| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.7 | Very low | 40.3 | Very low | 251 Ų | 251 | 145.6 Ų | 145.6 | 100% | 1.236 | 84% | 0.836 | S | S | * | * | 0 | 99.6 | 0 | -77 | 177.8 | 166.1 | 0 | 0 | 108.4 | |||||
| 2 | A | 39.3 | Very low | 40.4 | Very low | 102 Ų | 102 | 140.8 Ų | 140.8 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | -173 | 106.9 | 150.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 3 | T | 38.5 | Very low | 40.2 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 86% | 0.859 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 137.6 | -171.9 | 31.1 | 0 | 0 | 0 | 0 | 112 | ||
| 4 | V | 38.8 | Very low | 40 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 83% | 0.83 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 130.6 | 165.9 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | ||
| 5 | P | 48.2 | Very low | 39.9 | Very low | 120 Ų | 120 | 147.4 Ų | 147.4 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 120.8 | 167.2 | 31.1 | -24 | 0 | 0 | 0 | 110.5 | ||
| 6 | D | 36.7 | Very low | 39.7 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 73% | 0.733 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 135.6 | 160.1 | -179.4 | 21.8 | 0 | 0 | 0 | 112.4 | ||
| 7 | L | 37.4 | Very low | 39.7 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | trans | -158.2 | 99.4 | 158.2 | -91.5 | 176.6 | 0 | 0 | 0 | 109.1 | ||||
| 8 | Q | 39.9 | Very low | 39.9 | Very low | 165 Ų | 165 | 150.4 Ų | 150.4 | 77% | 0.771 | 83% | 0.831 | S | S | * | * | trans | -93.6 | -177.5 | 151.1 | -61.4 | -157.9 | -74.8 | 0 | 0 | 109.9 | ||||
| 9 | P | 47.5 | Very low | 40.1 | Very low | 100 Ų | 100 | 152.1 Ų | 152.1 | 65% | 0.649 | 83% | 0.832 | S | S | * | * | -129.7 | -174.5 | -73.4 | 38.6 | -21.3 | 0 | 0 | 0 | 111.7 | |||||
| 10 | L | 31.9 | Very low | 39.9 | Very low | 161 Ų | 161 | 153 Ų | 153 | 84% | 0.843 | 84% | 0.836 | S | S | * | * | trans | 123.4 | 153.9 | 157.9 | -67.6 | 171.1 | 0 | 0 | 0 | 113.9 | ||||
| 11 | P | 39.9 | Very low | 39.8 | Very low | 114 Ų | 114 | 153.8 Ų | 153.8 | 74% | 0.74 | 83% | 0.834 | S | S | * | * | cis | -123.6 | 169 | -4.3 | 33 | -14.1 | 0 | 0 | 0 | 114.4 | ||||
| 12 | A | 41.6 | Very low | 39.5 | Very low | 87 Ų | 87 | 150 Ų | 150 | 72% | 0.719 | 82% | 0.818 | S | S | * | * | trans | -65.1 | 135 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 13 | L | 37.7 | Very low | 39.1 | Very low | 172 Ų | 172 | 151.8 Ų | 151.8 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | -132.9 | 109.6 | 153 | -137.2 | 98.4 | 0 | 0 | 0 | 106.8 | ||||
| 14 | E | 37.9 | Very low | 38.9 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -71.4 | 172.8 | 171.5 | -65.8 | 171.4 | 115.1 | 0 | 0 | 110.7 | ||||
| 15 | Q | 37.9 | Very low | 38.7 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | 98.1 | 128.6 | 178.7 | -55.9 | 179.7 | -14.5 | 0 | 0 | 114.4 | ||||
| 16 | D | 36.4 | Very low | 38 | Very low | 130 Ų | 130 | 155.5 Ų | 155.5 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | cis | -177.7 | 106.1 | -9.6 | -96.8 | -38.2 | 0 | 0 | 0 | 103.1 | ||||
| 17 | L | 40.6 | Very low | 38 | Very low | 182 Ų | 182 | 155.4 Ų | 155.4 | 95% | 0.953 | 81% | 0.813 | S | S | * | * | trans | -162.3 | 60.1 | 164.3 | -76.7 | -170 | 0 | 0 | 0 | 109.8 | ||||
| 18 | E | 43 | Very low | 38.3 | Very low | 184 Ų | 184 | 155.7 Ų | 155.7 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -122.8 | 112.4 | 159.2 | -72.4 | -171.5 | 134.1 | 0 | 0 | 107.3 | ||||
| 19 | Q | 44 | Very low | 38.7 | Very low | 182 Ų | 182 | 156.6 Ų | 156.6 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | 176.4 | 89.4 | 151.3 | -98.1 | 160.4 | 35 | 0 | 0 | 109.3 | ||||
| 20 | D | 35.8 | Very low | 38 | Very low | 170 Ų | 170 | 159.5 Ų | 159.5 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -145.6 | 58.5 | 150 | -93.8 | -36.9 | 0 | 0 | 0 | 107.1 | I22 | D20-I22 PolarHBondContact O-N 3.3Š| ||
| 21 | E | 38.3 | Very low | 37.9 | Very low | 170 Ų | 170 | 161.7 Ų | 161.7 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | -74 | 108.1 | 164.9 | -74.2 | -167.1 | 132 | 0 | 0 | 108.9 | L23 | E21-L23 VanDerWaalsContact C-N 3.26Å; E21-L23 PolarHBondContact O-N 3.17Å | ||
| 22 | I | 38.8 | Very low | 37.9 | Very low | 173 Ų | 173 | 167.4 Ų | 167.4 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | -76.2 | 85.2 | 167.2 | -61.9 | 174 | 0 | 0 | 0 | 107.7 | D20 | D20-I22 PolarHBondContact O-N 3.3Š| ||
| 23 | L | 31.1 | Very low | 38 | Very low | 138 Ų | 138 | 170.6 Ų | 170.6 | 72% | 0.723 | 84% | 0.838 | S | S | * | * | trans | -96 | 97 | 173.8 | -170.5 | 91.6 | 0 | 0 | 0 | 109.4 | E21 | E21-L23 VanDerWaalsContact C-N 3.26Å; E21-L23 PolarHBondContact O-N 3.17Å | ||
| 24 | I | 33.8 | Very low | 38.1 | Very low | 149 Ų | 149 | 171.4 Ų | 171.4 | 76% | 0.764 | 84% | 0.838 | S | S | * | * | trans | -143.4 | 73.5 | 153.2 | -49 | 179.9 | 0 | 0 | 0 | 109.6 | ||||
| 25 | V | 34.5 | Very low | 38.4 | Very low | 136 Ų | 136 | 171.6 Ų | 171.6 | 82% | 0.824 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -138.3 | 94.6 | 139.8 | -179.6 | 0 | 0 | 0 | 0 | 106.2 | ||
| 26 | K | 32.7 | Very low | 38.4 | Very low | 191 Ų | 191 | 170.2 Ų | 170.2 | 83% | 0.83 | 83% | 0.832 | S | S | * | * | trans | 169.4 | 90.9 | 153.2 | -97 | 170.5 | 178 | -170 | 0 | 106.8 | ||||
| 27 | V | 37.1 | Very low | 38.5 | Very low | 135 Ų | 135 | 169.3 Ų | 169.3 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -115.9 | 82.6 | 160.5 | -177.2 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 28 | E | 43.9 | Very low | 38.4 | Very low | 180 Ų | 180 | 165.3 Ų | 165.3 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -172.5 | 130.6 | 154.5 | -105.3 | 167.7 | -174.7 | 0 | 0 | 106.6 | ||
| 29 | E | 47.7 | Very low | 38.3 | Very low | 184 Ų | 184 | 162.3 Ų | 162.3 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 78.5 | 82.4 | 177.8 | -53.1 | -165.9 | 139 | 0 | 0 | 116.6 | ||
| 30 | D | 32.7 | Very low | 38.3 | Very low | 162 Ų | 162 | 162.6 Ų | 162.6 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | 168.3 | 94.1 | 121 | -84.3 | -26.4 | 0 | 0 | 0 | 109.6 | |||||
| 31 | F | 30.6 | Very low | 38.6 | Very low | 206 Ų | 206 | 159.1 Ų | 159.1 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | trans | -126.8 | 88.8 | 160.6 | -145.7 | -96.1 | 0 | 0 | 0 | 108.2 | ||||
| 32 | R | 39.1 | Very low | 39.1 | Very low | 234 Ų | 234 | 159.3 Ų | 159.3 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -86.3 | 130.8 | 168.1 | -147.2 | 175.2 | -173.1 | 165.4 | 0.9 | 107.2 | ||||
| 33 | L | 45.5 | Very low | 39.8 | Very low | 154 Ų | 154 | 158 Ų | 158 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -40.5 | 125.8 | 178.8 | -61.4 | 158.6 | 0 | 0 | 0 | 113.2 | ||||
| 34 | E | 39.5 | Very low | 41.5 | Very low | 190 Ų | 190 | 154.2 Ų | 154.2 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -126 | 127.1 | 154 | -74.5 | -79.5 | 143.8 | 0 | 0 | 106.7 | ||||
| 35 | E | 44.4 | Very low | 43.4 | Very low | 177 Ų | 177 | 150.2 Ų | 150.2 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | -85.3 | 140.8 | -168.4 | -71.7 | -177.7 | 127.2 | 0 | 0 | 112.8 | ||||
| 36 | E | 37.3 | Very low | 45.3 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | trans | 73.5 | 144.9 | 152.2 | -63.1 | -58.4 | 128.8 | 0 | 0 | 120.4 | S38 | E36-S38 PolarHBondContact OE2-N 3.17Å; E36-S38 PolarHBondContact OE2-OG 3.25Å | ||
| 37 | P | 38.5 | Very low | 47.3 | Very low | 111 Ų | 111 | 138 Ų | 138 | 72% | 0.721 | 71% | 0.711 | S | S | * | * | cis | -121.9 | 130.7 | 30.2 | 36.1 | -19.6 | 0 | 0 | 0 | 116.4 | V39 | P37-V39 PolarHBondContact O-N 3.16Š| ||
| 38 | S | 39.3 | Very low | 49.3 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 69% | 0.685 | 69% | 0.689 | S | S | * | * | trans | 8 | 81.6 | 142.6 | 41.3 | 0 | 0 | 0 | 0 | 117.9 | E36 | E36-S38 PolarHBondContact OE2-N 3.17Å; E36-S38 PolarHBondContact OE2-OG 3.25Å | ||
| 39 | V | 40.7 | Very low | 51.1 | Low | 122 Ų | 122 | 127 Ų | 127 | 74% | 0.739 | 65% | 0.654 | S | S | * | * | trans | -118.5 | 116.9 | 139.3 | 177.7 | 0 | 0 | 0 | 0 | 104.5 | P37 S41 | P37-V39 PolarHBondContact O-N 3.16Å; V39-S41 PolarHBondContact O-N 3.03Å | ||
| 40 | E | 42.8 | Very low | 52.8 | Low | 187 Ų | 187 | 118.4 Ų | 118.4 | 87% | 0.874 | 61% | 0.614 | S | S | * | * | trans | -62.3 | 79.4 | 172.6 | -66.7 | -174.4 | 141.2 | 0 | 0 | 109 | E42 | E40-E42 VanDerWaalsContact C-N 3.3Å; E40-E42 PolarHBondContact O-N 2.84Å | ||
| 41 | S | 42.6 | Very low | 54.9 | Low | 98 Ų | 98 | 114.5 Ų | 114.5 | 69% | 0.685 | 59% | 0.59 | S | S | * | * | trans | -81.2 | 89.2 | 161.1 | 62.1 | 0 | 0 | 0 | 0 | 106 | V39 D43 | V39-S41 PolarHBondContact O-N 3.03Å; S41-D43 PolarHBondContact O-N 3.31Å | ||
| 42 | E | 48.3 | Very low | 57.3 | Low | 174 Ų | 174 | 108.6 Ų | 108.6 | 81% | 0.813 | 57% | 0.568 | S | S | * | * | trans | -48.3 | 105.6 | 164 | -67 | -94.9 | 110.4 | 0 | 0 | 107.7 | E40 | E40-E42 VanDerWaalsContact C-N 3.3Å; E40-E42 PolarHBondContact O-N 2.84Å | ||
| 43 | D | 53.5 | Low | 59.4 | Low | 144 Ų | 144 | 98.9 Ų | 98.9 | 77% | 0.77 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 128.1 | 174.1 | -99.5 | -36 | 0 | 0 | 0 | 107.7 | S41 S45 | S41-D43 PolarHBondContact O-N 3.31Å; D43-S45 PolarHBondContact O-N 3.17Å; D43-S45 VanDerWaalsContact O-N 3.13Å |
| 44 | P | 66.4 | Low | 61 | Low | 60 Ų | 60 | 94.7 Ų | 94.7 | 39% | 0.39 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -57 | 127.3 | -176.7 | -17.8 | 26 | 0 | 0 | 0 | 109.6 | T48 F49 | P44-T48 HydrophobicContact CB-CG2 4.1Å; P44-F49 HydrophobicContact CB-CE2 3.78Å; P44-F49 HydrophobicContact CB-CZ 3.8Å; P44-F49 HydrophobicContact CG-CE2 4.21Å; P44-F49 HydrophobicContact CG-CZ 3.82Å; P44-F49 VanDerWaalsContact O-CE2 3.23Å; P44-F49 WeakPolarHBondContact O-CE2 3.44Å |
| 45 | S | 74.3 | Confident | 62.9 | Low | 65 Ų | 65 | 92 Ų | 92 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -49.2 | 145.1 | 177.2 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | D43 E47 T48 | D43-S45 PolarHBondContact O-N 3.17Å; D43-S45 VanDerWaalsContact O-N 3.13Å; S45-E47 PolarHBondContact O-N 3.19Å; S45-E47 PolarHBondContact OG-N 2.85Å; S45-T48 WeakPolarHBondContact O-CA 3.24Å; S45-T48 WeakPolarHBondContact O-CB 3.45Å; S45-T48 PolarHBondContact O-N 3.36Å; S45-T48 PolarHBondContact O-OG1 2.72Å |
| 46 | P | 74.1 | Confident | 64.6 | Low | 43 Ų | 43 | 85.5 Ų | 85.5 | 28% | 0.279 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -49.6 | -28.3 | 174.5 | -28.7 | 35.5 | 0 | 0 | 0 | 114.1 | F49 R50 | P46-F49 PolarHBondContact O-N 3.13Å; P46-R50 PolarHBondContact O-N 2.83Å; P46-R50 VanDerWaalsContact O-N 3.07Å |
| 47 | E | 74.9 | Confident | 66.3 | Low | 28 Ų | 28 | 83 Ų | 83 | 13% | 0.131 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -69.6 | -32 | 175.8 | -172.6 | 56.3 | -146.3 | 0 | 0 | 112.6 | S45 F49 R50 Q51 | S45-E47 PolarHBondContact O-N 3.19Å; S45-E47 PolarHBondContact OG-N 2.85Å; E47-F49 VanDerWaalsContact C-N 3.32Å; E47-F49 PolarHBondContact O-N 3.23Å; E47-R50 WeakPolarHBondContact O-CB 3.21Å; E47-R50 PolarHBondContact O-N 3.35Å; E47-R50 WeakPolarHBondContact OE2-CD 3.27Å; E47-R50 IonicContact OE2-CZ 2.74Å; E47-R50 IonicContact OE2-NE 3.55Å; E47-R50 IonicContact OE2-NH1 3.99Å; E47-R50 PolarHBondContact OE2-NH1 3.08Å; E47-R50 VanDerWaalsContact OE2-NH1 3.12Å; E47-Q51 WeakPolarHBondContact O-CG 2.93Å; E47-Q51 PolarHBondContact O-N 3.48Å |
| 48 | T | 79.9 | Confident | 67.7 | Low | 60 Ų | 60 | 83.1 Ų | 83.1 | 37% | 0.368 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 172.8 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | P44 S45 Q51 L52 | P44-T48 HydrophobicContact CB-CG2 4.1Å; S45-T48 WeakPolarHBondContact O-CA 3.24Å; S45-T48 WeakPolarHBondContact O-CB 3.45Å; S45-T48 PolarHBondContact O-N 3.36Å; S45-T48 PolarHBondContact O-OG1 2.72Å; T48-Q51 PolarHBondContact O-N 3.05Å; T48-L52 HydrophobicContact CG2-CD1 4.45Å; T48-L52 VanDerWaalsContact O-CG 3.32Å; T48-L52 WeakPolarHBondContact O-CG 3.3Å; T48-L52 PolarHBondContact O-N 3.26Å |
| 49 | F | 82.1 | Confident | 69.3 | Low | 23 Ų | 23 | 84.2 Ų | 84.2 | 10% | 0.101 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -69.3 | -35.4 | 176.2 | -65 | -67.3 | 0 | 0 | 0 | 112.5 | P44 P46 E47 Q51 L52 F53 L74 R77 W78 | P44-F49 HydrophobicContact CB-CE2 3.78Å; P44-F49 HydrophobicContact CB-CZ 3.8Å; P44-F49 HydrophobicContact CG-CE2 4.21Å; P44-F49 HydrophobicContact CG-CZ 3.82Å; P44-F49 VanDerWaalsContact O-CE2 3.23Å; P44-F49 WeakPolarHBondContact O-CE2 3.44Å; P46-F49 PolarHBondContact O-N 3.13Å; E47-F49 VanDerWaalsContact C-N 3.32Å; E47-F49 PolarHBondContact O-N 3.23Å; F49-Q51 VanDerWaalsContact C-N 3.34Å; F49-Q51 PolarHBondContact O-N 3.08Å; F49-L52 HydrophobicContact CD1-CD1 4.29Å; F49-L52 PolarHBondContact O-N 3.14Å; F49-F53 WeakPolarHBondContact O-CB 3.45Å; F49-F53 PolarHBondContact O-N 3.17Å; F49-L74 HydrophobicContact CD1-CD2 4.02Å; F49-R77 HydrophobicContact CB-CB 4.29Å; F49-R77 HydrophobicContact CD1-CB 3.91Å; F49-R77 HydrophobicContact CD2-CB 3.73Å; F49-R77 HydrophobicContact CE1-CB 4.16Å; F49-R77 VanDerWaalsContact CE1-CD 3.42Å; F49-R77 HydrophobicContact CE1-CG 4.45Å; F49-R77 HydrophobicContact CE2-CB 3.97Å; F49-R77 HydrophobicContact CG-CB 3.7Å; F49-R77 HydrophobicContact CZ-CB 4.19Å; F49-R77 VanDerWaalsContact CZ-CD 3.44Å; F49-R77 HydrophobicContact CZ-CG 4.44Å; F49-W78 HydrophobicContact CB-CB 3.97Å |
| 50 | R | 81.4 | Confident | 69.7 | Low | 4 Ų | 4 | 86 Ų | 86 | 2% | 0.015 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 171.6 | -167.9 | -177.5 | -172.6 | -175.4 | -4.2 | 112.2 | P46 E47 F53 R54 W78 E96 P115 | P46-R50 PolarHBondContact O-N 2.83Å; P46-R50 VanDerWaalsContact O-N 3.07Å; E47-R50 WeakPolarHBondContact O-CB 3.21Å; E47-R50 PolarHBondContact O-N 3.35Å; E47-R50 WeakPolarHBondContact OE2-CD 3.27Å; E47-R50 IonicContact OE2-CZ 2.74Å; E47-R50 IonicContact OE2-NE 3.55Å; E47-R50 IonicContact OE2-NH1 3.99Å; E47-R50 PolarHBondContact OE2-NH1 3.08Å; E47-R50 VanDerWaalsContact OE2-NH1 3.12Å; R50-F53 WeakPolarHBondContact O-CB 3.19Å; R50-F53 PolarHBondContact O-N 2.97Å; R50-R54 WeakPolarHBondContact O-CG 3.43Å; R50-R54 PolarHBondContact O-N 3.41Å; R50-R54 VanDerWaalsContact O-N 3.1Å; R50-W78 HydrophobicContact CB-CD2 4.25Å; R50-W78 HydrophobicContact CB-CG 3.97Å; R50-W78 HydrophobicContact CG-CD2 4.15Å; R50-W78 HydrophobicContact CG-CG 4.37Å; R50-W78 HydrophobicContact CG-CZ2 3.97Å; R50-E96 IonicContact CZ-OE1 3.12Å; R50-E96 IonicContact NE-OE1 3.4Å; R50-E96 PolarHBondContact NE-OE1 3.1Å; R50-E96 IonicContact NH2-OE1 2.81Å; R50-E96 PolarHBondContact NH2-OE1 2.84Å; R50-P115 PolarHBondContact NH1-O 3.37Å; R50-P115 PolarHBondContact NH2-O 3.21Å |
| 51 | Q | 78.6 | Confident | 70.4 | Confident | 80 Ų | 80 | 83.3 Ų | 83.3 | 37% | 0.374 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 176.5 | -69.9 | 173.7 | 25.4 | 0 | 0 | 111.8 | E47 T48 F49 F53 R54 L55 | E47-Q51 WeakPolarHBondContact O-CG 2.93Å; E47-Q51 PolarHBondContact O-N 3.48Å; T48-Q51 PolarHBondContact O-N 3.05Å; F49-Q51 VanDerWaalsContact C-N 3.34Å; F49-Q51 PolarHBondContact O-N 3.08Å; Q51-F53 VanDerWaalsContact C-N 3.28Å; Q51-F53 PolarHBondContact O-N 3.08Å; Q51-R54 WeakPolarHBondContact O-CB 3.48Å; Q51-R54 PolarHBondContact O-N 2.99Å; Q51-R54 VanDerWaalsContact O-N 3.16Å; Q51-L55 WeakPolarHBondContact O-CG 3.37Å; Q51-L55 PolarHBondContact O-N 3.41Å |
| 52 | L | 81 | Confident | 71.4 | Confident | 82 Ų | 82 | 80.4 Ų | 80.4 | 43% | 0.429 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 174.4 | -71.5 | 172.8 | 0 | 0 | 0 | 112.3 | T48 F49 L55 F56 L74 | T48-L52 HydrophobicContact CG2-CD1 4.45Å; T48-L52 VanDerWaalsContact O-CG 3.32Å; T48-L52 WeakPolarHBondContact O-CG 3.3Å; T48-L52 PolarHBondContact O-N 3.26Å; F49-L52 HydrophobicContact CD1-CD1 4.29Å; F49-L52 PolarHBondContact O-N 3.14Å; L52-L55 PolarHBondContact O-N 3.38Å; L52-F56 PolarHBondContact O-N 3.1Å; L52-L74 HydrophobicContact CB-CD1 4.46Å; L52-L74 HydrophobicContact CB-CD2 3.78Å; L52-L74 HydrophobicContact CD1-CD2 4.15Å |
| 53 | F | 82.5 | Confident | 72.4 | Confident | 30 Ų | 30 | 73.1 Ų | 73.1 | 13% | 0.132 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 172.6 | 177.1 | -95.5 | 0 | 0 | 0 | 111.7 | F49 R50 Q51 L55 F56 L71 C75 W78 V229 | F49-F53 WeakPolarHBondContact O-CB 3.45Å; F49-F53 PolarHBondContact O-N 3.17Å; R50-F53 WeakPolarHBondContact O-CB 3.19Å; R50-F53 PolarHBondContact O-N 2.97Å; Q51-F53 VanDerWaalsContact C-N 3.28Å; Q51-F53 PolarHBondContact O-N 3.08Å; F53-L55 VanDerWaalsContact C-N 3.26Å; F53-L55 PolarHBondContact O-N 3.32Å; F53-F56 VanDerWaalsContact O-CB 3.31Å; F53-F56 WeakPolarHBondContact O-CB 3.3Å; F53-F56 PolarHBondContact O-N 3.46Å; F53-L71 HydrophobicContact CD2-CD1 3.76Å; F53-L71 HydrophobicContact CE2-CD1 3.59Å; F53-L71 HydrophobicContact CE2-CG 4.44Å; F53-C75 WeakPolarHBondContact CE2-SG 3.37Å; F53-W78 HydrophobicContact CD1-CE3 4.39Å; F53-W78 HydrophobicContact CD1-CZ3 4.08Å; F53-W78 HydrophobicContact CE1-CZ3 4.15Å; F53-W78 HydrophobicContact CG-CE3 4.35Å; F53-W78 HydrophobicContact CG-CZ3 4.46Å; F53-V229 HydrophobicContact CZ-CG2 4.39Å |
