T252 PolarHBondContact O-N 2.94Å |
| 251 | L | 53.5 | Low | 52.2 | Low | 99 Ų | 99 | 96.6 Ų | 96.6 | 52% | 0.518 | 59% | 0.594 | S | S | . | * | trans | -83.4 | 63.1 | -178.1 | -61.6 | -179.2 | 0 | 0 | 0 | 111.7 | I253 | L251-I253 PolarHBondContact O-N 3.41Š| ||
| 252 | T | 51.4 | Low | 53.7 | Low | 129 Ų | 129 | 94.3 Ų | 94.3 | 79% | 0.791 | 57% | 0.565 | S | S | * | * | trans | -74.2 | 68.3 | 171 | -51.9 | 0 | 0 | 0 | 0 | 110 | L250 G254 | L250-T252 PolarHBondContact O-N 2.94Å; T252-G254 PolarHBondContact O-N 3.42Å; T252-G254 VanDerWaalsContact O-N 3.15Å | ||
| 253 | I | 54.3 | Low | 55.5 | Low | 59 Ų | 59 | 93.8 Ų | 93.8 | 30% | 0.303 | 55% | 0.553 | S | S | . | * | trans | -72.3 | 106.1 | 173.9 | -58.9 | 176.4 | 0 | 0 | 0 | 107.4 | L251 | L251-I253 PolarHBondContact O-N 3.41Š| ||
| 254 | G | 48.6 | Very low | 57.5 | Low | 40 Ų | 40 | 92.5 Ų | 92.5 | 41% | 0.412 | 54% | 0.538 | S | S | . | . | trans | -62.6 | 157.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | T252 S256 | T252-G254 PolarHBondContact O-N 3.42Å; T252-G254 VanDerWaalsContact O-N 3.15Å; G254-S256 PolarHBondContact O-N 3.09Å | ||
| 255 | S | 53.6 | Low | 59 | Low | 136 Ų | 136 | 86.8 Ų | 86.8 | 95% | 0.951 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -78.3 | 62.7 | -175.5 | 62.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 256 | S | 52.3 | Low | 60.4 | Low | 72 Ų | 72 | 82.7 Ų | 82.7 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | trans | -149.8 | 128.5 | 176.3 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | G254 E260 | G254-S256 PolarHBondContact O-N 3.09Å; S256-E260 VanDerWaalsContact O-OE1 3.14Å | ||
| 257 | S | 57.3 | Low | 62.3 | Low | 62 Ų | 62 | 85.7 Ų | 85.7 | 43% | 0.434 | 49% | 0.487 | S | S | . | . | trans | 74.9 | 132.2 | 170 | 97.3 | 0 | 0 | 0 | 0 | 118.4 | K259 E260 | S257-K259 PolarHBondContact O-N 2.92Å; S257-E260 WeakPolarHBondContact OG-CG 3.44Å; S257-E260 PolarHBondContact OG-N 3.06Å; S257-E260 VanDerWaalsContact OG-N 3.14Å; S257-E260 PolarHBondContact OG-OE1 3.49Å; S257-E260 VanDerWaalsContact OG-OE1 3.13Å | ||
| 258 | E | 62.6 | Low | 63.6 | Low | 130 Ų | 130 | 83.8 Ų | 83.8 | 61% | 0.607 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -69.7 | -18.7 | 166.6 | -178.5 | 174.7 | -165.3 | 0 | 0 | 112 | K200 D262 | K200-E258 WeakPolarHBondContact CE-OE1 3.44Å; K200-E258 IonicContact NZ-OE1 3.74Å; K200-E258 PolarHBondContact NZ-OE1 3.21Å; E258-D262 PolarHBondContact O-N 2.67Å; E258-D262 VanDerWaalsContact O-N 3.13Å |
| 259 | K | 66.6 | Low | 65 | Low | 157 Ų | 157 | 80.1 Ų | 80.1 | 68% | 0.683 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -69.9 | -49.5 | -179.5 | -73.8 | -173.7 | 173.7 | -175.4 | 0 | 112 | S257 I261 D262 D263 | S257-K259 PolarHBondContact O-N 2.92Å; K259-I261 PolarHBondContact O-N 3.3Å; K259-I261 VanDerWaalsContact O-N 3.14Å; K259-D262 CarbonylContact O-C 3.53Å; K259-D262 WeakPolarHBondContact O-CA 3.4Å; K259-D262 PolarHBondContact O-N 2.87Å; K259-D263 WeakPolarHBondContact O-CB 3.26Å; K259-D263 VanDerWaalsContact O-CG 3.27Å; K259-D263 PolarHBondContact O-N 3Å |
| 260 | E | 68.4 | Low | 66.1 | Low | 88 Ų | 88 | 80.6 Ų | 80.6 | 41% | 0.411 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56 | -34.6 | 177.1 | -74.7 | 163.7 | -124.6 | 0 | 0 | 111.8 | S256 S257 V264 | S256-E260 VanDerWaalsContact O-OE1 3.14Å; S257-E260 WeakPolarHBondContact OG-CG 3.44Å; S257-E260 PolarHBondContact OG-N 3.06Å; S257-E260 VanDerWaalsContact OG-N 3.14Å; S257-E260 PolarHBondContact OG-OE1 3.49Å; S257-E260 VanDerWaalsContact OG-OE1 3.13Å; E260-V264 WeakPolarHBondContact O-CB 3.46Å; E260-V264 VanDerWaalsContact O-CG2 3.25Å; E260-V264 WeakPolarHBondContact O-CG2 3.3Å; E260-V264 PolarHBondContact O-N 3.08Å |
| 261 | I | 71.6 | Confident | 67.2 | Low | 39 Ų | 39 | 78.2 Ų | 78.2 | 20% | 0.2 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67.9 | -45 | 174.1 | -58.3 | 175.5 | 0 | 0 | 0 | 111.3 | K200 K259 I265 | K200-I261 HydrophobicContact CG-CG2 4.47Å; K259-I261 PolarHBondContact O-N 3.3Å; K259-I261 VanDerWaalsContact O-N 3.14Å; I261-I265 HydrophobicContact CG2-CD1 3.95Å; I261-I265 WeakPolarHBondContact O-CD1 3.25Å; I261-I265 WeakPolarHBondContact O-CG1 3.39Å; I261-I265 PolarHBondContact O-N 3.15Å |
| 262 | D | 73.4 | Confident | 67.8 | Low | 23 Ų | 23 | 78.3 Ų | 78.3 | 12% | 0.123 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -70.6 | -34.2 | 177.8 | -82.7 | -39.7 | 0 | 0 | 0 | 112.9 | R196 K200 E258 K259 I265 D266 | R196-D262 IonicContact CZ-OD1 3Å; R196-D262 VanDerWaalsContact CZ-OD1 3.26Å; R196-D262 IonicContact CZ-OD2 2.96Å; R196-D262 IonicContact NE-OD1 3.19Å; R196-D262 PolarHBondContact NE-OD1 3.01Å; R196-D262 IonicContact NH2-OD1 2.9Å; R196-D262 PolarHBondContact NH2-OD1 3.07Å; R196-D262 IonicContact NH2-OD2 2.92Å; R196-D262 PolarHBondContact NH2-OD2 3.27Å; K200-D262 IonicContact NZ-OD1 3.93Å; K200-D262 PolarHBondContact NZ-OD1 3.33Å; K200-D262 IonicContact NZ-OD2 2.71Å; K200-D262 PolarHBondContact NZ-OD2 2.69Å; E258-D262 PolarHBondContact O-N 2.67Å; E258-D262 VanDerWaalsContact O-N 3.13Å; K259-D262 CarbonylContact O-C 3.53Å; K259-D262 WeakPolarHBondContact O-CA 3.4Å; K259-D262 PolarHBondContact O-N 2.87Å; D262-I265 PolarHBondContact O-N 3.49Å; D262-D266 PolarHBondContact O-N 2.96Å |
| 263 | D | 76.4 | Confident | 68.2 | Low | 105 Ų | 105 | 75.6 Ų | 75.6 | 56% | 0.561 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65.5 | -44.2 | 174.5 | -66.2 | -39.1 | 0 | 0 | 0 | 110.6 | K259 I265 D266 E267 | K259-D263 WeakPolarHBondContact O-CB 3.26Å; K259-D263 VanDerWaalsContact O-CG 3.27Å; K259-D263 PolarHBondContact O-N 3Å; D263-I265 VanDerWaalsContact C-N 3.33Å; D263-I265 PolarHBondContact O-N 3.38Å; D263-D266 PolarHBondContact O-N 3.33Å; D263-E267 PolarHBondContact O-N 3.12Å |
| 264 | V | 77.8 | Confident | 68.4 | Low | 41 Ų | 41 | 75.6 Ų | 75.6 | 25% | 0.248 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.9 | -34.6 | 172.6 | 167.3 | 0 | 0 | 0 | 0 | 111.9 | E260 E267 I268 | E260-V264 WeakPolarHBondContact O-CB 3.46Å; E260-V264 VanDerWaalsContact O-CG2 3.25Å; E260-V264 WeakPolarHBondContact O-CG2 3.3Å; E260-V264 PolarHBondContact O-N 3.08Å; V264-E267 PolarHBondContact O-N 3.38Å; V264-I268 HydrophobicContact CG1-CD1 3.78Å; V264-I268 HydrophobicContact CG1-CG1 4.43Å; V264-I268 WeakPolarHBondContact O-CB 3.22Å; V264-I268 WeakPolarHBondContact O-CD1 3.38Å; V264-I268 WeakPolarHBondContact O-CG1 3.43Å; V264-I268 PolarHBondContact O-N 2.72Å |
| 265 | I | 78.7 | Confident | 68.8 | Low | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67.1 | -44 | 174 | -70.3 | 161.7 | 0 | 0 | 0 | 111 | R196 V199 K200 L203 I261 D262 D263 E267 I268 I269 | R196-I265 HydrophobicContact CB-CG2 4.33Å; R196-I265 HydrophobicContact CG-CG2 3.93Å; V199-I265 HydrophobicContact CB-CG2 4.47Å; V199-I265 HydrophobicContact CG1-CG1 3.96Å; V199-I265 HydrophobicContact CG1-CG2 4.38Å; K200-I265 HydrophobicContact CB-CD1 3.67Å; K200-I265 HydrophobicContact CD-CD1 4.2Å; K200-I265 HydrophobicContact CG-CD1 3.95Å; L203-I265 HydrophobicContact CD1-CD1 4.22Å; L203-I265 HydrophobicContact CD1-CG1 3.71Å; I261-I265 HydrophobicContact CG2-CD1 3.95Å; I261-I265 WeakPolarHBondContact O-CD1 3.25Å; I261-I265 WeakPolarHBondContact O-CG1 3.39Å; I261-I265 PolarHBondContact O-N 3.15Å; D262-I265 PolarHBondContact O-N 3.49Å; D263-I265 VanDerWaalsContact C-N 3.33Å; D263-I265 PolarHBondContact O-N 3.38Å; I265-E267 VanDerWaalsContact C-N 3.32Å; I265-I268 PolarHBondContact O-N 2.83Å; I265-I269 HydrophobicContact CG2-CD1 3.62Å; I265-I269 HydrophobicContact CG2-CG1 4.3Å; I265-I269 WeakPolarHBondContact O-CB 3.4Å; I265-I269 VanDerWaalsContact O-CG1 3.28Å; I265-I269 WeakPolarHBondContact O-CG1 3.41Å; I265-I269 PolarHBondContact O-N 3.46Å |
| 266 | D | 78.4 | Confident | 68.9 | Low | 69 Ų | 69 | 78.7 Ų | 78.7 | 37% | 0.369 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.9 | -29.6 | 178.6 | -74.4 | -11.1 | 0 | 0 | 0 | 111.1 | R196 D262 D263 S270 | R196-D266 IonicContact NH1-OD1 3.36Å; R196-D266 PolarHBondContact NH1-OD1 3.43Å; R196-D266 IonicContact NH1-OD2 3.26Å; R196-D266 PolarHBondContact NH1-OD2 3.34Å; D262-D266 PolarHBondContact O-N 2.96Å; D263-D266 PolarHBondContact O-N 3.33Å; D266-S270 VanDerWaalsContact O-CB 3.25Å; D266-S270 WeakPolarHBondContact O-CB 3.21Å; D266-S270 PolarHBondContact O-N 2.97Å; D266-S270 PolarHBondContact O-OG 3.06Å |
| 267 | E | 80.8 | Confident | 68.8 | Low | 119 Ų | 119 | 78.8 Ų | 78.8 | 56% | 0.556 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.4 | -50.5 | 166.8 | -171.6 | -179.4 | -177 | 0 | 0 | 111.8 | D263 V264 I265 I269 S270 L271 | D263-E267 PolarHBondContact O-N 3.12Å; V264-E267 PolarHBondContact O-N 3.38Å; I265-E267 VanDerWaalsContact C-N 3.32Å; E267-I269 VanDerWaalsContact C-N 3.33Å; E267-I269 PolarHBondContact O-N 3.11Å; E267-S270 CarbonylContact O-C 3.58Å; E267-S270 WeakPolarHBondContact O-CB 3.35Å; E267-S270 PolarHBondContact O-N 3.02Å; E267-S270 VanDerWaalsContact O-N 3.11Å; E267-L271 HydrophobicContact CG-CD1 3.96Å; E267-L271 HydrophobicContact CG-CG 4.41Å; E267-L271 WeakPolarHBondContact O-CB 3.49Å; E267-L271 WeakPolarHBondContact O-CG 3.26Å; E267-L271 PolarHBondContact O-N 3.31Å |
| 268 | I | 79.7 | Confident | 68.5 | Low | 72 Ų | 72 | 80.2 Ų | 80.2 | 37% | 0.369 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 178.2 | -72.3 | 165.2 | 0 | 0 | 0 | 111.5 | V264 I265 S270 L271 E272 | V264-I268 HydrophobicContact CG1-CD1 3.78Å; V264-I268 HydrophobicContact CG1-CG1 4.43Å; V264-I268 WeakPolarHBondContact O-CB 3.22Å; V264-I268 WeakPolarHBondContact O-CD1 3.38Å; V264-I268 WeakPolarHBondContact O-CG1 3.43Å; V264-I268 PolarHBondContact O-N 2.72Å; I265-I268 PolarHBondContact O-N 2.83Å; I268-S270 VanDerWaalsContact C-N 3.34Å; I268-L271 PolarHBondContact O-N 3.03Å; I268-E272 PolarHBondContact O-N 3.16Å |
| 269 | I | 78.2 | Confident | 67.8 | Low | 26 Ų | 26 | 79.2 Ų | 79.2 | 13% | 0.133 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.2 | -33.7 | 177.8 | -68.9 | 171.5 | 0 | 0 | 0 | 111 | R196 I265 E267 S273 | R196-I269 HydrophobicContact CB-CD1 4.37Å; I265-I269 HydrophobicContact CG2-CD1 3.62Å; I265-I269 HydrophobicContact CG2-CG1 4.3Å; I265-I269 WeakPolarHBondContact O-CB 3.4Å; I265-I269 VanDerWaalsContact O-CG1 3.28Å; I265-I269 WeakPolarHBondContact O-CG1 3.41Å; I265-I269 PolarHBondContact O-N 3.46Å; E267-I269 VanDerWaalsContact C-N 3.33Å; E267-I269 PolarHBondContact O-N 3.11Å; I269-S273 WeakPolarHBondContact O-CB 3.27Å; I269-S273 PolarHBondContact O-N 3.46Å; I269-S273 PolarHBondContact O-OG 2.87Å |
| 270 | S | 77.4 | Confident | 67.1 | Low | 74 Ų | 74 | 75.1 Ų | 75.1 | 52% | 0.517 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.8 | -38.8 | 173.7 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | D266 E267 I268 S273 S274 | D266-S270 VanDerWaalsContact O-CB 3.25Å; D266-S270 WeakPolarHBondContact O-CB 3.21Å; D266-S270 PolarHBondContact O-N 2.97Å; D266-S270 PolarHBondContact O-OG 3.06Å; E267-S270 CarbonylContact O-C 3.58Å; E267-S270 WeakPolarHBondContact O-CB 3.35Å; E267-S270 PolarHBondContact O-N 3.02Å; E267-S270 VanDerWaalsContact O-N 3.11Å; I268-S270 VanDerWaalsContact C-N 3.34Å; S270-S273 WeakPolarHBondContact O-CB 3.42Å; S270-S273 PolarHBondContact O-N 3.44Å; S270-S274 WeakPolarHBondContact O-CB 3.31Å; S270-S274 PolarHBondContact O-N 3.45Å |
| 271 | L | 71.2 | Confident | 66.1 | Low | 102 Ų | 102 | 74.5 Ų | 74.5 | 53% | 0.534 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 174.4 | -72.4 | 168.6 | 0 | 0 | 0 | 112.1 | E267 I268 S273 S274 Y275 | E267-L271 HydrophobicContact CG-CD1 3.96Å; E267-L271 HydrophobicContact CG-CG 4.41Å; E267-L271 WeakPolarHBondContact O-CB 3.49Å; E267-L271 WeakPolarHBondContact O-CG 3.26Å; E267-L271 PolarHBondContact O-N 3.31Å; I268-L271 PolarHBondContact O-N 3.03Å; L271-S273 PolarHBondContact O-N 3.36Å; L271-S274 PolarHBondContact O-N 2.9Å; L271-Y275 WeakPolarHBondContact O-CB 3.49Å; L271-Y275 PolarHBondContact O-N 3.23Å |
| 272 | E | 66.2 | Low | 65.1 | Low | 101 Ų | 101 | 80.8 Ų | 80.8 | 47% | 0.472 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.4 | -41.9 | 170.8 | -174.5 | -174.7 | -137.4 | 0 | 0 | 110.4 | R195 I268 N276 | R195-E272 IonicContact NH1-OE2 3.46Å; R195-E272 PolarHBondContact NH1-OE2 2.93Å; I268-E272 PolarHBondContact O-N 3.16Å; E272-N276 PolarHBondContact O-N 2.93Å; E272-N276 PolarHBondContact O-ND2 2.94Å |
| 273 | S | 58.9 | Low | 63.8 | Low | 72 Ų | 72 | 85.7 Ų | 85.7 | 50% | 0.503 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 178 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | I269 S270 L271 N276 | I269-S273 WeakPolarHBondContact O-CB 3.27Å; I269-S273 PolarHBondContact O-N 3.46Å; I269-S273 PolarHBondContact O-OG 2.87Å; S270-S273 WeakPolarHBondContact O-CB 3.42Å; S270-S273 PolarHBondContact O-N 3.44Å; L271-S273 PolarHBondContact O-N 3.36Å; S273-N276 PolarHBondContact O-N 3.46Å |
| 274 | S | 58.7 | Low | 62.2 | Low | 60 Ų | 60 | 87.4 Ų | 87.4 | 42% | 0.42 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 177.8 | -166.2 | 0 | 0 | 0 | 0 | 112.1 | S270 L271 N276 D277 E278 | S270-S274 WeakPolarHBondContact O-CB 3.31Å; S270-S274 PolarHBondContact O-N 3.45Å; L271-S274 PolarHBondContact O-N 2.9Å; S274-N276 PolarHBondContact O-N 3.33Å; S274-N276 VanDerWaalsContact O-N 3.15Å; S274-D277 PolarHBondContact O-N 3.36Å; S274-E278 PolarHBondContact O-N 2.73Å |
| 275 | Y | 57.1 | Low | 60.9 | Low | 159 Ų | 159 | 88.7 Ų | 88.7 | 62% | 0.624 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.3 | -30.6 | 178.4 | -170.1 | -98 | 0 | 0 | 0 | 112.6 | L271 M279 | L271-Y275 WeakPolarHBondContact O-CB 3.49Å; L271-Y275 PolarHBondContact O-N 3.23Å; Y275-M279 WeakPolarHBondContact O-CB 3.4Å; Y275-M279 PolarHBondContact O-N 3.27Å; Y275-M279 VanDerWaalsContact O-N 3.08Å |
| 276 | N | 56.2 | Low | 58.9 | Low | 82 Ų | 82 | 91.7 Ų | 91.7 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -74.2 | -20.2 | 175.4 | -87.3 | -89.5 | 0 | 0 | 0 | 114.8 | E272 S273 S274 | E272-N276 PolarHBondContact O-N 2.93Å; E272-N276 PolarHBondContact O-ND2 2.94Å; S273-N276 PolarHBondContact O-N 3.46Å; S274-N276 PolarHBondContact O-N 3.33Å; S274-N276 VanDerWaalsContact O-N 3.15Å |
| 277 | D | 49.9 | Very low | 57.6 | Low | 74 Ų | 74 | 94.8 Ų | 94.8 | 40% | 0.396 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -95.2 | -34 | 169.7 | -102.4 | -11.6 | 0 | 0 | 0 | 111.1 | S274 L280 K339 | S274-D277 PolarHBondContact O-N 3.36Å; D277-L280 WeakPolarHBondContact O-CB 3.34Å; D277-L280 PolarHBondContact O-N 3.02Å; D277-K339 IonicContact OD1-NZ 3.4Å; D277-K339 PolarHBondContact OD1-NZ 2.85Å; D277-K339 IonicContact OD2-NZ 2.74Å; D277-K339 PolarHBondContact OD2-NZ 3.42Å |
| 278 | E | 49.5 | Very low | 55.9 | Low | 92 Ų | 92 | 96 Ų | 96 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.8 | -39.9 | 176.7 | -92.4 | -159.5 | -127.8 | 0 | 0 | 113.7 | S274 L280 S281 Y282 | S274-E278 PolarHBondContact O-N 2.73Å; E278-L280 PolarHBondContact O-N 2.74Å; E278-S281 WeakPolarHBondContact O-CA 3.45Å; E278-S281 WeakPolarHBondContact O-CB 3.45Å; E278-S281 PolarHBondContact O-N 3.07Å; E278-Y282 HydrophobicContact CB-CE2 4.15Å; E278-Y282 WeakPolarHBondContact O-CD2 3.43Å; E278-Y282 WeakPolarHBondContact OE2-CE2 3.47Å; E278-Y282 PolarHBondContact OE2-OH 3.24Å |