| 54 | R | 78.8 | Confident | 73.1 | Confident | 66 Ų | 66 | 70.5 Ų | 70.5 | 25% | 0.249 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.6 | -30.4 | 176.4 | -71 | 173.7 | 177.7 | 160.2 | 3.4 | 113.5 | R50 Q51 E96 | R50-R54 WeakPolarHBondContact O-CG 3.43Å; R50-R54 PolarHBondContact O-N 3.41Å; R50-R54 VanDerWaalsContact O-N 3.1Å; Q51-R54 WeakPolarHBondContact O-CB 3.48Å; Q51-R54 PolarHBondContact O-N 2.99Å; Q51-R54 VanDerWaalsContact O-N 3.16Å; R54-E96 IonicContact CZ-OE1 3.89Å; R54-E96 IonicContact CZ-OE2 3.14Å; R54-E96 IonicContact NE-OE1 3.85Å; R54-E96 IonicContact NE-OE2 3.9Å; R54-E96 PolarHBondContact NE-OE2 3.23Å; R54-E96 IonicContact NH2-OE1 3.73Å; R54-E96 PolarHBondContact NH2-OE1 3.07Å; R54-E96 IonicContact NH2-OE2 2.7Å; R54-E96 PolarHBondContact NH2-OE2 3.02Å |
| 55 | L | 79.1 | Confident | 73 | Confident | 132 Ų | 132 | 77.6 Ų | 77.6 | 69% | 0.691 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -3.2 | -180 | -65.7 | 172.7 | 0 | 0 | 0 | 113.1 | Q51 L52 F53 C57 | Q51-L55 WeakPolarHBondContact O-CG 3.37Å; Q51-L55 PolarHBondContact O-N 3.41Å; L52-L55 PolarHBondContact O-N 3.38Å; F53-L55 VanDerWaalsContact C-N 3.26Å; F53-L55 PolarHBondContact O-N 3.32Å; L55-C57 PolarHBondContact O-N 3.31Å; L55-C57 PolarHBondContact O-SG 3.33Å |
| 56 | F | 81.4 | Confident | 72.9 | Confident | 41 Ų | 41 | 79.5 Ų | 79.5 | 18% | 0.18 | 41% | 0.405 | C | S | . | . | trans | -63.2 | 121.1 | -177 | -177.2 | -91.8 | 0 | 0 | 0 | 110.8 | L52 F53 A67 R70 L71 L74 | L52-F56 PolarHBondContact O-N 3.1Å; F53-F56 VanDerWaalsContact O-CB 3.31Å; F53-F56 WeakPolarHBondContact O-CB 3.3Å; F53-F56 PolarHBondContact O-N 3.46Å; F56-A67 HydrophobicContact CZ-CB 4.19Å; F56-A67 WeakPolarHBondContact CZ-O 3.37Å; F56-R70 HydrophobicContact CE2-CB 4.19Å; F56-L71 HydrophobicContact CD1-CD1 3.87Å; F56-L71 HydrophobicContact CE1-CB 4.37Å; F56-L71 HydrophobicContact CE1-CD1 4.18Å; F56-L71 HydrophobicContact CG-CD1 4.05Å; F56-L71 HydrophobicContact CZ-CB 4.2Å; F56-L74 HydrophobicContact CD2-CD1 3.91Å | ||
| 57 | C | 73.1 | Confident | 72.9 | Confident | 94 Ų | 94 | 77.8 Ų | 77.8 | 64% | 0.635 | 40% | 0.395 | S | S | * | . | trans | -121 | 131.3 | 176.5 | -64.8 | 0 | 0 | 0 | 0 | 109.4 | L55 Q59 | L55-C57 PolarHBondContact O-N 3.31Å; L55-C57 PolarHBondContact O-SG 3.33Å; C57-Q59 PolarHBondContact O-N 3.28Å | ||
| 58 | Y | 67.9 | Low | 72.8 | Confident | 114 Ų | 114 | 81.1 Ų | 81.1 | 45% | 0.447 | 41% | 0.413 | S | S | . | . | trans | -64.9 | 122.6 | 173.5 | 179.2 | -104.7 | 0 | 0 | 0 | 110.1 | E60 A67 | Y58-E60 HydrophobicContact CE1-CG 3.87Å; Y58-A67 HydrophobicContact CD2-CB 3.53Å; Y58-A67 HydrophobicContact CE2-CB 3.66Å | ||
| 59 | Q | 71.6 | Confident | 72.6 | Confident | 121 Ų | 121 | 81.1 Ų | 81.1 | 57% | 0.565 | 42% | 0.416 | S | S | * | . | trans | -109.1 | 123.3 | 171.6 | -62.1 | -173.5 | 28.2 | 0 | 0 | 109 | C57 V61 A62 | C57-Q59 PolarHBondContact O-N 3.28Å; Q59-V61 HydrophobicContact CB-CG2 3.86Å; Q59-V61 PolarHBondContact O-N 3.12Å; Q59-V61 VanDerWaalsContact O-N 3.08Å; Q59-A62 PolarHBondContact O-N 3.44Å | ||
| 60 | E | 49.9 | Very low | 72.4 | Confident | 159 Ų | 159 | 86.3 Ų | 86.3 | 74% | 0.743 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -56.7 | -28.1 | -178.5 | -75.2 | -175.2 | 165.2 | 0 | 0 | 113.1 | Y58 A62 G63 | Y58-E60 HydrophobicContact CE1-CG 3.87Å; E60-A62 VanDerWaalsContact C-N 3.28Å; E60-A62 PolarHBondContact O-N 2.75Å; E60-G63 PolarHBondContact O-N 2.75Å |
| 61 | V | 57.7 | Low | 72.3 | Confident | 132 Ų | 132 | 87.6 Ų | 87.6 | 80% | 0.8 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -65 | -24.8 | 178.5 | -69.3 | 0 | 0 | 0 | 0 | 114.3 | Q59 | Q59-V61 HydrophobicContact CB-CG2 3.86Å; Q59-V61 PolarHBondContact O-N 3.12Å; Q59-V61 VanDerWaalsContact O-N 3.08Å |
| 62 | A | 63.6 | Low | 72.3 | Confident | 37 Ų | 37 | 91.2 Ų | 91.2 | 31% | 0.306 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -81.7 | -20.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q59 E60 E66 | Q59-A62 PolarHBondContact O-N 3.44Å; E60-A62 VanDerWaalsContact C-N 3.28Å; E60-A62 PolarHBondContact O-N 2.75Å; A62-E66 HydrophobicContact CB-CB 4.13Å; A62-E66 HydrophobicContact CB-CG 4.25Å; A62-E66 WeakPolarHBondContact O-CB 3.44Å |
| 63 | G | 68.8 | Low | 72.4 | Confident | 20 Ų | 20 | 91.6 Ų | 91.6 | 21% | 0.206 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | 69 | 161.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E60 R65 E66 A67 | E60-G63 PolarHBondContact O-N 2.75Å; G63-R65 VanDerWaalsContact C-N 3.28Å; G63-R65 PolarHBondContact O-N 3.31Å; G63-E66 PolarHBondContact O-N 3.08Å; G63-A67 PolarHBondContact O-N 3.44Å |
| 64 | P | 68.3 | Low | 72.3 | Confident | 89 Ų | 89 | 91.5 Ų | 91.5 | 58% | 0.578 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67 | -28 | -171 | 24.8 | -34.1 | 0 | 0 | 0 | 113.5 | L68 | P64-L68 WeakPolarHBondContact O-CB 3.41Å; P64-L68 WeakPolarHBondContact O-CD1 3.43Å; P64-L68 WeakPolarHBondContact O-CG 3.47Å; P64-L68 PolarHBondContact O-N 3.39Å |
| 65 | R | 64.3 | Low | 72.4 | Confident | 210 Ų | 210 | 89.3 Ų | 89.3 | 79% | 0.792 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -71.7 | -46.8 | -179.1 | -171.4 | 179.1 | -177.7 | -157 | -1.4 | 111.7 | G63 L68 S69 | G63-R65 VanDerWaalsContact C-N 3.28Å; G63-R65 PolarHBondContact O-N 3.31Å; R65-L68 PolarHBondContact O-N 3.19Å; R65-S69 PolarHBondContact O-N 3.35Å; R65-S69 PolarHBondContact O-OG 2.99Å |
| 66 | E | 71.1 | Confident | 72.3 | Confident | 104 Ų | 104 | 84.4 Ų | 84.4 | 49% | 0.486 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68 | -39.5 | -179.3 | -167.8 | 61.2 | -160.7 | 0 | 0 | 111.4 | A62 G63 L68 S69 R70 | A62-E66 HydrophobicContact CB-CB 4.13Å; A62-E66 HydrophobicContact CB-CG 4.25Å; A62-E66 WeakPolarHBondContact O-CB 3.44Å; G63-E66 PolarHBondContact O-N 3.08Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 2.96Å; E66-S69 PolarHBondContact O-N 3.09Å; E66-R70 WeakPolarHBondContact O-CB 3.39Å; E66-R70 WeakPolarHBondContact O-CG 3.44Å; E66-R70 PolarHBondContact O-N 2.6Å |
| 67 | A | 74.4 | Confident | 72.3 | Confident | 8 Ų | 8 | 88.1 Ų | 88.1 | 7% | 0.066 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | F56 Y58 G63 L71 | F56-A67 HydrophobicContact CZ-CB 4.19Å; F56-A67 WeakPolarHBondContact CZ-O 3.37Å; Y58-A67 HydrophobicContact CD2-CB 3.53Å; Y58-A67 HydrophobicContact CE2-CB 3.66Å; G63-A67 PolarHBondContact O-N 3.44Å; A67-L71 VanDerWaalsContact O-CB 3.3Å; A67-L71 WeakPolarHBondContact O-CB 3.44Å; A67-L71 PolarHBondContact O-N 3.24Å |
| 68 | L | 72.9 | Confident | 72.8 | Confident | 97 Ų | 97 | 84 Ų | 84 | 51% | 0.508 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 176.7 | -72.6 | 171.2 | 0 | 0 | 0 | 112.3 | P64 R65 E66 L71 W72 | P64-L68 WeakPolarHBondContact O-CB 3.41Å; P64-L68 WeakPolarHBondContact O-CD1 3.43Å; P64-L68 WeakPolarHBondContact O-CG 3.47Å; P64-L68 PolarHBondContact O-N 3.39Å; R65-L68 PolarHBondContact O-N 3.19Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 2.96Å; L68-L71 PolarHBondContact O-N 3.42Å; L68-W72 VanDerWaalsContact O-CB 3.26Å; L68-W72 WeakPolarHBondContact O-CB 3.49Å; L68-W72 PolarHBondContact O-N 3.09Å |
| 69 | S | 75.7 | Confident | 73.5 | Confident | 61 Ų | 61 | 79.3 Ų | 79.3 | 43% | 0.427 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 175.8 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | R65 E66 W72 E73 | R65-S69 PolarHBondContact O-N 3.35Å; R65-S69 PolarHBondContact O-OG 2.99Å; E66-S69 PolarHBondContact O-N 3.09Å; S69-W72 WeakPolarHBondContact O-CB 3.36Å; S69-W72 PolarHBondContact O-N 3.43Å; S69-E73 PolarHBondContact O-N 3.42Å |
| 70 | R | 77.5 | Confident | 73.9 | Confident | 132 Ų | 132 | 79 Ų | 79 | 50% | 0.498 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 176.8 | -70.5 | 177.4 | 66.1 | -178.8 | 1.7 | 112.3 | F56 E66 W72 E73 L74 | F56-R70 HydrophobicContact CE2-CB 4.19Å; E66-R70 WeakPolarHBondContact O-CB 3.39Å; E66-R70 WeakPolarHBondContact O-CG 3.44Å; E66-R70 PolarHBondContact O-N 2.6Å; R70-W72 VanDerWaalsContact C-N 3.33Å; R70-E73 PolarHBondContact O-N 2.78Å; R70-L74 WeakPolarHBondContact O-CG 3.31Å; R70-L74 PolarHBondContact O-N 2.87Å |
| 71 | L | 79.3 | Confident | 75.1 | Confident | 30 Ų | 30 | 74.3 Ų | 74.3 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 175.7 | -173.6 | 66.9 | 0 | 0 | 0 | 111.1 | F53 F56 A67 L68 L74 C75 | F53-L71 HydrophobicContact CD2-CD1 3.76Å; F53-L71 HydrophobicContact CE2-CD1 3.59Å; F53-L71 HydrophobicContact CE2-CG 4.44Å; F56-L71 HydrophobicContact CD1-CD1 3.87Å; F56-L71 HydrophobicContact CE1-CB 4.37Å; F56-L71 HydrophobicContact CE1-CD1 4.18Å; F56-L71 HydrophobicContact CG-CD1 4.05Å; F56-L71 HydrophobicContact CZ-CB 4.2Å; A67-L71 VanDerWaalsContact O-CB 3.3Å; A67-L71 WeakPolarHBondContact O-CB 3.44Å; A67-L71 PolarHBondContact O-N 3.24Å; L68-L71 PolarHBondContact O-N 3.42Å; L71-L74 PolarHBondContact O-N 3.29Å; L71-C75 PolarHBondContact O-N 3.37Å; L71-C75 PolarHBondContact O-SG 2.81Å |
| 72 | W | 80.4 | Confident | 76 | Confident | 156 Ų | 156 | 74.8 Ų | 74.8 | 59% | 0.591 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.9 | -47.3 | 175.4 | 174.5 | -98.8 | 0 | 0 | 0 | 111.9 | L68 S69 R70 L74 C75 C76 | L68-W72 VanDerWaalsContact O-CB 3.26Å; L68-W72 WeakPolarHBondContact O-CB 3.49Å; L68-W72 PolarHBondContact O-N 3.09Å; S69-W72 WeakPolarHBondContact O-CB 3.36Å; S69-W72 PolarHBondContact O-N 3.43Å; R70-W72 VanDerWaalsContact C-N 3.33Å; W72-L74 PolarHBondContact O-N 3.27Å; W72-C75 WeakPolarHBondContact O-CB 3.36Å; W72-C75 PolarHBondContact O-N 2.71Å; W72-C76 PolarHBondContact O-N 3.13Å; W72-C76 PolarHBondContact O-SG 3.38Å |
| 73 | E | 81.3 | Confident | 76.4 | Confident | 91 Ų | 91 | 78.6 Ų | 78.6 | 43% | 0.425 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 178.8 | -175 | 172.3 | -165.6 | 0 | 0 | 112.5 | S69 R70 C75 C76 R77 | S69-E73 PolarHBondContact O-N 3.42Å; R70-E73 PolarHBondContact O-N 2.78Å; E73-C75 VanDerWaalsContact C-N 3.34Å; E73-C75 PolarHBondContact O-N 3.45Å; E73-C76 PolarHBondContact O-N 3.15Å; E73-R77 WeakPolarHBondContact O-CG 3.32Å; E73-R77 PolarHBondContact O-N 2.82Å; E73-R77 IonicContact OE1-CZ 3.22Å; E73-R77 IonicContact OE1-NE 3.52Å; E73-R77 PolarHBondContact OE1-NE 3.47Å; E73-R77 IonicContact OE1-NH2 2.77Å; E73-R77 PolarHBondContact OE1-NH2 3.38Å |
| 74 | L | 82.3 | Confident | 76.9 | Confident | 28 Ų | 28 | 82 Ų | 82 | 15% | 0.147 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 174.5 | -70.9 | 174.1 | 0 | 0 | 0 | 111.7 | F49 L52 F56 R70 L71 W72 W78 | F49-L74 HydrophobicContact CD1-CD2 4.02Å; L52-L74 HydrophobicContact CB-CD1 4.46Å; L52-L74 HydrophobicContact CB-CD2 3.78Å; L52-L74 HydrophobicContact CD1-CD2 4.15Å; F56-L74 HydrophobicContact CD2-CD1 3.91Å; R70-L74 WeakPolarHBondContact O-CG 3.31Å; R70-L74 PolarHBondContact O-N 2.87Å; L71-L74 PolarHBondContact O-N 3.29Å; W72-L74 PolarHBondContact O-N 3.27Å; L74-W78 VanDerWaalsContact O-CB 3.25Å; L74-W78 WeakPolarHBondContact O-CB 3.46Å; L74-W78 PolarHBondContact O-N 3.13Å |
| 75 | C | 79.3 | Confident | 77.5 | Confident | 19 Ų | 19 | 81.1 Ų | 81.1 | 13% | 0.128 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.7 | -73 | 0 | 0 | 0 | 0 | 112.3 | F53 L71 W72 E73 W78 L79 | F53-C75 WeakPolarHBondContact CE2-SG 3.37Å; L71-C75 PolarHBondContact O-N 3.37Å; L71-C75 PolarHBondContact O-SG 2.81Å; W72-C75 WeakPolarHBondContact O-CB 3.36Å; W72-C75 PolarHBondContact O-N 2.71Å; E73-C75 VanDerWaalsContact C-N 3.34Å; E73-C75 PolarHBondContact O-N 3.45Å; C75-W78 PolarHBondContact O-N 2.8Å; C75-L79 HydrophobicContact CB-CD1 4.43Å; C75-L79 VanDerWaalsContact O-CB 3.23Å; C75-L79 WeakPolarHBondContact O-CB 3.45Å; C75-L79 WeakPolarHBondContact O-CG 3.5Å; C75-L79 PolarHBondContact O-N 3.14Å |
| 76 | C | 77 | Confident | 77.9 | Confident | 30 Ų | 30 | 78.1 Ų | 78.1 | 20% | 0.203 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 178 | -74.7 | 0 | 0 | 0 | 0 | 111.6 | W72 E73 R80 | W72-C76 PolarHBondContact O-N 3.13Å; W72-C76 PolarHBondContact O-SG 3.38Å; E73-C76 PolarHBondContact O-N 3.15Å; C76-R80 WeakPolarHBondContact O-CA 3.49Å; C76-R80 PolarHBondContact O-N 3.37Å |
| 77 | R | 82.5 | Confident | 78.2 | Confident | 119 Ų | 119 | 79 Ų | 79 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.9 | -32.7 | 179.9 | -66.6 | -170.5 | -172 | -152 | 6 | 113.1 | F49 E73 R80 | F49-R77 HydrophobicContact CB-CB 4.29Å; F49-R77 HydrophobicContact CD1-CB 3.91Å; F49-R77 HydrophobicContact CD2-CB 3.73Å; F49-R77 HydrophobicContact CE1-CB 4.16Å; F49-R77 VanDerWaalsContact CE1-CD 3.42Å; F49-R77 HydrophobicContact CE1-CG 4.45Å; F49-R77 HydrophobicContact CE2-CB 3.97Å; F49-R77 HydrophobicContact CG-CB 3.7Å; F49-R77 HydrophobicContact CZ-CB 4.19Å; F49-R77 VanDerWaalsContact CZ-CD 3.44Å; F49-R77 HydrophobicContact CZ-CG 4.44Å; E73-R77 WeakPolarHBondContact O-CG 3.32Å; E73-R77 PolarHBondContact O-N 2.82Å; E73-R77 IonicContact OE1-CZ 3.22Å; E73-R77 IonicContact OE1-NE 3.52Å; E73-R77 PolarHBondContact OE1-NE 3.47Å; E73-R77 IonicContact OE1-NH2 2.77Å; E73-R77 PolarHBondContact OE1-NH2 3.38Å; R77-R80 WeakPolarHBondContact O-CG 3.34Å |
| 78 | W | 84.1 | Confident | 78.3 | Confident | 6 Ų | 6 | 83 Ų | 83 | 2% | 0.023 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -76.2 | -54.3 | 175.1 | 168.5 | 39.7 | 0 | 0 | 0 | 112.6 | F49 R50 F53 L74 C75 L92 L93 E96 | F49-W78 HydrophobicContact CB-CB 3.97Å; R50-W78 HydrophobicContact CB-CD2 4.25Å; R50-W78 HydrophobicContact CB-CG 3.97Å; R50-W78 HydrophobicContact CG-CD2 4.15Å; R50-W78 HydrophobicContact CG-CG 4.37Å; R50-W78 HydrophobicContact CG-CZ2 3.97Å; F53-W78 HydrophobicContact CD1-CE3 4.39Å; F53-W78 HydrophobicContact CD1-CZ3 4.08Å; F53-W78 HydrophobicContact CE1-CZ3 4.15Å; F53-W78 HydrophobicContact CG-CE3 4.35Å; F53-W78 HydrophobicContact CG-CZ3 4.46Å; L74-W78 VanDerWaalsContact O-CB 3.25Å; L74-W78 WeakPolarHBondContact O-CB 3.46Å; L74-W78 PolarHBondContact O-N 3.13Å; C75-W78 PolarHBondContact O-N 2.8Å; W78-L92 HydrophobicContact CZ2-CB 4.25Å; W78-L93 HydrophobicContact CH2-CD2 4.15Å; W78-L93 HydrophobicContact CZ3-CD2 4.18Å; W78-E96 HydrophobicContact CH2-CB 4.42Å; W78-E96 HydrophobicContact CH2-CG 3.36Å; W78-E96 HydrophobicContact CZ2-CG 3.67Å; W78-E96 HydrophobicContact CZ3-CG 4.4Å |
| 79 | L | 81.1 | Confident | 78.8 | Confident | 16 Ų | 16 | 79.3 Ų | 79.3 | 8% | 0.084 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -77.8 | -24.6 | -172.4 | -64 | 171 | 0 | 0 | 0 | 112.6 | C75 R84 I89 L92 L93 | C75-L79 HydrophobicContact CB-CD1 4.43Å; C75-L79 VanDerWaalsContact O-CB 3.23Å; C75-L79 WeakPolarHBondContact O-CB 3.45Å; C75-L79 WeakPolarHBondContact O-CG 3.5Å; C75-L79 PolarHBondContact O-N 3.14Å; L79-R84 WeakPolarHBondContact O-CD 3.48Å; L79-R84 PolarHBondContact O-NE 3.25Å; L79-I89 HydrophobicContact CD1-CG2 4.2Å; L79-I89 HydrophobicContact CD2-CG2 4.32Å; L79-L92 HydrophobicContact CD2-CB 4.08Å; L79-L92 HydrophobicContact CD2-CD1 4.07Å; L79-L93 HydrophobicContact CD1-CD2 4.29Å; L79-L93 HydrophobicContact CD2-CD2 4.41Å |
| 80 | R | 81 | Confident | 79 | Confident | 115 Ų | 115 | 80.6 Ų | 80.6 | 43% | 0.434 | 37% | 0.371 | S | S | . | . | trans | 44.7 | 62.5 | -178.7 | -58.1 | -173.1 | 73.2 | 177.1 | 6.3 | 111.7 | C76 R77 E82 L83 R84 | C76-R80 WeakPolarHBondContact O-CA 3.49Å; C76-R80 PolarHBondContact O-N 3.37Å; R77-R80 WeakPolarHBondContact O-CG 3.34Å; R80-E82 VanDerWaalsContact C-OE2 3.3Å; R80-E82 WeakPolarHBondContact CA-OE2 3.46Å; R80-E82 PolarHBondContact O-N 2.88Å; R80-L83 HydrophobicContact CB-CB 4.48Å; R80-L83 VanDerWaalsContact NH2-CD1 3.28Å; R80-L83 PolarHBondContact O-N 3.48Å; R80-R84 PolarHBondContact O-N 3.16Å | ||
| 81 | P | 73.8 | Confident | 79.3 | Confident | 60 Ų | 60 | 77.4 Ų | 77.4 | 39% | 0.39 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16.4 | -175.5 | 26.6 | -34.4 | 0 | 0 | 0 | 113.5 | L83 I89 | P81-L83 VanDerWaalsContact C-N 3.28Å; P81-I89 HydrophobicContact CB-CD1 3.98Å |
| 82 | E | 78.1 | Confident | 79.5 | Confident | 142 Ų | 142 | 76.4 Ų | 76.4 | 66% | 0.664 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -22.3 | 174.8 | -51.5 | 75.1 | -159.6 | 0 | 0 | 112.5 | R80 | R80-E82 VanDerWaalsContact C-OE2 3.3Å; R80-E82 WeakPolarHBondContact CA-OE2 3.46Å; R80-E82 PolarHBondContact O-N 2.88Å |