| 279 | M | 48.7 | Very low | 54.3 | Low | 109 Ų | 109 | 96.2 Ų | 96.2 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.6 | -18.4 | 175.6 | -172 | 178.5 | 60.7 | 0 | 0 | 112.8 | Y275 | Y275-M279 WeakPolarHBondContact O-CB 3.4Å; Y275-M279 PolarHBondContact O-N 3.27Å; Y275-M279 VanDerWaalsContact O-N 3.08Å |
| 280 | L | 51.2 | Low | 52.3 | Low | 70 Ų | 70 | 103.3 Ų | 103.3 | 37% | 0.366 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83 | -15.9 | 172.4 | -94.6 | 153.8 | 0 | 0 | 0 | 113.6 | D277 E278 L342 | D277-L280 WeakPolarHBondContact O-CB 3.34Å; D277-L280 PolarHBondContact O-N 3.02Å; E278-L280 PolarHBondContact O-N 2.74Å; L280-L342 HydrophobicContact CD2-CD2 3.79Å |
| 281 | S | 48.5 | Very low | 50.7 | Low | 75 Ų | 75 | 108.4 Ų | 108.4 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.9 | -40.4 | 175.9 | -169.3 | 0 | 0 | 0 | 0 | 112.5 | E278 L283 | E278-S281 WeakPolarHBondContact O-CA 3.45Å; E278-S281 WeakPolarHBondContact O-CB 3.45Å; E278-S281 PolarHBondContact O-N 3.07Å; S281-L283 VanDerWaalsContact C-N 3.29Å; S281-L283 PolarHBondContact O-N 2.88Å |
| 282 | Y | 51 | Low | 49.2 | Very low | 172 Ų | 172 | 111 Ų | 111 | 68% | 0.675 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -80.7 | 10.9 | -169.5 | -61.3 | -71.1 | 0 | 0 | 0 | 116 | E278 | E278-Y282 HydrophobicContact CB-CE2 4.15Å; E278-Y282 WeakPolarHBondContact O-CD2 3.43Å; E278-Y282 WeakPolarHBondContact OE2-CE2 3.47Å; E278-Y282 PolarHBondContact OE2-OH 3.24Å |
| 283 | L | 45.9 | Very low | 48.1 | Very low | 125 Ų | 125 | 112.1 Ų | 112.1 | 65% | 0.654 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -97.6 | 143.8 | 169.1 | -91.4 | 75.3 | 0 | 0 | 0 | 111 | S281 G285 | S281-L283 VanDerWaalsContact C-N 3.29Å; S281-L283 PolarHBondContact O-N 2.88Å; L283-G285 PolarHBondContact O-N 3.22Å |
| 284 | P | 42 | Very low | 46.8 | Very low | 142 Ų | 142 | 113.9 Ų | 113.9 | 92% | 0.922 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 106.4 | -169.1 | -22.7 | 34.5 | 0 | 0 | 0 | 113 | ||
| 285 | G | 51 | Low | 46.3 | Very low | 68 Ų | 68 | 117.4 Ų | 117.4 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 160.9 | -13.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L283 T287 | L283-G285 PolarHBondContact O-N 3.22Å; G285-T287 PolarHBondContact O-N 3.48Å |
| 286 | G | 37.4 | Very low | 45.2 | Very low | 62 Ų | 62 | 117.3 Ų | 117.3 | 64% | 0.639 | 69% | 0.694 | S | S | * | * | trans | -58.9 | 131.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T288 | G286-T288 PolarHBondContact O-N 3.16Š| ||
| 287 | T | 51.1 | Low | 44.5 | Very low | 135 Ų | 135 | 119 Ų | 119 | 83% | 0.828 | 71% | 0.71 | S | S | * | * | trans | -94.2 | 91.5 | -165.5 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | G285 | G285-T287 PolarHBondContact O-N 3.48Š| ||
| 288 | T | 45 | Very low | 44 | Very low | 145 Ų | 145 | 122 Ų | 122 | 89% | 0.89 | 73% | 0.73 | S | S | * | * | trans | -165 | 130.7 | 144.7 | 16.4 | 0 | 0 | 0 | 0 | 111.7 | G286 | G286-T288 PolarHBondContact O-N 3.16Š| ||
| 289 | G | 44.4 | Very low | 43.7 | Very low | 75 Ų | 75 | 123.1 Ų | 123.1 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 77.3 | 83.7 | 159 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 290 | L | 36.6 | Very low | 43 | Very low | 176 Ų | 176 | 120.8 Ų | 120.8 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | -169.5 | 143.1 | 111.1 | -99 | 175.5 | 0 | 0 | 0 | 110.7 | |||||
| 291 | Q | 44.7 | Very low | 42.5 | Very low | 181 Ų | 181 | 125.7 Ų | 125.7 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -95.9 | 118.4 | -178.1 | -179.4 | -177.7 | 37.9 | 0 | 0 | 109.9 | ||||
| 292 | L | 39.2 | Very low | 42.4 | Very low | 157 Ų | 157 | 129.1 Ų | 129.1 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -136.9 | 127.5 | 170.3 | -72 | 176.7 | 0 | 0 | 0 | 110.6 | ||||
| 293 | P | 43.5 | Very low | 42.3 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | trans | -79.3 | 131.1 | 172.1 | 32.1 | -31.8 | 0 | 0 | 0 | 110.1 | ||||
| 294 | S | 31.1 | Very low | 42 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -129.1 | 109.2 | 172.9 | -170.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 295 | T | 47.6 | Very low | 42.3 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -90.2 | 124.1 | 175.1 | 50.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 296 | L | 35.1 | Very low | 41.8 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -129.6 | 142.3 | 168 | -73.2 | 177.4 | 0 | 0 | 0 | 110.9 | ||||
| 297 | P | 41.1 | Very low | 41.6 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -89.6 | 150.2 | -168 | 34.6 | -36.1 | 0 | 0 | 0 | 114.6 | ||||
| 298 | V | 40.3 | Very low | 40.9 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -10.8 | 116.5 | 153.9 | -174.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 299 | S | 43.2 | Very low | 40.4 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -86.5 | 110.2 | 153.4 | 57.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 300 | G | 33.8 | Very low | 40.1 | Very low | 59 Ų | 59 | 138.4 Ų | 138.4 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | trans | -85.9 | 134.6 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 301 | N | 39.7 | Very low | 40.3 | Very low | 173 Ų | 173 | 136.7 Ų | 136.7 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | -85.5 | 106.2 | 160.9 | -75.8 | 7.2 | 0 | 0 | 0 | 108.3 | ||||
| 302 | L | 47.8 | Very low | 39.9 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -124.4 | 69.5 | -177.1 | -139.1 | 178.6 | 0 | 0 | 0 | 110.8 | V305 | L302-V305 HydrophobicContact CD2-CG2 3.97Š| ||
| 303 | L | 48.1 | Very low | 40 | Very low | 176 Ų | 176 | 131.3 Ų | 131.3 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | -150.6 | 52.2 | 174.6 | -161.8 | 75.1 | 0 | 0 | 0 | 113 | ||||
| 304 | D | 40.2 | Very low | 40 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -156.5 | 100.1 | 146.2 | -155.5 | -13.5 | 0 | 0 | 0 | 111 | ||||
| 305 | V | 48.1 | Very low | 40.5 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | trans | -141.9 | 34.1 | 178.3 | -160.8 | 0 | 0 | 0 | 0 | 110.3 | L302 | L302-V305 HydrophobicContact CD2-CG2 3.97Š| ||
| 306 | Y | 40.3 | Very low | 40.2 | Very low | 217 Ų | 217 | 132.2 Ų | 132.2 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -149.9 | 60 | 174.5 | -120.5 | -76.2 | 0 | 0 | 0 | 113.6 | ||||
| 307 | S | 33.7 | Very low | 40.6 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -148.9 | 79.6 | 165.9 | -83.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 308 | S | 35 | Very low | 40.7 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -109.3 | 83.4 | -179.9 | 59.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 309 | Q | 35.3 | Very low | 40.4 | Very low | 184 Ų | 184 | 129.3 Ų | 129.3 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -159.3 | 72.2 | 161.4 | -156.3 | 67.2 | 29.8 | 0 | 0 | 115.3 | ||||
| 310 | G | 38.3 | Very low | 41.1 | Very low | 75 Ų | 75 | 131.3 Ų | 131.3 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 76.2 | -177.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 311 | V | 39.5 | Very low | 41.7 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | 65.7 | 108.2 | 171 | -139.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 312 | A | 37.4 | Very low | 41.8 | Very low | 90 Ų | 90 | 131 Ų | 131 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | trans | 56.4 | 131.4 | 146 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 313 | T | 40.3 | Very low | 42 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | trans | -61.2 | 153.3 | 162.3 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 314 | P | 43.8 | Very low | 42.1 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | -125.7 | 162.8 | 114.7 | 36.3 | -32.1 | 0 | 0 | 0 | 113.1 | |||||
| 315 | A | 41.6 | Very low | 42.5 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 137.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 316 | I | 41.9 | Very low | 42.5 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 120.9 | 165.2 | -61.7 | 179.9 | 0 | 0 | 0 | 108.3 | V318 | I316-V318 PolarHBondContact O-N 3.17Š|
| 317 | T | 42.5 | Very low | 43 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 125 | 176.6 | 49.6 | 0 | 0 | 0 | 0 | 111.1 | S319 | T317-S319 PolarHBondContact O-N 2.99Š|
| 318 | V | 43.5 | Very low | 43.6 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -74.2 | 112.7 | 171 | -179 | 0 | 0 | 0 | 0 | 109.2 | I316 N320 | I316-V318 PolarHBondContact O-N 3.17Å; V318-N320 PolarHBondContact O-N 3.45Å; V318-N320 VanDerWaalsContact O-N 3.07Å | ||
| 319 | S | 35.4 | Very low | 44.3 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -74.1 | 95.1 | -179.1 | -63.5 | 0 | 0 | 0 | 0 | 112.4 | T317 S321 | T317-S319 PolarHBondContact O-N 2.99Å; S319-S321 PolarHBondContact O-N 3.4Å | ||
| 320 | N | 57.6 | Low | 44.8 | Very low | 158 Ų | 158 | 126.4 Ų | 126.4 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -72.9 | 101.3 | 167.4 | -84.8 | -9.6 | 0 | 0 | 0 | 110.9 | V318 | V318-N320 PolarHBondContact O-N 3.45Å; V318-N320 VanDerWaalsContact O-N 3.07Å | ||
| 321 | S | 45.9 | Very low | 45.4 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -154.2 | 52.6 | 171.5 | 66.6 | 0 | 0 | 0 | 0 | 115 | S319 | S319-S321 PolarHBondContact O-N 3.4Š| ||
| 322 | C | 41.3 | Very low | 45.9 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | -127.6 | 100.9 | 158.8 | -69.4 | 0 | 0 | 0 | 0 | 109.1 | A324 | C322-A324 PolarHBondContact O-N 3.44Š| ||
| 323 | P | 51.2 | Low | 46.7 | Very low | 129 Ų | 129 | 133 Ų | 133 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | trans | -73.2 | 114.2 | 179.9 | 28.9 | -32.7 | 0 | 0 | 0 | 110.3 | E325 | P323-E325 PolarHBondContact O-N 2.87Š| ||
| 324 | A | 51.9 | Low | 48.1 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | trans | -91.4 | 74.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | C322 | C322-A324 PolarHBondContact O-N 3.44Š| ||
| 325 | E | 47.6 | Very low | 49.4 | Very low | 173 Ų | 173 | 129.7 Ų | 129.7 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | trans | -165.2 | 110.8 | 155.1 | -118 | 172.6 | 176.4 | 0 | 0 | 113 | P323 | P323-E325 PolarHBondContact O-N 2.87Š| ||
| 326 | L | 48.8 | Very low | 51 | Low | 135 Ų | 135 | 130.2 Ų | 130.2 | 71% | 0.707 | 72% | 0.723 | S | S | * | * | trans | -142.5 | 86.7 | 160.1 | -81.4 | -178.5 | 0 | 0 | 0 | 108.9 | N328 I329 | L326-N328 PolarHBondContact O-N 2.93Å; L326-I329 HydrophobicContact CB-CD1 4.11Å; L326-I329 HydrophobicContact CB-CG1 4.16Å; L326-I329 HydrophobicContact CD1-CD1 3.81Å | ||
| 327 | P | 51.5 | Low | 52.9 | Low | 119 Ų | 119 | 127.1 Ų | 127.1 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 53.7 | -175.6 | 33.5 | -37.1 | 0 | 0 | 0 | 112.4 | ||
| 328 | N | 46.1 | Very low | 54.9 | Low | 159 Ų | 159 | 123.8 Ų | 123.8 | 85% | 0.85 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.7 | 9.4 | 170.8 | -115.2 | -14.9 | 0 | 0 | 0 | 115.1 | L326 K330 | L326-N328 PolarHBondContact O-N 2.93Å; N328-K330 PolarHBondContact O-N 2.98Å; N328-K330 VanDerWaalsContact O-N 3.14Å |
| 329 | I | 49 | Very low | 57 | Low | 117 Ų | 117 | 120.8 Ų | 120.8 | 60% | 0.6 | 67% | 0.665 | S | S | * | * | trans | -89.3 | 56.8 | 173.8 | -41.4 | -176 | 0 | 0 | 0 | 111.1 | L326 | L326-I329 HydrophobicContact CB-CD1 4.11Å; L326-I329 HydrophobicContact CB-CG1 4.16Å; L326-I329 HydrophobicContact CD1-CD1 3.81Å | ||
| 330 | K | 44.8 | Very low | 59.5 | Low | 161 Ų | 161 | 118.5 Ų | 118.5 | 70% | 0.7 | 65% | 0.653 | S | S | * | * | trans | -97.3 | 49.5 | 149.4 | -141.4 | -153.2 | -167.6 | -160.8 | 0 | 110.1 | N328 E332 | N328-K330 PolarHBondContact O-N 2.98Å; N328-K330 VanDerWaalsContact O-N 3.14Å; K330-E332 HydrophobicContact CD-CG 3.96Å; K330-E332 WeakPolarHBondContact CE-OE1 3.34Å; K330-E332 HydrophobicContact CG-CG 4Å; K330-E332 IonicContact NZ-OE1 3.23Å; K330-E332 PolarHBondContact NZ-OE1 3.3Å; K330-E332 PolarHBondContact O-N 3.35Å | ||
| 331 | R | 52.8 | Low | 61 | Low | 214 Ų | 214 | 115.1 Ų | 115.1 | 81% | 0.808 | 63% | 0.634 | S | S | * | * | trans | -66.8 | 81.8 | 147.8 | -87.1 | -165.2 | -74.7 | 157.8 | -5.4 | 106.5 | I333 | R331-I333 PolarHBondContact O-N 2.98Å; R331-I333 VanDerWaalsContact O-N 3.09Å | ||
| 332 | E | 49.5 | Very low | 63.1 | Low | 132 Ų | 132 | 114.2 Ų | 114.2 | 62% | 0.617 | 62% | 0.621 | S | S | * | * | trans | -53 | 115 | 151.4 | -64.6 | -175.2 | 145.5 | 0 | 0 | 105.4 | K330 S334 | K330-E332 HydrophobicContact CD-CG 3.96Å; K330-E332 WeakPolarHBondContact CE-OE1 3.34Å; K330-E332 HydrophobicContact CG-CG 4Å; K330-E332 IonicContact NZ-OE1 3.23Å; K330-E332 PolarHBondContact NZ-OE1 3.3Å; K330-E332 PolarHBondContact O-N 3.35Å; E332-S334 VanDerWaalsContact C-N 3.34Å; E332-S334 PolarHBondContact O-N 3.36Å | ||
| 333 | I | 53.8 | Low | 65.6 | Low | 100 Ų | 100 | 113 Ų | 113 | 51% | 0.513 | 60% | 0.602 | S | S | . | * | trans | -53.9 | 109.1 | 164.7 | -61.8 | 169.5 | 0 | 0 | 0 | 103.6 | R331 E335 E337 A338 L341 | R331-I333 PolarHBondContact O-N 2.98Å; R331-I333 VanDerWaalsContact O-N 3.09Å; I333-E335 PolarHBondContact O-N 3.38Å; I333-E337 HydrophobicContact CG2-CB 3.83Å; I333-E337 HydrophobicContact CG2-CG 3.76Å; I333-A338 HydrophobicContact CG2-CB 4.08Å; I333-L341 HydrophobicContact CG2-CD1 4.12Å | ||
| 334 | S | 68.8 | Low | 67.6 | Low | 56 Ų | 56 | 113.2 Ų | 113.2 | 39% | 0.392 | 59% | 0.591 | S | S | . | * | trans | -53.7 | 146.8 | -169.4 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | E332 T336 E337 A338 | E332-S334 VanDerWaalsContact C-N 3.34Å; E332-S334 PolarHBondContact O-N 3.36Å; S334-T336 WeakPolarHBondContact CB-OG1 3.06Å; S334-T336 CarbonylContact O-C 3.58Å; S334-T336 PolarHBondContact O-N 3.13Å; S334-T336 PolarHBondContact OG-OG1 3.11Å; S334-E337 PolarHBondContact N-OE2 2.87Å; S334-E337 CarbonylContact O-C 3.52Å; S334-E337 WeakPolarHBondContact O-CA 3.17Å; S334-E337 WeakPolarHBondContact O-CB 3.32Å; S334-E337 PolarHBondContact O-N 3.33Å; S334-A338 PolarHBondContact O-N 3.22Å | ||
| 335 | E | 71.4 | Confident | 69.7 | Low | 132 Ų | 132 | 116.1 Ų | 116.1 | 62% | 0.617 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -52.3 | -32.5 | 177.8 | -162.1 | -161.1 | 136.2 | 0 | 0 | 111.3 | I333 K339 | I333-E335 PolarHBondContact O-N 3.38Å; E335-K339 HydrophobicContact CG-CD 4.48Å; E335-K339 VanDerWaalsContact O-CB 3.26Å; E335-K339 WeakPolarHBondContact O-CB 2.92Å; E335-K339 WeakPolarHBondContact O-CG 3.46Å; E335-K339 PolarHBondContact O-N 2.84Å; E335-K339 WeakPolarHBondContact OE1-CE 3.4Å; E335-K339 IonicContact OE1-NZ 3.47Å; E335-K339 PolarHBondContact OE1-NZ 3.43Å |
| 336 | T | 76.1 | Confident | 72 | Confident | 107 Ų | 107 | 113.4 Ų | 113.4 | 66% | 0.656 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.7 | -40.8 | 171.6 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | S334 A340 | S334-T336 WeakPolarHBondContact CB-OG1 3.06Å; S334-T336 CarbonylContact O-C 3.58Å; S334-T336 PolarHBondContact O-N 3.13Å; S334-T336 PolarHBondContact OG-OG1 3.11Å; T336-A340 VanDerWaalsContact O-CB 3.3Å; T336-A340 WeakPolarHBondContact O-CB 3.24Å; T336-A340 PolarHBondContact O-N 3.36Å |
| 337 | E | 81.8 | Confident | 74.3 | Confident | 100 Ų | 100 | 114.8 Ų | 114.8 | 47% | 0.467 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -74.7 | -38.7 | 177 | -170.9 | -178.7 | -166.8 | 0 | 0 | 111.2 | I333 S334 A340 L341 | I333-E337 HydrophobicContact CG2-CB 3.83Å; I333-E337 HydrophobicContact CG2-CG 3.76Å; S334-E337 PolarHBondContact N-OE2 2.87Å; S334-E337 CarbonylContact O-C 3.52Å; S334-E337 WeakPolarHBondContact O-CA 3.17Å; S334-E337 WeakPolarHBondContact O-CB 3.32Å; S334-E337 PolarHBondContact O-N 3.33Å; E337-A340 WeakPolarHBondContact O-CB 3.46Å; E337-A340 PolarHBondContact O-N 3.32Å; E337-L341 HydrophobicContact CG-CD1 4.47Å; E337-L341 WeakPolarHBondContact O-CG 3.4Å; E337-L341 PolarHBondContact O-N 2.92Å |
| 338 | A | 83.1 | Confident | 76.5 | Confident | 47 Ų | 47 | 115.7 Ų | 115.7 | 39% | 0.388 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.1 | -46.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I333 S334 A340 L341 L342 | I333-A338 HydrophobicContact CG2-CB 4.08Å; S334-A338 PolarHBondContact O-N 3.22Å; A338-A340 PolarHBondContact O-N 3.13Å; A338-L341 PolarHBondContact O-N 3.45Å; A338-L342 WeakPolarHBondContact O-CB 3.26Å; A338-L342 PolarHBondContact O-N 3.25Å |
| 339 | K | 88.2 | Confident | 78.9 | Confident | 69 Ų | 69 | 111.5 Ų | 111.5 | 30% | 0.3 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.9 | -31.2 | 171.4 | -75.9 | 179.9 | 170.8 | 174.3 | 0 | 111.8 | D277 E335 K343 | D277-K339 IonicContact OD1-NZ 3.4Å; D277-K339 PolarHBondContact OD1-NZ 2.85Å; D277-K339 IonicContact OD2-NZ 2.74Å; D277-K339 PolarHBondContact OD2-NZ 3.42Å; E335-K339 HydrophobicContact CG-CD 4.48Å; E335-K339 VanDerWaalsContact O-CB 3.26Å; E335-K339 WeakPolarHBondContact O-CB 2.92Å; E335-K339 WeakPolarHBondContact O-CG 3.46Å; E335-K339 PolarHBondContact O-N 2.84Å; E335-K339 WeakPolarHBondContact OE1-CE 3.4Å; E335-K339 IonicContact OE1-NZ 3.47Å; E335-K339 PolarHBondContact OE1-NZ 3.43Å; K339-K343 WeakPolarHBondContact O-CB 3.4Å; K339-K343 VanDerWaalsContact O-CG 3.3Å; K339-K343 WeakPolarHBondContact O-CG 3.36Å; K339-K343 PolarHBondContact O-N 2.9Å |
| 340 | A | 87.6 | Confident | 81.2 | Confident | 55 Ų | 55 | 110.2 Ų | 110.2 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.1 | -48 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T336 E337 A338 L342 K343 E344 | T336-A340 VanDerWaalsContact O-CB 3.3Å; T336-A340 WeakPolarHBondContact O-CB 3.24Å; T336-A340 PolarHBondContact O-N 3.36Å; E337-A340 WeakPolarHBondContact O-CB 3.46Å; E337-A340 PolarHBondContact O-N 3.32Å; A338-A340 PolarHBondContact O-N 3.13Å; A340-L342 VanDerWaalsContact C-N 3.3Å; A340-L342 PolarHBondContact O-N 2.95Å; A340-K343 CarbonylContact O-C 3.59Å; A340-K343 PolarHBondContact O-N 3.27Å; A340-K343 VanDerWaalsContact O-N 3.14Å; A340-E344 PolarHBondContact O-N 2.86Å |
| 341 | L | 90.3 | Very high | 83.8 | Confident | 86 Ų | 86 | 108.3 Ų | 108.3 | 45% | 0.45 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 176.8 | -71.9 | 168.4 | 0 | 0 | 0 | 112 | I333 E337 A338 E344 R345 | I333-L341 HydrophobicContact CG2-CD1 4.12Å; E337-L341 HydrophobicContact CG-CD1 4.47Å; E337-L341 WeakPolarHBondContact O-CG 3.4Å; E337-L341 PolarHBondContact O-N 2.92Å; A338-L341 PolarHBondContact O-N 3.45Å; L341-E344 PolarHBondContact O-N 3.11Å; L341-R345 PolarHBondContact O-N 3.1Å |
| 342 | L | 90 | Very high | 86 | Confident | 84 Ų | 84 | 101.4 Ų | 101.4 | 44% | 0.44 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 173.6 | -174.9 | 59.5 | 0 | 0 | 0 | 111.8 | L280 A338 A340 R345 Q346 | L280-L342 HydrophobicContact CD2-CD2 3.79Å; A338-L342 WeakPolarHBondContact O-CB 3.26Å; A338-L342 PolarHBondContact O-N 3.25Å; A340-L342 VanDerWaalsContact C-N 3.3Å; A340-L342 PolarHBondContact O-N 2.95Å; L342-R345 PolarHBondContact O-N 3.33Å; L342-Q346 WeakPolarHBondContact O-CB 3.49Å; L342-Q346 PolarHBondContact O-N 2.87Å |
| 343 | K | 93.6 | Very high | 88.3 | Confident | 99 Ų | 99 | 100.1 Ų | 100.1 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.7 | -33.2 | 175.7 | -73 | 175.1 | -178.1 | -179 | 0 | 112.3 | K339 A340 K347 | K339-K343 WeakPolarHBondContact O-CB 3.4Å; K339-K343 VanDerWaalsContact O-CG 3.3Å; K339-K343 WeakPolarHBondContact O-CG 3.36Å; K339-K343 PolarHBondContact O-N 2.9Å; A340-K343 CarbonylContact O-C 3.59Å; A340-K343 PolarHBondContact O-N 3.27Å; A340-K343 VanDerWaalsContact O-N 3.14Å; K343-K347 WeakPolarHBondContact O-CB 3.49Å; K343-K347 PolarHBondContact O-N 2.93Å |
| 344 | E | 93.8 | Very high | 90.4 | Very high | 133 Ų | 133 | 100.2 Ų | 100.2 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.9 | -47.2 | 169.8 | -178 | 175.3 | -150.8 | 0 | 0 | 111.4 | A340 L341 Q346 K347 K348 | A340-E344 PolarHBondContact O-N 2.86Å; L341-E344 PolarHBondContact O-N 3.11Å; E344-Q346 PolarHBondContact O-N 3.43Å; E344-K347 WeakPolarHBondContact O-CB 3.31Å; E344-K347 PolarHBondContact O-N 3.28Å; E344-K348 WeakPolarHBondContact O-CB 3.44Å; E344-K348 PolarHBondContact O-N 2.86Å |
| 345 | R | 96.2 | Very high | 91.8 | Very high | 161 Ų | 161 | 99.5 Ų | 99.5 | 61% | 0.608 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.2 | -48.5 | 174.5 | -179.3 | -174.9 | 167.1 | -169.2 | -1.3 | 111.2 | L341 L342 K347 K348 D349 | L341-R345 PolarHBondContact O-N 3.1Å; L342-R345 PolarHBondContact O-N 3.33Å; R345-K347 VanDerWaalsContact C-N 3.29Å; R345-K347 PolarHBondContact O-N 3.42Å; R345-K348 WeakPolarHBondContact O-CB 3.47Å; R345-K348 PolarHBondContact O-N 3.02Å; R345-K348 VanDerWaalsContact O-N 3.11Å; R345-D349 WeakPolarHBondContact CG-OD2 3.44Å; R345-D349 IonicContact NE-OD2 3.69Å; R345-D349 PolarHBondContact NE-OD2 3.17Å; R345-D349 IonicContact NH2-OD2 2.67Å; R345-D349 PolarHBondContact O-N 3.06Å |
| 346 | Q | 95.8 | Very high | 93.1 | Very high | 115 Ų | 115 | 101.3 Ų | 101.3 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59 | -41 | 178.7 | -168.1 | -175 | 29.9 | 0 | 0 | 111.7 | L342 E344 D349 N350 | L342-Q346 WeakPolarHBondContact O-CB 3.49Å; L342-Q346 PolarHBondContact O-N 2.87Å; E344-Q346 PolarHBondContact O-N 3.43Å; Q346-D349 PolarHBondContact O-N 3.26Å; Q346-N350 VanDerWaalsContact O-CB 3.24Å; Q346-N350 WeakPolarHBondContact O-CB 3.47Å; Q346-N350 PolarHBondContact O-N 3.03Å |
| 347 | K | 96.6 | Very high | 94.2 | Very high | 164 Ų | 164 | 105.9 Ų | 105.9 | 71% | 0.713 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 174.2 | -176.6 | -179.7 | 179.1 | -177.8 | 0 | 112.3 | K343 E344 R345 H351 | K343-K347 WeakPolarHBondContact O-CB 3.49Å; K343-K347 PolarHBondContact O-N 2.93Å; E344-K347 WeakPolarHBondContact O-CB 3.31Å; E344-K347 PolarHBondContact O-N 3.28Å; R345-K347 VanDerWaalsContact C-N 3.29Å; R345-K347 PolarHBondContact O-N 3.42Å; K347-H351 WeakPolarHBondContact O-CB 3.4Å; K347-H351 PolarHBondContact O-N 3Å |
| 348 | K | 96.8 | Very high | 95 | Very high | 138 Ų | 138 | 107.8 Ų | 107.8 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -44.8 | 174.9 | -178 | 179.6 | 178.9 | 179.2 | 0 | 111.6 | E344 R345 H351 N352 | E344-K348 WeakPolarHBondContact O-CB 3.44Å; E344-K348 PolarHBondContact O-N 2.86Å; R345-K348 WeakPolarHBondContact O-CB 3.47Å; R345-K348 PolarHBondContact O-N 3.02Å; R345-K348 VanDerWaalsContact O-N 3.11Å; K348-H351 PolarHBondContact O-N 2.88Å; K348-N352 WeakPolarHBondContact O-CB 3.49Å; K348-N352 PolarHBondContact O-N 2.73Å; K348-N352 PolarHBondContact O-ND2 2.89Å; K348-N352 VanDerWaalsContact O-ND2 3.16Å |
| 349 | D | 97.2 | Very high | 95.7 | Very high | 71 Ų | 71 | 112.7 Ų | 112.7 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.3 | -34.2 | -179.6 | -71 | -25.1 | 0 | 0 | 0 | 112 | R345 Q346 N352 L353 | R345-D349 WeakPolarHBondContact CG-OD2 3.44Å; R345-D349 IonicContact NE-OD2 3.69Å; R345-D349 PolarHBondContact NE-OD2 3.17Å; R345-D349 IonicContact NH2-OD2 2.67Å; R345-D349 PolarHBondContact O-N 3.06Å; Q346-D349 PolarHBondContact O-N 3.26Å; D349-N352 PolarHBondContact O-N 2.96Å; D349-N352 PolarHBondContact OD1-ND2 3.26Å; D349-L353 PolarHBondContact O-N 2.96Å |
| 350 | N | 98 | Very high | 96.2 | Very high | 91 Ų | 91 | 115.3 Ų | 115.3 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 168.6 | -177.3 | -87.1 | 0 | 0 | 0 | 112.1 | Q346 N352 L353 I354 | Q346-N350 VanDerWaalsContact O-CB 3.24Å; Q346-N350 WeakPolarHBondContact O-CB 3.47Å; Q346-N350 PolarHBondContact O-N 3.03Å; N350-N352 VanDerWaalsContact C-N 3.35Å; N350-N352 PolarHBondContact O-N 3.37Å; N350-L353 WeakPolarHBondContact O-CB 3.43Å; N350-L353 PolarHBondContact O-N 3.48Å; N350-I354 WeakPolarHBondContact O-CG1 3.49Å; N350-I354 PolarHBondContact O-N 3.39Å; N350-I354 VanDerWaalsContact OD1-CD1 3.29Å; N350-I354 WeakPolarHBondContact OD1-CD1 3.43Å |
| 351 | H | 98.1 | Very high | 96.7 | Very high | 120 Ų | 120 | 117 Ų | 117 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.6 | -43.9 | 174.1 | 176.7 | 74.2 | 0 | 0 | 0 | 112 | K347 K348 L353 I354 E355 | K347-H351 WeakPolarHBondContact O-CB 3.4Å; K347-H351 PolarHBondContact O-N 3Å; K348-H351 PolarHBondContact O-N 2.88Å; H351-L353 VanDerWaalsContact C-N 3.3Å; H351-L353 PolarHBondContact O-N 2.92Å; H351-I354 PolarHBondContact O-N 2.84Å; H351-E355 WeakPolarHBondContact O-CB 3.36Å; H351-E355 PolarHBondContact O-N 3.01Å |
| 352 | N | 98.4 | Very high | 97.1 | Very high | 69 Ų | 69 | 116.2 Ų | 116.2 | 37% | 0.369 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59 | -39.8 | 174.8 | -72.1 | -30.8 | 0 | 0 | 0 | 112.1 | K348 D349 N350 R356 | K348-N352 WeakPolarHBondContact O-CB 3.49Å; K348-N352 PolarHBondContact O-N 2.73Å; K348-N352 PolarHBondContact O-ND2 2.89Å; K348-N352 VanDerWaalsContact O-ND2 3.16Å; D349-N352 PolarHBondContact O-N 2.96Å; D349-N352 PolarHBondContact OD1-ND2 3.26Å; N350-N352 VanDerWaalsContact C-N 3.35Å; N350-N352 PolarHBondContact O-N 3.37Å; N352-R356 VanDerWaalsContact O-CB 3.24Å; N352-R356 WeakPolarHBondContact O-CB 3.29Å; N352-R356 PolarHBondContact O-N 3.27Å |
| 353 | L | 98.2 | Very high | 97.5 | Very high | 105 Ų | 105 | 114.7 Ų | 114.7 | 55% | 0.55 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.2 | -45.3 | 176.8 | 180 | 61.6 | 0 | 0 | 0 | 112 | D349 N350 H351 R356 R357 | D349-L353 PolarHBondContact O-N 2.96Å; N350-L353 WeakPolarHBondContact O-CB 3.43Å; N350-L353 PolarHBondContact O-N 3.48Å; H351-L353 VanDerWaalsContact C-N 3.3Å; H351-L353 PolarHBondContact O-N 2.92Å; L353-R356 PolarHBondContact O-N 3.44Å; L353-R357 PolarHBondContact O-N 3.42Å |
| 354 | I | 98.3 | Very high | 97.7 | Very high | 102 Ų | 102 | 112.3 Ų | 112.3 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 177.7 | -68.5 | 169.5 | 0 | 0 | 0 | 110.6 | N350 H351 R356 R357 R358 | N350-I354 WeakPolarHBondContact O-CG1 3.49Å; N350-I354 PolarHBondContact O-N 3.39Å; N350-I354 VanDerWaalsContact OD1-CD1 3.29Å; N350-I354 WeakPolarHBondContact OD1-CD1 3.43Å; H351-I354 PolarHBondContact O-N 2.84Å; I354-R356 VanDerWaalsContact C-N 3.34Å; I354-R356 PolarHBondContact O-N 3.47Å; I354-R357 PolarHBondContact O-N 3.19Å; I354-R358 WeakPolarHBondContact O-CB 3.42Å; I354-R358 PolarHBondContact O-N 3.43Å |
| 355 | E | 98.4 | Very high | 98 | Very high | 42 Ų | 42 | 112.4 Ų | 112.4 | 20% | 0.196 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -67.5 | -32.8 | 178.2 | 173.3 | 61.4 | 175.8 | 0 | 0 | 112 | H351 R358 R359 | H351-E355 WeakPolarHBondContact O-CB 3.36Å; H351-E355 PolarHBondContact O-N 3.01Å; E355-R358 PolarHBondContact O-N 2.92Å; E355-R358 IonicContact OE1-NH1 2.98Å; E355-R358 PolarHBondContact OE1-NH1 3.08Å; E355-R358 WeakPolarHBondContact OE2-CD 3.41Å; E355-R358 IonicContact OE2-CZ 3.58Å; E355-R358 IonicContact OE2-NE 2.79Å; E355-R358 IonicContact OE2-NH1 2.66Å; E355-R358 PolarHBondContact OE2-NH1 3.41Å; E355-R359 WeakPolarHBondContact O-CB 3.49Å; E355-R359 VanDerWaalsContact O-CG 3.26Å; E355-R359 WeakPolarHBondContact O-CG 3.48Å; E355-R359 PolarHBondContact O-N 3.22Å; E355-R359 IonicContact OE1-CZ 3.65Å; E355-R359 VanDerWaalsContact OE1-CZ 3.23Å; E355-R359 IonicContact OE1-NE 3.23Å; E355-R359 PolarHBondContact OE1-NE 3.39Å; E355-R359 IonicContact OE1-NH2 3.81Å; E355-R359 PolarHBondContact OE1-NH2 3.48Å |
| 356 | R | 98.6 | Very high | 98.1 | Very high | 170 Ų | 170 | 105.7 Ų | 105.7 | 64% | 0.642 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.4 | -45 | 170.8 | -173.9 | -179.4 | -68.4 | 133.1 | -2 | 111.6 | N352 L353 I354 R359 F360 | N352-R356 VanDerWaalsContact O-CB 3.24Å; N352-R356 WeakPolarHBondContact O-CB 3.29Å; N352-R356 PolarHBondContact O-N 3.27Å; L353-R356 PolarHBondContact O-N 3.44Å; I354-R356 VanDerWaalsContact C-N 3.34Å; I354-R356 PolarHBondContact O-N 3.47Å; R356-R359 PolarHBondContact O-N 3.28Å; R356-F360 WeakPolarHBondContact O-CB 3.43Å; R356-F360 PolarHBondContact O-N 3.17Å |
| 357 | R | 98.6 | Very high | 98.2 | Very high | 203 Ų | 203 | 106.4 Ų | 106.4 | 77% | 0.766 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 176.1 | -172.2 | 177.8 | -178.2 | -178.5 | 0.8 | 111.5 | L353 I354 F360 N361 | L353-R357 PolarHBondContact O-N 3.42Å; I354-R357 PolarHBondContact O-N 3.19Å; R357-F360 PolarHBondContact O-N 3.14Å; R357-N361 WeakPolarHBondContact O-CB 3.44Å; R357-N361 PolarHBondContact O-N 2.98Å |
| 358 | R | 98.6 | Very high | 98.2 | Very high | 139 Ų | 139 | 102.6 Ų | 102.6 | 53% | 0.525 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 174.3 | 177.1 | 175 | 165.3 | -84.6 | -7.5 | 112.1 | I354 E355 F360 N361 I362 | I354-R358 WeakPolarHBondContact O-CB 3.42Å; I354-R358 PolarHBondContact O-N 3.43Å; E355-R358 PolarHBondContact O-N 2.92Å; E355-R358 IonicContact OE1-NH1 2.98Å; E355-R358 PolarHBondContact OE1-NH1 3.08Å; E355-R358 WeakPolarHBondContact OE2-CD 3.41Å; E355-R358 IonicContact OE2-CZ 3.58Å; E355-R358 IonicContact OE2-NE 2.79Å; E355-R358 IonicContact OE2-NH1 2.66Å; E355-R358 PolarHBondContact OE2-NH1 3.41Å; R358-F360 VanDerWaalsContact C-N 3.34Å; R358-F360 PolarHBondContact O-N 3.19Å; R358-N361 PolarHBondContact O-N 3.38Å; R358-I362 HydrophobicContact CG-CD1 3.91Å; R358-I362 WeakPolarHBondContact O-CG1 3.24Å; R358-I362 PolarHBondContact O-N 2.81Å |
| 359 | R | 98.6 | Very high | 98.3 | Very high | 150 Ų | 150 | 98.8 Ų | 98.8 | 57% | 0.566 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.6 | -41.9 | 176.2 | -74.8 | 174.9 | -171 | -175.9 | 9.2 | 112.3 | E355 R356 N363 | E355-R359 WeakPolarHBondContact O-CB 3.49Å; E355-R359 VanDerWaalsContact O-CG 3.26Å; E355-R359 WeakPolarHBondContact O-CG 3.48Å; E355-R359 PolarHBondContact O-N 3.22Å; E355-R359 IonicContact OE1-CZ 3.65Å; E355-R359 VanDerWaalsContact OE1-CZ 3.23Å; E355-R359 IonicContact OE1-NE 3.23Å; E355-R359 PolarHBondContact OE1-NE 3.39Å; E355-R359 IonicContact OE1-NH2 3.81Å; E355-R359 PolarHBondContact OE1-NH2 3.48Å; R356-R359 PolarHBondContact O-N 3.28Å; R359-N363 WeakPolarHBondContact O-CB 3.37Å; R359-N363 PolarHBondContact O-N 2.93Å; R359-N363 PolarHBondContact O-ND2 3.41Å; R359-N363 VanDerWaalsContact O-ND2 3.11Å; R359-N363 PolarHBondContact O-OD1 2.99Å |
| 360 | F | 98.6 | Very high | 98.2 | Very high | 124 Ų | 124 | 96.3 Ų | 96.3 | 54% | 0.544 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.3 | -52.4 | 175.6 | 179.2 | -96.2 | 0 | 0 | 0 | 111.2 | R356 R357 R358 I362 N363 D364 | R356-F360 WeakPolarHBondContact O-CB 3.43Å; R356-F360 PolarHBondContact O-N 3.17Å; R357-F360 PolarHBondContact O-N 3.14Å; R358-F360 VanDerWaalsContact C-N 3.34Å; R358-F360 PolarHBondContact O-N 3.19Å; F360-I362 PolarHBondContact O-N 3.09Å; F360-N363 WeakPolarHBondContact O-CB 3.46Å; F360-N363 PolarHBondContact O-N 2.87Å; F360-N363 VanDerWaalsContact O-N 3.12Å; F360-D364 WeakPolarHBondContact CE1-OD2 3.49Å; F360-D364 WeakPolarHBondContact CZ-OD2 3.47Å; F360-D364 PolarHBondContact O-N 2.79Å |