| 83 | L | 72.4 | Confident | 79.7 | Confident | 118 Ų | 118 | 70.4 Ų | 70.4 | 62% | 0.618 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | -12 | -175.9 | -62.4 | -176.9 | 0 | 0 | 0 | 114.1 | R80 P81 | R80-L83 HydrophobicContact CB-CB 4.48Å; R80-L83 VanDerWaalsContact NH2-CD1 3.28Å; R80-L83 PolarHBondContact O-N 3.48Å; P81-L83 VanDerWaalsContact C-N 3.28Å |
| 84 | R | 79.1 | Confident | 79.8 | Confident | 92 Ų | 92 | 69 Ų | 69 | 35% | 0.347 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -115.6 | 141.6 | -174.7 | -62.7 | -165.4 | -167.7 | -113.7 | 2.3 | 111.9 | L79 R80 Q88 I89 | L79-R84 WeakPolarHBondContact O-CD 3.48Å; L79-R84 PolarHBondContact O-NE 3.25Å; R80-R84 PolarHBondContact O-N 3.16Å; R84-Q88 VanDerWaalsContact CA-OE1 3.32Å; R84-Q88 HydrophobicContact CB-CB 4.13Å; R84-I89 HydrophobicContact CB-CD1 4.37Å; R84-I89 HydrophobicContact CB-CG1 3.83Å |
| 85 | T | 80.6 | Confident | 79.9 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 42% | 0.423 | 33% | 0.326 | S | S | . | . | trans | -71.2 | 162.8 | 171.9 | 79.4 | 0 | 0 | 0 | 0 | 110.9 | E87 Q88 I89 | T85-E87 VanDerWaalsContact CB-OE2 3.25Å; T85-E87 WeakPolarHBondContact CB-OE2 3.48Å; T85-E87 PolarHBondContact O-N 3.35Å; T85-E87 PolarHBondContact OG1-N 2.93Å; T85-E87 PolarHBondContact OG1-OE2 3.41Å; T85-Q88 PolarHBondContact O-N 3.03Å; T85-Q88 VanDerWaalsContact O-N 3.12Å; T85-Q88 PolarHBondContact OG1-N 3.38Å; T85-I89 WeakPolarHBondContact O-CG1 3.34Å; T85-I89 PolarHBondContact O-N 2.86Å | ||
| 86 | K | 72.3 | Confident | 80.2 | Confident | 148 Ų | 148 | 67.6 Ų | 67.6 | 64% | 0.643 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -55.3 | -38.9 | 177.5 | -174.8 | -179.5 | 176.9 | -175.7 | 0 | 111.7 | I89 L90 | K86-I89 PolarHBondContact O-N 3.49Å; K86-L90 HydrophobicContact CG-CD1 4.24Å; K86-L90 WeakPolarHBondContact O-CB 3.44Å; K86-L90 VanDerWaalsContact O-CG 3.25Å; K86-L90 WeakPolarHBondContact O-CG 3.42Å; K86-L90 PolarHBondContact O-N 3.28Å |
| 87 | E | 77.5 | Confident | 80.5 | Confident | 122 Ų | 122 | 68.5 Ų | 68.5 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.8 | -44 | 179.4 | -59.2 | 68.3 | -144.5 | 0 | 0 | 110.9 | T85 I89 L90 E91 | T85-E87 VanDerWaalsContact CB-OE2 3.25Å; T85-E87 WeakPolarHBondContact CB-OE2 3.48Å; T85-E87 PolarHBondContact O-N 3.35Å; T85-E87 PolarHBondContact OG1-N 2.93Å; T85-E87 PolarHBondContact OG1-OE2 3.41Å; E87-I89 VanDerWaalsContact C-N 3.35Å; E87-I89 PolarHBondContact O-N 3.47Å; E87-L90 PolarHBondContact O-N 3.43Å; E87-E91 WeakPolarHBondContact O-CG 3.49Å; E87-E91 PolarHBondContact O-N 3.18Å |
| 88 | Q | 76.7 | Confident | 80.5 | Confident | 91 Ų | 91 | 65.5 Ų | 65.5 | 43% | 0.425 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 178.2 | -68 | 171.4 | -23.5 | 0 | 0 | 112.2 | R84 T85 E91 L92 | R84-Q88 VanDerWaalsContact CA-OE1 3.32Å; R84-Q88 HydrophobicContact CB-CB 4.13Å; T85-Q88 PolarHBondContact O-N 3.03Å; T85-Q88 VanDerWaalsContact O-N 3.12Å; T85-Q88 PolarHBondContact OG1-N 3.38Å; Q88-E91 PolarHBondContact O-N 3.32Å; Q88-L92 WeakPolarHBondContact O-CG 3.49Å; Q88-L92 PolarHBondContact O-N 3.23Å |
| 89 | I | 83 | Confident | 80.3 | Confident | 21 Ų | 21 | 65.2 Ų | 65.2 | 11% | 0.108 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 174.5 | -65 | 167.9 | 0 | 0 | 0 | 110.3 | L79 P81 R84 T85 K86 E87 L92 L93 | L79-I89 HydrophobicContact CD1-CG2 4.2Å; L79-I89 HydrophobicContact CD2-CG2 4.32Å; P81-I89 HydrophobicContact CB-CD1 3.98Å; R84-I89 HydrophobicContact CB-CD1 4.37Å; R84-I89 HydrophobicContact CB-CG1 3.83Å; T85-I89 WeakPolarHBondContact O-CG1 3.34Å; T85-I89 PolarHBondContact O-N 2.86Å; K86-I89 PolarHBondContact O-N 3.49Å; E87-I89 VanDerWaalsContact C-N 3.35Å; E87-I89 PolarHBondContact O-N 3.47Å; I89-L92 PolarHBondContact O-N 3.34Å; I89-L93 HydrophobicContact CG2-CD1 4.2Å; I89-L93 WeakPolarHBondContact O-CG 3.43Å; I89-L93 PolarHBondContact O-N 3.48Å; I89-L93 VanDerWaalsContact O-N 3.08Å |
| 90 | L | 80.5 | Confident | 80.2 | Confident | 88 Ų | 88 | 66.9 Ų | 66.9 | 46% | 0.461 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 176.7 | -72.5 | 171.6 | 0 | 0 | 0 | 111.8 | K86 E87 L92 L93 V94 | K86-L90 HydrophobicContact CG-CD1 4.24Å; K86-L90 WeakPolarHBondContact O-CB 3.44Å; K86-L90 VanDerWaalsContact O-CG 3.25Å; K86-L90 WeakPolarHBondContact O-CG 3.42Å; K86-L90 PolarHBondContact O-N 3.28Å; E87-L90 PolarHBondContact O-N 3.43Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.26Å; L90-L93 PolarHBondContact O-N 3.39Å; L90-V94 WeakPolarHBondContact O-CB 3.48Å; L90-V94 WeakPolarHBondContact O-CG2 3.28Å; L90-V94 PolarHBondContact O-N 3.29Å |
| 91 | E | 83.4 | Confident | 80.2 | Confident | 64 Ų | 64 | 66.5 Ų | 66.5 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59 | -41.7 | 175.2 | -75.4 | -66.1 | 148 | 0 | 0 | 112.3 | E87 Q88 V94 L95 | E87-E91 WeakPolarHBondContact O-CG 3.49Å; E87-E91 PolarHBondContact O-N 3.18Å; Q88-E91 PolarHBondContact O-N 3.32Å; E91-V94 PolarHBondContact O-N 2.82Å; E91-L95 VanDerWaalsContact O-CB 3.27Å; E91-L95 WeakPolarHBondContact O-CB 3.44Å; E91-L95 PolarHBondContact O-N 2.86Å |
| 92 | L | 83.9 | Confident | 80.5 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 176.1 | -70.4 | 173.7 | 0 | 0 | 0 | 113 | W78 L79 Q88 I89 L90 L95 E96 | W78-L92 HydrophobicContact CZ2-CB 4.25Å; L79-L92 HydrophobicContact CD2-CB 4.08Å; L79-L92 HydrophobicContact CD2-CD1 4.07Å; Q88-L92 WeakPolarHBondContact O-CG 3.49Å; Q88-L92 PolarHBondContact O-N 3.23Å; I89-L92 PolarHBondContact O-N 3.34Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.26Å; L92-L95 WeakPolarHBondContact O-CB 3.41Å; L92-L95 PolarHBondContact O-N 3.41Å; L92-E96 PolarHBondContact O-N 3.22Å |
| 93 | L | 83.8 | Confident | 80.6 | Confident | 29 Ų | 29 | 62 Ų | 62 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.9 | -40.8 | 176.4 | -68.9 | 174.1 | 0 | 0 | 0 | 111.6 | W78 L79 I89 L90 L95 E96 Q97 | W78-L93 HydrophobicContact CH2-CD2 4.15Å; W78-L93 HydrophobicContact CZ3-CD2 4.18Å; L79-L93 HydrophobicContact CD1-CD2 4.29Å; L79-L93 HydrophobicContact CD2-CD2 4.41Å; I89-L93 HydrophobicContact CG2-CD1 4.2Å; I89-L93 WeakPolarHBondContact O-CG 3.43Å; I89-L93 PolarHBondContact O-N 3.48Å; I89-L93 VanDerWaalsContact O-N 3.08Å; L90-L93 PolarHBondContact O-N 3.39Å; L93-L95 VanDerWaalsContact C-N 3.32Å; L93-E96 PolarHBondContact O-N 2.77Å; L93-Q97 PolarHBondContact O-N 3.45Å |
| 94 | V | 83.7 | Confident | 80.6 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 38% | 0.376 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 174.6 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | L90 E91 Q97 F98 | L90-V94 WeakPolarHBondContact O-CB 3.48Å; L90-V94 WeakPolarHBondContact O-CG2 3.28Å; L90-V94 PolarHBondContact O-N 3.29Å; E91-V94 PolarHBondContact O-N 2.82Å; V94-Q97 CarbonylContact O-C 3.59Å; V94-Q97 PolarHBondContact O-N 3.11Å; V94-F98 WeakPolarHBondContact O-CB 3.05Å; V94-F98 PolarHBondContact O-N 3.2Å |
| 95 | L | 85.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 173.7 | 172.4 | 59.5 | 0 | 0 | 0 | 111.9 | E91 L92 L93 Q97 F98 L99 P115 A121 | E91-L95 VanDerWaalsContact O-CB 3.27Å; E91-L95 WeakPolarHBondContact O-CB 3.44Å; E91-L95 PolarHBondContact O-N 2.86Å; L92-L95 WeakPolarHBondContact O-CB 3.41Å; L92-L95 PolarHBondContact O-N 3.41Å; L93-L95 VanDerWaalsContact C-N 3.32Å; L95-Q97 VanDerWaalsContact C-N 3.35Å; L95-Q97 PolarHBondContact O-N 3.11Å; L95-F98 WeakPolarHBondContact O-CB 3.3Å; L95-F98 PolarHBondContact O-N 2.89Å; L95-L99 HydrophobicContact CD1-CD1 4.19Å; L95-L99 HydrophobicContact CD1-CG 4.17Å; L95-L99 HydrophobicContact CG-CD1 4.37Å; L95-L99 VanDerWaalsContact O-CG 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 2.99Å; L95-P115 HydrophobicContact CD1-CB 4.39Å; L95-P115 HydrophobicContact CD1-CG 4.16Å; L95-P115 WeakPolarHBondContact CD2-O 3.2Å; L95-A121 HydrophobicContact CD1-CB 3.54Å |
| 96 | E | 85.4 | Confident | 80.3 | Confident | 17 Ų | 17 | 61.3 Ų | 61.3 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 174.3 | -76.1 | -49.1 | 115 | 0 | 0 | 112.4 | R50 R54 W78 L92 L93 F98 L99 T100 | R50-E96 IonicContact CZ-OE1 3.12Å; R50-E96 IonicContact NE-OE1 3.4Å; R50-E96 PolarHBondContact NE-OE1 3.1Å; R50-E96 IonicContact NH2-OE1 2.81Å; R50-E96 PolarHBondContact NH2-OE1 2.84Å; R54-E96 IonicContact CZ-OE1 3.89Å; R54-E96 IonicContact CZ-OE2 3.14Å; R54-E96 IonicContact NE-OE1 3.85Å; R54-E96 IonicContact NE-OE2 3.9Å; R54-E96 PolarHBondContact NE-OE2 3.23Å; R54-E96 IonicContact NH2-OE1 3.73Å; R54-E96 PolarHBondContact NH2-OE1 3.07Å; R54-E96 IonicContact NH2-OE2 2.7Å; R54-E96 PolarHBondContact NH2-OE2 3.02Å; W78-E96 HydrophobicContact CH2-CB 4.42Å; W78-E96 HydrophobicContact CH2-CG 3.36Å; W78-E96 HydrophobicContact CZ2-CG 3.67Å; W78-E96 HydrophobicContact CZ3-CG 4.4Å; L92-E96 PolarHBondContact O-N 3.22Å; L93-E96 PolarHBondContact O-N 2.77Å; E96-F98 VanDerWaalsContact C-N 3.29Å; E96-F98 PolarHBondContact O-N 2.74Å; E96-L99 PolarHBondContact O-N 3.45Å; E96-T100 WeakPolarHBondContact O-CG2 3.5Å; E96-T100 PolarHBondContact O-N 3.41Å |
| 97 | Q | 82.6 | Confident | 80.6 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 23% | 0.234 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.7 | -34.6 | 176.5 | -173.2 | 58.7 | 43.9 | 0 | 0 | 112.2 | L93 V94 L95 T100 V101 L226 | L93-Q97 PolarHBondContact O-N 3.45Å; V94-Q97 CarbonylContact O-C 3.59Å; V94-Q97 PolarHBondContact O-N 3.11Å; L95-Q97 VanDerWaalsContact C-N 3.35Å; L95-Q97 PolarHBondContact O-N 3.11Å; Q97-T100 PolarHBondContact NE2-OG1 2.9Å; Q97-T100 PolarHBondContact O-N 2.8Å; Q97-T100 PolarHBondContact O-OG1 2.88Å; Q97-V101 WeakPolarHBondContact O-CG2 3.41Å; Q97-L226 HydrophobicContact CG-CD2 4.26Å |
| 98 | F | 81.5 | Confident | 80.7 | Confident | 56 Ų | 56 | 52.8 Ų | 52.8 | 25% | 0.246 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.5 | -46 | 174.2 | 178.5 | -101.8 | 0 | 0 | 0 | 110.5 | V94 L95 E96 T100 V101 L102 A121 V122 V125 | V94-F98 WeakPolarHBondContact O-CB 3.05Å; V94-F98 PolarHBondContact O-N 3.2Å; L95-F98 WeakPolarHBondContact O-CB 3.3Å; L95-F98 PolarHBondContact O-N 2.89Å; E96-F98 VanDerWaalsContact C-N 3.29Å; E96-F98 PolarHBondContact O-N 2.74Å; F98-T100 VanDerWaalsContact C-N 3.29Å; F98-T100 PolarHBondContact O-N 3.13Å; F98-V101 PolarHBondContact O-N 3.21Å; F98-L102 HydrophobicContact CD1-CD1 4.28Å; F98-L102 HydrophobicContact CE1-CD1 3.91Å; F98-L102 HydrophobicContact CE1-CD2 4.16Å; F98-L102 HydrophobicContact CE1-CG 4.26Å; F98-L102 HydrophobicContact CZ-CD2 3.99Å; F98-L102 PolarHBondContact O-N 2.81Å; F98-A121 HydrophobicContact CD1-CB 3.88Å; F98-A121 HydrophobicContact CE1-CB 3.79Å; F98-V122 HydrophobicContact CE1-CG2 4.38Å; F98-V122 HydrophobicContact CE2-CG2 4.23Å; F98-V122 HydrophobicContact CZ-CG2 3.86Å; F98-V125 HydrophobicContact CE1-CG2 4.13Å; F98-V125 HydrophobicContact CZ-CG2 4.27Å |
| 99 | L | 80.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.4 | -29.9 | 179.3 | -66.7 | 174.5 | 0 | 0 | 0 | 112.7 | L95 E96 V101 L102 Q107 V110 R111 P115 | L95-L99 HydrophobicContact CD1-CD1 4.19Å; L95-L99 HydrophobicContact CD1-CG 4.17Å; L95-L99 HydrophobicContact CG-CD1 4.37Å; L95-L99 VanDerWaalsContact O-CG 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 2.99Å; E96-L99 PolarHBondContact O-N 3.45Å; L99-V101 VanDerWaalsContact C-N 3.33Å; L99-L102 HydrophobicContact CD2-CD1 4.04Å; L99-Q107 VanDerWaalsContact O-CG 3.31Å; L99-Q107 WeakPolarHBondContact O-CG 3.46Å; L99-Q107 PolarHBondContact O-NE2 2.65Å; L99-V110 HydrophobicContact CD2-CB 4.32Å; L99-V110 HydrophobicContact CD2-CG1 3.49Å; L99-V110 VanDerWaalsContact CD2-CG1 3.49Å; L99-R111 HydrophobicContact CD1-CG 4.44Å; L99-P115 HydrophobicContact CD1-CG 4.47Å; L99-P115 HydrophobicContact CD2-CG 4.37Å |
| 100 | T | 79.1 | Confident | 80.5 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 31% | 0.307 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -72.9 | -24.2 | 176.7 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | E96 Q97 F98 | E96-T100 WeakPolarHBondContact O-CG2 3.5Å; E96-T100 PolarHBondContact O-N 3.41Å; Q97-T100 PolarHBondContact NE2-OG1 2.9Å; Q97-T100 PolarHBondContact O-N 2.8Å; Q97-T100 PolarHBondContact O-OG1 2.88Å; F98-T100 VanDerWaalsContact C-N 3.29Å; F98-T100 PolarHBondContact O-N 3.13Å |
| 101 | V | 80.6 | Confident | 80.5 | Confident | 107 Ų | 107 | 53.6 Ų | 53.6 | 65% | 0.648 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -88.1 | -17.2 | -177.4 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | Q97 F98 L99 | Q97-V101 WeakPolarHBondContact O-CG2 3.41Å; F98-V101 PolarHBondContact O-N 3.21Å; L99-V101 VanDerWaalsContact C-N 3.33Å |
| 102 | L | 80.3 | Confident | 80.3 | Confident | 22 Ų | 22 | 57.6 Ų | 57.6 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -66.3 | 141.5 | 179.1 | -68.4 | 176.4 | 0 | 0 | 0 | 112.3 | F98 L99 I106 Q107 V110 V125 | F98-L102 HydrophobicContact CD1-CD1 4.28Å; F98-L102 HydrophobicContact CE1-CD1 3.91Å; F98-L102 HydrophobicContact CE1-CD2 4.16Å; F98-L102 HydrophobicContact CE1-CG 4.26Å; F98-L102 HydrophobicContact CZ-CD2 3.99Å; F98-L102 PolarHBondContact O-N 2.81Å; L99-L102 HydrophobicContact CD2-CD1 4.04Å; L102-I106 HydrophobicContact CD1-CG2 4.38Å; L102-I106 HydrophobicContact CD2-CG2 4.41Å; L102-Q107 HydrophobicContact CB-CB 3.94Å; L102-V110 HydrophobicContact CD1-CB 4.32Å; L102-V110 HydrophobicContact CD1-CG1 4.32Å; L102-V110 HydrophobicContact CD1-CG2 4.26Å; L102-V125 HydrophobicContact CD1-CG2 3.72Å; L102-V125 HydrophobicContact CD2-CG1 4.43Å; L102-V125 HydrophobicContact CD2-CG2 3.86Å; L102-V125 HydrophobicContact CG-CG2 4.48Å |
| 103 | P | 79.3 | Confident | 80.2 | Confident | 85 Ų | 85 | 62.2 Ų | 62.2 | 55% | 0.552 | 33% | 0.327 | S | S | * | . | trans | -57.1 | 140.6 | 171.9 | -23.1 | 33.2 | 0 | 0 | 0 | 111.6 | E105 I106 Q107 | P103-E105 VanDerWaalsContact C-N 3.3Å; P103-E105 PolarHBondContact O-N 3.37Å; P103-I106 HydrophobicContact CG-CD1 4.38Å; P103-I106 WeakPolarHBondContact O-CA 3.34Å; P103-I106 PolarHBondContact O-N 2.94Å; P103-Q107 PolarHBondContact O-N 3.22Å | ||
| 104 | G | 74.1 | Confident | 79.9 | Confident | 49 Ų | 49 | 65.3 Ų | 65.3 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -50 | -39.4 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q107 A108 | G104-Q107 PolarHBondContact O-N 2.86Å; G104-A108 WeakPolarHBondContact O-CB 3.37Å; G104-A108 PolarHBondContact O-N 2.81Å |
| 105 | E | 76.3 | Confident | 79.7 | Confident | 173 Ų | 173 | 62.3 Ų | 62.3 | 81% | 0.808 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.9 | -38.4 | 177.5 | -64.9 | 178.1 | -176.6 | 0 | 0 | 112.8 | P103 | P103-E105 VanDerWaalsContact C-N 3.3Å; P103-E105 PolarHBondContact O-N 3.37Å |
| 106 | I | 76.2 | Confident | 79.3 | Confident | 44 Ų | 44 | 69.8 Ų | 69.8 | 23% | 0.226 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -78 | -41.4 | 178.1 | -60.8 | 175.9 | 0 | 0 | 0 | 109.1 | L102 P103 A108 R109 V110 V125 L128 | L102-I106 HydrophobicContact CD1-CG2 4.38Å; L102-I106 HydrophobicContact CD2-CG2 4.41Å; P103-I106 HydrophobicContact CG-CD1 4.38Å; P103-I106 WeakPolarHBondContact O-CA 3.34Å; P103-I106 PolarHBondContact O-N 2.94Å; I106-A108 PolarHBondContact O-N 2.77Å; I106-R109 PolarHBondContact O-N 3.44Å; I106-V110 HydrophobicContact CG2-CG2 3.99Å; I106-V110 WeakPolarHBondContact O-CB 3.38Å; I106-V110 WeakPolarHBondContact O-CG2 3.4Å; I106-V110 PolarHBondContact O-N 3.27Å; I106-V125 HydrophobicContact CG2-CG1 4.29Å; I106-V125 HydrophobicContact CG2-CG2 3.91Å; I106-L128 HydrophobicContact CG2-CD1 4.27Å |
| 107 | Q | 79.7 | Confident | 79 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.9 | -45.9 | 177.4 | -178.5 | -177 | 48.8 | 0 | 0 | 112.3 | L99 L102 P103 G104 V110 R111 | L99-Q107 VanDerWaalsContact O-CG 3.31Å; L99-Q107 WeakPolarHBondContact O-CG 3.46Å; L99-Q107 PolarHBondContact O-NE2 2.65Å; L102-Q107 HydrophobicContact CB-CB 3.94Å; P103-Q107 PolarHBondContact O-N 3.22Å; G104-Q107 PolarHBondContact O-N 2.86Å; Q107-V110 PolarHBondContact O-N 2.69Å; Q107-R111 VanDerWaalsContact O-CB 3.29Å; Q107-R111 WeakPolarHBondContact O-CB 3.08Å; Q107-R111 VanDerWaalsContact O-CG 3.25Å; Q107-R111 WeakPolarHBondContact O-CG 3.5Å; Q107-R111 PolarHBondContact O-N 3.35Å |
| 108 | A | 78.3 | Confident | 78.6 | Confident | 49 Ų | 49 | 68.8 Ų | 68.8 | 41% | 0.405 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G104 I106 V110 R111 E112 | G104-A108 WeakPolarHBondContact O-CB 3.37Å; G104-A108 PolarHBondContact O-N 2.81Å; I106-A108 PolarHBondContact O-N 2.77Å; A108-V110 PolarHBondContact O-N 3.03Å; A108-R111 PolarHBondContact O-N 3.05Å; A108-E112 WeakPolarHBondContact O-CG 3.38Å; A108-E112 PolarHBondContact O-N 3.46Å |
| 109 | R | 76.8 | Confident | 78.3 | Confident | 142 Ų | 142 | 71 Ų | 71 | 54% | 0.536 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.1 | -33.7 | -180 | -73.3 | -175.2 | 160.2 | -160.2 | -6.6 | 114.3 | I106 L128 | I106-R109 PolarHBondContact O-N 3.44Å; R109-L128 HydrophobicContact CB-CD1 3.81Å; R109-L128 HydrophobicContact CB-CD2 4.42Å |
| 110 | V | 79.8 | Confident | 78.4 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -74.6 | -37.6 | 175.7 | 175.9 | 0 | 0 | 0 | 0 | 110 | L99 L102 I106 Q107 A108 Q113 P115 A121 L124 V125 L128 | L99-V110 HydrophobicContact CD2-CB 4.32Å; L99-V110 HydrophobicContact CD2-CG1 3.49Å; L99-V110 VanDerWaalsContact CD2-CG1 3.49Å; L102-V110 HydrophobicContact CD1-CB 4.32Å; L102-V110 HydrophobicContact CD1-CG1 4.32Å; L102-V110 HydrophobicContact CD1-CG2 4.26Å; I106-V110 HydrophobicContact CG2-CG2 3.99Å; I106-V110 WeakPolarHBondContact O-CB 3.38Å; I106-V110 WeakPolarHBondContact O-CG2 3.4Å; I106-V110 PolarHBondContact O-N 3.27Å; Q107-V110 PolarHBondContact O-N 2.69Å; A108-V110 PolarHBondContact O-N 3.03Å; V110-Q113 PolarHBondContact O-N 3.13Å; V110-P115 HydrophobicContact CG1-CG 4.06Å; V110-P115 WeakPolarHBondContact O-CD 3.29Å; V110-A121 HydrophobicContact CG1-CB 4.33Å; V110-L124 HydrophobicContact CG1-CB 4.47Å; V110-L124 HydrophobicContact CG1-CD1 4.34Å; V110-L124 HydrophobicContact CG2-CB 4.31Å; V110-V125 HydrophobicContact CG2-CG2 3.64Å; V110-L128 HydrophobicContact CG2-CD1 3.82Å |
| 111 | R | 79.4 | Confident | 78.5 | Confident | 74 Ų | 74 | 72.6 Ų | 72.6 | 28% | 0.279 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.1 | -33 | 175.6 | -77.3 | 178.9 | 173.4 | 179.9 | -2.8 | 113.2 | L99 Q107 A108 Q113 Q114 | L99-R111 HydrophobicContact CD1-CG 4.44Å; Q107-R111 VanDerWaalsContact O-CB 3.29Å; Q107-R111 WeakPolarHBondContact O-CB 3.08Å; Q107-R111 VanDerWaalsContact O-CG 3.25Å; Q107-R111 WeakPolarHBondContact O-CG 3.5Å; Q107-R111 PolarHBondContact O-N 3.35Å; A108-R111 PolarHBondContact O-N 3.05Å; R111-Q113 PolarHBondContact O-N 3.25Å; R111-Q114 PolarHBondContact O-N 2.96Å; R111-Q114 VanDerWaalsContact O-N 3.16Å |
| 112 | E | 80.6 | Confident | 78.5 | Confident | 149 Ų | 149 | 69.9 Ų | 69.9 | 70% | 0.696 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.2 | -29.6 | 173.1 | -79.9 | 168.7 | -168.9 | 0 | 0 | 112.7 | A108 | A108-E112 WeakPolarHBondContact O-CG 3.38Å; A108-E112 PolarHBondContact O-N 3.46Å |
| 113 | Q | 81.3 | Confident | 78.7 | Confident | 107 Ų | 107 | 73.5 Ų | 73.5 | 50% | 0.5 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 2.3 | -179.7 | -69.1 | -174.1 | 84 | 0 | 0 | 113.8 | V110 R111 L124 | V110-Q113 PolarHBondContact O-N 3.13Å; R111-Q113 PolarHBondContact O-N 3.25Å; Q113-L124 HydrophobicContact CB-CD1 3.72Å; Q113-L124 HydrophobicContact CB-CD2 4.4Å; Q113-L124 VanDerWaalsContact OE1-CD2 3.28Å |
| 114 | Q | 77.8 | Confident | 79 | Confident | 93 Ų | 93 | 70.9 Ų | 70.9 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | trans | 44.4 | 59.5 | 171.6 | -61.1 | -175.7 | -8.7 | 0 | 0 | 115 | R111 E116 | R111-Q114 PolarHBondContact O-N 2.96Å; R111-Q114 VanDerWaalsContact O-N 3.16Å; Q114-E116 PolarHBondContact O-N 3.39Å | ||
| 115 | P | 79.1 | Confident | 79.4 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -59.8 | 139.6 | 179.1 | 25 | -34.5 | 0 | 0 | 0 | 111.2 | R50 L95 L99 V110 E120 A121 L124 | R50-P115 PolarHBondContact NH1-O 3.37Å; R50-P115 PolarHBondContact NH2-O 3.21Å; L95-P115 HydrophobicContact CD1-CB 4.39Å; L95-P115 HydrophobicContact CD1-CG 4.16Å; L95-P115 WeakPolarHBondContact CD2-O 3.2Å; L99-P115 HydrophobicContact CD1-CG 4.47Å; L99-P115 HydrophobicContact CD2-CG 4.37Å; V110-P115 HydrophobicContact CG1-CG 4.06Å; V110-P115 WeakPolarHBondContact O-CD 3.29Å; P115-E120 WeakPolarHBondContact CA-OE2 3.37Å; P115-E120 HydrophobicContact CB-CB 4.21Å; P115-E120 HydrophobicContact CB-CG 4.08Å; P115-A121 HydrophobicContact CB-CB 3.91Å; P115-A121 HydrophobicContact CG-CB 3.88Å; P115-L124 HydrophobicContact CB-CD1 4.21Å; P115-L124 HydrophobicContact CG-CD1 4.43Å | ||
| 116 | E | 76.4 | Confident | 79.7 | Confident | 156 Ų | 156 | 64.7 Ų | 64.7 | 73% | 0.729 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -96 | -14.4 | 177.3 | -61.2 | -165.4 | 148.9 | 0 | 0 | 112.1 | Q114 E120 | Q114-E116 PolarHBondContact O-N 3.39Å; E116-E120 PolarHBondContact N-OE2 3.26Å |
| 117 | S | 78.3 | Confident | 79.9 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -136 | 151.9 | 178.9 | 176 | 0 | 0 | 0 | 0 | 112.4 | E119 E120 A121 | S117-E119 PolarHBondContact O-N 3.25Å; S117-E119 PolarHBondContact OG-N 2.91Å; S117-E120 PolarHBondContact O-N 3.24Å; S117-A121 PolarHBondContact O-N 3.13Å |
| 118 | G | 74.3 | Confident | 79.8 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 13% | 0.134 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.1 | -36.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A121 V122 | G118-A121 PolarHBondContact O-N 3.04Å; G118-V122 VanDerWaalsContact O-CG2 3.31Å; G118-V122 WeakPolarHBondContact O-CG2 3.39Å; G118-V122 PolarHBondContact O-N 3.44Å |
| 119 | E | 76.8 | Confident | 79.3 | Confident | 103 Ų | 103 | 68.1 Ų | 68.1 | 48% | 0.481 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 177.8 | -67.2 | 172.4 | -169.7 | 0 | 0 | 111.4 | S117 V122 V123 R272 | S117-E119 PolarHBondContact O-N 3.25Å; S117-E119 PolarHBondContact OG-N 2.91Å; E119-V122 PolarHBondContact O-N 3.28Å; E119-V123 WeakPolarHBondContact O-CG2 3.32Å; E119-V123 PolarHBondContact O-N 2.7Å; E119-V123 VanDerWaalsContact O-N 3.08Å; E119-R272 IonicContact OE1-CZ 2.82Å; E119-R272 IonicContact OE1-NE 3.04Å; E119-R272 PolarHBondContact OE1-NE 3.22Å; E119-R272 VanDerWaalsContact OE1-NE 3.08Å; E119-R272 IonicContact OE1-NH2 2.96Å; E119-R272 PolarHBondContact OE1-NH2 3.29Å |
| 120 | E | 81.4 | Confident | 78.7 | Confident | 83 Ų | 83 | 70.4 Ų | 70.4 | 39% | 0.388 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | 176.5 | -175 | 179.6 | -164.9 | 0 | 0 | 111.4 | P115 E116 S117 V122 V123 L124 | P115-E120 WeakPolarHBondContact CA-OE2 3.37Å; P115-E120 HydrophobicContact CB-CB 4.21Å; P115-E120 HydrophobicContact CB-CG 4.08Å; E116-E120 PolarHBondContact N-OE2 3.26Å; S117-E120 PolarHBondContact O-N 3.24Å; E120-V122 VanDerWaalsContact C-N 3.28Å; E120-V122 PolarHBondContact O-N 2.88Å; E120-V123 PolarHBondContact O-N 2.74Å; E120-L124 HydrophobicContact CG-CD1 4.49Å; E120-L124 WeakPolarHBondContact O-CG 3.4Å; E120-L124 PolarHBondContact O-N 3.38Å |
| 121 | A | 82.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.3 | -37.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L95 F98 V110 P115 S117 G118 L124 V125 | L95-A121 HydrophobicContact CD1-CB 3.54Å; F98-A121 HydrophobicContact CD1-CB 3.88Å; F98-A121 HydrophobicContact CE1-CB 3.79Å; V110-A121 HydrophobicContact CG1-CB 4.33Å; P115-A121 HydrophobicContact CB-CB 3.91Å; P115-A121 HydrophobicContact CG-CB 3.88Å; S117-A121 PolarHBondContact O-N 3.13Å; G118-A121 PolarHBondContact O-N 3.04Å; A121-L124 PolarHBondContact O-N 3.17Å; A121-V125 WeakPolarHBondContact O-CG2 3.39Å; A121-V125 PolarHBondContact O-N 3.48Å |
| 122 | V | 81.1 | Confident | 76.1 | Confident | 51 Ų | 51 | 76.8 Ų | 76.8 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 175.3 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | F98 G118 E119 E120 L124 V125 E126 | F98-V122 HydrophobicContact CE1-CG2 4.38Å; F98-V122 HydrophobicContact CE2-CG2 4.23Å; F98-V122 HydrophobicContact CZ-CG2 3.86Å; G118-V122 VanDerWaalsContact O-CG2 3.31Å; G118-V122 WeakPolarHBondContact O-CG2 3.39Å; G118-V122 PolarHBondContact O-N 3.44Å; E119-V122 PolarHBondContact O-N 3.28Å; E120-V122 VanDerWaalsContact C-N 3.28Å; E120-V122 PolarHBondContact O-N 2.88Å; V122-L124 VanDerWaalsContact C-N 3.31Å; V122-L124 PolarHBondContact O-N 2.88Å; V122-V125 PolarHBondContact O-N 3.03Å; V122-E126 HydrophobicContact CG1-CG 4.36Å; V122-E126 WeakPolarHBondContact O-CG 3.31Å; V122-E126 PolarHBondContact O-N 2.84Å |
| 123 | V | 84.2 | Confident | 74.5 | Confident | 98 Ų | 98 | 81.4 Ų | 81.4 | 59% | 0.594 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.9 | -42.5 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | E119 E120 E126 G127 | E119-V123 WeakPolarHBondContact O-CG2 3.32Å; E119-V123 PolarHBondContact O-N 2.7Å; E119-V123 VanDerWaalsContact O-N 3.08Å; E120-V123 PolarHBondContact O-N 2.74Å; V123-E126 PolarHBondContact O-N 3.4Å; V123-G127 PolarHBondContact O-N 3.21Å |
| 124 | L | 84.4 | Confident | 72.8 | Confident | 30 Ų | 30 | 84.8 Ų | 84.8 | 16% | 0.157 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 175.9 | -68.3 | 176.5 | 0 | 0 | 0 | 112 | V110 Q113 P115 E120 A121 V122 G127 L128 | V110-L124 HydrophobicContact CG1-CB 4.47Å; V110-L124 HydrophobicContact CG1-CD1 4.34Å; V110-L124 HydrophobicContact CG2-CB 4.31Å; Q113-L124 HydrophobicContact CB-CD1 3.72Å; Q113-L124 HydrophobicContact CB-CD2 4.4Å; Q113-L124 VanDerWaalsContact OE1-CD2 3.28Å; P115-L124 HydrophobicContact CB-CD1 4.21Å; P115-L124 HydrophobicContact CG-CD1 4.43Å; E120-L124 HydrophobicContact CG-CD1 4.49Å; E120-L124 WeakPolarHBondContact O-CG 3.4Å; E120-L124 PolarHBondContact O-N 3.38Å; A121-L124 PolarHBondContact O-N 3.17Å; V122-L124 VanDerWaalsContact C-N 3.31Å; V122-L124 PolarHBondContact O-N 2.88Å; L124-G127 PolarHBondContact O-N 2.96Å; L124-L128 VanDerWaalsContact O-CG 3.3Å; L124-L128 WeakPolarHBondContact O-CG 3.31Å; L124-L128 PolarHBondContact O-N 3.32Å |
| 125 | V | 83.6 | Confident | 71.1 | Confident | 13 Ų | 13 | 89.5 Ų | 89.5 | 8% | 0.079 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 176.6 | 170 | 0 | 0 | 0 | 0 | 111.4 | F98 L102 I106 V110 A121 V122 L128 Q129 | F98-V125 HydrophobicContact CE1-CG2 4.13Å; F98-V125 HydrophobicContact CZ-CG2 4.27Å; L102-V125 HydrophobicContact CD1-CG2 3.72Å; L102-V125 HydrophobicContact CD2-CG1 4.43Å; L102-V125 HydrophobicContact CD2-CG2 3.86Å; L102-V125 HydrophobicContact CG-CG2 4.48Å; I106-V125 HydrophobicContact CG2-CG1 4.29Å; I106-V125 HydrophobicContact CG2-CG2 3.91Å; V110-V125 HydrophobicContact CG2-CG2 3.64Å; A121-V125 WeakPolarHBondContact O-CG2 3.39Å; A121-V125 PolarHBondContact O-N 3.48Å; V122-V125 PolarHBondContact O-N 3.03Å; V125-L128 PolarHBondContact O-N 3.15Å; V125-Q129 WeakPolarHBondContact O-CG 3.47Å; V125-Q129 PolarHBondContact O-N 2.85Å; V125-Q129 VanDerWaalsContact O-N 3.16Å |
| 126 | E | 82.3 | Confident | 69.2 | Low | 78 Ų | 78 | 100.4 Ų | 100.4 | 36% | 0.364 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 177.2 | -73.8 | -171.3 | 176.8 | 0 | 0 | 112.3 | V122 V123 Q129 R130 | V122-E126 HydrophobicContact CG1-CG 4.36Å; V122-E126 WeakPolarHBondContact O-CG 3.31Å; V122-E126 PolarHBondContact O-N 2.84Å; V123-E126 PolarHBondContact O-N 3.4Å; E126-Q129 PolarHBondContact O-N 3.41Å; E126-R130 WeakPolarHBondContact O-CG 3.21Å; E126-R130 PolarHBondContact O-N 3.12Å; E126-R130 IonicContact OE2-NH2 3.79Å |
| 127 | G | 79.4 | Confident | 67.5 | Low | 36 Ų | 36 | 102.2 Ų | 102.2 | 37% | 0.371 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | V123 L124 Q129 R130 E131 | V123-G127 PolarHBondContact O-N 3.21Å; L124-G127 PolarHBondContact O-N 2.96Å; G127-Q129 VanDerWaalsContact C-N 3.29Å; G127-Q129 PolarHBondContact O-N 3.41Å; G127-R130 PolarHBondContact O-N 3.16Å; G127-R130 VanDerWaalsContact O-N 3.13Å; G127-E131 PolarHBondContact O-N 3.42Å |
| 128 | L | 78.3 | Confident | 65.5 | Low | 39 Ų | 39 | 112.5 Ų | 112.5 | 20% | 0.204 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -65.5 | -28.7 | 177.5 | -70.4 | 171.7 | 0 | 0 | 0 | 113.6 | I106 R109 V110 L124 V125 | I106-L128 HydrophobicContact CG2-CD1 4.27Å; R109-L128 HydrophobicContact CB-CD1 3.81Å; R109-L128 HydrophobicContact CB-CD2 4.42Å; V110-L128 HydrophobicContact CG2-CD1 3.82Å; L124-L128 VanDerWaalsContact O-CG 3.3Å; L124-L128 WeakPolarHBondContact O-CG 3.31Å; L124-L128 PolarHBondContact O-N 3.32Å; V125-L128 PolarHBondContact O-N 3.15Å |
| 129 | Q | 67.3 | Low | 63.7 | Low | 133 Ų | 133 | 115.6 Ų | 115.6 | 62% | 0.621 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -76.8 | -22.7 | 175.1 | -71.8 | 179.7 | 41.7 | 0 | 0 | 113.1 | V125 E126 G127 | V125-Q129 WeakPolarHBondContact O-CG 3.47Å; V125-Q129 PolarHBondContact O-N 2.85Å; V125-Q129 VanDerWaalsContact O-N 3.16Å; E126-Q129 PolarHBondContact O-N 3.41Å; G127-Q129 VanDerWaalsContact C-N 3.29Å; G127-Q129 PolarHBondContact O-N 3.41Å |
| 130 | R | 65.4 | Low | 61.8 | Low | 189 Ų | 189 | 116 Ų | 116 | 71% | 0.713 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -87.7 | -12.1 | 178.8 | -69.5 | 177.6 | -175.8 | 157.4 | 10.4 | 113.2 | E126 G127 P132 | E126-R130 WeakPolarHBondContact O-CG 3.21Å; E126-R130 PolarHBondContact O-N 3.12Å; E126-R130 IonicContact OE2-NH2 3.79Å; G127-R130 PolarHBondContact O-N 3.16Å; G127-R130 VanDerWaalsContact O-N 3.13Å; R130-P132 VanDerWaalsContact O-CD 3.29Å; R130-P132 WeakPolarHBondContact O-CD 3.46Å |
| 131 | E | 57 | Low | 59.5 | Low | 131 Ų | 131 | 121.6 Ų | 121.6 | 61% | 0.612 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -65.1 | 113.5 | 171 | -76.9 | -64.5 | 129.8 | 0 | 0 | 110.3 | G127 R133 | G127-E131 PolarHBondContact O-N 3.42Å; E131-R133 PolarHBondContact O-N 3.03Å |
| 132 | P | 47.8 | Very low | 57.4 | Low | 78 Ų | 78 | 129.1 Ų | 129.1 | 51% | 0.506 | 63% | 0.628 | S | S | . | * | trans | -65.9 | 130.7 | -178.7 | 25.4 | -31 | 0 | 0 | 0 | 109.7 | R130 K134 | R130-P132 VanDerWaalsContact O-CD 3.29Å; R130-P132 WeakPolarHBondContact O-CD 3.46Å; P132-K134 HydrophobicContact CB-CG 4.26Å; P132-K134 HydrophobicContact CG-CD 4.24Å; P132-K134 HydrophobicContact CG-CG 4.28Å; P132-K134 PolarHBondContact O-N 3.04Å | ||
| 133 | R | 46.1 | Very low | 55.1 | Low | 246 Ų | 246 | 134.2 Ų | 134.2 | 93% | 0.928 | 65% | 0.652 | S | S | * | * | trans | -54.9 | 73.7 | 170.7 | -70 | 179.2 | 170.4 | 158 | -2.5 | 111.8 | E131 | E131-R133 PolarHBondContact O-N 3.03Š| ||
| 134 | K | 45.4 | Very low | 52.6 | Low | 177 Ų | 177 | 134.4 Ų | 134.4 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | trans | -90.9 | 1.3 | -179.2 | -75.4 | -175.5 | 178.6 | 177.6 | 0 | 114.1 | P132 | P132-K134 HydrophobicContact CB-CG 4.26Å; P132-K134 HydrophobicContact CG-CD 4.24Å; P132-K134 HydrophobicContact CG-CG 4.28Å; P132-K134 PolarHBondContact O-N 3.04Å | ||
| 135 | H | 41.8 | Very low | 50.1 | Low | 192 Ų | 192 | 139.8 Ų | 139.8 | 89% | 0.889 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -127.2 | 38.3 | -176 | -106.8 | -73.5 | 0 | 0 | 0 | 114.8 | ||
| 136 | R | 40.6 | Very low | 47.8 | Very low | 230 Ų | 230 | 145.9 Ų | 145.9 | 87% | 0.868 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -130 | 26.2 | 171.2 | -153.5 | 175.6 | 174.2 | 155.8 | -1.1 | 114.9 | ||
| 137 | Q | 38.8 | Very low | 45.3 | Very low | 194 Ų | 194 | 151 Ų | 151 | 91% | 0.907 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -142 | 71 | 165 | -78.6 | -175.2 | -15.3 | 0 | 0 | 109.7 | ||
| 138 | R | 37.9 | Very low | 43.2 | Very low | 248 Ų | 248 | 154.9 Ų | 154.9 | 94% | 0.936 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -151.9 | 70.5 | 155.7 | -164.2 | 176.3 | -70.6 | -121.9 | 1.2 | 107.8 | ||
| 139 | G | 36.4 | Very low | 41.5 | Very low | 79 Ų | 79 | 158.5 Ų | 158.5 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 174.3 | 42.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 140 | S | 36.6 | Very low | 39.7 | Very low | 111 Ų | 111 | 159.7 Ų | 159.7 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | 175.9 | 86.3 | 159.3 | 175.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 141 | E | 32.4 | Very low | 38.1 | Very low | 200 Ų | 200 | 162.9 Ų | 162.9 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | trans | -168.4 | 107.7 | 141.5 | -107 | 169.9 | 149.9 | 0 | 0 | 108 | ||||
| 142 | L | 38.3 | Very low | 36.8 | Very low | 158 Ų | 158 | 165 Ų | 165 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | -114.9 | 133.7 | 168.6 | -106.2 | 166.5 | 0 | 0 | 0 | 105.3 | ||||
| 143 | L | 32.9 | Very low | 35.8 | Very low | 158 Ų | 158 | 165.1 Ų | 165.1 | 83% | 0.827 | 84% | 0.835 | S | S | * | * | trans | 79.2 | 125.8 | 169.1 | -42.5 | 174.9 | 0 | 0 | 0 | 114.1 | ||||
| 144 | S | 31.4 | Very low | 35.1 | Very low | 102 Ų | 102 | 163.6 Ų | 163.6 | 71% | 0.713 | 83% | 0.829 | S | S | * | * | cis | -165.1 | 148.3 | 35 | -27.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 145 | D | 33.2 | Very low | 34.3 | Very low | 144 Ų | 144 | 163.8 Ų | 163.8 | 77% | 0.77 | 83% | 0.832 | S | S | * | * | trans | 60.8 | 124.3 | 144.4 | -55.7 | -39.3 | 0 | 0 | 0 | 125.2 | ||||
| 146 | D | 35.1 | Very low | 33.7 | Very low | 141 Ų | 141 | 159.4 Ų | 159.4 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | trans | 50.3 | 114.3 | 141.7 | -69.8 | -59.1 | 0 | 0 | 0 | 122.4 | ||||
| 147 | E | 30 | Very low | 33.2 | Very low | 186 Ų | 186 | 155.5 Ų | 155.5 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | 171.7 | 130 | 113.8 | -86.7 | -91.5 | 95.3 | 0 | 0 | 110.2 | |||||