| 361 | N | 98.4 | Very high | 98.2 | Very high | 90 Ų | 90 | 97.1 Ų | 97.1 | 48% | 0.481 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 178.9 | -177.9 | -104 | 0 | 0 | 0 | 113.1 | R357 R358 D364 R365 | R357-N361 WeakPolarHBondContact O-CB 3.44Å; R357-N361 PolarHBondContact O-N 2.98Å; R358-N361 PolarHBondContact O-N 3.38Å; N361-D364 PolarHBondContact O-N 2.85Å; N361-R365 WeakPolarHBondContact O-CG 3.36Å; N361-R365 PolarHBondContact O-N 3.37Å |
| 362 | I | 98.5 | Very high | 98.1 | Very high | 70 Ų | 70 | 96.9 Ų | 96.9 | 36% | 0.359 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 175.2 | -67.5 | 166.6 | 0 | 0 | 0 | 111.3 | R358 F360 D364 I366 | R358-I362 HydrophobicContact CG-CD1 3.91Å; R358-I362 WeakPolarHBondContact O-CG1 3.24Å; R358-I362 PolarHBondContact O-N 2.81Å; F360-I362 PolarHBondContact O-N 3.09Å; I362-D364 VanDerWaalsContact C-N 3.31Å; I362-D364 PolarHBondContact O-N 3.29Å; I362-I366 HydrophobicContact CG2-CD1 4.06Å; I362-I366 WeakPolarHBondContact O-CG1 3.44Å; I362-I366 PolarHBondContact O-N 2.96Å; I362-I366 VanDerWaalsContact O-N 3.15Å |
| 363 | N | 98.5 | Very high | 98 | Very high | 53 Ų | 53 | 94.2 Ų | 94.2 | 28% | 0.283 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 178.3 | -68.1 | -25.5 | 0 | 0 | 0 | 111.8 | R359 F360 I366 K367 K385 | R359-N363 WeakPolarHBondContact O-CB 3.37Å; R359-N363 PolarHBondContact O-N 2.93Å; R359-N363 PolarHBondContact O-ND2 3.41Å; R359-N363 VanDerWaalsContact O-ND2 3.11Å; R359-N363 PolarHBondContact O-OD1 2.99Å; F360-N363 WeakPolarHBondContact O-CB 3.46Å; F360-N363 PolarHBondContact O-N 2.87Å; F360-N363 VanDerWaalsContact O-N 3.12Å; N363-I366 PolarHBondContact O-N 2.84Å; N363-K367 WeakPolarHBondContact O-CG 3.36Å; N363-K367 PolarHBondContact O-N 3.2Å; N363-K385 WeakPolarHBondContact OD1-CE 3.11Å; N363-K385 PolarHBondContact OD1-NZ 2.79Å |
| 364 | D | 98.6 | Very high | 97.8 | Very high | 48 Ų | 48 | 92.9 Ų | 92.9 | 26% | 0.257 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -73.8 | -38.6 | -177.8 | -75.5 | 1.9 | 0 | 0 | 0 | 112.4 | F360 N361 I362 I366 K367 E368 | F360-D364 WeakPolarHBondContact CE1-OD2 3.49Å; F360-D364 WeakPolarHBondContact CZ-OD2 3.47Å; F360-D364 PolarHBondContact O-N 2.79Å; N361-D364 PolarHBondContact O-N 2.85Å; I362-D364 VanDerWaalsContact C-N 3.31Å; I362-D364 PolarHBondContact O-N 3.29Å; D364-I366 PolarHBondContact O-N 3.1Å; D364-K367 WeakPolarHBondContact O-CB 3.42Å; D364-K367 PolarHBondContact O-N 3.49Å; D364-K367 WeakPolarHBondContact OD1-CE 3.43Å; D364-K367 IonicContact OD1-NZ 2.66Å; D364-K367 PolarHBondContact OD1-NZ 3.34Å; D364-E368 WeakPolarHBondContact O-CB 3.3Å; D364-E368 PolarHBondContact O-N 2.95Å |
| 365 | R | 98.6 | Very high | 97.2 | Very high | 135 Ų | 135 | 95.9 Ų | 95.9 | 51% | 0.509 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.9 | -31.4 | 170 | -64.2 | -56.1 | -178.3 | -171.3 | -2.8 | 112.4 | N361 E368 L369 | N361-R365 WeakPolarHBondContact O-CG 3.36Å; N361-R365 PolarHBondContact O-N 3.37Å; R365-E368 WeakPolarHBondContact CD-OE2 3.44Å; R365-E368 IonicContact CZ-OE2 2.8Å; R365-E368 IonicContact NE-OE2 2.69Å; R365-E368 IonicContact NH1-OE1 2.61Å; R365-E368 PolarHBondContact NH1-OE1 3.38Å; R365-E368 IonicContact NH1-OE2 3.39Å; R365-E368 PolarHBondContact NH1-OE2 2.84Å; R365-L369 WeakPolarHBondContact O-CG 3.32Å; R365-L369 PolarHBondContact O-N 2.93Å; R365-L369 VanDerWaalsContact O-N 3.08Å |
| 366 | I | 98.4 | Very high | 96.1 | Very high | 21 Ų | 21 | 96.2 Ų | 96.2 | 11% | 0.108 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -70.5 | -39.8 | 171.1 | -65 | 166.5 | 0 | 0 | 0 | 111.3 | I362 N363 D364 G370 K385 I388 L389 | I362-I366 HydrophobicContact CG2-CD1 4.06Å; I362-I366 WeakPolarHBondContact O-CG1 3.44Å; I362-I366 PolarHBondContact O-N 2.96Å; I362-I366 VanDerWaalsContact O-N 3.15Å; N363-I366 PolarHBondContact O-N 2.84Å; D364-I366 PolarHBondContact O-N 3.1Å; I366-G370 PolarHBondContact O-N 3.45Å; I366-K385 HydrophobicContact CD1-CB 4.47Å; I366-K385 HydrophobicContact CD1-CD 4.26Å; I366-K385 HydrophobicContact CD1-CG 4.48Å; I366-K385 HydrophobicContact CG2-CB 4.22Å; I366-K385 HydrophobicContact CG2-CG 4.17Å; I366-I388 HydrophobicContact CG2-CB 4.25Å; I366-I388 HydrophobicContact CG2-CD1 4.06Å; I366-I388 HydrophobicContact CG2-CG2 3.99Å; I366-I388 WeakPolarHBondContact O-CG2 3.48Å; I366-L389 HydrophobicContact CD1-CD1 4.3Å; I366-L389 HydrophobicContact CG1-CD2 4.32Å |
| 367 | K | 97.4 | Very high | 94.8 | Very high | 130 Ų | 130 | 94.3 Ų | 94.3 | 57% | 0.565 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.2 | -43.9 | 174.2 | -66 | 170.1 | -168.2 | 163 | 0 | 111.9 | N363 D364 G370 T371 | N363-K367 WeakPolarHBondContact O-CG 3.36Å; N363-K367 PolarHBondContact O-N 3.2Å; D364-K367 WeakPolarHBondContact O-CB 3.42Å; D364-K367 PolarHBondContact O-N 3.49Å; D364-K367 WeakPolarHBondContact OD1-CE 3.43Å; D364-K367 IonicContact OD1-NZ 2.66Å; D364-K367 PolarHBondContact OD1-NZ 3.34Å; K367-G370 CarbonylContact O-C 3.46Å; K367-G370 VanDerWaalsContact O-CA 3.26Å; K367-G370 WeakPolarHBondContact O-CA 3.3Å; K367-G370 PolarHBondContact O-N 3.22Å; K367-T371 PolarHBondContact O-N 2.87Å |
| 368 | E | 98.1 | Very high | 94 | Very high | 83 Ų | 83 | 88.2 Ų | 88.2 | 39% | 0.388 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 177.7 | 179.3 | -178.1 | -137.1 | 0 | 0 | 111.4 | D364 R365 G370 T371 L372 | D364-E368 WeakPolarHBondContact O-CB 3.3Å; D364-E368 PolarHBondContact O-N 2.95Å; R365-E368 WeakPolarHBondContact CD-OE2 3.44Å; R365-E368 IonicContact CZ-OE2 2.8Å; R365-E368 IonicContact NE-OE2 2.69Å; R365-E368 IonicContact NH1-OE1 2.61Å; R365-E368 PolarHBondContact NH1-OE1 3.38Å; R365-E368 IonicContact NH1-OE2 3.39Å; R365-E368 PolarHBondContact NH1-OE2 2.84Å; E368-G370 PolarHBondContact O-N 3.35Å; E368-T371 PolarHBondContact O-N 3.07Å; E368-T371 PolarHBondContact O-OG1 2.8Å; E368-L372 PolarHBondContact O-N 2.89Å |
| 369 | L | 98.3 | Very high | 92.9 | Very high | 59 Ų | 59 | 87.8 Ų | 87.8 | 31% | 0.309 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -54.2 | -41.3 | 170 | -73.6 | 171.3 | 0 | 0 | 0 | 111.6 | R365 T371 L372 I373 I388 L389 | R365-L369 WeakPolarHBondContact O-CG 3.32Å; R365-L369 PolarHBondContact O-N 2.93Å; R365-L369 VanDerWaalsContact O-N 3.08Å; L369-T371 PolarHBondContact O-N 2.79Å; L369-T371 VanDerWaalsContact O-N 3.13Å; L369-L372 PolarHBondContact O-N 2.85Å; L369-L372 VanDerWaalsContact O-N 3.09Å; L369-I373 VanDerWaalsContact O-CD1 3.26Å; L369-I373 WeakPolarHBondContact O-CD1 3.4Å; L369-I373 WeakPolarHBondContact O-CG1 3.21Å; L369-I373 PolarHBondContact O-N 3.08Å; L369-I388 HydrophobicContact CB-CG2 4.07Å; L369-L389 HydrophobicContact CD1-CD2 4.11Å |
| 370 | G | 96.1 | Very high | 92 | Very high | 18 Ų | 18 | 88.4 Ų | 88.4 | 19% | 0.186 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.2 | -12.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | I366 K367 E368 | I366-G370 PolarHBondContact O-N 3.45Å; K367-G370 CarbonylContact O-C 3.46Å; K367-G370 VanDerWaalsContact O-CA 3.26Å; K367-G370 WeakPolarHBondContact O-CA 3.3Å; K367-G370 PolarHBondContact O-N 3.22Å; E368-G370 PolarHBondContact O-N 3.35Å |
| 371 | T | 96.1 | Very high | 91.4 | Very high | 109 Ų | 109 | 85.9 Ų | 85.9 | 67% | 0.669 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -98.2 | -23 | 171.9 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | K367 E368 L369 | K367-T371 PolarHBondContact O-N 2.87Å; E368-T371 PolarHBondContact O-N 3.07Å; E368-T371 PolarHBondContact O-OG1 2.8Å; L369-T371 PolarHBondContact O-N 2.79Å; L369-T371 VanDerWaalsContact O-N 3.13Å |
| 372 | L | 97.1 | Very high | 90.9 | Very high | 115 Ų | 115 | 91.7 Ų | 91.7 | 60% | 0.602 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -88.5 | -18.6 | -179.3 | -62.8 | 174.1 | 0 | 0 | 0 | 113.6 | E368 L369 Y395 | E368-L372 PolarHBondContact O-N 2.89Å; L369-L372 PolarHBondContact O-N 2.85Å; L369-L372 VanDerWaalsContact O-N 3.09Å; L372-Y395 WeakPolarHBondContact O-CE1 3.49Å |
| 373 | I | 95.8 | Very high | 90.6 | Very high | 13 Ų | 13 | 93 Ų | 93 | 7% | 0.067 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -77.3 | 133.1 | 176.3 | -62.7 | 154.4 | 0 | 0 | 0 | 109.7 | L369 K375 W383 I388 A391 S392 | L369-I373 VanDerWaalsContact O-CD1 3.26Å; L369-I373 WeakPolarHBondContact O-CD1 3.4Å; L369-I373 WeakPolarHBondContact O-CG1 3.21Å; L369-I373 PolarHBondContact O-N 3.08Å; I373-K375 PolarHBondContact O-N 3.06Å; I373-W383 HydrophobicContact CD1-CZ3 4.29Å; I373-W383 HydrophobicContact CG2-CH2 3.83Å; I373-W383 HydrophobicContact CG2-CZ3 4.15Å; I373-I388 HydrophobicContact CD1-CG2 3.83Å; I373-I388 VanDerWaalsContact CD1-O 3.3Å; I373-I388 WeakPolarHBondContact CD1-O 3.4Å; I373-A391 HydrophobicContact CD1-CB 4.16Å; I373-A391 HydrophobicContact CG2-CB 3.81Å; I373-S392 WeakPolarHBondContact CD1-OG 3.42Å |
| 374 | P | 94 | Very high | 90.5 | Very high | 76 Ų | 76 | 94.3 Ų | 94.3 | 49% | 0.494 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 120.4 | 169.5 | -23.7 | 33.7 | 0 | 0 | 0 | 110.6 | S376 Y395 | P374-S376 PolarHBondContact O-N 3.39Å; P374-Y395 HydrophobicContact CG-CD1 4.49Å; P374-Y395 HydrophobicContact CG-CD2 3.88Å; P374-Y395 HydrophobicContact CG-CE1 4.11Å; P374-Y395 HydrophobicContact CG-CE2 3.45Å; P374-Y395 VanDerWaalsContact CG-CE2 3.45Å; P374-Y395 HydrophobicContact CG-CG 4.39Å |
| 375 | K | 85.7 | Confident | 90.4 | Very high | 166 Ų | 166 | 97.5 Ų | 97.5 | 72% | 0.722 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 128.6 | 178.5 | -66.2 | -179.8 | -178 | 176 | 0 | 109.3 | I373 | I373-K375 PolarHBondContact O-N 3.06Š|
| 376 | S | 76.1 | Confident | 90.3 | Very high | 48 Ų | 48 | 93.2 Ų | 93.2 | 34% | 0.336 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 141.1 | 170.4 | 49.8 | 0 | 0 | 0 | 0 | 110.4 | P374 D378 M381 | P374-S376 PolarHBondContact O-N 3.39Å; S376-D378 PolarHBondContact O-N 3.22Å; S376-D378 VanDerWaalsContact O-N 3.1Å; S376-M381 VanDerWaalsContact OG-CB 3.25Å; S376-M381 WeakPolarHBondContact OG-CB 3.13Å; S376-M381 VanDerWaalsContact OG-CG 3.32Å; S376-M381 WeakPolarHBondContact OG-CG 3.2Å |
| 377 | S | 71.7 | Confident | 90.2 | Very high | 130 Ų | 130 | 94.2 Ų | 94.2 | 91% | 0.909 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -70.2 | 0.6 | 173.3 | -167.5 | 0 | 0 | 0 | 0 | 113.7 | P379 | S377-P379 WeakPolarHBondContact O-CD 3.41Š|
| 378 | D | 80 | Confident | 90.1 | Very high | 75 Ų | 75 | 88.9 Ų | 88.9 | 40% | 0.401 | 47% | 0.474 | S | S | . | . | trans | -80.8 | 114.9 | 174.4 | 173 | 10.1 | 0 | 0 | 0 | 110.3 | S376 E380 M381 | S376-D378 PolarHBondContact O-N 3.22Å; S376-D378 VanDerWaalsContact O-N 3.1Å; D378-E380 VanDerWaalsContact C-N 3.28Å; D378-E380 PolarHBondContact O-N 2.95Å; D378-E380 PolarHBondContact OD1-N 2.8Å; D378-M381 HydrophobicContact CB-CB 4.5Å; D378-M381 WeakPolarHBondContact O-CB 3.3Å; D378-M381 PolarHBondContact O-N 2.88Å | ||
| 379 | P | 75.4 | Confident | 90.1 | Very high | 130 Ų | 130 | 88.6 Ų | 88.6 | 84% | 0.844 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -15.2 | 179.7 | 31.9 | -35.8 | 0 | 0 | 0 | 113.6 | S377 M381 | S377-P379 WeakPolarHBondContact O-CD 3.41Å; P379-M381 VanDerWaalsContact C-N 3.32Å |
| 380 | E | 79.8 | Confident | 90.1 | Very high | 164 Ų | 164 | 92.2 Ų | 92.2 | 77% | 0.766 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -4.6 | 176.3 | -60.6 | -162.9 | 168.1 | 0 | 0 | 112.9 | D378 R382 | D378-E380 VanDerWaalsContact C-N 3.28Å; D378-E380 PolarHBondContact O-N 2.95Å; D378-E380 PolarHBondContact OD1-N 2.8Å; E380-R382 WeakPolarHBondContact O-CG 3.49Å; E380-R382 PolarHBondContact O-N 2.88Å |
| 381 | M | 86.7 | Confident | 90.1 | Very high | 70 Ų | 70 | 92.5 Ų | 92.5 | 35% | 0.345 | 49% | 0.489 | S | S | . | . | trans | -66 | 94.5 | -176.6 | -174.5 | 57 | 59.5 | 0 | 0 | 113 | S376 D378 P379 W383 | S376-M381 VanDerWaalsContact OG-CB 3.25Å; S376-M381 WeakPolarHBondContact OG-CB 3.13Å; S376-M381 VanDerWaalsContact OG-CG 3.32Å; S376-M381 WeakPolarHBondContact OG-CG 3.2Å; D378-M381 HydrophobicContact CB-CB 4.5Å; D378-M381 WeakPolarHBondContact O-CB 3.3Å; D378-M381 PolarHBondContact O-N 2.88Å; P379-M381 VanDerWaalsContact C-N 3.32Å; M381-W383 HydrophobicContact CG-CD2 4.42Å; M381-W383 HydrophobicContact CG-CZ2 3.95Å; M381-W383 PolarHBondContact O-N 2.61Å | ||
| 382 | R | 89.1 | Confident | 90.1 | Very high | 213 Ų | 213 | 87.7 Ų | 87.7 | 80% | 0.804 | 46% | 0.46 | S | S | * | . | trans | -76.4 | 93.5 | 179.1 | -62.9 | -175.5 | 71.6 | -165.7 | 3.3 | 111.9 | E380 N384 T387 | E380-R382 WeakPolarHBondContact O-CG 3.49Å; E380-R382 PolarHBondContact O-N 2.88Å; R382-N384 PolarHBondContact O-N 3.48Å; R382-N384 VanDerWaalsContact O-N 3.1Å; R382-N384 PolarHBondContact O-ND2 2.92Å; R382-T387 PolarHBondContact O-OG1 3.43Å; R382-T387 VanDerWaalsContact O-OG1 3.07Å | ||
| 383 | W | 91.6 | Very high | 90.2 | Very high | 96 Ų | 96 | 85.6 Ų | 85.6 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | trans | -59.8 | 109.1 | 173.8 | -63.9 | 97.6 | 0 | 0 | 0 | 112 | I373 M381 I388 A391 | I373-W383 HydrophobicContact CD1-CZ3 4.29Å; I373-W383 HydrophobicContact CG2-CH2 3.83Å; I373-W383 HydrophobicContact CG2-CZ3 4.15Å; M381-W383 HydrophobicContact CG-CD2 4.42Å; M381-W383 HydrophobicContact CG-CZ2 3.95Å; M381-W383 PolarHBondContact O-N 2.61Å; W383-I388 HydrophobicContact CB-CG1 4.38Å; W383-I388 HydrophobicContact CE3-CG1 3.75Å; W383-A391 HydrophobicContact CH2-CB 4.25Å; W383-A391 HydrophobicContact CZ3-CB 3.96Å | ||
| 384 | N | 95.5 | Very high | 90.3 | Very high | 81 Ų | 81 | 87.7 Ų | 87.7 | 43% | 0.433 | 46% | 0.463 | S | S | . | . | trans | -132.8 | 170.4 | 176.3 | 68 | 74.1 | 0 | 0 | 0 | 108.6 | R382 G386 T387 I388 | R382-N384 PolarHBondContact O-N 3.48Å; R382-N384 VanDerWaalsContact O-N 3.1Å; R382-N384 PolarHBondContact O-ND2 2.92Å; N384-G386 PolarHBondContact O-N 3.02Å; N384-G386 VanDerWaalsContact O-N 3.1Å; N384-G386 WeakPolarHBondContact OD1-CA 3.39Å; N384-G386 PolarHBondContact OD1-N 2.96Å; N384-T387 PolarHBondContact N-OG1 2.75Å; N384-T387 WeakPolarHBondContact ND2-CG2 3.44Å; N384-T387 PolarHBondContact ND2-OG1 3.39Å; N384-T387 PolarHBondContact O-N 2.66Å; N384-T387 PolarHBondContact O-OG1 2.81Å; N384-T387 PolarHBondContact OD1-N 2.83Å; N384-T387 VanDerWaalsContact OD1-N 3.15Å; N384-I388 WeakPolarHBondContact O-CB 3.39Å; N384-I388 VanDerWaalsContact O-CG1 3.25Å; N384-I388 WeakPolarHBondContact O-CG1 3.33Å; N384-I388 PolarHBondContact O-N 2.91Å | ||
| 385 | K | 96.6 | Very high | 90.5 | Very high | 115 Ų | 115 | 87.4 Ų | 87.4 | 50% | 0.5 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.7 | -34.2 | -174.3 | -57.4 | -173.8 | -169 | 178.3 | 0 | 113.3 | N363 I366 L389 | N363-K385 WeakPolarHBondContact OD1-CE 3.11Å; N363-K385 PolarHBondContact OD1-NZ 2.79Å; I366-K385 HydrophobicContact CD1-CB 4.47Å; I366-K385 HydrophobicContact CD1-CD 4.26Å; I366-K385 HydrophobicContact CD1-CG 4.48Å; I366-K385 HydrophobicContact CG2-CB 4.22Å; I366-K385 HydrophobicContact CG2-CG 4.17Å; K385-L389 WeakPolarHBondContact O-CB 3.12Å; K385-L389 WeakPolarHBondContact O-CD1 3.26Å; K385-L389 WeakPolarHBondContact O-CG 3.33Å; K385-L389 PolarHBondContact O-N 3.14Å |
| 386 | G | 97.1 | Very high | 91.1 | Very high | 46 Ų | 46 | 83.6 Ų | 83.6 | 47% | 0.474 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -72.8 | -47.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N384 L389 K390 | N384-G386 PolarHBondContact O-N 3.02Å; N384-G386 VanDerWaalsContact O-N 3.1Å; N384-G386 WeakPolarHBondContact OD1-CA 3.39Å; N384-G386 PolarHBondContact OD1-N 2.96Å; G386-L389 PolarHBondContact O-N 3.5Å; G386-K390 WeakPolarHBondContact O-CB 3.36Å; G386-K390 PolarHBondContact O-N 3.4Å |
| 387 | T | 95.7 | Very high | 92.1 | Very high | 41 Ų | 41 | 87.9 Ų | 87.9 | 25% | 0.252 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.8 | -37.4 | 179.6 | 50.2 | 0 | 0 | 0 | 0 | 112.5 | R382 N384 A391 | R382-T387 PolarHBondContact O-OG1 3.43Å; R382-T387 VanDerWaalsContact O-OG1 3.07Å; N384-T387 PolarHBondContact N-OG1 2.75Å; N384-T387 WeakPolarHBondContact ND2-CG2 3.44Å; N384-T387 PolarHBondContact ND2-OG1 3.39Å; N384-T387 PolarHBondContact O-N 2.66Å; N384-T387 PolarHBondContact O-OG1 2.81Å; N384-T387 PolarHBondContact OD1-N 2.83Å; N384-T387 VanDerWaalsContact OD1-N 3.15Å; T387-A391 VanDerWaalsContact O-CB 3.28Å; T387-A391 WeakPolarHBondContact O-CB 3.34Å; T387-A391 PolarHBondContact O-N 3.42Å |
| 388 | I | 96.6 | Very high | 93.4 | Very high | 18 Ų | 18 | 87.1 Ų | 87.1 | 9% | 0.092 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -57.7 | -57.1 | 170.7 | -66.8 | 166.3 | 0 | 0 | 0 | 110 | I366 L369 I373 W383 N384 K390 A391 S392 | I366-I388 HydrophobicContact CG2-CB 4.25Å; I366-I388 HydrophobicContact CG2-CD1 4.06Å; I366-I388 HydrophobicContact CG2-CG2 3.99Å; I366-I388 WeakPolarHBondContact O-CG2 3.48Å; L369-I388 HydrophobicContact CB-CG2 4.07Å; I373-I388 HydrophobicContact CD1-CG2 3.83Å; I373-I388 VanDerWaalsContact CD1-O 3.3Å; I373-I388 WeakPolarHBondContact CD1-O 3.4Å; W383-I388 HydrophobicContact CB-CG1 4.38Å; W383-I388 HydrophobicContact CE3-CG1 3.75Å; N384-I388 WeakPolarHBondContact O-CB 3.39Å; N384-I388 VanDerWaalsContact O-CG1 3.25Å; N384-I388 WeakPolarHBondContact O-CG1 3.33Å; N384-I388 PolarHBondContact O-N 2.91Å; I388-K390 VanDerWaalsContact C-N 3.34Å; I388-K390 PolarHBondContact O-N 2.89Å; I388-A391 PolarHBondContact O-N 3.33Å; I388-A391 VanDerWaalsContact O-N 3.16Å; I388-S392 PolarHBondContact O-N 3.33Å; I388-S392 PolarHBondContact O-OG 3.43Å |
| 389 | L | 98.2 | Very high | 94.3 | Very high | 77 Ų | 77 | 87 Ų | 87 | 40% | 0.403 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | -176.8 | -73.7 | 171.5 | 0 | 0 | 0 | 112.4 | I366 L369 K385 G386 S392 V393 | I366-L389 HydrophobicContact CD1-CD1 4.3Å; I366-L389 HydrophobicContact CG1-CD2 4.32Å; L369-L389 HydrophobicContact CD1-CD2 4.11Å; K385-L389 WeakPolarHBondContact O-CB 3.12Å; K385-L389 WeakPolarHBondContact O-CD1 3.26Å; K385-L389 WeakPolarHBondContact O-CG 3.33Å; K385-L389 PolarHBondContact O-N 3.14Å; G386-L389 PolarHBondContact O-N 3.5Å; L389-S392 WeakPolarHBondContact O-CB 3.4Å; L389-S392 PolarHBondContact O-N 3Å; L389-V393 WeakPolarHBondContact O-CG2 3.25Å; L389-V393 PolarHBondContact O-N 3.22Å |
| 390 | K | 96.6 | Very high | 95.4 | Very high | 135 Ų | 135 | 86.4 Ų | 86.4 | 59% | 0.587 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -58.3 | -51.9 | 173.2 | -178.1 | -175.1 | 178.9 | -64.1 | 0 | 110.8 | G386 I388 S392 V393 D394 | G386-K390 WeakPolarHBondContact O-CB 3.36Å; G386-K390 PolarHBondContact O-N 3.4Å; I388-K390 VanDerWaalsContact C-N 3.34Å; I388-K390 PolarHBondContact O-N 2.89Å; K390-S392 VanDerWaalsContact C-N 3.31Å; K390-S392 PolarHBondContact O-N 2.85Å; K390-V393 PolarHBondContact O-N 3.38Å; K390-D394 IonicContact NZ-OD2 2.69Å; K390-D394 PolarHBondContact NZ-OD2 3.15Å; K390-D394 PolarHBondContact O-N 2.9Å |
| 391 | A | 96 | Very high | 96.2 | Very high | 24 Ų | 24 | 86.5 Ų | 86.5 | 20% | 0.198 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.6 | -29.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I373 W383 T387 I388 Y395 | I373-A391 HydrophobicContact CD1-CB 4.16Å; I373-A391 HydrophobicContact CG2-CB 3.81Å; W383-A391 HydrophobicContact CH2-CB 4.25Å; W383-A391 HydrophobicContact CZ3-CB 3.96Å; T387-A391 VanDerWaalsContact O-CB 3.28Å; T387-A391 WeakPolarHBondContact O-CB 3.34Å; T387-A391 PolarHBondContact O-N 3.42Å; I388-A391 PolarHBondContact O-N 3.33Å; I388-A391 VanDerWaalsContact O-N 3.16Å; A391-Y395 WeakPolarHBondContact O-CB 3.4Å; A391-Y395 PolarHBondContact O-N 2.92Å |
| 392 | S | 98 | Very high | 96.8 | Very high | 9 Ų | 9 | 87.6 Ų | 87.6 | 6% | 0.063 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.6 | -50.8 | 168.5 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | I373 I388 L389 K390 Y395 I396 | I373-S392 WeakPolarHBondContact CD1-OG 3.42Å; I388-S392 PolarHBondContact O-N 3.33Å; I388-S392 PolarHBondContact O-OG 3.43Å; L389-S392 WeakPolarHBondContact O-CB 3.4Å; L389-S392 PolarHBondContact O-N 3Å; K390-S392 VanDerWaalsContact C-N 3.31Å; K390-S392 PolarHBondContact O-N 2.85Å; S392-Y395 PolarHBondContact O-N 3.29Å; S392-I396 VanDerWaalsContact O-CG1 3.26Å; S392-I396 WeakPolarHBondContact O-CG1 3.48Å; S392-I396 PolarHBondContact O-N 3.26Å |
| 393 | V | 98.4 | Very high | 97.2 | Very high | 70 Ų | 70 | 83.3 Ų | 83.3 | 42% | 0.424 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -70.6 | -36.4 | -176.8 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | L389 K390 R397 | L389-V393 WeakPolarHBondContact O-CG2 3.25Å; L389-V393 PolarHBondContact O-N 3.22Å; K390-V393 PolarHBondContact O-N 3.38Å; V393-R397 WeakPolarHBondContact O-CG 3.39Å; V393-R397 PolarHBondContact O-N 2.76Å; V393-R397 VanDerWaalsContact O-N 3.09Å; V393-R397 PolarHBondContact O-NE 3.31Å |
| 394 | D | 97.5 | Very high | 97.6 | Very high | 58 Ų | 58 | 83.3 Ų | 83.3 | 31% | 0.31 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 172.2 | -69.7 | -26.7 | 0 | 0 | 0 | 112.1 | K390 R397 K398 | K390-D394 IonicContact NZ-OD2 2.69Å; K390-D394 PolarHBondContact NZ-OD2 3.15Å; K390-D394 PolarHBondContact O-N 2.9Å; D394-R397 PolarHBondContact O-N 3.04Å; D394-R397 IonicContact OD1-CZ 3.25Å; D394-R397 IonicContact OD1-NE 2.73Å; D394-R397 IonicContact OD1-NH2 3.58Å; D394-R397 PolarHBondContact OD1-NH2 3.33Å; D394-K398 PolarHBondContact O-N 3.05Å |
| 395 | Y | 97.8 | Very high | 97.7 | Very high | 69 Ų | 69 | 87.6 Ų | 87.6 | 27% | 0.271 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.6 | -40.2 | 178.2 | -175.2 | -133.2 | 0 | 0 | 0 | 112.7 | L372 P374 A391 S392 R397 K398 L399 | L372-Y395 WeakPolarHBondContact O-CE1 3.49Å; P374-Y395 HydrophobicContact CG-CD1 4.49Å; P374-Y395 HydrophobicContact CG-CD2 3.88Å; P374-Y395 HydrophobicContact CG-CE1 4.11Å; P374-Y395 HydrophobicContact CG-CE2 3.45Å; P374-Y395 VanDerWaalsContact CG-CE2 3.45Å; P374-Y395 HydrophobicContact CG-CG 4.39Å; A391-Y395 WeakPolarHBondContact O-CB 3.4Å; A391-Y395 PolarHBondContact O-N 2.92Å; S392-Y395 PolarHBondContact O-N 3.29Å; Y395-R397 VanDerWaalsContact C-N 3.31Å; Y395-R397 PolarHBondContact O-N 2.74Å; Y395-K398 HydrophobicContact CD2-CD 4.4Å; Y395-K398 WeakPolarHBondContact O-CB 3.31Å; Y395-K398 PolarHBondContact O-N 3.47Å; Y395-K398 VanDerWaalsContact O-N 3.14Å; Y395-L399 HydrophobicContact CD1-CD1 4.04Å; Y395-L399 HydrophobicContact CD2-CD1 4.43Å; Y395-L399 HydrophobicContact CD2-CG 4.16Å; Y395-L399 HydrophobicContact CE1-CD1 3.67Å; Y395-L399 HydrophobicContact CE1-CG 4.34Å; Y395-L399 HydrophobicContact CE2-CD1 4.08Å; Y395-L399 HydrophobicContact CE2-CD2 3.94Å; Y395-L399 HydrophobicContact CE2-CG 3.82Å; Y395-L399 HydrophobicContact CG-CD1 4.41Å; Y395-L399 WeakPolarHBondContact O-CG 3.47Å; Y395-L399 PolarHBondContact O-N 3.22Å |
| 396 | I | 98.5 | Very high | 97.8 | Very high | 86 Ų | 86 | 85.6 Ų | 85.6 | 44% | 0.441 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 172.2 | -70.1 | 163.1 | 0 | 0 | 0 | 110.4 | S392 K398 L399 Q400 | S392-I396 VanDerWaalsContact O-CG1 3.26Å; S392-I396 WeakPolarHBondContact O-CG1 3.48Å; S392-I396 PolarHBondContact O-N 3.26Å; I396-K398 PolarHBondContact O-N 2.81Å; I396-L399 PolarHBondContact O-N 3.05Å; I396-Q400 HydrophobicContact CG2-CG 4.46Å; I396-Q400 WeakPolarHBondContact O-CB 3.37Å; I396-Q400 VanDerWaalsContact O-CG 3.31Å; I396-Q400 WeakPolarHBondContact O-CG 3.22Å; I396-Q400 PolarHBondContact O-N 3.43Å |
| 397 | R | 98.4 | Very high | 97.8 | Very high | 139 Ų | 139 | 88.9 Ų | 88.9 | 53% | 0.525 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 174.6 | -75.7 | -173.8 | -73.9 | -125.6 | 3.8 | 112.9 | V393 D394 Y395 K401 | V393-R397 WeakPolarHBondContact O-CG 3.39Å; V393-R397 PolarHBondContact O-N 2.76Å; V393-R397 VanDerWaalsContact O-N 3.09Å; V393-R397 PolarHBondContact O-NE 3.31Å; D394-R397 PolarHBondContact O-N 3.04Å; D394-R397 IonicContact OD1-CZ 3.25Å; D394-R397 IonicContact OD1-NE 2.73Å; D394-R397 IonicContact OD1-NH2 3.58Å; D394-R397 PolarHBondContact OD1-NH2 3.33Å; Y395-R397 VanDerWaalsContact C-N 3.31Å; Y395-R397 PolarHBondContact O-N 2.74Å; R397-K401 PolarHBondContact O-N 3.11Å |
| 398 | K | 97.8 | Very high | 98 | Very high | 113 Ų | 113 | 91 Ų | 91 | 49% | 0.491 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60 | -54.2 | 172.2 | -176.9 | -172.8 | -179.6 | -91.5 | 0 | 110.3 | D394 Y395 I396 Q400 K401 E402 | D394-K398 PolarHBondContact O-N 3.05Å; Y395-K398 HydrophobicContact CD2-CD 4.4Å; Y395-K398 WeakPolarHBondContact O-CB 3.31Å; Y395-K398 PolarHBondContact O-N 3.47Å; Y395-K398 VanDerWaalsContact O-N 3.14Å; I396-K398 PolarHBondContact O-N 2.81Å; K398-Q400 VanDerWaalsContact C-N 3.33Å; K398-Q400 PolarHBondContact O-N 3.42Å; K398-K401 PolarHBondContact O-N 3.05Å; K398-K401 VanDerWaalsContact O-N 3.13Å; K398-E402 IonicContact NZ-OE1 3.99Å; K398-E402 PolarHBondContact NZ-OE1 3.37Å; K398-E402 IonicContact NZ-OE2 3Å; K398-E402 PolarHBondContact NZ-OE2 3.44Å; K398-E402 VanDerWaalsContact O-CB 3.31Å; K398-E402 WeakPolarHBondContact O-CB 3.4Å; K398-E402 PolarHBondContact O-N 2.97Å |
| 399 | L | 98.4 | Very high | 98.1 | Very high | 73 Ų | 73 | 94.7 Ų | 94.7 | 38% | 0.382 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.2 | -39.4 | -177.4 | -71.8 | 175.3 | 0 | 0 | 0 | 112.4 | Y395 I396 E402 Q403 | Y395-L399 HydrophobicContact CD1-CD1 4.04Å; Y395-L399 HydrophobicContact CD2-CD1 4.43Å; Y395-L399 HydrophobicContact CD2-CG 4.16Å; Y395-L399 HydrophobicContact CE1-CD1 3.67Å; Y395-L399 HydrophobicContact CE1-CG 4.34Å; Y395-L399 HydrophobicContact CE2-CD1 4.08Å; Y395-L399 HydrophobicContact CE2-CD2 3.94Å; Y395-L399 HydrophobicContact CE2-CG 3.82Å; Y395-L399 HydrophobicContact CG-CD1 4.41Å; Y395-L399 WeakPolarHBondContact O-CG 3.47Å; Y395-L399 PolarHBondContact O-N 3.22Å; I396-L399 PolarHBondContact O-N 3.05Å; L399-E402 PolarHBondContact O-N 3.06Å; L399-Q403 VanDerWaalsContact O-CB 3.27Å; L399-Q403 WeakPolarHBondContact O-CB 3.28Å; L399-Q403 PolarHBondContact O-N 2.81Å |
| 400 | Q | 98.4 | Very high | 98.1 | Very high | 117 Ų | 117 | 95 Ų | 95 | 55% | 0.547 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 174.6 | -74.3 | 171.1 | -28 | 0 | 0 | 112.1 | I396 K398 Q404 | I396-Q400 HydrophobicContact CG2-CG 4.46Å; I396-Q400 WeakPolarHBondContact O-CB 3.37Å; I396-Q400 VanDerWaalsContact O-CG 3.31Å; I396-Q400 WeakPolarHBondContact O-CG 3.22Å; I396-Q400 PolarHBondContact O-N 3.43Å; K398-Q400 VanDerWaalsContact C-N 3.33Å; K398-Q400 PolarHBondContact O-N 3.42Å; Q400-Q404 PolarHBondContact O-N 3.11Å |
| 401 | K | 98.2 | Very high | 98.2 | Very high | 167 Ų | 167 | 92.5 Ų | 92.5 | 73% | 0.726 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -67.2 | -36.4 | 175.9 | -175.5 | 174.7 | -179.6 | 176.9 | 0 | 112.3 | R397 K398 R405 | R397-K401 PolarHBondContact O-N 3.11Å; K398-K401 PolarHBondContact O-N 3.05Å; K398-K401 VanDerWaalsContact O-N 3.13Å; K401-R405 WeakPolarHBondContact O-CB 3.48Å; K401-R405 PolarHBondContact O-N 3.09Å |
| 402 | E | 98.3 | Very high | 98.3 | Very high | 92 Ų | 92 | 99.4 Ų | 99.4 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.6 | -40.4 | 178.6 | -164.5 | 155.4 | -138 | 0 | 0 | 111.3 | K398 L399 R405 S406 | K398-E402 IonicContact NZ-OE1 3.99Å; K398-E402 PolarHBondContact NZ-OE1 3.37Å; K398-E402 IonicContact NZ-OE2 3Å; K398-E402 PolarHBondContact NZ-OE2 3.44Å; K398-E402 VanDerWaalsContact O-CB 3.31Å; K398-E402 WeakPolarHBondContact O-CB 3.4Å; K398-E402 PolarHBondContact O-N 2.97Å; L399-E402 PolarHBondContact O-N 3.06Å; E402-R405 PolarHBondContact O-N 3.32Å; E402-S406 WeakPolarHBondContact O-CB 3.44Å; E402-S406 PolarHBondContact O-N 2.89Å |
| 403 | Q | 98.5 | Very high | 98.3 | Very high | 123 Ų | 123 | 104.4 Ų | 104.4 | 58% | 0.575 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.6 | -42.7 | 172.6 | -171.4 | -176.6 | 41 | 0 | 0 | 111.9 | L399 S406 K407 | L399-Q403 VanDerWaalsContact O-CB 3.27Å; L399-Q403 WeakPolarHBondContact O-CB 3.28Å; L399-Q403 PolarHBondContact O-N 2.81Å; Q403-S406 WeakPolarHBondContact O-CB 3.38Å; Q403-S406 PolarHBondContact O-N 3.37Å; Q403-K407 PolarHBondContact O-N 2.93Å; Q403-K407 VanDerWaalsContact O-N 3.16Å |
| 404 | Q | 98.1 | Very high | 98.3 | Very high | 97 Ų | 97 | 108.5 Ų | 108.5 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -48.5 | 174.5 | -175.4 | 57.2 | 41.6 | 0 | 0 | 111 | Q400 S406 K407 D408 | Q400-Q404 PolarHBondContact O-N 3.11Å; Q404-S406 PolarHBondContact O-N 2.89Å; Q404-K407 WeakPolarHBondContact O-CB 3.37Å; Q404-K407 PolarHBondContact O-N 3.49Å; Q404-D408 PolarHBondContact NE2-OD1 3.13Å; Q404-D408 PolarHBondContact O-N 2.9Å |
| 405 | R | 98.4 | Very high | 98.4 | Very high | 171 Ų | 171 | 109.2 Ų | 109.2 | 65% | 0.645 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -56.2 | -35.5 | 175.6 | -174.9 | -176.2 | 179.9 | -161.8 | -0.3 | 112.3 | K401 E402 D408 L409 | K401-R405 WeakPolarHBondContact O-CB 3.48Å; K401-R405 PolarHBondContact O-N 3.09Å; E402-R405 PolarHBondContact O-N 3.32Å; R405-D408 PolarHBondContact O-N 3.37Å; R405-L409 HydrophobicContact CG-CD1 4.15Å; R405-L409 WeakPolarHBondContact O-CB 3.49Å; R405-L409 VanDerWaalsContact O-CG 3.28Å; R405-L409 WeakPolarHBondContact O-CG 3.43Å; R405-L409 PolarHBondContact O-N 2.98Å |
| 406 | S | 98.4 | Very high | 98.4 | Very high | 72 Ų | 72 | 110.8 Ų | 110.8 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 175.2 | -162.2 | 0 | 0 | 0 | 0 | 111.9 | E402 Q403 Q404 L409 E410 | E402-S406 WeakPolarHBondContact O-CB 3.44Å; E402-S406 PolarHBondContact O-N 2.89Å; Q403-S406 WeakPolarHBondContact O-CB 3.38Å; Q403-S406 PolarHBondContact O-N 3.37Å; Q404-S406 PolarHBondContact O-N 2.89Å; S406-L409 PolarHBondContact O-N 2.74Å; S406-E410 WeakPolarHBondContact O-CB 3.28Å; S406-E410 PolarHBondContact O-N 2.91Å |
| 407 | K | 98.5 | Very high | 98.4 | Very high | 115 Ų | 115 | 110.3 Ų | 110.3 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 174.9 | -65.5 | 175.4 | 179.4 | -178.7 | 0 | 112.1 | Q403 Q404 L409 E410 S411 | Q403-K407 PolarHBondContact O-N 2.93Å; Q403-K407 VanDerWaalsContact O-N 3.16Å; Q404-K407 WeakPolarHBondContact O-CB 3.37Å; Q404-K407 PolarHBondContact O-N 3.49Å; K407-L409 VanDerWaalsContact C-N 3.31Å; K407-L409 PolarHBondContact O-N 2.87Å; K407-E410 PolarHBondContact O-N 3.37Å; K407-S411 WeakPolarHBondContact O-CB 3.43Å; K407-S411 PolarHBondContact O-N 3.29Å |
| 408 | D | 98.3 | Very high | 98.4 | Very high | 86 Ų | 86 | 110 Ų | 110 | 46% | 0.46 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 177.7 | -53.8 | -30.1 | 0 | 0 | 0 | 111 | Q404 R405 R412 | Q404-D408 PolarHBondContact NE2-OD1 3.13Å; Q404-D408 PolarHBondContact O-N 2.9Å; R405-D408 PolarHBondContact O-N 3.37Å; D408-R412 WeakPolarHBondContact O-CB 3.44Å; D408-R412 PolarHBondContact O-N 3.36Å |