| 148 | V | 34.8 | Very low | 32.8 | Very low | 117 Ų | 117 | 156.5 Ų | 156.5 | 71% | 0.709 | 82% | 0.82 | S | S | * | * | trans | -101 | 141.2 | 175.1 | 171.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 149 | P | 41.7 | Very low | 32.4 | Very low | 115 Ų | 115 | 155.2 Ų | 155.2 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | -150.8 | 131.9 | 98.9 | 30.8 | -8.1 | 0 | 0 | 0 | 117.8 | |||||
| 150 | L | 29.4 | Very low | 32.1 | Very low | 158 Ų | 158 | 160.4 Ų | 160.4 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | 39 | 119 | 130.8 | -59.9 | 169.7 | 0 | 0 | 0 | 119.8 | ||||
| 151 | R | 31.5 | Very low | 31.8 | Very low | 255 Ų | 255 | 158.8 Ų | 158.8 | 96% | 0.962 | 81% | 0.812 | S | S | * | * | -152.6 | 142.8 | 125.1 | -125.3 | 178.6 | -176.8 | -176.2 | 1.5 | 114 | |||||
| 152 | M | 29.7 | Very low | 31.5 | Very low | 176 Ų | 176 | 158.5 Ų | 158.5 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -77.6 | 148.9 | -164.5 | -156.7 | 178 | -82.1 | 0 | 0 | 112.7 | ||||
| 153 | G | 28.3 | Very low | 31 | Very low | 81 Ų | 81 | 155.9 Ų | 155.9 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -168 | 78.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 154 | R | 30.1 | Very low | 30.7 | Very low | 213 Ų | 213 | 157.2 Ų | 157.2 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -66.3 | 144.2 | 175.1 | -75.9 | 170.3 | 154.2 | -175.6 | -6.3 | 112.4 | ||||
| 155 | Q | 29.6 | Very low | 31.5 | Very low | 181 Ų | 181 | 156.7 Ų | 156.7 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | 170.3 | 105 | 120.2 | -89.3 | 162.5 | 67.4 | 0 | 0 | 109 | |||||
| 156 | S | 29.3 | Very low | 31.4 | Very low | 101 Ų | 101 | 158.9 Ų | 158.9 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | 68 | 97.9 | 90 | -67.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 157 | L | 30.1 | Very low | 31 | Very low | 147 Ų | 147 | 158.5 Ų | 158.5 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | 88.1 | 113.5 | 96.7 | -89 | 163.6 | 0 | 0 | 0 | 114.2 | |||||
| 158 | K | 30.5 | Very low | 31.1 | Very low | 215 Ų | 215 | 157.4 Ų | 157.4 | 94% | 0.935 | 81% | 0.811 | S | S | * | * | -159.4 | 121.4 | 116.3 | -109.4 | 171.3 | -178.3 | 178.9 | 0 | 111.2 | |||||
| 159 | R | 30.1 | Very low | 30.7 | Very low | 221 Ų | 221 | 156 Ų | 156 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -79.4 | 152.8 | 163.8 | -71.5 | 176.7 | 172.4 | -122.4 | 0.1 | 109.6 | ||||
| 160 | Q | 30.1 | Very low | 30.3 | Very low | 189 Ų | 189 | 157.8 Ų | 157.8 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | -160.2 | 108.5 | 128.4 | -100.6 | 168.2 | -6.6 | 0 | 0 | 105.4 | |||||
| 161 | A | 29 | Very low | 30.2 | Very low | 76 Ų | 76 | 158 Ų | 158 | 63% | 0.628 | 81% | 0.805 | S | S | * | * | 74.1 | 100.9 | 85.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 162 | E | 27.3 | Very low | 30.1 | Very low | 195 Ų | 195 | 153 Ų | 153 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | 98.9 | 115.2 | 84.4 | -98.2 | 177.1 | 120.1 | 0 | 0 | 111.4 | |||||
| 163 | A | 27 | Very low | 30.1 | Very low | 102 Ų | 102 | 152.1 Ų | 152.1 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | -176.6 | 120.7 | 129.3 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 164 | Q | 27.6 | Very low | 30.2 | Very low | 187 Ų | 187 | 153.3 Ų | 153.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -97.9 | -153.1 | 167.2 | -69.9 | -153.7 | -48.6 | 0 | 0 | 109.7 | ||||
| 165 | P | 46.3 | Very low | 30 | Very low | 91 Ų | 91 | 153.8 Ų | 153.8 | 59% | 0.591 | 79% | 0.79 | S | S | * | * | -130.2 | 176.7 | -96 | 41 | -22.4 | 0 | 0 | 0 | 113.1 | |||||
| 166 | E | 31.5 | Very low | 29.8 | Very low | 190 Ų | 190 | 150.5 Ų | 150.5 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -153.7 | 103.5 | 156.4 | -58.3 | -79.2 | 130.7 | 0 | 0 | 105.1 | ||||
| 167 | D | 27.5 | Very low | 29.8 | Very low | 132 Ų | 132 | 150.7 Ų | 150.7 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | 76.9 | 140.9 | 76.6 | -148.1 | 5.7 | 0 | 0 | 0 | 115.2 | |||||
| 168 | L | 30.9 | Very low | 29.8 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | 136.1 | 70.5 | 166.6 | -68 | -175.7 | 0 | 0 | 0 | 114.8 | ||||
| 169 | S | 27.6 | Very low | 29.7 | Very low | 87 Ų | 87 | 147.2 Ų | 147.2 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | trans | -46.3 | 165.5 | 134.2 | 8.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 170 | L | 32.7 | Very low | 29.7 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | cis | -164.5 | 165.3 | 6.4 | -89.5 | 144.6 | 0 | 0 | 0 | 105.7 | ||||
| 171 | E | 28.6 | Very low | 30.9 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | 156.3 | 157.7 | 89.4 | -78.9 | -165.8 | 143.8 | 0 | 0 | 105 | |||||
| 172 | E | 28.9 | Very low | 31.9 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | cis | -165.7 | 139.7 | -6.4 | -116.9 | -178.7 | 106.2 | 0 | 0 | 106.7 | ||||
| 173 | E | 29.8 | Very low | 32 | Very low | 158 Ų | 158 | 138 Ų | 138 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | 25.1 | 129.2 | 129.7 | -64.2 | -77.6 | 109.7 | 0 | 0 | 121.5 | |||||
| 174 | A | 29.7 | Very low | 32.1 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 88% | 0.884 | 76% | 0.763 | S | S | * | * | 176.4 | 154.5 | 111.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 175 | R | 26.5 | Very low | 32.1 | Very low | 223 Ų | 223 | 138.4 Ų | 138.4 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | trans | -121.1 | 157.5 | -155 | -174.1 | -171.1 | -72.4 | -162.4 | -1.9 | 110.7 | ||||
| 176 | C | 25.5 | Very low | 31.1 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 75% | 0.75 | 75% | 0.754 | S | S | * | * | trans | 104.2 | 107.9 | 142.2 | -129.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 177 | S | 28.7 | Very low | 31 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | 44.5 | 121.9 | 124.1 | -65.4 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 178 | S | 29.9 | Very low | 31.1 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | 62.8 | 114.4 | 116.8 | -166.5 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 179 | Q | 28.9 | Very low | 31.8 | Very low | 192 Ų | 192 | 138.3 Ų | 138.3 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | 174 | 147.1 | 113.2 | -94.4 | 161.2 | 86.6 | 0 | 0 | 113.9 | |||||
| 180 | Q | 30.1 | Very low | 32 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -65.8 | -167.2 | 174.7 | -84.2 | -178.3 | -63.1 | 0 | 0 | 115.2 | ||||
| 181 | P | 55.9 | Low | 31.8 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | -127.9 | -152.4 | -51.1 | 40.2 | -20.7 | 0 | 0 | 0 | 109.5 | |||||
| 182 | P | 48.2 | Very low | 31.6 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | -155.8 | 179.9 | 59.8 | 39.4 | -14.8 | 0 | 0 | 0 | 118.6 | |||||
| 183 | A | 29.7 | Very low | 32 | Very low | 86 Ų | 86 | 134 Ų | 134 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 74.8 | 142.3 | 138.8 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 184 | Q | 29.5 | Very low | 32 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -176.9 | 158.4 | 9.6 | -96.5 | -83.5 | 18.4 | 0 | 0 | 110.7 | ||||
| 185 | L | 27.9 | Very low | 31.8 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | 65.5 | 145 | 145.3 | -67.4 | 160.2 | 0 | 0 | 0 | 121.3 | ||||
| 186 | S | 26.2 | Very low | 31.8 | Very low | 75 Ų | 75 | 138.3 Ų | 138.3 | 52% | 0.524 | 78% | 0.776 | S | S | . | * | cis | 170.1 | 157.6 | -16.6 | 46.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 187 | H | 28.5 | Very low | 32.3 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | 102.1 | 113.5 | 150.8 | -62.3 | -63.6 | 0 | 0 | 0 | 122.4 | ||||
| 188 | R | 28.5 | Very low | 32.2 | Very low | 218 Ų | 218 | 141.1 Ų | 141.1 | 82% | 0.823 | 78% | 0.776 | S | S | * | * | trans | -78.6 | 178.1 | 146.7 | -129.8 | -163.1 | 161.8 | 160.2 | -7.6 | 109.1 | ||||
| 189 | P | 46.3 | Very low | 32 | Very low | 102 Ų | 102 | 147.7 Ų | 147.7 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | cis | -151.6 | 168.9 | 29.4 | 35.2 | -9 | 0 | 0 | 0 | 120.9 | ||||
| 190 | Q | 33 | Very low | 32 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | 57.8 | 135.8 | 137.2 | -70.4 | -168.4 | 83.6 | 0 | 0 | 126.2 | ||||
| 191 | G | 27.3 | Very low | 32.1 | Very low | 79 Ų | 79 | 139.2 Ų | 139.2 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | trans | 152.5 | 118.4 | 147.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 192 | G | 24.2 | Very low | 30.9 | Very low | 77 Ų | 77 | 140.2 Ų | 140.2 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -85.1 | -170.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 193 | P | 38.1 | Very low | 29.8 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | cis | -144.2 | 168.7 | 35.8 | 38.8 | -17.3 | 0 | 0 | 0 | 118.7 | ||||
| 194 | L | 28.6 | Very low | 29.8 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | 27.3 | 127.6 | 148.7 | -59.2 | 169.8 | 0 | 0 | 0 | 122.5 | ||||
| 195 | L | 26.4 | Very low | 29.6 | Very low | 177 Ų | 177 | 145 Ų | 145 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | trans | -179.6 | 135.2 | 131.6 | -90.8 | 161.1 | 0 | 0 | 0 | 110.1 | ||||
| 196 | W | 26 | Very low | 29.5 | Very low | 239 Ų | 239 | 147 Ų | 147 | 91% | 0.905 | 80% | 0.801 | S | S | * | * | trans | -103.5 | 177.1 | 169 | -82.4 | 79.1 | 0 | 0 | 0 | 109.1 | ||||
| 197 | P | 37.2 | Very low | 29.5 | Very low | 101 Ų | 101 | 151.3 Ų | 151.3 | 66% | 0.656 | 81% | 0.813 | S | S | * | * | cis | -129 | 171.2 | -20.4 | 36.6 | -20.7 | 0 | 0 | 0 | 112.6 | ||||
| 198 | E | 25.6 | Very low | 29.3 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | 177.8 | 154.2 | 134.5 | -96.3 | -93.9 | 84 | 0 | 0 | 111.7 | ||||
| 199 | R | 26.7 | Very low | 29.1 | Very low | 237 Ų | 237 | 148.3 Ų | 148.3 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | trans | -76.3 | 148.9 | -160.1 | -64.1 | 166.8 | -179.6 | -145.9 | -2.2 | 114.7 | ||||
| 200 | G | 28.1 | Very low | 28.1 | Very low | 63 Ų | 63 | 147.9 Ų | 147.9 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | trans | -176.7 | 132.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 201 | P | 32.1 | Very low | 27.7 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -87.7 | 137.9 | -175.5 | 34.1 | -29.9 | 0 | 0 | 0 | 111 | ||||
| 202 | P | 30 | Very low | 27.7 | Very low | 128 Ų | 128 | 145.9 Ų | 145.9 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | trans | -112.3 | 149.3 | 162.2 | 33.5 | -22.5 | 0 | 0 | 0 | 113.1 | ||||
| 203 | A | 26.6 | Very low | 27.8 | Very low | 94 Ų | 94 | 147.6 Ų | 147.6 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | trans | -58.9 | 161.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 204 | P | 28.8 | Very low | 27.6 | Very low | 127 Ų | 127 | 147 Ų | 147 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -85.3 | 135.5 | -169.3 | 33.8 | -30.9 | 0 | 0 | 0 | 112 | ||||
| 205 | R | 24.8 | Very low | 27.4 | Very low | 236 Ų | 236 | 148.4 Ų | 148.4 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -130.9 | 127.4 | 156.4 | -82.2 | -170.3 | 175.5 | -154.3 | -0.4 | 109.4 | ||||
| 206 | H | 27 | Very low | 27.6 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | 6.8 | 118.4 | 152.4 | -69.7 | -113.4 | 0 | 0 | 0 | 117.9 | ||||
| 207 | Q | 25.3 | Very low | 27.8 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 77% | 0.771 | 80% | 0.803 | S | S | * | * | -177 | 132.1 | 114.9 | -110 | 176.6 | -38.3 | 0 | 0 | 112.9 | |||||
| 208 | E | 24.9 | Very low | 27.4 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | 57.4 | 99.8 | 134.8 | -69.5 | 173.9 | 131.3 | 0 | 0 | 120.3 | ||||
| 209 | I | 24.4 | Very low | 27.7 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 90% | 0.903 | 82% | 0.816 | S | S | * | * | trans | -85.4 | 106.8 | 152.2 | -59.4 | 170.6 | 0 | 0 | 0 | 107.2 | ||||
| 210 | A | 24.3 | Very low | 28.1 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -110.2 | 103.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 211 | S | 26 | Very low | 28.5 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | 174.8 | 80.6 | 142.4 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 212 | A | 26.3 | Very low | 28.5 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -83.7 | 128.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 213 | S | 27.2 | Very low | 28.9 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -75.9 | 147.5 | 166.8 | -162.5 | 0 | 0 | 0 | 0 | 109.5 | F215 | S213-F215 PolarHBondContact O-N 2.82Š| ||
| 214 | P | 32.4 | Very low | 29.4 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -87.4 | 104.8 | -164.1 | 33.5 | -28.6 | 0 | 0 | 0 | 110.5 | ||
| 215 | F | 26.2 | Very low | 29.6 | Very low | 192 Ų | 192 | 137.9 Ų | 137.9 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | -140.7 | 3.2 | 167 | -150.6 | -100 | 0 | 0 | 0 | 114.8 | S213 | S213-F215 PolarHBondContact O-N 2.82Š| ||
| 216 | L | 29.3 | Very low | 30.1 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | trans | -133.3 | 58.3 | -177.7 | -66.2 | 174.2 | 0 | 0 | 0 | 111.7 | ||||
| 217 | S | 29.7 | Very low | 30.7 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -121 | 38.1 | 170.4 | 66.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 218 | A | 30.5 | Very low | 31.3 | Very low | 89 Ų | 89 | 126.1 Ų | 126.1 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | trans | -138.2 | 18.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 219 | W | 31 | Very low | 32 | Very low | 261 Ų | 261 | 120.5 Ų | 120.5 | 99% | 0.989 | 71% | 0.705 | S | S | * | * | trans | -105.1 | 77.3 | 164.7 | -84.7 | 26.2 | 0 | 0 | 0 | 108.5 | ||||
| 220 | S | 34.9 | Very low | 32.4 | Very low | 93 Ų | 93 | 114.2 Ų | 114.2 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | trans | -135.1 | 119.1 | 165.2 | -160.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 221 | Q | 37.4 | Very low | 33 | Very low | 188 Ų | 188 | 115 Ų | 115 | 88% | 0.879 | 67% | 0.674 | S | S | * | * | trans | 76.4 | 62.4 | 161.6 | -56.9 | 167.1 | 59.1 | 0 | 0 | 118.1 | ||||
| 222 | A | 31 | Very low | 33.3 | Very low | 92 Ų | 92 | 117.7 Ų | 117.7 | 76% | 0.76 | 67% | 0.668 | S | S | * | * | trans | -119.4 | 127.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 223 | P | 39.5 | Very low | 33.4 | Very low | 106 Ų | 106 | 119 Ų | 119 | 69% | 0.688 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 141.6 | 174 | 19.4 | -22.5 | 0 | 0 | 0 | 110.3 | N225 | P223-N225 PolarHBondContact O-N 2.87Š|
| 224 | V | 36.7 | Very low | 33.5 | Very low | 69 Ų | 69 | 117.8 Ų | 117.8 | 42% | 0.418 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 122.9 | 179.6 | -153 | 0 | 0 | 0 | 0 | 109.1 | D228 | V224-D228 HydrophobicContact CG1-CB 3.95Š|
| 225 | N | 32.4 | Very low | 33.8 | Very low | 79 Ų | 79 | 115.5 Ų | 115.5 | 42% | 0.422 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -90.4 | 153.2 | -175.9 | -129.3 | -14.3 | 0 | 0 | 0 | 110 | P223 E227 D228 | P223-N225 PolarHBondContact O-N 2.87Å; N225-E227 PolarHBondContact O-N 3.3Å; N225-D228 WeakPolarHBondContact O-CB 3.28Å; N225-D228 PolarHBondContact O-N 3.36Å |
| 226 | L | 36 | Very low | 34 | Very low | 77 Ų | 77 | 115.1 Ų | 115.1 | 40% | 0.403 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -53 | -23.5 | -178.3 | -168.7 | 67.5 | 0 | 0 | 0 | 113.9 | Q97 D228 V229 A230 | Q97-L226 HydrophobicContact CG-CD2 4.26Å; L226-D228 VanDerWaalsContact C-N 3.26Å; L226-D228 PolarHBondContact O-N 2.9Å; L226-V229 PolarHBondContact O-N 3.17Å; L226-A230 WeakPolarHBondContact O-CB 3.49Å; L226-A230 PolarHBondContact O-N 2.86Å |
| 227 | E | 38.6 | Very low | 33.9 | Very low | 145 Ų | 145 | 116.2 Ų | 116.2 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.3 | -26.6 | 176.6 | -65.2 | 154.7 | 160.9 | 0 | 0 | 112.9 | N225 | N225-E227 PolarHBondContact O-N 3.3Å |
| 228 | D | 37.7 | Very low | 34 | Very low | 113 Ų | 113 | 117.1 Ų | 117.1 | 60% | 0.604 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -83.3 | -24.9 | 178.6 | -66.3 | -41.9 | 0 | 0 | 0 | 112.7 | V224 N225 L226 | V224-D228 HydrophobicContact CG1-CB 3.95Å; N225-D228 WeakPolarHBondContact O-CB 3.28Å; N225-D228 PolarHBondContact O-N 3.36Å; L226-D228 VanDerWaalsContact C-N 3.26Å; L226-D228 PolarHBondContact O-N 2.9Å |
| 229 | V | 39.4 | Very low | 34.3 | Very low | 42 Ų | 42 | 115.3 Ų | 115.3 | 26% | 0.255 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -96.8 | -29.7 | -179.6 | -177.8 | 0 | 0 | 0 | 0 | 112 | F53 L226 V231 Y232 | F53-V229 HydrophobicContact CZ-CG2 4.39Å; L226-V229 PolarHBondContact O-N 3.17Å; V229-V231 PolarHBondContact O-N 3.47Å; V229-V231 VanDerWaalsContact O-N 3.13Å; V229-Y232 PolarHBondContact O-N 3.46Å |