| 409 | L | 98.6 | Very high | 98.4 | Very high | 96 Ų | 96 | 106.7 Ų | 106.7 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.1 | -42.6 | 174.8 | -75.2 | 169 | 0 | 0 | 0 | 112.4 | R405 S406 K407 R412 Q413 | R405-L409 HydrophobicContact CG-CD1 4.15Å; R405-L409 WeakPolarHBondContact O-CB 3.49Å; R405-L409 VanDerWaalsContact O-CG 3.28Å; R405-L409 WeakPolarHBondContact O-CG 3.43Å; R405-L409 PolarHBondContact O-N 2.98Å; S406-L409 PolarHBondContact O-N 2.74Å; K407-L409 VanDerWaalsContact C-N 3.31Å; K407-L409 PolarHBondContact O-N 2.87Å; L409-R412 PolarHBondContact O-N 3.39Å; L409-Q413 WeakPolarHBondContact O-CB 3.39Å; L409-Q413 PolarHBondContact O-N 3.07Å |
| 410 | E | 98.4 | Very high | 98.4 | Very high | 84 Ų | 84 | 107.5 Ų | 107.5 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 177.2 | -166.1 | -160.4 | 145.7 | 0 | 0 | 111.6 | S406 K407 R412 Q413 R414 | S406-E410 WeakPolarHBondContact O-CB 3.28Å; S406-E410 PolarHBondContact O-N 2.91Å; K407-E410 PolarHBondContact O-N 3.37Å; E410-R412 PolarHBondContact O-N 2.82Å; E410-Q413 WeakPolarHBondContact O-CB 3.44Å; E410-Q413 PolarHBondContact O-N 3.08Å; E410-R414 WeakPolarHBondContact O-CG 3.39Å; E410-R414 PolarHBondContact O-N 3.4Å; E410-R414 IonicContact OE1-CZ 3.52Å; E410-R414 VanDerWaalsContact OE1-CZ 3.23Å; E410-R414 IonicContact OE1-NE 2.79Å; E410-R414 PolarHBondContact OE1-NE 3.02Å; E410-R414 IonicContact OE1-NH2 3.24Å; E410-R414 PolarHBondContact OE1-NH2 2.89Å |
| 411 | S | 98.5 | Very high | 98.4 | Very high | 82 Ų | 82 | 108.1 Ų | 108.1 | 57% | 0.573 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.7 | -45.8 | 173.7 | -179 | 0 | 0 | 0 | 0 | 111.4 | K407 Q413 R414 S415 | K407-S411 WeakPolarHBondContact O-CB 3.43Å; K407-S411 PolarHBondContact O-N 3.29Å; S411-Q413 VanDerWaalsContact C-N 3.34Å; S411-Q413 PolarHBondContact O-N 2.89Å; S411-R414 PolarHBondContact O-N 3.3Å; S411-S415 PolarHBondContact O-N 2.83Å |
| 412 | R | 98.4 | Very high | 98.4 | Very high | 169 Ų | 169 | 103.8 Ų | 103.8 | 64% | 0.638 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -38.1 | 174.5 | -174.3 | 177.6 | 179.2 | -172.6 | -1 | 112.3 | D408 L409 E410 S415 L416 | D408-R412 WeakPolarHBondContact O-CB 3.44Å; D408-R412 PolarHBondContact O-N 3.36Å; L409-R412 PolarHBondContact O-N 3.39Å; E410-R412 PolarHBondContact O-N 2.82Å; R412-S415 PolarHBondContact O-N 3.36Å; R412-L416 HydrophobicContact CG-CD1 4.13Å; R412-L416 HydrophobicContact CG-CG 4.48Å; R412-L416 WeakPolarHBondContact O-CB 3.49Å; R412-L416 WeakPolarHBondContact O-CG 3.47Å; R412-L416 PolarHBondContact O-N 3.46Å |
| 413 | Q | 98.4 | Very high | 98.4 | Very high | 113 Ų | 113 | 104.6 Ų | 104.6 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -52.4 | 175.8 | -179.2 | -174.9 | -32 | 0 | 0 | 110.8 | L409 E410 S411 S415 L416 E417 | L409-Q413 WeakPolarHBondContact O-CB 3.39Å; L409-Q413 PolarHBondContact O-N 3.07Å; E410-Q413 WeakPolarHBondContact O-CB 3.44Å; E410-Q413 PolarHBondContact O-N 3.08Å; S411-Q413 VanDerWaalsContact C-N 3.34Å; S411-Q413 PolarHBondContact O-N 2.89Å; Q413-S415 PolarHBondContact O-N 2.86Å; Q413-L416 PolarHBondContact O-N 3.08Å; Q413-E417 HydrophobicContact CG-CG 4.41Å; Q413-E417 WeakPolarHBondContact CG-OE1 3.25Å; Q413-E417 PolarHBondContact NE2-OE1 2.78Å; Q413-E417 WeakPolarHBondContact O-CG 3.46Å; Q413-E417 PolarHBondContact O-N 3.31Å |
| 414 | R | 98.6 | Very high | 98.4 | Very high | 157 Ų | 157 | 102.2 Ų | 102.2 | 59% | 0.592 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -55 | -40 | 177.2 | -68.4 | 170.4 | -179.4 | -124.8 | 7.9 | 111.9 | E410 S411 Q418 | E410-R414 WeakPolarHBondContact O-CG 3.39Å; E410-R414 PolarHBondContact O-N 3.4Å; E410-R414 IonicContact OE1-CZ 3.52Å; E410-R414 VanDerWaalsContact OE1-CZ 3.23Å; E410-R414 IonicContact OE1-NE 2.79Å; E410-R414 PolarHBondContact OE1-NE 3.02Å; E410-R414 IonicContact OE1-NH2 3.24Å; E410-R414 PolarHBondContact OE1-NH2 2.89Å; S411-R414 PolarHBondContact O-N 3.3Å; R414-Q418 PolarHBondContact O-N 2.91Å |
| 415 | S | 98.6 | Very high | 98.3 | Very high | 72 Ų | 72 | 102.9 Ų | 102.9 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 175 | 178.8 | 0 | 0 | 0 | 0 | 112.9 | S411 R412 Q413 Q418 A419 | S411-S415 PolarHBondContact O-N 2.83Å; R412-S415 PolarHBondContact O-N 3.36Å; Q413-S415 PolarHBondContact O-N 2.86Å; S415-Q418 PolarHBondContact O-N 2.88Å; S415-A419 WeakPolarHBondContact O-CB 3.2Å; S415-A419 PolarHBondContact O-N 3.27Å |
| 416 | L | 98.6 | Very high | 98.3 | Very high | 103 Ų | 103 | 100.3 Ų | 100.3 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -38 | 175.5 | -74 | 169.9 | 0 | 0 | 0 | 112.2 | R412 Q413 A419 N420 | R412-L416 HydrophobicContact CG-CD1 4.13Å; R412-L416 HydrophobicContact CG-CG 4.48Å; R412-L416 WeakPolarHBondContact O-CB 3.49Å; R412-L416 WeakPolarHBondContact O-CG 3.47Å; R412-L416 PolarHBondContact O-N 3.46Å; Q413-L416 PolarHBondContact O-N 3.08Å; L416-A419 PolarHBondContact O-N 3.41Å; L416-N420 VanDerWaalsContact O-CB 3.26Å; L416-N420 WeakPolarHBondContact O-CB 3.24Å; L416-N420 PolarHBondContact O-N 2.67Å |
| 417 | E | 98.4 | Very high | 98.1 | Very high | 76 Ų | 76 | 100.7 Ų | 100.7 | 36% | 0.355 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 173.8 | -71 | 174 | -163.1 | 0 | 0 | 112.2 | Q413 N420 R421 | Q413-E417 HydrophobicContact CG-CG 4.41Å; Q413-E417 WeakPolarHBondContact CG-OE1 3.25Å; Q413-E417 PolarHBondContact NE2-OE1 2.78Å; Q413-E417 WeakPolarHBondContact O-CG 3.46Å; Q413-E417 PolarHBondContact O-N 3.31Å; E417-N420 PolarHBondContact O-N 3Å; E417-R421 WeakPolarHBondContact O-CG 3.21Å; E417-R421 PolarHBondContact O-N 3.19Å; E417-R421 IonicContact OE2-NH1 2.67Å |
| 418 | Q | 98.4 | Very high | 98 | Very high | 132 Ų | 132 | 100.4 Ų | 100.4 | 62% | 0.617 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.6 | -43.6 | 174.6 | -175.2 | -178.9 | 5.5 | 0 | 0 | 111.5 | R414 S415 N420 R421 S422 | R414-Q418 PolarHBondContact O-N 2.91Å; S415-Q418 PolarHBondContact O-N 2.88Å; Q418-N420 VanDerWaalsContact C-N 3.34Å; Q418-R421 PolarHBondContact O-N 3.43Å; Q418-S422 WeakPolarHBondContact O-CB 3.43Å; Q418-S422 PolarHBondContact O-N 2.89Å |
| 419 | A | 98.4 | Very high | 97.8 | Very high | 44 Ų | 44 | 100 Ų | 100 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S415 L416 S422 L423 | S415-A419 WeakPolarHBondContact O-CB 3.2Å; S415-A419 PolarHBondContact O-N 3.27Å; L416-A419 PolarHBondContact O-N 3.41Å; A419-S422 PolarHBondContact O-N 3.11Å; A419-L423 VanDerWaalsContact O-CG 3.32Å; A419-L423 WeakPolarHBondContact O-CG 3.3Å; A419-L423 PolarHBondContact O-N 3.49Å |
| 420 | N | 98.4 | Very high | 97.7 | Very high | 89 Ų | 89 | 99.3 Ų | 99.3 | 48% | 0.476 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -46.5 | 177.3 | -162.6 | -24.9 | 0 | 0 | 0 | 111.3 | L416 E417 Q418 S422 L423 Q424 | L416-N420 VanDerWaalsContact O-CB 3.26Å; L416-N420 WeakPolarHBondContact O-CB 3.24Å; L416-N420 PolarHBondContact O-N 2.67Å; E417-N420 PolarHBondContact O-N 3Å; Q418-N420 VanDerWaalsContact C-N 3.34Å; N420-S422 VanDerWaalsContact C-N 3.32Å; N420-S422 PolarHBondContact O-N 3.48Å; N420-L423 PolarHBondContact O-N 3.29Å; N420-Q424 VanDerWaalsContact O-CG 3.29Å; N420-Q424 WeakPolarHBondContact O-CG 3.45Å; N420-Q424 PolarHBondContact O-N 3.48Å; N420-Q424 PolarHBondContact OD1-NE2 3.46Å |
| 421 | R | 98.1 | Very high | 97.4 | Very high | 130 Ų | 130 | 97.5 Ų | 97.5 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56.4 | -42.9 | 172.3 | -74.4 | -177 | -70.5 | -98 | -0.8 | 112.5 | E417 Q418 Q424 L425 | E417-R421 WeakPolarHBondContact O-CG 3.21Å; E417-R421 PolarHBondContact O-N 3.19Å; E417-R421 IonicContact OE2-NH1 2.67Å; Q418-R421 PolarHBondContact O-N 3.43Å; R421-Q424 PolarHBondContact O-N 2.98Å; R421-L425 WeakPolarHBondContact O-CG 3.46Å; R421-L425 PolarHBondContact O-N 2.9Å; R421-L425 VanDerWaalsContact O-N 3.11Å |
| 422 | S | 98.3 | Very high | 97.2 | Very high | 76 Ų | 76 | 98.2 Ų | 98.2 | 53% | 0.531 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 176.2 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | Q418 A419 N420 L425 R426 | Q418-S422 WeakPolarHBondContact O-CB 3.43Å; Q418-S422 PolarHBondContact O-N 2.89Å; A419-S422 PolarHBondContact O-N 3.11Å; N420-S422 VanDerWaalsContact C-N 3.32Å; N420-S422 PolarHBondContact O-N 3.48Å; S422-L425 PolarHBondContact O-N 3.41Å; S422-R426 WeakPolarHBondContact O-CB 3.4Å; S422-R426 PolarHBondContact O-N 2.85Å |
| 423 | L | 98.3 | Very high | 97 | Very high | 110 Ų | 110 | 93.9 Ų | 93.9 | 58% | 0.576 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.2 | -38.7 | 176.1 | -70.8 | 170.7 | 0 | 0 | 0 | 112.4 | A419 N420 R426 I427 | A419-L423 VanDerWaalsContact O-CG 3.32Å; A419-L423 WeakPolarHBondContact O-CG 3.3Å; A419-L423 PolarHBondContact O-N 3.49Å; N420-L423 PolarHBondContact O-N 3.29Å; L423-R426 PolarHBondContact O-N 2.9Å; L423-I427 WeakPolarHBondContact O-CB 3.41Å; L423-I427 WeakPolarHBondContact O-CD1 3.27Å; L423-I427 VanDerWaalsContact O-CG1 3.25Å; L423-I427 WeakPolarHBondContact O-CG1 3.31Å; L423-I427 PolarHBondContact O-N 3.26Å |
| 424 | Q | 97.2 | Very high | 96.7 | Very high | 73 Ų | 73 | 89.6 Ų | 89.6 | 34% | 0.341 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 175.2 | -71 | 170.4 | 18.2 | 0 | 0 | 111.6 | N420 R421 R426 I427 Q428 L447 | N420-Q424 VanDerWaalsContact O-CG 3.29Å; N420-Q424 WeakPolarHBondContact O-CG 3.45Å; N420-Q424 PolarHBondContact O-N 3.48Å; N420-Q424 PolarHBondContact OD1-NE2 3.46Å; R421-Q424 PolarHBondContact O-N 2.98Å; Q424-R426 PolarHBondContact O-N 3.46Å; Q424-I427 PolarHBondContact O-N 2.84Å; Q424-Q428 PolarHBondContact O-N 2.83Å; Q424-L447 HydrophobicContact CB-CD2 4.34Å; Q424-L447 HydrophobicContact CG-CD2 3.87Å |
| 425 | L | 96.9 | Very high | 96.4 | Very high | 110 Ų | 110 | 88.5 Ų | 88.5 | 58% | 0.576 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.9 | -40.6 | 175.1 | -69 | 171.6 | 0 | 0 | 0 | 111.9 | R421 S422 I427 Q428 E429 | R421-L425 WeakPolarHBondContact O-CG 3.46Å; R421-L425 PolarHBondContact O-N 2.9Å; R421-L425 VanDerWaalsContact O-N 3.11Å; S422-L425 PolarHBondContact O-N 3.41Å; L425-I427 VanDerWaalsContact C-N 3.35Å; L425-I427 PolarHBondContact O-N 2.83Å; L425-Q428 PolarHBondContact O-N 2.99Å; L425-E429 WeakPolarHBondContact O-CB 3.44Å; L425-E429 PolarHBondContact O-N 2.94Å |
| 426 | R | 97.7 | Very high | 96.1 | Very high | 118 Ų | 118 | 91 Ų | 91 | 45% | 0.445 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68 | -32.3 | 176.8 | -176.5 | 57.3 | -175.5 | -173.6 | 11.5 | 113 | S422 L423 Q424 E429 L430 | S422-R426 WeakPolarHBondContact O-CB 3.4Å; S422-R426 PolarHBondContact O-N 2.85Å; L423-R426 PolarHBondContact O-N 2.9Å; Q424-R426 PolarHBondContact O-N 3.46Å; R426-E429 WeakPolarHBondContact CD-OE2 3.47Å; R426-E429 IonicContact CZ-OE1 3.52Å; R426-E429 IonicContact CZ-OE2 3.49Å; R426-E429 IonicContact NE-OE2 3.75Å; R426-E429 IonicContact NH1-OE1 2.67Å; R426-E429 PolarHBondContact NH1-OE1 3.43Å; R426-E429 IonicContact NH1-OE2 4Å; R426-E429 PolarHBondContact NH1-OE2 2.86Å; R426-E429 IonicContact NH2-OE1 3.99Å; R426-L430 HydrophobicContact CG-CD1 4.19Å; R426-L430 WeakPolarHBondContact O-CB 3.39Å; R426-L430 WeakPolarHBondContact O-CD1 3.19Å; R426-L430 VanDerWaalsContact O-CG 3.25Å; R426-L430 WeakPolarHBondContact O-CG 3.5Å; R426-L430 PolarHBondContact O-N 3.16Å; R426-L430 VanDerWaalsContact O-N 3.15Å |
| 427 | I | 95.6 | Very high | 95.9 | Very high | 79 Ų | 79 | 93.5 Ų | 93.5 | 41% | 0.405 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.7 | -51.6 | 171.5 | -72.2 | 162 | 0 | 0 | 0 | 109.3 | L423 Q424 L425 E429 L430 E431 | L423-I427 WeakPolarHBondContact O-CB 3.41Å; L423-I427 WeakPolarHBondContact O-CD1 3.27Å; L423-I427 VanDerWaalsContact O-CG1 3.25Å; L423-I427 WeakPolarHBondContact O-CG1 3.31Å; L423-I427 PolarHBondContact O-N 3.26Å; Q424-I427 PolarHBondContact O-N 2.84Å; L425-I427 VanDerWaalsContact C-N 3.35Å; L425-I427 PolarHBondContact O-N 2.83Å; I427-E429 VanDerWaalsContact C-N 3.29Å; I427-E429 PolarHBondContact O-N 3.04Å; I427-L430 PolarHBondContact O-N 2.82Å; I427-E431 HydrophobicContact CG2-CG 4.08Å; I427-E431 WeakPolarHBondContact O-CG 3.25Å; I427-E431 PolarHBondContact O-N 2.89Å |
| 428 | Q | 95.3 | Very high | 95.5 | Very high | 110 Ų | 110 | 92.9 Ų | 92.9 | 51% | 0.514 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.2 | -39.8 | 178.1 | -179 | 175.1 | 68 | 0 | 0 | 112.8 | Q424 L425 L432 | Q424-Q428 PolarHBondContact O-N 2.83Å; L425-Q428 PolarHBondContact O-N 2.99Å; Q428-L432 WeakPolarHBondContact O-CB 3.36Å; Q428-L432 PolarHBondContact O-N 3.01Å |
| 429 | E | 95.6 | Very high | 95 | Very high | 77 Ų | 77 | 91.8 Ų | 91.8 | 36% | 0.36 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 174.1 | -168 | -151.5 | 139.3 | 0 | 0 | 112.2 | L425 R426 I427 Q433 | L425-E429 WeakPolarHBondContact O-CB 3.44Å; L425-E429 PolarHBondContact O-N 2.94Å; R426-E429 WeakPolarHBondContact CD-OE2 3.47Å; R426-E429 IonicContact CZ-OE1 3.52Å; R426-E429 IonicContact CZ-OE2 3.49Å; R426-E429 IonicContact NE-OE2 3.75Å; R426-E429 IonicContact NH1-OE1 2.67Å; R426-E429 PolarHBondContact NH1-OE1 3.43Å; R426-E429 IonicContact NH1-OE2 4Å; R426-E429 PolarHBondContact NH1-OE2 2.86Å; R426-E429 IonicContact NH2-OE1 3.99Å; I427-E429 VanDerWaalsContact C-N 3.29Å; I427-E429 PolarHBondContact O-N 3.04Å; E429-Q433 VanDerWaalsContact O-CG 3.3Å; E429-Q433 WeakPolarHBondContact O-CG 3.29Å; E429-Q433 PolarHBondContact O-N 2.97Å; E429-Q433 PolarHBondContact OE1-NE2 2.76Å |
| 430 | L | 95.4 | Very high | 94 | Very high | 81 Ų | 81 | 95.7 Ų | 95.7 | 42% | 0.424 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.9 | -36.7 | 179.4 | -71.8 | 168.9 | 0 | 0 | 0 | 112.5 | R426 I427 Q433 A434 | R426-L430 HydrophobicContact CG-CD1 4.19Å; R426-L430 WeakPolarHBondContact O-CB 3.39Å; R426-L430 WeakPolarHBondContact O-CD1 3.19Å; R426-L430 VanDerWaalsContact O-CG 3.25Å; R426-L430 WeakPolarHBondContact O-CG 3.5Å; R426-L430 PolarHBondContact O-N 3.16Å; R426-L430 VanDerWaalsContact O-N 3.15Å; I427-L430 PolarHBondContact O-N 2.82Å; L430-Q433 PolarHBondContact O-N 2.93Å; L430-A434 WeakPolarHBondContact O-CB 3.16Å; L430-A434 PolarHBondContact O-N 3Å |
| 431 | E | 92.9 | Very high | 93 | Very high | 47 Ų | 47 | 94.1 Ų | 94.1 | 22% | 0.22 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 172.9 | -71 | 177.9 | 150.9 | 0 | 0 | 110.4 | I427 A434 Q435 V441 T444 | I427-E431 HydrophobicContact CG2-CG 4.08Å; I427-E431 WeakPolarHBondContact O-CG 3.25Å; I427-E431 PolarHBondContact O-N 2.89Å; E431-A434 PolarHBondContact O-N 3.31Å; E431-Q435 WeakPolarHBondContact O-CB 3.48Å; E431-Q435 PolarHBondContact O-N 3.19Å; E431-V441 HydrophobicContact CB-CG1 4.19Å; E431-V441 HydrophobicContact CG-CG1 3.94Å; E431-T444 WeakPolarHBondContact OE1-CG2 3.49Å; E431-T444 PolarHBondContact OE1-OG1 3.27Å |
| 432 | L | 93 | Very high | 91.9 | Very high | 96 Ų | 96 | 92.7 Ų | 92.7 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 175 | 178.3 | 61.4 | 0 | 0 | 0 | 112.3 | Q428 A434 Q435 I436 | Q428-L432 WeakPolarHBondContact O-CB 3.36Å; Q428-L432 PolarHBondContact O-N 3.01Å; L432-A434 PolarHBondContact O-N 2.9Å; L432-Q435 PolarHBondContact O-N 2.94Å; L432-I436 HydrophobicContact CD1-CD1 4.1Å; L432-I436 HydrophobicContact CD1-CG1 4.36Å; L432-I436 HydrophobicContact CG-CD1 3.98Å; L432-I436 VanDerWaalsContact O-CG1 3.31Å; L432-I436 WeakPolarHBondContact O-CG1 3.35Å; L432-I436 PolarHBondContact O-N 2.71Å |