| 230 | A | 33.3 | Very low | 34.1 | Very low | 43 Ų | 43 | 108 Ų | 108 | 36% | 0.355 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -65.6 | -16 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | L226 Y232 S234 | L226-A230 WeakPolarHBondContact O-CB 3.49Å; L226-A230 PolarHBondContact O-N 2.86Å; A230-Y232 PolarHBondContact O-N 3.19Å; A230-S234 PolarHBondContact O-N 2.94Å; A230-S234 PolarHBondContact O-OG 3.34Å |
| 231 | V | 36.5 | Very low | 33.7 | Very low | 110 Ų | 110 | 111.9 Ų | 111.9 | 67% | 0.667 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -68.3 | -17 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 112.8 | V229 | V229-V231 PolarHBondContact O-N 3.47Å; V229-V231 VanDerWaalsContact O-N 3.13Å |
| 232 | Y | 33.1 | Very low | 33.2 | Very low | 167 Ų | 167 | 108.7 Ų | 108.7 | 66% | 0.655 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -94.9 | -12.1 | -177.3 | -96.7 | -91.9 | 0 | 0 | 0 | 115.8 | V229 A230 | V229-Y232 PolarHBondContact O-N 3.46Å; A230-Y232 PolarHBondContact O-N 3.19Å |
| 233 | L | 27.5 | Very low | 33.1 | Very low | 132 Ų | 132 | 109.8 Ų | 109.8 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.5 | -1.8 | -178.3 | -69.1 | 174.8 | 0 | 0 | 0 | 115.5 | G235 | L233-G235 PolarHBondContact O-N 3.07Å; L233-G235 VanDerWaalsContact O-N 3.16Å |
| 234 | S | 30.8 | Very low | 32.6 | Very low | 88 Ų | 88 | 108.5 Ų | 108.5 | 62% | 0.615 | 63% | 0.63 | S | S | * | * | trans | -87.7 | 82.5 | 172 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | A230 | A230-S234 PolarHBondContact O-N 2.94Å; A230-S234 PolarHBondContact O-OG 3.34Å | ||
| 235 | G | 37.6 | Very low | 32.3 | Very low | 65 Ų | 65 | 112.7 Ų | 112.7 | 67% | 0.67 | 65% | 0.645 | S | S | * | * | trans | -58 | 132.8 | 140.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | L233 | L233-G235 PolarHBondContact O-N 3.07Å; L233-G235 VanDerWaalsContact O-N 3.16Å | ||
| 236 | E | 30.7 | Very low | 32.1 | Very low | 183 Ų | 183 | 119.9 Ų | 119.9 | 86% | 0.855 | 67% | 0.666 | S | S | * | * | trans | 97.2 | 97.4 | 170.6 | -49.1 | -172.9 | 127.5 | 0 | 0 | 116.9 | ||||
| 237 | E | 27.1 | Very low | 31.7 | Very low | 181 Ų | 181 | 123.9 Ų | 123.9 | 85% | 0.846 | 69% | 0.688 | S | S | * | * | trans | -128.7 | 107.9 | 151.4 | -85.5 | -84.1 | 129.9 | 0 | 0 | 106.6 | G239 | E237-G239 PolarHBondContact O-N 3.45Š| ||
| 238 | P | 32.9 | Very low | 31.2 | Very low | 136 Ų | 136 | 123.2 Ų | 123.2 | 88% | 0.883 | 69% | 0.694 | S | S | * | * | trans | -96.4 | 77.5 | 165.6 | 33.9 | -25.1 | 0 | 0 | 0 | 108.7 | ||||
| 239 | G | 35.3 | Very low | 30.7 | Very low | 52 Ų | 52 | 123.6 Ų | 123.6 | 54% | 0.536 | 70% | 0.702 | S | S | . | * | trans | -131.2 | 24.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | E237 | E237-G239 PolarHBondContact O-N 3.45Š| ||
| 240 | C | 28.5 | Very low | 30.1 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 72% | 0.723 | 73% | 0.73 | S | S | * | * | trans | -153 | 75.7 | 173.9 | -84.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 241 | L | 26.1 | Very low | 30 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 91% | 0.911 | 75% | 0.754 | S | S | * | * | trans | -127 | 138.6 | 156.7 | -72.6 | 177.1 | 0 | 0 | 0 | 109.8 | ||||
| 242 | D | 26.5 | Very low | 29.6 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | trans | -57.6 | 124.8 | -179.3 | -169 | -28.1 | 0 | 0 | 0 | 111.5 | A244 | D242-A244 PolarHBondContact O-N 2.97Å; D242-A244 WeakPolarHBondContact OD1-CB 3.49Å; D242-A244 PolarHBondContact OD1-N 2.93Å | ||
| 243 | P | 29.3 | Very low | 29.4 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -71.6 | -0.6 | 176.9 | 25.7 | -30.9 | 0 | 0 | 0 | 114.8 | Q245 | P243-Q245 VanDerWaalsContact C-N 3.27Å; P243-Q245 PolarHBondContact O-N 3.47Å; P243-Q245 VanDerWaalsContact O-N 3.17Å |
| 244 | A | 28.2 | Very low | 29.3 | Very low | 79 Ų | 79 | 136 Ų | 136 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 21.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116 | D242 | D242-A244 PolarHBondContact O-N 2.97Å; D242-A244 WeakPolarHBondContact OD1-CB 3.49Å; D242-A244 PolarHBondContact OD1-N 2.93Å |
| 245 | Q | 30.1 | Very low | 29.1 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.3 | 13.2 | -177.7 | -72 | -97.7 | -83.9 | 0 | 0 | 114.6 | P243 | P243-Q245 VanDerWaalsContact C-N 3.27Å; P243-Q245 PolarHBondContact O-N 3.47Å; P243-Q245 VanDerWaalsContact O-N 3.17Å |
| 246 | R | 29.9 | Very low | 28.3 | Very low | 230 Ų | 230 | 141 Ų | 141 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -109.1 | 101.6 | 171 | -86.1 | -177.7 | 158.3 | 169.5 | -5.9 | 109.6 | ||||
| 247 | D | 26.2 | Very low | 28.1 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -166.3 | 92.7 | 149.7 | -85.3 | -35.9 | 0 | 0 | 0 | 108.7 | ||||
| 248 | V | 28.3 | Very low | 28 | Very low | 132 Ų | 132 | 140 Ų | 140 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -142.3 | 116.6 | 151.7 | -177.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 249 | P | 28.1 | Very low | 27.7 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -70.7 | 134.5 | 173.8 | -8.4 | 24.2 | 0 | 0 | 0 | 109.3 | ||||
| 250 | L | 27.2 | Very low | 27.2 | Very low | 161 Ų | 161 | 147 Ų | 147 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -110 | 93.7 | 162.1 | -135.9 | 87.5 | 0 | 0 | 0 | 107.1 | ||||
| 251 | E | 29.8 | Very low | 27.1 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -71.8 | 125.7 | 151.6 | -65.6 | 177.9 | 125.3 | 0 | 0 | 106.4 | ||||
| 252 | N | 27.7 | Very low | 27 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -154.8 | 113.8 | 144 | -135.8 | 14.5 | 0 | 0 | 0 | 110.1 | ||||
| 253 | E | 29.8 | Very low | 27 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | trans | -67.7 | 149.8 | 164.9 | -63.1 | -135.2 | 118.2 | 0 | 0 | 110.9 | ||||
| 254 | G | 24.9 | Very low | 26.8 | Very low | 69 Ų | 69 | 146.1 Ų | 146.1 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | 75.3 | 97.6 | 140.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 255 | L | 26.2 | Very low | 26.7 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 95% | 0.953 | 83% | 0.827 | S | S | * | * | -147.6 | 111.4 | 118.7 | -79.5 | -172.8 | 0 | 0 | 0 | 108.2 | |||||
| 256 | G | 22.6 | Very low | 26.7 | Very low | 75 Ų | 75 | 149.3 Ų | 149.3 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | trans | -77.9 | 145.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 257 | I | 26 | Very low | 26.7 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 92% | 0.918 | 84% | 0.835 | S | S | * | * | trans | -138.1 | 133.6 | 146.5 | -49.2 | -180 | 0 | 0 | 0 | 105.8 | ||||
| 258 | Q | 24.3 | Very low | 26.7 | Very low | 165 Ų | 165 | 147.6 Ų | 147.6 | 77% | 0.771 | 84% | 0.837 | S | S | * | * | trans | -103.4 | 154.8 | -167.7 | -119.1 | -176.6 | 34.8 | 0 | 0 | 110.5 | ||||
| 259 | L | 25.8 | Very low | 26.6 | Very low | 149 Ų | 149 | 145.7 Ų | 145.7 | 78% | 0.78 | 84% | 0.835 | S | S | * | * | trans | 83.3 | 137.4 | 159.5 | -55.9 | 158.1 | 0 | 0 | 0 | 115.2 | ||||
| 260 | E | 25.8 | Very low | 26.8 | Very low | 187 Ų | 187 | 146 Ų | 146 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | cis | -149.9 | 153.3 | 35.8 | -68.8 | 176.8 | 150.7 | 0 | 0 | 113.8 | ||||
| 261 | D | 26.5 | Very low | 27.2 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 94% | 0.941 | 84% | 0.836 | S | S | * | * | trans | -65.8 | 149.1 | 169.8 | -87.1 | -62 | 0 | 0 | 0 | 113.5 | ||||
| 262 | G | 24.8 | Very low | 27.4 | Very low | 81 Ų | 81 | 143.8 Ų | 143.8 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | 178.3 | 90.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 263 | G | 25.1 | Very low | 27.8 | Very low | 78 Ų | 78 | 143.2 Ų | 143.2 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -89.1 | 173.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 264 | D | 25.2 | Very low | 27.9 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | 88.1 | 122.8 | 168 | -150.9 | 21.8 | 0 | 0 | 0 | 117.8 | ||||
| 265 | G | 26 | Very low | 28.4 | Very low | 68 Ų | 68 | 141.9 Ų | 141.9 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | 169.3 | 65.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | E267 | G265-E267 PolarHBondContact O-N 3.25Š| ||
| 266 | R | 31.6 | Very low | 28.5 | Very low | 234 Ų | 234 | 139.7 Ų | 139.7 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -53.2 | 120.4 | 163.5 | -85.8 | 170.2 | 153.2 | 174 | -6.8 | 109.8 | ||||
| 267 | E | 27.8 | Very low | 29 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | -133.9 | 126.7 | 156.3 | -67.3 | -168.5 | 120.4 | 0 | 0 | 109 | G265 A269 | G265-E267 PolarHBondContact O-N 3.25Å; E267-A269 PolarHBondContact O-N 3.09Å | ||
| 268 | D | 26.9 | Very low | 29.5 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 122 | -174.5 | -67.9 | -68.1 | 0 | 0 | 0 | 112.7 | ||
| 269 | A | 26.5 | Very low | 29.9 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 130.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | E267 | E267-A269 PolarHBondContact O-N 3.09Š|
| 270 | P | 31.9 | Very low | 30.2 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 135.2 | 178.7 | 30.2 | -30.9 | 0 | 0 | 0 | 111.2 | R272 | P270-R272 PolarHBondContact O-N 2.91Å; P270-R272 VanDerWaalsContact O-N 3.07Å |
| 271 | V | 35.8 | Very low | 30.6 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 83% | 0.83 | 73% | 0.729 | S | S | * | * | trans | -53.8 | 103 | 172 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 272 | R | 34.4 | Very low | 30.9 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | trans | -157.5 | 83.4 | 165.8 | -143.6 | 174.2 | -179.9 | -153.7 | -4.8 | 111.7 | E119 P270 | E119-R272 IonicContact OE1-CZ 2.82Å; E119-R272 IonicContact OE1-NE 3.04Å; E119-R272 PolarHBondContact OE1-NE 3.22Å; E119-R272 VanDerWaalsContact OE1-NE 3.08Å; E119-R272 IonicContact OE1-NH2 2.96Å; E119-R272 PolarHBondContact OE1-NH2 3.29Å; P270-R272 PolarHBondContact O-N 2.91Å; P270-R272 VanDerWaalsContact O-N 3.07Å | ||
| 273 | M | 34.9 | Very low | 31.2 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | trans | -175.3 | 52.2 | 159.9 | -103.3 | -159 | -84.5 | 0 | 0 | 111.8 | ||||
| 274 | E | 32.6 | Very low | 31.7 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 54% | 0.542 | 73% | 0.731 | S | S | . | * | trans | -92.3 | -23.3 | 177.7 | -153.2 | 73.9 | -130 | 0 | 0 | 112.8 | Y276 R277 | E274-Y276 PolarHBondContact O-N 2.9Å; E274-R277 PolarHBondContact O-N 3.05Å; E274-R277 IonicContact OE1-CZ 3.08Å; E274-R277 IonicContact OE1-NH1 3.62Å; E274-R277 PolarHBondContact OE1-NH1 3.47Å; E274-R277 IonicContact OE2-NH1 2.83Å | ||
| 275 | W | 34.8 | Very low | 31.8 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 42% | 0.417 | 73% | 0.726 | S | S | . | * | H | α-helix | trans | -72.5 | -27.6 | -172.2 | 70.8 | -102.2 | 0 | 0 | 0 | 114.3 | R277 V278 L279 | W275-R277 PolarHBondContact O-N 3.44Å; W275-V278 PolarHBondContact O-N 3.31Å; W275-L279 HydrophobicContact CE3-CD1 4.01Å; W275-L279 HydrophobicContact CZ3-CD1 3.81Å |
| 276 | Y | 28.8 | Very low | 32.2 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 54% | 0.537 | 73% | 0.734 | S | S | . | * | H | α-helix | trans | -64.7 | -23.1 | 175.7 | -101.2 | -82.9 | 0 | 0 | 0 | 113.2 | E274 S280 | E274-Y276 PolarHBondContact O-N 2.9Å; Y276-S280 PolarHBondContact O-N 3.42Å; Y276-S280 PolarHBondContact O-OG 3.43Å |
| 277 | R | 34.3 | Very low | 32.1 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 63% | 0.63 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -75.6 | -31.2 | 176.8 | -69.8 | -176.7 | 177.9 | 148.2 | -0.8 | 112.4 | E274 W275 S280 A281 | E274-R277 PolarHBondContact O-N 3.05Å; E274-R277 IonicContact OE1-CZ 3.08Å; E274-R277 IonicContact OE1-NH1 3.62Å; E274-R277 PolarHBondContact OE1-NH1 3.47Å; E274-R277 IonicContact OE2-NH1 2.83Å; W275-R277 PolarHBondContact O-N 3.44Å; R277-S280 PolarHBondContact O-N 3.44Å; R277-A281 PolarHBondContact O-N 3.12Å |
| 278 | V | 36.2 | Very low | 32.1 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 65% | 0.648 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -69.4 | -37 | -179.8 | -179.7 | 0 | 0 | 0 | 0 | 111.5 | W275 | W275-V278 PolarHBondContact O-N 3.31Å |
| 279 | L | 33 | Very low | 32.4 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 63% | 0.628 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -76.4 | -24.5 | 177.1 | -77.4 | 163.9 | 0 | 0 | 0 | 113.5 | W275 | W275-L279 HydrophobicContact CE3-CD1 4.01Å; W275-L279 HydrophobicContact CZ3-CD1 3.81Å |
| 280 | S | 32 | Very low | 32.6 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -84.1 | -14.3 | -179.4 | -58 | 0 | 0 | 0 | 0 | 113.7 | Y276 R277 | Y276-S280 PolarHBondContact O-N 3.42Å; Y276-S280 PolarHBondContact O-OG 3.43Å; R277-S280 PolarHBondContact O-N 3.44Å |
| 281 | A | 32.4 | Very low | 32.6 | Very low | 85 Ų | 85 | 133.4 Ų | 133.4 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 8.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R277 | R277-A281 PolarHBondContact O-N 3.12Š|
| 282 | R | 34.5 | Very low | 32.5 | Very low | 227 Ų | 227 | 129.9 Ų | 129.9 | 86% | 0.857 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | 20.4 | -176.5 | -157.2 | 159.5 | -179.3 | 167.3 | 0.6 | 116.6 | ||
| 283 | C | 30.6 | Very low | 32.3 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | trans | -122.3 | 50.8 | 174.6 | -72.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 284 | Q | 34.4 | Very low | 32.1 | Very low | 203 Ų | 203 | 136.2 Ų | 136.2 | 95% | 0.949 | 74% | 0.739 | S | S | * | * | trans | -143.5 | 104.1 | 162.8 | -63.9 | -174.3 | 30.9 | 0 | 0 | 110.4 | ||||
| 285 | G | 27.4 | Very low | 31.9 | Very low | 73 Ų | 73 | 136.6 Ų | 136.6 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | 176.5 | 147.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 286 | P | 35.2 | Very low | 31.7 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | trans | -101.4 | 148.3 | -132.4 | 36.1 | -33 | 0 | 0 | 0 | 115.8 | ||||
| 287 | G | 30.1 | Very low | 31.9 | Very low | 71 Ų | 71 | 135.2 Ų | 135.2 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | 74.1 | 124.2 | 133.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 288 | H | 26.8 | Very low | 31.8 | Very low | 188 Ų | 188 | 134.4 Ų | 134.4 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | 93.6 | 152.5 | 148.3 | -97.1 | -82.8 | 0 | 0 | 0 | 119.9 | ||||
| 289 | P | 32.9 | Very low | 31.8 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | -115 | 162.7 | -87.9 | 38.4 | -25.9 | 0 | 0 | 0 | 114.1 | |||||
| 290 | L | 31.3 | Very low | 31.9 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 140.1 | 175.7 | -65.9 | 167.4 | 0 | 0 | 0 | 112.5 | ||
| 291 | P | 31.2 | Very low | 32.2 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 124.1 | 156.9 | 30.1 | -20.9 | 0 | 0 | 0 | 109.7 | ||
| 292 | G | 34.8 | Very low | 32.2 | Very low | 64 Ų | 64 | 145.7 Ų | 145.7 | 66% | 0.66 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 146 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 293 | Q | 29.1 | Very low | 32 | Very low | 195 Ų | 195 | 145 Ų | 145 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | -175.3 | 117.2 | 127.9 | -98 | 169.8 | 88.6 | 0 | 0 | 108.7 | |||||
| 294 | R | 32.3 | Very low | 32.3 | Very low | 243 Ų | 243 | 144.1 Ų | 144.1 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 141.1 | 162 | -80 | -177.6 | 174.8 | -169.3 | -1.7 | 108.2 | ||
| 295 | P | 28.2 | Very low | 32.5 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 145.5 | 152.6 | 14.1 | -1.1 | 0 | 0 | 0 | 110.1 | ||
| 296 | A | 30.7 | Very low | 32.8 | Very low | 95 Ų | 95 | 145.7 Ų | 145.7 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 150.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 297 | P | 32.2 | Very low | 32.9 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 137.6 | 170.8 | 31.4 | -30.5 | 0 | 0 | 0 | 111.5 | R299 | P297-R299 PolarHBondContact O-N 3.42Š|
| 298 | V | 32.1 | Very low | 33.5 | Very low | 151 Ų | 151 | 153.5 Ų | 153.5 | 92% | 0.915 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 126.8 | 164.2 | -120.1 | 0 | 0 | 0 | 0 | 109.1 | ||
| 299 | R | 37.3 | Very low | 33.7 | Very low | 254 Ų | 254 | 148.4 Ų | 148.4 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 145.2 | -175.5 | -78.4 | 174.5 | 161.7 | -178.6 | -5.3 | 112.7 | P297 | P297-R299 PolarHBondContact O-N 3.42Š|
| 300 | G | 34.6 | Very low | 33.5 | Very low | 74 Ų | 74 | 146.9 Ų | 146.9 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | 151 | 46.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 301 | L | 38.4 | Very low | 34.5 | Very low | 176 Ų | 176 | 144.6 Ų | 144.6 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -140.2 | 117.1 | 158.9 | -100.5 | 138.2 | 0 | 0 | 0 | 108.3 | R303 | L301-R303 PolarHBondContact O-N 2.82Å; L301-R303 VanDerWaalsContact O-N 3.14Å | ||
| 302 | V | 32.9 | Very low | 34.7 | Very low | 139 Ų | 139 | 147.5 Ų | 147.5 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | trans | -64.3 | 110.6 | -173.7 | 173.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 303 | R | 30.6 | Very low | 35.2 | Very low | 212 Ų | 212 | 149.8 Ų | 149.8 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | trans | -86 | 103 | 161 | -133.8 | -178.3 | -179.4 | -162.3 | -0.2 | 106.1 | L301 E305 | L301-R303 PolarHBondContact O-N 2.82Å; L301-R303 VanDerWaalsContact O-N 3.14Å; R303-E305 IonicContact NH1-OE1 3.22Å; R303-E305 PolarHBondContact O-N 3.11Å; R303-E305 VanDerWaalsContact O-N 3.17Å | ||
| 304 | S | 36.7 | Very low | 35.8 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | trans | -75.3 | 98.7 | 171.3 | 44.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 305 | E | 37.3 | Very low | 36 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | -79.6 | 128.7 | 166.5 | -60.2 | -71.5 | 152.3 | 0 | 0 | 108.6 | R303 | R303-E305 IonicContact NH1-OE1 3.22Å; R303-E305 PolarHBondContact O-N 3.11Å; R303-E305 VanDerWaalsContact O-N 3.17Å | ||
| 306 | L | 33.3 | Very low | 36.3 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -129.2 | 148.3 | 167.9 | -93.5 | 161.4 | 0 | 0 | 0 | 109.9 | ||||
| 307 | P | 39.1 | Very low | 36.6 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | trans | -86.4 | 158.4 | -167.6 | 21 | -8.3 | 0 | 0 | 0 | 113.7 | ||||
| 308 | R | 42.5 | Very low | 37.1 | Very low | 257 Ų | 257 | 142 Ų | 142 | 97% | 0.97 | 82% | 0.824 | S | S | * | * | trans | -65 | 134.7 | 173.9 | -71.2 | -177.3 | -174.3 | -154.7 | 0.6 | 112.1 | ||||
| 309 | G | 30.1 | Very low | 37.6 | Very low | 80 Ų | 80 | 143.5 Ų | 143.5 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 162.1 | 117.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 310 | G | 29 | Very low | 38.1 | Very low | 77 Ų | 77 | 135.2 Ų | 135.2 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | 113 | 130 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 311 | P | 52.3 | Low | 39 | Very low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | -98.7 | 142.7 | -174.3 | 37.2 | -29.8 | 0 | 0 | 0 | 113 | ||||
| 312 | Q | 35 | Very low | 40.6 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -168.9 | 161.5 | 152.7 | -93.9 | -41.6 | -7.2 | 0 | 0 | 109.6 | ||||
| 313 | P | 45.8 | Very low | 42.9 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -116.6 | 171.7 | -134.7 | 32.5 | -12.9 | 0 | 0 | 0 | 113.1 | ||||
| 314 | G | 41.4 | Very low | 45.5 | Very low | 70 Ų | 70 | 125.6 Ų | 125.6 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 78.4 | 87 | 153.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 315 | R | 36.9 | Very low | 48.1 | Very low | 249 Ų | 249 | 125 Ų | 125 | 94% | 0.94 | 74% | 0.743 | S | S | * | * | trans | -157.6 | 130.3 | 135.1 | -101.8 | 158.6 | -147.3 | -95.6 | 5.2 | 107.9 | ||||
| 316 | G | 33.6 | Very low | 50.7 | Low | 77 Ų | 77 | 122.3 Ų | 122.3 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | trans | -49.9 | 134.3 | -163.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S318 | G316-S318 PolarHBondContact O-N 3.41Å; G316-S318 VanDerWaalsContact O-N 3.08Å | ||
| 317 | A | 38.2 | Very low | 53.5 | Low | 109 Ų | 109 | 114.7 Ų | 114.7 | 90% | 0.901 | 70% | 0.696 | S | S | * | * | trans | -56.2 | 109.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 318 | S | 41.3 | Very low | 55.8 | Low | 112 Ų | 112 | 114.3 Ų | 114.3 | 78% | 0.783 | 69% | 0.694 | S | S | * | * | trans | -99.2 | 127.3 | 158.9 | -176.5 | 0 | 0 | 0 | 0 | 106.2 | G316 G320 | G316-S318 PolarHBondContact O-N 3.41Å; G316-S318 VanDerWaalsContact O-N 3.08Å; S318-G320 PolarHBondContact O-N 3.34Å; S318-G320 VanDerWaalsContact O-N 3.13Å | ||
| 319 | H | 43.8 | Very low | 58.1 | Low | 182 Ų | 182 | 107.8 Ų | 107.8 | 84% | 0.843 | 67% | 0.674 | S | S | * | * | trans | -40 | 118.3 | 179.2 | -76.9 | -90.9 | 0 | 0 | 0 | 111.8 | T321 | H319-T321 PolarHBondContact O-N 3.29Š| ||
| 320 | G | 46.2 | Very low | 61 | Low | 80 Ų | 80 | 106.5 Ų | 106.5 | 83% | 0.825 | 65% | 0.653 | S | S | * | * | trans | -63.3 | 92.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S318 D322 | S318-G320 PolarHBondContact O-N 3.34Å; S318-G320 VanDerWaalsContact O-N 3.13Å; G320-D322 VanDerWaalsContact C-N 3.29Å; G320-D322 PolarHBondContact O-N 3.1Å | ||
| 321 | T | 55 | Low | 63.8 | Low | 91 Ų | 91 | 105.6 Ų | 105.6 | 56% | 0.558 | 64% | 0.643 | S | S | * | * | trans | -76.1 | 94.4 | 149.1 | 51.5 | 0 | 0 | 0 | 0 | 105.7 | H319 K323 | H319-T321 PolarHBondContact O-N 3.29Å; T321-K323 PolarHBondContact O-N 3.36Å; T321-K323 WeakPolarHBondContact OG1-CE 3.2Å | ||
| 322 | D | 71.1 | Confident | 65.6 | Low | 131 Ų | 131 | 105.9 Ų | 105.9 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | trans | -56.9 | 107.4 | 171 | -164.9 | -10.8 | 0 | 0 | 0 | 107 | G320 P324 | G320-D322 VanDerWaalsContact C-N 3.29Å; G320-D322 PolarHBondContact O-N 3.1Å; D322-P324 WeakPolarHBondContact O-CD 3.43Å; D322-P324 WeakPolarHBondContact OD1-CD 3.27Å | ||
| 323 | K | 81.5 | Confident | 68.4 | Low | 104 Ų | 104 | 98.2 Ų | 98.2 | 45% | 0.452 | 60% | 0.603 | S | S | . | * | trans | -110.5 | 71.8 | 178.1 | -77.1 | 168.7 | -178.9 | 173.9 | 0 | 106.2 | T321 Y325 F334 | T321-K323 PolarHBondContact O-N 3.36Å; T321-K323 WeakPolarHBondContact OG1-CE 3.2Å; K323-Y325 PolarHBondContact O-N 3.08Å; K323-Y325 VanDerWaalsContact O-N 3.11Å; K323-F334 CarbonylContact C-O 3.51Å; K323-F334 WeakPolarHBondContact CA-O 3.28Å | ||
| 324 | P | 86.4 | Confident | 70.6 | Confident | 74 Ų | 74 | 94.8 Ų | 94.8 | 48% | 0.481 | 58% | 0.576 | S | S | . | * | trans | -67.9 | -15.1 | -170 | 27.2 | -35.6 | 0 | 0 | 0 | 112.4 | D322 | D322-P324 WeakPolarHBondContact O-CD 3.43Å; D322-P324 WeakPolarHBondContact OD1-CD 3.27Å | ||
| 325 | Y | 89.9 | Confident | 73 | Confident | 92 Ų | 92 | 94.8 Ų | 94.8 | 36% | 0.361 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.9 | 105.6 | -177.9 | -54.3 | -71.6 | 0 | 0 | 0 | 110.7 | K323 G333 F334 K336 T337 | K323-Y325 PolarHBondContact O-N 3.08Å; K323-Y325 VanDerWaalsContact O-N 3.11Å; Y325-G333 CarbonylContact O-C 3.33Å; Y325-G333 WeakPolarHBondContact O-CA 3.41Å; Y325-F334 WeakPolarHBondContact CB-O 3.06Å; Y325-F334 PolarHBondContact N-O 3.33Å; Y325-F334 PolarHBondContact O-N 3.21Å; Y325-K336 VanDerWaalsContact CD2-C 3.47Å; Y325-T337 HydrophobicContact CD1-CG2 4.42Å; Y325-T337 HydrophobicContact CE1-CG2 4.47Å; Y325-T337 WeakPolarHBondContact CE1-OG1 3.32Å; Y325-T337 PolarHBondContact OH-OG1 2.96Å |
| 326 | T | 91.6 | Very high | 75.5 | Confident | 89 Ų | 89 | 88.7 Ų | 88.7 | 55% | 0.546 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 141.3 | 179.5 | 50.6 | 0 | 0 | 0 | 0 | 111.5 | K332 | T326-K332 CarbonylContact C-O 3.32Å; T326-K332 WeakPolarHBondContact CA-O 3.21Å |
| 327 | C | 92.8 | Very high | 78.3 | Confident | 2 Ų | 2 | 88.2 Ų | 88.2 | 1% | 0.014 | 53% | 0.528 | C | S | . | . | trans | -76.7 | 123.7 | 173.6 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | E329 C330 G331 K332 F334 L340 H343 H347 | C327-E329 VanDerWaalsContact C-N 3.26Å; C327-E329 PolarHBondContact O-N 2.91Å; C327-C330 VanDerWaalsContact SG-SG 3.68Å; C327-G331 WeakPolarHBondContact O-CA 3.27Å; C327-G331 PolarHBondContact O-N 3.38Å; C327-K332 PolarHBondContact N-O 3.43Å; C327-F334 HydrophobicContact CB-CE2 4.17Å; C327-L340 HydrophobicContact CB-CD1 3.71Å; C327-H343 PolarHBondContact SG-NE2 3.18Å; C327-H343 VanDerWaalsContact SG-NE2 3.37Å; C327-H347 PolarHBondContact SG-NE2 3.33Å; C327-H347 VanDerWaalsContact SG-NE2 3.39Å | ||
| 328 | P | 88.3 | Confident | 80.6 | Confident | 106 Ų | 106 | 86.1 Ų | 86.1 | 69% | 0.688 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -27.6 | -179.4 | 26.3 | -33.6 | 0 | 0 | 0 | 112.8 | ||
| 329 | E | 89.6 | Confident | 82.9 | Confident | 119 Ų | 119 | 84 Ų | 84 | 56% | 0.556 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -31.1 | -174.5 | -63.8 | 178.4 | -133.5 | 0 | 0 | 113.6 | C327 H347 | C327-E329 VanDerWaalsContact C-N 3.26Å; C327-E329 PolarHBondContact O-N 2.91Å; E329-H347 WeakPolarHBondContact OE2-CB 3.46Å; E329-H347 IonicContact OE2-CD2 3.41Å; E329-H347 IonicContact OE2-CG 3.41Å; E329-H347 IonicContact OE2-ND1 3.2Å |
| 330 | C | 91.4 | Very high | 85.2 | Confident | 54 Ų | 54 | 76.2 Ų | 76.2 | 37% | 0.365 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.2 | 4.8 | -176.6 | 75.6 | 0 | 0 | 0 | 0 | 114.8 | C327 K332 H343 | C327-C330 VanDerWaalsContact SG-SG 3.68Å; C330-K332 PolarHBondContact O-N 3.09Å; C330-K332 VanDerWaalsContact O-N 3.08Å; C330-H343 PolarHBondContact SG-NE2 3.07Å |
| 331 | G | 87.9 | Confident | 87.2 | Confident | 57 Ų | 57 | 75.2 Ų | 75.2 | 59% | 0.588 | 43% | 0.427 | S | S | * | . | trans | 68.9 | 1.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | C327 G333 | C327-G331 WeakPolarHBondContact O-CA 3.27Å; C327-G331 PolarHBondContact O-N 3.38Å; G331-G333 PolarHBondContact O-N 2.85Å | ||
| 332 | K | 90.9 | Very high | 88.8 | Confident | 128 Ų | 128 | 75 Ų | 75 | 56% | 0.557 | 42% | 0.418 | S | S | * | . | trans | -66.8 | 127.7 | -179.1 | -75.6 | -178.3 | -179.2 | 176.7 | 0 | 111.4 | T326 C327 C330 F334 | T326-K332 CarbonylContact C-O 3.32Å; T326-K332 WeakPolarHBondContact CA-O 3.21Å; C327-K332 PolarHBondContact N-O 3.43Å; C330-K332 PolarHBondContact O-N 3.09Å; C330-K332 VanDerWaalsContact O-N 3.08Å; K332-F334 HydrophobicContact CB-CE2 3.85Å; K332-F334 HydrophobicContact CB-CZ 3.97Å; K332-F334 WeakPolarHBondContact O-CD2 3.41Å; K332-F334 WeakPolarHBondContact O-CE2 3.37Å | ||
| 333 | G | 92.2 | Very high | 89.7 | Confident | 26 Ų | 26 | 70 Ų | 70 | 27% | 0.268 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 142.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y325 G331 | Y325-G333 CarbonylContact O-C 3.33Å; Y325-G333 WeakPolarHBondContact O-CA 3.41Å; G331-G333 PolarHBondContact O-N 2.85Å |
| 334 | F | 92.3 | Very high | 90.1 | Very high | 38 Ų | 38 | 68 Ų | 68 | 17% | 0.167 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145.6 | 179.7 | -59.3 | -86.7 | 0 | 0 | 0 | 110 | K323 Y325 C327 K332 H339 L340 H343 | K323-F334 CarbonylContact C-O 3.51Å; K323-F334 WeakPolarHBondContact CA-O 3.28Å; Y325-F334 WeakPolarHBondContact CB-O 3.06Å; Y325-F334 PolarHBondContact N-O 3.33Å; Y325-F334 PolarHBondContact O-N 3.21Å; C327-F334 HydrophobicContact CB-CE2 4.17Å; K332-F334 HydrophobicContact CB-CE2 3.85Å; K332-F334 HydrophobicContact CB-CZ 3.97Å; K332-F334 WeakPolarHBondContact O-CD2 3.41Å; K332-F334 WeakPolarHBondContact O-CE2 3.37Å; F334-H339 HydrophobicContact CB-CB 4.23Å; F334-H339 HydrophobicContact CD1-CB 3.83Å; F334-H339 HydrophobicContact CG-CB 4.31Å; F334-L340 HydrophobicContact CB-CB 4.24Å; F334-L340 HydrophobicContact CD2-CB 3.85Å; F334-L340 HydrophobicContact CD2-CD1 3.71Å; F334-L340 HydrophobicContact CD2-CG 4.37Å; F334-L340 HydrophobicContact CE2-CD1 3.85Å; F334-L340 HydrophobicContact CG-CB 4.16Å; F334-H343 HydrophobicContact CE1-CB 3.84Å; F334-H343 HydrophobicContact CE2-CB 3.95Å; F334-H343 AromaticContact CE2-CD2 3.39Å; F334-H343 WeakPolarHBondContact CE2-CD2 3.3Å; F334-H343 AromaticContact CE2-CG 3.73Å; F334-H343 HydrophobicContact CZ-CB 3.38Å; F334-H343 AromaticContact CZ-CD2 3.36Å; F334-H343 WeakPolarHBondContact CZ-CD2 3.44Å; F334-H343 AromaticContact CZ-CG 3.2Å; F334-H343 AromaticContact CZ-ND1 3.87Å |
| 335 | S | 91.6 | Very high | 90.3 | Very high | 71 Ų | 71 | 67.3 Ų | 67.3 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -79.6 | -19 | 176.7 | 53 | 0 | 0 | 0 | 0 | 113.5 | ||
| 336 | K | 90.9 | Very high | 90.2 | Very high | 120 Ų | 120 | 67 Ų | 67 | 52% | 0.522 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -132.1 | 140.6 | -178.9 | -61.7 | -177.3 | -178.3 | -179.6 | 0 | 110.7 | Y325 S338 H339 L340 | Y325-K336 VanDerWaalsContact CD2-C 3.47Å; K336-S338 VanDerWaalsContact C-N 3.27Å; K336-S338 PolarHBondContact O-N 2.81Å; K336-H339 WeakPolarHBondContact O-CB 3.41Å; K336-H339 PolarHBondContact O-N 3.2Å; K336-H339 VanDerWaalsContact O-N 3.13Å; K336-L340 PolarHBondContact O-N 3.18Å |
| 337 | T | 90.5 | Very high | 90.2 | Very high | 68 Ų | 68 | 66.2 Ų | 66.2 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 174.8 | -40.4 | 0 | 0 | 0 | 0 | 111.7 | Y325 H339 L340 T341 | Y325-T337 HydrophobicContact CD1-CG2 4.42Å; Y325-T337 HydrophobicContact CE1-CG2 4.47Å; Y325-T337 WeakPolarHBondContact CE1-OG1 3.32Å; Y325-T337 PolarHBondContact OH-OG1 2.96Å; T337-H339 PolarHBondContact O-N 3.07Å; T337-L340 WeakPolarHBondContact O-CA 3.39Å; T337-L340 WeakPolarHBondContact O-CB 3.3Å; T337-L340 PolarHBondContact O-N 3.49Å; T337-T341 PolarHBondContact O-N 2.81Å; T337-T341 PolarHBondContact O-OG1 2.96Å; T337-T341 VanDerWaalsContact O-OG1 3.1Å |
| 338 | S | 88.1 | Confident | 90 | Very high | 65 Ų | 65 | 70 Ų | 70 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.5 | -34.7 | 178.3 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | K336 K342 | K336-S338 VanDerWaalsContact C-N 3.27Å; K336-S338 PolarHBondContact O-N 2.81Å; S338-K342 WeakPolarHBondContact O-CB 3.37Å; S338-K342 VanDerWaalsContact O-CG 3.28Å; S338-K342 WeakPolarHBondContact O-CG 3.42Å; S338-K342 PolarHBondContact O-N 3.14Å |
| 339 | H | 90 | Very high | 90 | Very high | 67 Ų | 67 | 67.3 Ų | 67.3 | 31% | 0.31 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -72.1 | -40.5 | 175.2 | -64.5 | 177.7 | 0 | 0 | 0 | 111.5 | F334 K336 T337 K342 H343 | F334-H339 HydrophobicContact CB-CB 4.23Å; F334-H339 HydrophobicContact CD1-CB 3.83Å; F334-H339 HydrophobicContact CG-CB 4.31Å; K336-H339 WeakPolarHBondContact O-CB 3.41Å; K336-H339 PolarHBondContact O-N 3.2Å; K336-H339 VanDerWaalsContact O-N 3.13Å; T337-H339 PolarHBondContact O-N 3.07Å; H339-K342 PolarHBondContact O-N 2.74Å; H339-H343 VanDerWaalsContact O-CB 3.3Å; H339-H343 WeakPolarHBondContact O-CB 3.21Å; H339-H343 PolarHBondContact O-N 3Å |
| 340 | L | 91.1 | Very high | 90 | Very high | 18 Ų | 18 | 66.8 Ų | 66.8 | 9% | 0.094 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 173.6 | 172.8 | 60.7 | 0 | 0 | 0 | 111.1 | C327 F334 K336 T337 K342 H343 Q344 | C327-L340 HydrophobicContact CB-CD1 3.71Å; F334-L340 HydrophobicContact CB-CB 4.24Å; F334-L340 HydrophobicContact CD2-CB 3.85Å; F334-L340 HydrophobicContact CD2-CD1 3.71Å; F334-L340 HydrophobicContact CD2-CG 4.37Å; F334-L340 HydrophobicContact CE2-CD1 3.85Å; F334-L340 HydrophobicContact CG-CB 4.16Å; K336-L340 PolarHBondContact O-N 3.18Å; T337-L340 WeakPolarHBondContact O-CA 3.39Å; T337-L340 WeakPolarHBondContact O-CB 3.3Å; T337-L340 PolarHBondContact O-N 3.49Å; L340-K342 PolarHBondContact O-N 3.45Å; L340-H343 CarbonylContact O-C 3.5Å; L340-H343 WeakPolarHBondContact O-CA 3.41Å; L340-H343 WeakPolarHBondContact O-CB 3.36Å; L340-H343 PolarHBondContact O-N 3.41Å; L340-H343 VanDerWaalsContact O-N 3.11Å; L340-Q344 HydrophobicContact CD1-CG 4.17Å; L340-Q344 WeakPolarHBondContact O-CG 3.46Å; L340-Q344 PolarHBondContact O-N 3.27Å |
| 341 | T | 88.5 | Confident | 90 | Very high | 60 Ų | 60 | 70.2 Ų | 70.2 | 37% | 0.368 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 178.2 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | T337 H343 Q344 R345 | T337-T341 PolarHBondContact O-N 2.81Å; T337-T341 PolarHBondContact O-OG1 2.96Å; T337-T341 VanDerWaalsContact O-OG1 3.1Å; T341-H343 VanDerWaalsContact C-N 3.28Å; T341-H343 PolarHBondContact O-N 3.2Å; T341-Q344 PolarHBondContact O-N 3.22Å; T341-R345 PolarHBondContact O-N 3.33Å |
| 342 | K | 88.3 | Confident | 90.1 | Very high | 86 Ų | 86 | 70.9 Ų | 70.9 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 173.7 | -74.2 | -178.3 | -173.7 | -158 | 0 | 111.9 | S338 H339 L340 R345 D364 | S338-K342 WeakPolarHBondContact O-CB 3.37Å; S338-K342 VanDerWaalsContact O-CG 3.28Å; S338-K342 WeakPolarHBondContact O-CG 3.42Å; S338-K342 PolarHBondContact O-N 3.14Å; H339-K342 PolarHBondContact O-N 2.74Å; L340-K342 PolarHBondContact O-N 3.45Å; K342-R345 WeakPolarHBondContact O-CB 3.5Å; K342-R345 PolarHBondContact O-N 3.27Å; K342-D364 WeakPolarHBondContact CE-OD1 3.3Å; K342-D364 IonicContact NZ-OD1 2.74Å; K342-D364 PolarHBondContact NZ-OD1 3.3Å; K342-D364 IonicContact NZ-OD2 3.65Å |