| 433 | Q | 94.8 | Very high | 90.2 | Very high | 78 Ų | 78 | 94.8 Ų | 94.8 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 175.8 | -75.4 | 166.6 | 16.7 | 0 | 0 | 111.6 | E429 L430 Q435 I436 H437 | E429-Q433 VanDerWaalsContact O-CG 3.3Å; E429-Q433 WeakPolarHBondContact O-CG 3.29Å; E429-Q433 PolarHBondContact O-N 2.97Å; E429-Q433 PolarHBondContact OE1-NE2 2.76Å; L430-Q433 PolarHBondContact O-N 2.93Å; Q433-Q435 VanDerWaalsContact C-N 3.35Å; Q433-Q435 PolarHBondContact O-N 3.13Å; Q433-I436 PolarHBondContact O-N 2.91Å; Q433-H437 PolarHBondContact O-CD2 3.36Å; Q433-H437 PolarHBondContact O-N 3.15Å |
| 434 | A | 92.9 | Very high | 88.7 | Confident | 23 Ų | 23 | 92.7 Ų | 92.7 | 19% | 0.19 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L430 E431 L432 H437 G438 L439 V441 | L430-A434 WeakPolarHBondContact O-CB 3.16Å; L430-A434 PolarHBondContact O-N 3Å; E431-A434 PolarHBondContact O-N 3.31Å; L432-A434 PolarHBondContact O-N 2.9Å; A434-H437 CarbonylContact O-C 3.47Å; A434-H437 PolarHBondContact O-N 2.83Å; A434-G438 PolarHBondContact O-N 3.14Å; A434-L439 HydrophobicContact CB-CB 4.27Å; A434-L439 HydrophobicContact CB-CD1 4.33Å; A434-L439 WeakPolarHBondContact O-CB 3.42Å; A434-L439 PolarHBondContact O-N 3.45Å; A434-V441 HydrophobicContact CB-CG2 3.75Å |
| 435 | Q | 91.4 | Very high | 86.5 | Confident | 135 Ų | 135 | 95.8 Ų | 95.8 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.1 | -42 | 176.5 | -168.7 | 179.2 | 22.7 | 0 | 0 | 112.4 | E431 L432 Q433 H437 G438 | E431-Q435 WeakPolarHBondContact O-CB 3.48Å; E431-Q435 PolarHBondContact O-N 3.19Å; L432-Q435 PolarHBondContact O-N 2.94Å; Q433-Q435 VanDerWaalsContact C-N 3.35Å; Q433-Q435 PolarHBondContact O-N 3.13Å; Q435-H437 VanDerWaalsContact C-N 3.27Å; Q435-H437 PolarHBondContact O-N 2.96Å; Q435-G438 PolarHBondContact O-N 2.92Å |
| 436 | I | 92.6 | Very high | 84.7 | Confident | 125 Ų | 125 | 93.6 Ų | 93.6 | 64% | 0.641 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.2 | -36 | 174.6 | -69.5 | 164.8 | 0 | 0 | 0 | 111.2 | L432 Q433 G438 | L432-I436 HydrophobicContact CD1-CD1 4.1Å; L432-I436 HydrophobicContact CD1-CG1 4.36Å; L432-I436 HydrophobicContact CG-CD1 3.98Å; L432-I436 VanDerWaalsContact O-CG1 3.31Å; L432-I436 WeakPolarHBondContact O-CG1 3.35Å; L432-I436 PolarHBondContact O-N 2.71Å; Q433-I436 PolarHBondContact O-N 2.91Å; I436-G438 PolarHBondContact O-N 3.14Å |
| 437 | H | 93.9 | Very high | 82.6 | Confident | 154 Ų | 154 | 91.8 Ų | 91.8 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 8.7 | 173.2 | -71.8 | -59.9 | 0 | 0 | 0 | 114.4 | Q433 A434 Q435 | Q433-H437 PolarHBondContact O-CD2 3.36Å; Q433-H437 PolarHBondContact O-N 3.15Å; A434-H437 CarbonylContact O-C 3.47Å; A434-H437 PolarHBondContact O-N 2.83Å; Q435-H437 VanDerWaalsContact C-N 3.27Å; Q435-H437 PolarHBondContact O-N 2.96Å |
| 438 | G | 89.5 | Confident | 80.5 | Confident | 63 Ų | 63 | 94.6 Ų | 94.6 | 65% | 0.649 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 13.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A434 Q435 I436 | A434-G438 PolarHBondContact O-N 3.14Å; Q435-G438 PolarHBondContact O-N 2.92Å; I436-G438 PolarHBondContact O-N 3.14Å |
| 439 | L | 88.4 | Confident | 78.2 | Confident | 109 Ų | 109 | 94 Ų | 94 | 57% | 0.571 | 55% | 0.554 | S | S | * | * | trans | -84.6 | 127.6 | 175.2 | -59.4 | 177.8 | 0 | 0 | 0 | 110.1 | A434 V441 | A434-L439 HydrophobicContact CB-CB 4.27Å; A434-L439 HydrophobicContact CB-CD1 4.33Å; A434-L439 WeakPolarHBondContact O-CB 3.42Å; A434-L439 PolarHBondContact O-N 3.45Å; L439-V441 PolarHBondContact O-N 3.13Å | ||
| 440 | P | 78.3 | Confident | 76 | Confident | 126 Ų | 126 | 98.2 Ų | 98.2 | 82% | 0.818 | 58% | 0.579 | S | S | * | * | trans | -75.1 | 97.3 | 179.2 | 29.6 | -33.8 | 0 | 0 | 0 | 110.9 | ||||
| 441 | V | 77.4 | Confident | 73.5 | Confident | 56 Ų | 56 | 98.5 Ų | 98.5 | 34% | 0.339 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -80.5 | 122.6 | 169.8 | -177.6 | 0 | 0 | 0 | 0 | 109 | E431 A434 L439 | E431-V441 HydrophobicContact CB-CG1 4.19Å; E431-V441 HydrophobicContact CG-CG1 3.94Å; A434-V441 HydrophobicContact CB-CG2 3.75Å; L439-V441 PolarHBondContact O-N 3.13Å |
| 442 | P | 73.7 | Confident | 71.1 | Confident | 100 Ų | 100 | 101.5 Ų | 101.5 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 137.1 | 172.3 | 29.8 | -33.1 | 0 | 0 | 0 | 109.9 | T444 | P442-T444 PolarHBondContact O-N 3.13Š|
| 443 | P | 63.5 | Low | 68.7 | Low | 121 Ų | 121 | 103.1 Ų | 103.1 | 79% | 0.786 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -63 | 122.7 | -178.6 | 26 | -34.1 | 0 | 0 | 0 | 110.5 | P445 | P443-P445 VanDerWaalsContact O-CD 3.25Å; P443-P445 WeakPolarHBondContact O-CD 3.5Å |
| 444 | T | 66.3 | Low | 66.3 | Low | 65 Ų | 65 | 104.7 Ų | 104.7 | 40% | 0.399 | 65% | 0.648 | S | S | . | * | trans | -71.5 | 110.2 | -176.4 | 33 | 0 | 0 | 0 | 0 | 111.1 | E431 P442 G446 | E431-T444 WeakPolarHBondContact OE1-CG2 3.49Å; E431-T444 PolarHBondContact OE1-OG1 3.27Å; P442-T444 PolarHBondContact O-N 3.13Å; T444-G446 PolarHBondContact O-N 3.15Å | ||
| 445 | P | 51.8 | Low | 63.9 | Low | 138 Ų | 138 | 107.9 Ų | 107.9 | 90% | 0.896 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 93.2 | -171.8 | 31.1 | -33.9 | 0 | 0 | 0 | 111.1 | P443 | P443-P445 VanDerWaalsContact O-CD 3.25Å; P443-P445 WeakPolarHBondContact O-CD 3.5Å |
| 446 | G | 58.1 | Low | 61.3 | Low | 64 Ų | 64 | 107 Ų | 107 | 66% | 0.66 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.4 | -25.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | T444 L448 | T444-G446 PolarHBondContact O-N 3.15Å; G446-L448 PolarHBondContact O-N 3.39Å |
| 447 | L | 54.8 | Low | 58.5 | Low | 80 Ų | 80 | 107.9 Ų | 107.9 | 42% | 0.419 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -78 | -20.4 | -169.6 | -78.1 | 169.1 | 0 | 0 | 0 | 115.4 | Q424 | Q424-L447 HydrophobicContact CB-CD2 4.34Å; Q424-L447 HydrophobicContact CG-CD2 3.87Å |
| 448 | L | 51.7 | Low | 55.7 | Low | 138 Ų | 138 | 105 Ų | 105 | 72% | 0.723 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -81.9 | -14.3 | -176 | -62 | 178.9 | 0 | 0 | 0 | 114.5 | G446 L450 T452 | G446-L448 PolarHBondContact O-N 3.39Å; L448-L450 VanDerWaalsContact C-N 3.3Å; L448-L450 PolarHBondContact O-N 2.92Å; L448-T452 PolarHBondContact O-OG1 3.29Å |
| 449 | S | 45.9 | Very low | 53.1 | Low | 98 Ų | 98 | 110.1 Ų | 110.1 | 69% | 0.685 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -78.4 | -1.8 | -165.7 | -166.1 | 0 | 0 | 0 | 0 | 116 | ||
| 450 | L | 49.2 | Very low | 50.7 | Low | 166 Ų | 166 | 114.3 Ų | 114.3 | 87% | 0.869 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -110.1 | -4.5 | -176.1 | -167.6 | 56 | 0 | 0 | 0 | 113.8 | L448 | L448-L450 VanDerWaalsContact C-N 3.3Å; L448-L450 PolarHBondContact O-N 2.92Å |
| 451 | A | 44 | Very low | 48.7 | Very low | 86 Ų | 86 | 114.1 Ų | 114.1 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -105 | -10.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 452 | T | 43 | Very low | 46.6 | Very low | 110 Ų | 110 | 120.4 Ų | 120.4 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | trans | -134.7 | 64.9 | -167.9 | 42.6 | 0 | 0 | 0 | 0 | 113 | L448 | L448-T452 PolarHBondContact O-OG1 3.29Š| ||
| 453 | T | 41.7 | Very low | 44.5 | Very low | 130 Ų | 130 | 125 Ų | 125 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | trans | -119.9 | 45 | 167.8 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 454 | S | 45.2 | Very low | 43 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -157.3 | 38.5 | -177.9 | 65.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 455 | A | 41.6 | Very low | 41.2 | Very low | 90 Ų | 90 | 130.7 Ų | 130.7 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -163 | 142 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 456 | S | 37.1 | Very low | 40.5 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | 57.3 | 112.7 | 170.4 | -48.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 457 | D | 33.3 | Very low | 39.4 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | cis | 57.7 | 129.5 | 45.5 | -161.6 | 17 | 0 | 0 | 0 | 115.1 | ||||
| 458 | S | 34.8 | Very low | 38.4 | Very low | 93 Ų | 93 | 144 Ų | 144 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | trans | 35.6 | 118 | 164.3 | -66.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 459 | L | 34.9 | Very low | 37.4 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | -168.1 | 149.2 | 98.9 | -97.2 | 168.5 | 0 | 0 | 0 | 111.7 | |||||
| 460 | K | 38.7 | Very low | 36.7 | Very low | 196 Ų | 196 | 145.9 Ų | 145.9 | 85% | 0.852 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 142.6 | 168.6 | -65.1 | 176.4 | 179.2 | 176.6 | 0 | 110 | ||
| 461 | P | 35.8 | Very low | 36.1 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 142.2 | 147.6 | 29.2 | -19 | 0 | 0 | 0 | 110.6 | ||
| 462 | E | 32.6 | Very low | 36.3 | Very low | 189 Ų | 189 | 151 Ų | 151 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 157.7 | 164.7 | -69.5 | 170.7 | 77.4 | 0 | 0 | 110.7 | ||
| 463 | Q | 29.8 | Very low | 35.6 | Very low | 195 Ų | 195 | 149.5 Ų | 149.5 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | trans | -122.9 | 122.5 | 170.9 | -171.6 | 169.7 | -12.4 | 0 | 0 | 108.7 | ||||
| 464 | L | 33.1 | Very low | 35.1 | Very low | 156 Ų | 156 | 148 Ų | 148 | 82% | 0.817 | 83% | 0.832 | S | S | * | * | trans | -79.8 | 159.2 | -171.3 | -71.9 | 165.4 | 0 | 0 | 0 | 113.3 | ||||
| 465 | D | 28.6 | Very low | 34.4 | Very low | 151 Ų | 151 | 147 Ų | 147 | 81% | 0.807 | 83% | 0.83 | S | S | * | * | trans | -61 | 141.5 | 177.4 | -56.9 | -75.3 | 0 | 0 | 0 | 114 | ||||
| 466 | I | 37.1 | Very low | 33.8 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 89% | 0.892 | 83% | 0.828 | S | S | * | * | trans | -137 | 133.3 | 141.4 | -62.2 | -173.8 | 0 | 0 | 0 | 107.1 | ||||
| 467 | E | 34.1 | Very low | 33.4 | Very low | 186 Ų | 186 | 151.6 Ų | 151.6 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | trans | -85.3 | 148.9 | -177.5 | -58 | 177.1 | 97.5 | 0 | 0 | 113 | ||||
| 468 | E | 33.7 | Very low | 33.4 | Very low | 201 Ų | 201 | 152.7 Ų | 152.7 | 94% | 0.939 | 83% | 0.829 | S | S | * | * | trans | -143.9 | 159.2 | 141.1 | -143 | -168.5 | 128.5 | 0 | 0 | 110.5 | ||||
| 469 | E | 30.6 | Very low | 33.3 | Very low | 195 Ų | 195 | 155.2 Ų | 155.2 | 91% | 0.911 | 84% | 0.84 | S | S | * | * | trans | -103.8 | 136 | -155.8 | -169.6 | -176.2 | 158 | 0 | 0 | 113.2 | ||||
| 470 | G | 31.5 | Very low | 32.9 | Very low | 81 Ų | 81 | 150.6 Ų | 150.6 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | trans | -178.9 | 66.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 471 | R | 37.3 | Very low | 32.4 | Very low | 242 Ų | 242 | 145.3 Ų | 145.3 | 91% | 0.913 | 83% | 0.834 | S | S | * | * | trans | -92.3 | 171.4 | 174.6 | -98.9 | -171.9 | 163.5 | -173.7 | -2.2 | 112.5 | ||||
| 472 | P | 47.5 | Very low | 32 | Very low | 116 Ų | 116 | 143 Ų | 143 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | cis | -142.1 | 161.7 | -29.6 | 37.1 | -19.5 | 0 | 0 | 0 | 116.5 | ||||
| 473 | G | 29.6 | Very low | 32.8 | Very low | 79 Ų | 79 | 139.9 Ų | 139.9 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | trans | 82.6 | 170.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 474 | A | 30.5 | Very low | 33.1 | Very low | 99 Ų | 99 | 135 Ų | 135 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | cis | -163.4 | 160.3 | -13.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 475 | A | 29.3 | Very low | 33.3 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | 55.4 | 106.3 | 155 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 476 | T | 30.1 | Very low | 33.4 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 70% | 0.699 | 83% | 0.825 | S | S | * | * | 4.4 | 133.7 | 120.7 | -26.7 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 477 | F | 28.8 | Very low | 33.3 | Very low | 188 Ų | 188 | 132 Ų | 132 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | -179.3 | 169.8 | 111.1 | -107.2 | -77.6 | 0 | 0 | 0 | 115.6 | |||||
| 478 | H | 33.2 | Very low | 33.9 | Very low | 168 Ų | 168 | 127.8 Ų | 127.8 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | trans | -81.8 | 162.1 | -174.7 | -70.8 | -114.3 | 0 | 0 | 0 | 115 | ||||
| 479 | V | 31.4 | Very low | 33.9 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | 177.2 | 146.6 | 128.8 | 145.1 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 480 | G | 28.4 | Very low | 34.1 | Very low | 74 Ų | 74 | 124.8 Ų | 124.8 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | cis | 142.5 | 122.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 481 | G | 28 | Very low | 34 | Very low | 84 Ų | 84 | 129.7 Ų | 129.7 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | 152.9 | 120.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 482 | G | 26.5 | Very low | 34.5 | Very low | 74 Ų | 74 | 123.7 Ų | 123.7 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | -107.1 | -150.3 | 164 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 483 | P | 48.8 | Very low | 34.3 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | cis | -138.9 | 165.8 | 9.8 | 42.1 | -25.3 | 0 | 0 | 0 | 117.2 | ||||
| 484 | A | 37.8 | Very low | 34.5 | Very low | 92 Ų | 92 | 125.1 Ų | 125.1 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | 38.8 | 159.1 | 142.3 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 485 | Q | 36.5 | Very low | 35.5 | Very low | 181 Ų | 181 | 126.1 Ų | 126.1 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | cis | -138.7 | 166.9 | 16.9 | -58.5 | 165.2 | 38.1 | 0 | 0 | 107.6 | ||||
| 486 | N | 30.6 | Very low | 36.1 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | cis | -165.3 | 172.6 | 44.4 | -158.5 | 1.4 | 0 | 0 | 0 | 110.8 | ||||
| 487 | A | 34.1 | Very low | 36.4 | Very low | 82 Ų | 82 | 128.4 Ų | 128.4 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | -139.5 | -169.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 488 | P | 46.7 | Very low | 36.5 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 63% | 0.63 | 80% | 0.799 | S | S | * | * | cis | -117.2 | -162 | -12.7 | 44.2 | -30.6 | 0 | 0 | 0 | 111.5 | ||||
| 489 | H | 34.2 | Very low | 36.6 | Very low | 159 Ų | 159 | 124 Ų | 124 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | cis | -133.3 | 166.3 | 2.6 | -86.2 | -58.9 | 0 | 0 | 0 | 108.2 | ||||
| 490 | Q | 34.5 | Very low | 36.7 | Very low | 173 Ų | 173 | 125.2 Ų | 125.2 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | cis | 89.7 | 130 | 30.5 | -77.5 | 171.1 | -35.5 | 0 | 0 | 117.4 | ||||
| 491 | Q | 29.9 | Very low | 37.1 | Very low | 184 Ų | 184 | 129.3 Ų | 129.3 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -150.5 | 144.7 | 175.3 | 173.1 | -176.4 | -21.5 | 0 | 0 | 107.1 | ||||
| 492 | P | 48.3 | Very low | 37.2 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -90.9 | 160.6 | -168.1 | 34.6 | -36.3 | 0 | 0 | 0 | 116.1 | ||||
| 493 | P | 42.9 | Very low | 37.5 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -100.5 | -176.1 | -178.2 | 41.2 | -37.1 | 0 | 0 | 0 | 114.7 | ||||
| 494 | A | 34.9 | Very low | 36.7 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -97.3 | 153.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 495 | P | 50.5 | Low | 36.4 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -95.8 | 168.4 | 178 | 38.3 | -35.6 | 0 | 0 | 0 | 114.5 | ||||
| 496 | P | 42.1 | Very low | 36.5 | Very low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -93.7 | 178.5 | -175.4 | 38.7 | -37.3 | 0 | 0 | 0 | 115.1 | ||||
| 497 | S | 36 | Very low | 36.6 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -68.2 | 154.9 | -179.6 | -45.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 498 | D | 32 | Very low | 36.4 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -125.4 | 161.4 | 174.2 | -135.3 | -29.5 | 0 | 0 | 0 | 111.6 | ||||
| 499 | A | 34.5 | Very low | 36.2 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -90.1 | 159 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 500 | L | 34.7 | Very low | 36.1 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -123.8 | 149.4 | 168.8 | -162.7 | 140.1 | 0 | 0 | 0 | 110.6 | ||||
| 501 | L | 35.1 | Very low | 35.9 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -79.4 | 146.6 | -157 | -67.4 | 161.7 | 0 | 0 | 0 | 115.1 | ||||
| 502 | D | 30.7 | Very low | 36.2 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -81.3 | 133.4 | 166.2 | 177.3 | 27.7 | 0 | 0 | 0 | 110.7 | ||||
| 503 | L | 33.3 | Very low | 35.6 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -145.5 | 122 | 168.5 | -76.8 | -179.6 | 0 | 0 | 0 | 109.4 | ||||
| 504 | H | 31.9 | Very low | 35 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 64% | 0.644 | 79% | 0.794 | S | S | * | * | trans | -106.9 | -171.9 | -171.3 | -173.6 | 66.8 | 0 | 0 | 0 | 112.4 | ||||
| 505 | F | 31 | Very low | 35.1 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 77% | 0.772 | 80% | 0.798 | S | S | * | * | trans | 85.7 | 143.5 | 172.3 | -50.3 | -73.5 | 0 | 0 | 0 | 116.9 | ||||
| 506 | P | 39.1 | Very low | 34.6 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | -131.8 | 169 | -52.6 | 34.7 | -19.5 | 0 | 0 | 0 | 112.5 | |||||
| 507 | S | 33.3 | Very low | 33.9 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -91.4 | 134.5 | 172.9 | -169.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 508 | D | 29.2 | Very low | 33.9 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -118.9 | 163.1 | 172.9 | -114.8 | -31.7 | 0 | 0 | 0 | 112.3 | ||||
| 509 | H | 41.3 | Very low | 34 | Very low | 152 Ų | 152 | 143 Ų | 143 | 70% | 0.704 | 79% | 0.788 | S | S | * | * | trans | -143.8 | 97.7 | -147.6 | 54.5 | -72.3 | 0 | 0 | 0 | 114 | ||||
| 510 | L | 32.5 | Very low | 33.7 | Very low | 183 Ų | 183 | 141.3 Ų | 141.3 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | trans | -165.6 | 139.8 | 167.8 | -136.9 | 66.7 | 0 | 0 | 0 | 108.8 | ||||
| 511 | G | 30.7 | Very low | 33.6 | Very low | 67 Ų | 67 | 141 Ų | 141 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | cis | -170 | 157.9 | -6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 512 | D | 35.9 | Very low | 33.4 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -48.1 | 136.8 | 169.6 | 164.1 | 41.2 | 0 | 0 | 0 | 113.4 | ||||
| 513 | L | 36.8 | Very low | 33.3 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | -163.1 | 94.7 | 152.9 | -116.7 | 166.7 | 0 | 0 | 0 | 113.3 | ||||
| 514 | G | 29.9 | Very low | 33.2 | Very low | 56 Ų | 56 | 141.6 Ų | 141.6 | 58% | 0.577 | 78% | 0.776 | S | S | * | * | trans | 42.1 | 115.8 | 138.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | P516 | G514-P516 WeakPolarHBondContact O-CD 3.42Š| ||
| 515 | D | 35.7 | Very low | 33.2 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | -82.6 | 128.9 | 159 | 176 | 15.4 | 0 | 0 | 0 | 111.2 | ||||
| 516 | P | 41.7 | Very low | 33.2 | Very low | 88 Ų | 88 | 140.5 Ų | 140.5 | 57% | 0.571 | 78% | 0.779 | S | S | * | * | trans | -135.9 | 119.6 | 158 | 35.7 | -18.7 | 0 | 0 | 0 | 113 | G514 | G514-P516 WeakPolarHBondContact O-CD 3.42Š| ||
| 517 | F | 27.3 | Very low | 33 | Very low | 190 Ų | 190 | 142 Ų | 142 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | 167.9 | 108.6 | 104.8 | -85.9 | -62 | 0 | 0 | 0 | 111.2 | |||||
| 518 | H | 35.2 | Very low | 33.1 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | trans | -123.5 | 83.2 | 172.3 | -169.2 | 50.5 | 0 | 0 | 0 | 111.4 | ||||
| 519 | L | 34.3 | Very low | 33.6 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | trans | -151.4 | 147.2 | 166.5 | -64 | 176.2 | 0 | 0 | 0 | 105.7 | ||||
| 520 | G | 27.8 | Very low | 33.3 | Very low | 61 Ų | 61 | 145.8 Ų | 145.8 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | cis | 164.5 | 176 | 1.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 521 | L | 33.8 | Very low | 33.3 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | 71.1 | 126.6 | -174 | -46.2 | 170 | 0 | 0 | 0 | 112.6 | ||||
| 522 | E | 30.3 | Very low | 33.6 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | cis | 81.2 | 114 | 39.6 | -62.1 | -159.6 | 136.4 | 0 | 0 | 115.6 | ||||
| 523 | D | 28.6 | Very low | 33.6 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | 43.5 | 101.8 | 143.9 | -149.8 | 24.8 | 0 | 0 | 0 | 120.2 | ||||
| 524 | I | 31.9 | Very low | 33.4 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -135 | 112.6 | 154.7 | -59.9 | -177.7 | 0 | 0 | 0 | 108.9 | ||||
| 525 | L | 30 | Very low | 33.5 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | trans | -98.3 | -177.9 | 161.8 | -77.2 | 169 | 0 | 0 | 0 | 110 | ||||
| 526 | M | 31.3 | Very low | 33.5 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | 80.8 | 141.1 | 176.8 | -52.4 | 164.4 | 68.7 | 0 | 0 | 114.6 | ||||
| 527 | E | 34.8 | Very low | 33.3 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 66% | 0.659 | 78% | 0.78 | S | S | * | * | cis | -161.8 | 160.6 | -8.8 | -118.3 | 155.6 | -161.2 | 0 | 0 | 111.3 | ||||
| 528 | E | 35.1 | Very low | 33.6 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 30.6 | 159 | 146.2 | -64.8 | 173.9 | 167 | 0 | 0 | 122.8 | ||||
| 529 | E | 40.7 | Very low | 33.3 | Very low | 174 Ų | 174 | 129.1 Ų | 129.1 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | cis | -151.1 | 172.5 | 9.2 | -141.3 | -162.2 | 178.4 | 0 | 0 | 107.6 | ||||
| 530 | E | 36 | Very low | 33.3 | Very low | 140 Ų | 140 | 125.5 Ų | 125.5 | 65% | 0.654 | 77% | 0.771 | S | S | * | * | cis | -138.7 | -107.8 | -4.4 | -171.2 | -123.2 | -140.7 | 0 | 0 | 108.4 | V532 | E530-V532 VanDerWaalsContact CD-CG2 3.44Å; E530-V532 HydrophobicContact CG-CG2 4.13Å; E530-V532 VanDerWaalsContact OE1-CG2 3.31Å; E530-V532 WeakPolarHBondContact OE1-CG2 3.33Å; E530-V532 WeakPolarHBondContact OE2-CB 3.42Å; E530-V532 PolarHBondContact OE2-N 3.14Å | ||
| 531 | G | 31.5 | Very low | 33.6 | Very low | 70 Ų | 70 | 130.8 Ų | 130.8 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 115.3 | 17.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 532 | V | 36.6 | Very low | 33.6 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 65% | 0.648 | 78% | 0.78 | S | S | * | * | trans | -46.6 | 133.4 | -173.2 | 162.5 | 0 | 0 | 0 | 0 | 113.7 | E530 | E530-V532 VanDerWaalsContact CD-CG2 3.44Å; E530-V532 HydrophobicContact CG-CG2 4.13Å; E530-V532 VanDerWaalsContact OE1-CG2 3.31Å; E530-V532 WeakPolarHBondContact OE1-CG2 3.33Å; E530-V532 WeakPolarHBondContact OE2-CB 3.42Å; E530-V532 PolarHBondContact OE2-N 3.14Å | ||
| 533 | V | 37.1 | Very low | 34.5 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | cis | -143 | 158.8 | 45.5 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 534 | G | 32.6 | Very low | 34.7 | Very low | 74 Ų | 74 | 125.9 Ų | 125.9 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | cis | 115 | 145.8 | 14.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 535 | G | 30.6 | Very low | 34.6 | Very low | 71 Ų | 71 | 129 Ų | 129 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | cis | -177.1 | -170.3 | -4.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 536 | L | 36.7 | Very low | 34.8 | Very low | 180 Ų | 180 | 127 Ų | 127 | 94% | 0.942 | 78% | 0.782 | S | S | * | * | trans | 74.2 | 141 | 174.4 | -46.2 | -179.4 | 0 | 0 | 0 | 117.5 | ||||
| 537 | S | 36.6 | Very low | 34.8 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | cis | -168.9 | 138.9 | -19.9 | -174.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 538 | G | 33.3 | Very low | 34.8 | Very low | 81 Ų | 81 | 122.8 Ų | 122.8 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | 73.8 | 158.5 | 160 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 539 | G | 30.7 | Very low | 34.8 | Very low | 76 Ų | 76 | 120.7 Ų | 120.7 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | cis | 169.2 | 79.6 | -6.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 540 | A | 33.8 | Very low | 35.2 | Very low | 96 Ų | 96 | 118.1 Ų | 118.1 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | trans | 61.7 | 154 | 149.5 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 541 | L | 34.6 | Very low | 35.5 | Very low | 172 Ų | 172 | 118.5 Ų | 118.5 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | 82.8 | 123.8 | 159.4 | -50.3 | -173.3 | 0 | 0 | 0 | 121.8 | ||||
| 542 | S | 32 | Very low | 35.7 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -85 | -178.6 | 162.8 | -27.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 543 | P | 50 | Low | 35.3 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | cis | -157 | 174.4 | 46.1 | 44.3 | -21.6 | 0 | 0 | 0 | 120.4 | ||||
| 544 | L | 32.3 | Very low | 35.1 | Very low | 156 Ų | 156 | 121.3 Ų | 121.3 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | 40.9 | 121.9 | 143 | -67.8 | 166.1 | 0 | 0 | 0 | 122.6 | ||||
| 545 | R | 31.1 | Very low | 35 | Very low | 233 Ų | 233 | 124.5 Ų | 124.5 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | -177.9 | 145.1 | 113.2 | -107.3 | -179.2 | -178.8 | 84.4 | -2.4 | 115.1 | |||||
| 546 | A | 33.6 | Very low | 35.2 | Very low | 96 Ų | 96 | 126.2 Ų | 126.2 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | 51.6 | 161.9 | 140 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 547 | A | 31.4 | Very low | 35.7 | Very low | 83 Ų | 83 | 123.1 Ų | 123.1 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | cis | -176.4 | 169 | -31.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 548 | S | 34.5 | Very low | 35.5 | Very low | 121 Ų | 121 | 122 Ų | 122 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | 58.7 | 116.9 | 162.8 | 51.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 549 | D | 35.8 | Very low | 35.4 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | trans | -86.4 | 150.3 | 159.9 | 169.7 | 50.7 | 0 | 0 | 0 | 111.2 | ||||
| 550 | P | 48.8 | Very low | 35.5 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -135.3 | 122.2 | 156.4 | 35.2 | -19.2 | 0 | 0 | 0 | 115 | ||||
| 551 | L | 41.6 | Very low | 35.6 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | -83.3 | 126.3 | 171.9 | -61.4 | 172 | 0 | 0 | 0 | 113.4 | ||||
| 552 | L | 36.2 | Very low | 35.4 | Very low | 169 Ų | 169 | 126.8 Ų | 126.8 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | -156.5 | 114.8 | 146.9 | -75 | -171.6 | 0 | 0 | 0 | 107.6 | ||||
| 553 | S | 28.6 | Very low | 35.6 | Very low | 100 Ų | 100 | 127 Ų | 127 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | 82.4 | 117.4 | 71.6 | -167 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 554 | S | 32.4 | Very low | 34.8 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | 54.3 | 109.7 | 147.3 | 60.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 555 | V | 30.8 | Very low | 35.1 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | -167.6 | 147 | 116.8 | 134.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 556 | S | 35.3 | Very low | 35.5 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -136.2 | 152.9 | 159.9 | -79.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 557 | P | 47 | Very low | 35.6 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | -158.5 | 174.8 | 55.8 | 44 | -22.9 | 0 | 0 | 0 | 119.7 | |||||
| 558 | A | 30.8 | Very low | 36.1 | Very low | 91 Ų | 91 | 129 Ų | 129 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | 65.7 | 163 | 137.9 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 559 | V | 32.4 | Very low | 36.1 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | 95.2 | 102.6 | 175.8 | -176.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 560 | S | 31.6 | Very low | 36.2 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | 81 | 105.4 | 39.7 | -51.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 561 | K | 36.1 | Very low | 36.4 | Very low | 209 Ų | 209 | 130.5 Ų | 130.5 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -172.5 | 154.5 | 153.5 | -102.1 | 160.6 | -174.5 | 174.2 | 0 | 108.8 | ||||
| 562 | A | 31.4 | Very low | 36.6 | Very low | 85 Ų | 85 | 130.6 Ų | 130.6 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | cis | -178.6 | 139.9 | -43.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 563 | S | 35.5 | Very low | 37.1 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | 67.3 | 161.3 | 161.6 | -113.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 564 | S | 34.2 | Very low | 37.9 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | cis | -152.6 | 177.8 | -2 | -142.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 565 | R | 38.8 | Very low | 38.6 | Very low | 226 Ų | 226 | 138.9 Ų | 138.9 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -46 | 173 | 174.7 | -49.7 | 157 | 169.8 | -161.2 | -7 | 114.7 | ||||
| 566 | R | 39.6 | Very low | 39 | Very low | 211 Ų | 211 | 138.7 Ų | 138.7 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | cis | -173.6 | 170.1 | 25.5 | -158.6 | 179.2 | 174.7 | -92.9 | 8.3 | 111.9 | ||||
| 567 | S | 34.5 | Very low | 39.2 | Very low | 80 Ų | 80 | 140.4 Ų | 140.4 | 56% | 0.559 | 78% | 0.782 | S | S | * | * | trans | 69.4 | 148.1 | 159.8 | -100.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 568 | S | 42.7 | Very low | 38.8 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | cis | 85.4 | 90.9 | 6.5 | -39.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 569 | F | 33.2 | Very low | 39.3 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | -177.9 | 145 | 144.1 | -142.8 | -120.8 | 0 | 0 | 0 | 106.1 | M571 | F569-M571 HydrophobicContact CD1-CG 3.98Å; F569-M571 HydrophobicContact CE1-CG 3.68Å; F569-M571 HydrophobicContact CE1-SD 4.31Å | ||
| 570 | S | 38.7 | Very low | 39.7 | Very low | 93 Ų | 93 | 145.9 Ų | 145.9 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | cis | 83.1 | 158.6 | 37.3 | -147.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 571 | M | 53.9 | Low | 40.2 | Very low | 134 Ų | 134 | 148.7 Ų | 148.7 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | 88.5 | 131.3 | -161.8 | -54.1 | -167 | 73.9 | 0 | 0 | 113 | F569 | F569-M571 HydrophobicContact CD1-CG 3.98Å; F569-M571 HydrophobicContact CE1-CG 3.68Å; F569-M571 HydrophobicContact CE1-SD 4.31Å | ||
| 572 | E | 44.2 | Very low | 40.5 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | cis | 70.7 | 143.3 | 28.9 | 106.4 | -154.7 | 68.4 | 0 | 0 | 112.7 | ||||
| 573 | E | 48.2 | Very low | 41.2 | Very low | 176 Ų | 176 | 148.9 Ų | 148.9 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | cis | -157.8 | 173.6 | -20.7 | -177.8 | 160.4 | 90.6 | 0 | 0 | 106.3 | ||||
| 574 | E | 44.7 | Very low | 41.7 | Very low | 171 Ų | 171 | 151.4 Ų | 151.4 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | 59.1 | 111.1 | 161.1 | -160.5 | 161.8 | 121.8 | 0 | 0 | 121.4 | ||||
| 575 | S | 47.8 | Very low | 42.4 | Very low | 197 Ų | 197 | 156.6 Ų | 156.6 | 100% | 1.378 | 80% | 0.796 | S | S | * | * | -163.4 | 0 | 128.5 | -73.6 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 575 of 575 residues in 120 ms
(Link to these results)