| 343 | H | 90 | Very high | 90.2 | Very high | 25 Ų | 25 | 68 Ų | 68 | 12% | 0.116 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 177 | 168.5 | 64 | 0 | 0 | 0 | 112.4 | C327 C330 F334 H339 L340 T341 R345 T346 H347 | C327-H343 PolarHBondContact SG-NE2 3.18Å; C327-H343 VanDerWaalsContact SG-NE2 3.37Å; C330-H343 PolarHBondContact SG-NE2 3.07Å; F334-H343 HydrophobicContact CE1-CB 3.84Å; F334-H343 HydrophobicContact CE2-CB 3.95Å; F334-H343 AromaticContact CE2-CD2 3.39Å; F334-H343 WeakPolarHBondContact CE2-CD2 3.3Å; F334-H343 AromaticContact CE2-CG 3.73Å; F334-H343 HydrophobicContact CZ-CB 3.38Å; F334-H343 AromaticContact CZ-CD2 3.36Å; F334-H343 WeakPolarHBondContact CZ-CD2 3.44Å; F334-H343 AromaticContact CZ-CG 3.2Å; F334-H343 AromaticContact CZ-ND1 3.87Å; H339-H343 VanDerWaalsContact O-CB 3.3Å; H339-H343 WeakPolarHBondContact O-CB 3.21Å; H339-H343 PolarHBondContact O-N 3Å; L340-H343 CarbonylContact O-C 3.5Å; L340-H343 WeakPolarHBondContact O-CA 3.41Å; L340-H343 WeakPolarHBondContact O-CB 3.36Å; L340-H343 PolarHBondContact O-N 3.41Å; L340-H343 VanDerWaalsContact O-N 3.11Å; T341-H343 VanDerWaalsContact C-N 3.28Å; T341-H343 PolarHBondContact O-N 3.2Å; H343-R345 PolarHBondContact O-N 3.26Å; H343-T346 PolarHBondContact ND1-OG1 3.27Å; H343-T346 WeakPolarHBondContact O-CA 3.47Å; H343-T346 VanDerWaalsContact O-CB 3.28Å; H343-T346 WeakPolarHBondContact O-CB 3.49Å; H343-T346 WeakPolarHBondContact O-CG2 3.36Å; H343-T346 PolarHBondContact O-N 3.2Å; H343-T346 PolarHBondContact O-OG1 3.19Å; H343-H347 AromaticContact CE1-CE1 3.92Å; H343-H347 AromaticContact CE1-NE2 3.44Å; H343-H347 PolarHBondContact CE1-NE2 3.28Å; H343-H347 AromaticContact NE2-CD2 3.96Å; H343-H347 AromaticContact NE2-CE1 3.94Å; H343-H347 AromaticContact NE2-NE2 3.09Å; H343-H347 PolarHBondContact NE2-NE2 2.89Å |
| 344 | Q | 89.4 | Confident | 90.3 | Very high | 63 Ų | 63 | 73.6 Ų | 73.6 | 29% | 0.294 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.4 | -34.1 | 177.4 | -76.9 | 172.6 | -37.5 | 0 | 0 | 112.2 | L340 T341 T346 H347 T348 | L340-Q344 HydrophobicContact CD1-CG 4.17Å; L340-Q344 WeakPolarHBondContact O-CG 3.46Å; L340-Q344 PolarHBondContact O-N 3.27Å; T341-Q344 PolarHBondContact O-N 3.22Å; Q344-T346 PolarHBondContact O-N 3.46Å; Q344-T346 VanDerWaalsContact O-N 3.08Å; Q344-H347 PolarHBondContact O-N 2.97Å; Q344-T348 PolarHBondContact O-N 3.39Å |
| 345 | R | 90.8 | Very high | 90.3 | Very high | 59 Ų | 59 | 72 Ų | 72 | 22% | 0.223 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.3 | -20.7 | 172.5 | -63.1 | 179.8 | -178.8 | 161.6 | 2.3 | 114 | T341 K342 H343 H347 T348 G349 E350 S363 | T341-R345 PolarHBondContact O-N 3.33Å; K342-R345 WeakPolarHBondContact O-CB 3.5Å; K342-R345 PolarHBondContact O-N 3.27Å; H343-R345 PolarHBondContact O-N 3.26Å; R345-H347 VanDerWaalsContact C-N 3.31Å; R345-T348 WeakPolarHBondContact CA-OG1 3.43Å; R345-G349 WeakPolarHBondContact O-CA 3.45Å; R345-G349 PolarHBondContact O-N 2.93Å; R345-E350 HydrophobicContact CB-CB 4.22Å; R345-E350 HydrophobicContact CG-CB 4.14Å; R345-E350 PolarHBondContact O-N 3.36Å; R345-S363 PolarHBondContact NH1-O 2.97Å |
| 346 | T | 89.1 | Confident | 90.4 | Very high | 85 Ų | 85 | 76.8 Ų | 76.8 | 52% | 0.521 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -73.9 | -23.9 | 175.6 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | H343 Q344 | H343-T346 PolarHBondContact ND1-OG1 3.27Å; H343-T346 WeakPolarHBondContact O-CA 3.47Å; H343-T346 VanDerWaalsContact O-CB 3.28Å; H343-T346 WeakPolarHBondContact O-CB 3.49Å; H343-T346 WeakPolarHBondContact O-CG2 3.36Å; H343-T346 PolarHBondContact O-N 3.2Å; H343-T346 PolarHBondContact O-OG1 3.19Å; Q344-T346 PolarHBondContact O-N 3.46Å; Q344-T346 VanDerWaalsContact O-N 3.08Å |
| 347 | H | 89.7 | Confident | 90.4 | Very high | 73 Ų | 73 | 76.3 Ų | 76.3 | 34% | 0.338 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -87.6 | -43 | 174.2 | -57.2 | -57.4 | 0 | 0 | 0 | 111.8 | C327 E329 H343 Q344 R345 G349 | C327-H347 PolarHBondContact SG-NE2 3.33Å; C327-H347 VanDerWaalsContact SG-NE2 3.39Å; E329-H347 WeakPolarHBondContact OE2-CB 3.46Å; E329-H347 IonicContact OE2-CD2 3.41Å; E329-H347 IonicContact OE2-CG 3.41Å; E329-H347 IonicContact OE2-ND1 3.2Å; H343-H347 AromaticContact CE1-CE1 3.92Å; H343-H347 AromaticContact CE1-NE2 3.44Å; H343-H347 PolarHBondContact CE1-NE2 3.28Å; H343-H347 AromaticContact NE2-CD2 3.96Å; H343-H347 AromaticContact NE2-CE1 3.94Å; H343-H347 AromaticContact NE2-NE2 3.09Å; H343-H347 PolarHBondContact NE2-NE2 2.89Å; Q344-H347 PolarHBondContact O-N 2.97Å; R345-H347 VanDerWaalsContact C-N 3.31Å; H347-G349 PolarHBondContact O-N 3.34Å |
| 348 | T | 88.6 | Confident | 90.5 | Very high | 82 Ų | 82 | 76.1 Ų | 76.1 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -72.8 | -17.5 | 178.1 | 65.4 | 0 | 0 | 0 | 0 | 113 | Q344 R345 E350 | Q344-T348 PolarHBondContact O-N 3.39Å; R345-T348 WeakPolarHBondContact CA-OG1 3.43Å; T348-E350 PolarHBondContact O-N 2.93Å; T348-E350 WeakPolarHBondContact OG1-CB 3.38Å; T348-E350 WeakPolarHBondContact OG1-CG 3.33Å; T348-E350 PolarHBondContact OG1-N 3.13Å |
| 349 | G | 88.4 | Confident | 90.6 | Very high | 50 Ų | 50 | 75.8 Ų | 75.8 | 52% | 0.515 | 41% | 0.41 | S | S | . | . | trans | 71.6 | 11.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | R345 H347 R351 | R345-G349 WeakPolarHBondContact O-CA 3.45Å; R345-G349 PolarHBondContact O-N 2.93Å; H347-G349 PolarHBondContact O-N 3.34Å; G349-R351 WeakPolarHBondContact O-CG 3.33Å; G349-R351 PolarHBondContact O-N 3.21Å | ||
| 350 | E | 90.4 | Very high | 90.7 | Very high | 108 Ų | 108 | 77.9 Ų | 77.9 | 51% | 0.505 | 42% | 0.418 | S | S | . | . | trans | -60.8 | 126.9 | 178.1 | -81.3 | 179.4 | -167 | 0 | 0 | 111.8 | R345 T348 S363 | R345-E350 HydrophobicContact CB-CB 4.22Å; R345-E350 HydrophobicContact CG-CB 4.14Å; R345-E350 PolarHBondContact O-N 3.36Å; T348-E350 PolarHBondContact O-N 2.93Å; T348-E350 WeakPolarHBondContact OG1-CB 3.38Å; T348-E350 WeakPolarHBondContact OG1-CG 3.33Å; T348-E350 PolarHBondContact OG1-N 3.13Å; E350-S363 WeakPolarHBondContact O-CB 3.44Å | ||
| 351 | R | 91.3 | Very high | 90.8 | Very high | 125 Ų | 125 | 77.4 Ų | 77.4 | 47% | 0.472 | 42% | 0.418 | S | S | . | . | trans | -129.5 | 77 | -179.7 | -67.6 | 170.3 | 92.4 | 151.5 | 3.5 | 109.7 | G349 Y353 G361 F362 | G349-R351 WeakPolarHBondContact O-CG 3.33Å; G349-R351 PolarHBondContact O-N 3.21Å; R351-Y353 PolarHBondContact O-N 2.88Å; R351-G361 PolarHBondContact NE-O 3.26Å; R351-G361 PolarHBondContact NH2-O 3.43Å; R351-F362 CarbonylContact C-O 3.29Å; R351-F362 VanDerWaalsContact CA-O 3.31Å; R351-F362 WeakPolarHBondContact CA-O 3.48Å | ||
| 352 | P | 90.3 | Very high | 90.9 | Very high | 72 Ų | 72 | 75.9 Ų | 75.9 | 47% | 0.468 | 41% | 0.407 | S | S | . | . | trans | -62.8 | -29 | -175.4 | -22.8 | 34.8 | 0 | 0 | 0 | 113.1 | F362 | P352-F362 WeakPolarHBondContact CD-O 3.46Š| ||
| 353 | Y | 93.3 | Very high | 90.9 | Very high | 67 Ų | 67 | 73.5 Ų | 73.5 | 26% | 0.263 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 104.2 | -175.2 | -52.1 | -76.1 | 0 | 0 | 0 | 110 | R351 G361 F362 D364 R365 F368 | R351-Y353 PolarHBondContact O-N 2.88Å; Y353-G361 CarbonylContact O-C 3.59Å; Y353-G361 VanDerWaalsContact O-C 3.32Å; Y353-G361 VanDerWaalsContact O-CA 3.31Å; Y353-G361 WeakPolarHBondContact O-CA 3.47Å; Y353-F362 WeakPolarHBondContact CD2-O 3.27Å; Y353-F362 PolarHBondContact N-O 3.27Å; Y353-F362 VanDerWaalsContact N-O 3.15Å; Y353-F362 PolarHBondContact O-N 3.41Å; Y353-D364 VanDerWaalsContact CD2-C 3.48Å; Y353-R365 HydrophobicContact CD1-CB 4.33Å; Y353-R365 HydrophobicContact CD1-CG 4.42Å; Y353-R365 HydrophobicContact CD2-CB 4.46Å; Y353-R365 HydrophobicContact CE1-CB 3.83Å; Y353-R365 HydrophobicContact CE1-CG 4.04Å; Y353-R365 HydrophobicContact CE2-CB 3.98Å; Y353-R365 VanDerWaalsContact CE2-N 3.32Å; Y353-F368 HydrophobicContact CG-CB 4.3Å |
| 354 | K | 93.8 | Very high | 90.9 | Very high | 143 Ų | 143 | 73.6 Ų | 73.6 | 62% | 0.622 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.9 | -179.2 | -65.3 | -178.6 | -177.6 | 176.1 | 0 | 111 | L356 | K354-L356 PolarHBondContact O-N 3.21Å |
| 355 | C | 93.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 78.3 Ų | 78.3 | 3% | 0.027 | 42% | 0.417 | C | S | . | . | trans | -74.9 | 121.6 | 169.2 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | V357 G359 K360 F368 H371 H375 | C355-V357 VanDerWaalsContact C-N 3.28Å; C355-G359 CarbonylContact O-C 3.59Å; C355-G359 WeakPolarHBondContact O-CA 3.49Å; C355-G359 PolarHBondContact O-N 2.77Å; C355-K360 WeakPolarHBondContact CB-O 3.36Å; C355-K360 PolarHBondContact N-O 3.33Å; C355-F368 HydrophobicContact CB-CE2 3.91Å; C355-H371 PolarHBondContact SG-NE2 3.39Å; C355-H371 VanDerWaalsContact SG-NE2 3.41Å; C355-H375 VanDerWaalsContact SG-CD2 3.54Å; C355-H375 PolarHBondContact SG-NE2 3.4Å; C355-H375 VanDerWaalsContact SG-NE2 3.36Å | ||
| 356 | L | 92.3 | Very high | 90.8 | Very high | 173 Ų | 173 | 79 Ų | 79 | 91% | 0.906 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -23.3 | 178.2 | -59.2 | -179.8 | 0 | 0 | 0 | 112.1 | K354 | K354-L356 PolarHBondContact O-N 3.21Š|
| 357 | V | 92 | Very high | 90.8 | Very high | 109 Ų | 109 | 79 Ų | 79 | 66% | 0.661 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -43.2 | -178.4 | -174.6 | 0 | 0 | 0 | 0 | 112 | C355 H375 | C355-V357 VanDerWaalsContact C-N 3.28Å; V357-H375 HydrophobicContact CG1-CB 4.48Å; V357-H375 WeakPolarHBondContact CG1-ND1 3.42Å |
| 358 | C | 92.4 | Very high | 91 | Very high | 64 Ų | 64 | 77.2 Ų | 77.2 | 43% | 0.432 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 7 | -177.8 | 67.7 | 0 | 0 | 0 | 0 | 114.6 | K360 H371 H375 | C358-K360 PolarHBondContact O-N 2.84Å; C358-K360 VanDerWaalsContact SG-CB 3.51Å; C358-H371 VanDerWaalsContact SG-CE1 3.54Å; C358-H371 PolarHBondContact SG-NE2 3.43Å; C358-H375 PolarHBondContact SG-NE2 3.16Å; C358-H375 VanDerWaalsContact SG-NE2 3.4Å |
| 359 | G | 89.3 | Confident | 91.2 | Very high | 59 Ų | 59 | 75.8 Ų | 75.8 | 61% | 0.608 | 41% | 0.412 | S | S | * | . | trans | 68.6 | -2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | C355 G361 | C355-G359 CarbonylContact O-C 3.59Å; C355-G359 WeakPolarHBondContact O-CA 3.49Å; C355-G359 PolarHBondContact O-N 2.77Å; G359-G361 PolarHBondContact O-N 2.95Å | ||
| 360 | K | 92.6 | Very high | 91.4 | Very high | 110 Ų | 110 | 75.1 Ų | 75.1 | 48% | 0.478 | 40% | 0.399 | S | S | . | . | trans | -73.1 | 123.3 | -172.4 | -163 | 170 | -176.2 | 178.5 | 0 | 111.3 | C355 C358 F362 | C355-K360 WeakPolarHBondContact CB-O 3.36Å; C355-K360 PolarHBondContact N-O 3.33Å; C358-K360 PolarHBondContact O-N 2.84Å; C358-K360 VanDerWaalsContact SG-CB 3.51Å; K360-F362 HydrophobicContact CB-CE2 4.1Å; K360-F362 HydrophobicContact CB-CZ 4.35Å; K360-F362 HydrophobicContact CD-CZ 3.97Å; K360-F362 HydrophobicContact CG-CE2 4.08Å; K360-F362 HydrophobicContact CG-CZ 3.96Å; K360-F362 WeakPolarHBondContact O-CD2 3.38Å; K360-F362 VanDerWaalsContact O-CE2 3.27Å; K360-F362 WeakPolarHBondContact O-CE2 3.4Å | ||
| 361 | G | 92.3 | Very high | 91.5 | Very high | 9 Ų | 9 | 71.2 Ų | 71.2 | 9% | 0.093 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 159.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R351 Y353 G359 | R351-G361 PolarHBondContact NE-O 3.26Å; R351-G361 PolarHBondContact NH2-O 3.43Å; Y353-G361 CarbonylContact O-C 3.59Å; Y353-G361 VanDerWaalsContact O-C 3.32Å; Y353-G361 VanDerWaalsContact O-CA 3.31Å; Y353-G361 WeakPolarHBondContact O-CA 3.47Å; G359-G361 PolarHBondContact O-N 2.95Å |
| 362 | F | 91.3 | Very high | 91.6 | Very high | 28 Ų | 28 | 69.4 Ų | 69.4 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 142.9 | 173.7 | -60.9 | -94.5 | 0 | 0 | 0 | 109.4 | R351 P352 Y353 K360 D364 N367 F368 H371 | R351-F362 CarbonylContact C-O 3.29Å; R351-F362 VanDerWaalsContact CA-O 3.31Å; R351-F362 WeakPolarHBondContact CA-O 3.48Å; P352-F362 WeakPolarHBondContact CD-O 3.46Å; Y353-F362 WeakPolarHBondContact CD2-O 3.27Å; Y353-F362 PolarHBondContact N-O 3.27Å; Y353-F362 VanDerWaalsContact N-O 3.15Å; Y353-F362 PolarHBondContact O-N 3.41Å; K360-F362 HydrophobicContact CB-CE2 4.1Å; K360-F362 HydrophobicContact CB-CZ 4.35Å; K360-F362 HydrophobicContact CD-CZ 3.97Å; K360-F362 HydrophobicContact CG-CE2 4.08Å; K360-F362 HydrophobicContact CG-CZ 3.96Å; K360-F362 WeakPolarHBondContact O-CD2 3.38Å; K360-F362 VanDerWaalsContact O-CE2 3.27Å; K360-F362 WeakPolarHBondContact O-CE2 3.4Å; F362-D364 VanDerWaalsContact C-N 3.34Å; F362-N367 HydrophobicContact CD1-CB 4.05Å; F362-F368 HydrophobicContact CB-CB 4.02Å; F362-F368 HydrophobicContact CD2-CB 4.08Å; F362-F368 AromaticContact CD2-CD2 3.71Å; F362-F368 HydrophobicContact CD2-CD2 3.71Å; F362-F368 HydrophobicContact CD2-CG 4.38Å; F362-F368 HydrophobicContact CE2-CD2 4.15Å; F362-F368 HydrophobicContact CG-CB 4.12Å; F362-H371 HydrophobicContact CE1-CB 3.81Å; F362-H371 HydrophobicContact CE2-CB 3.93Å; F362-H371 AromaticContact CE2-CD2 3.21Å; F362-H371 WeakPolarHBondContact CE2-CD2 3.2Å; F362-H371 AromaticContact CE2-CG 3.57Å; F362-H371 AromaticContact CE2-NE2 3.83Å; F362-H371 HydrophobicContact CZ-CB 3.39Å; F362-H371 AromaticContact CZ-CD2 3.32Å; F362-H371 WeakPolarHBondContact CZ-CD2 3.46Å; F362-H371 AromaticContact CZ-CG 3.14Å; F362-H371 AromaticContact CZ-ND1 3.69Å; F362-H371 AromaticContact CZ-NE2 3.89Å |
| 363 | S | 89.5 | Confident | 91.8 | Very high | 35 Ų | 35 | 68.3 Ų | 68.3 | 25% | 0.245 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -81 | -17.2 | 177.5 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | R345 E350 | R345-S363 PolarHBondContact NH1-O 2.97Å; E350-S363 WeakPolarHBondContact O-CB 3.44Å |
| 364 | D | 88.6 | Confident | 91.8 | Very high | 27 Ų | 27 | 70 Ų | 70 | 14% | 0.144 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -130.5 | 140 | -176.4 | -174.8 | 37.5 | 0 | 0 | 0 | 111.9 | K342 Y353 F362 N367 F368 | K342-D364 WeakPolarHBondContact CE-OD1 3.3Å; K342-D364 IonicContact NZ-OD1 2.74Å; K342-D364 PolarHBondContact NZ-OD1 3.3Å; K342-D364 IonicContact NZ-OD2 3.65Å; Y353-D364 VanDerWaalsContact CD2-C 3.48Å; F362-D364 VanDerWaalsContact C-N 3.34Å; D364-N367 HydrophobicContact CB-CB 4.41Å; D364-N367 PolarHBondContact O-N 2.93Å; D364-F368 PolarHBondContact O-N 3.41Å; D364-F368 VanDerWaalsContact O-N 3.12Å |
| 365 | R | 89.2 | Confident | 91.7 | Very high | 163 Ų | 163 | 66.9 Ų | 66.9 | 62% | 0.615 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.8 | -39.7 | -175.4 | -173.3 | 178 | 170.8 | 119.6 | -2.8 | 111.6 | Y353 N367 F368 S369 | Y353-R365 HydrophobicContact CD1-CB 4.33Å; Y353-R365 HydrophobicContact CD1-CG 4.42Å; Y353-R365 HydrophobicContact CD2-CB 4.46Å; Y353-R365 HydrophobicContact CE1-CB 3.83Å; Y353-R365 HydrophobicContact CE1-CG 4.04Å; Y353-R365 HydrophobicContact CE2-CB 3.98Å; Y353-R365 VanDerWaalsContact CE2-N 3.32Å; R365-N367 VanDerWaalsContact C-N 3.33Å; R365-N367 PolarHBondContact O-N 3.44Å; R365-F368 WeakPolarHBondContact O-CB 3.26Å; R365-F368 PolarHBondContact O-N 2.89Å; R365-F368 VanDerWaalsContact O-N 3.16Å; R365-S369 PolarHBondContact O-N 3.44Å |
| 366 | S | 88.6 | Confident | 91.6 | Very high | 74 Ų | 74 | 70.9 Ų | 70.9 | 52% | 0.517 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | -179.8 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | F368 S369 T370 | S366-F368 VanDerWaalsContact C-N 3.34Å; S366-S369 PolarHBondContact O-N 2.96Å; S366-T370 WeakPolarHBondContact O-CG2 3.33Å; S366-T370 PolarHBondContact O-N 3.01Å; S366-T370 PolarHBondContact O-OG1 3.33Å |
| 367 | N | 90.4 | Very high | 91.5 | Very high | 85 Ų | 85 | 64.8 Ų | 64.8 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 173.7 | -70 | -23.7 | 0 | 0 | 0 | 112.3 | F362 D364 R365 T370 H371 | F362-N367 HydrophobicContact CD1-CB 4.05Å; D364-N367 HydrophobicContact CB-CB 4.41Å; D364-N367 PolarHBondContact O-N 2.93Å; R365-N367 VanDerWaalsContact C-N 3.33Å; R365-N367 PolarHBondContact O-N 3.44Å; N367-T370 WeakPolarHBondContact CA-OG1 3.3Å; N367-T370 PolarHBondContact O-OG1 3.43Å; N367-H371 VanDerWaalsContact O-CB 3.28Å; N367-H371 WeakPolarHBondContact O-CB 2.79Å; N367-H371 PolarHBondContact O-N 3.2Å |
| 368 | F | 93.9 | Very high | 91.6 | Very high | 34 Ų | 34 | 64.6 Ų | 64.6 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.9 | -49.4 | 173.7 | 174.3 | -118.2 | 0 | 0 | 0 | 112.1 | Y353 C355 F362 D364 R365 S366 T370 H371 Q372 | Y353-F368 HydrophobicContact CG-CB 4.3Å; C355-F368 HydrophobicContact CB-CE2 3.91Å; F362-F368 HydrophobicContact CB-CB 4.02Å; F362-F368 HydrophobicContact CD2-CB 4.08Å; F362-F368 AromaticContact CD2-CD2 3.71Å; F362-F368 HydrophobicContact CD2-CD2 3.71Å; F362-F368 HydrophobicContact CD2-CG 4.38Å; F362-F368 HydrophobicContact CE2-CD2 4.15Å; F362-F368 HydrophobicContact CG-CB 4.12Å; D364-F368 PolarHBondContact O-N 3.41Å; D364-F368 VanDerWaalsContact O-N 3.12Å; R365-F368 WeakPolarHBondContact O-CB 3.26Å; R365-F368 PolarHBondContact O-N 2.89Å; R365-F368 VanDerWaalsContact O-N 3.16Å; S366-F368 VanDerWaalsContact C-N 3.34Å; F368-T370 PolarHBondContact O-N 3.19Å; F368-H371 WeakPolarHBondContact O-CA 3.42Å; F368-H371 WeakPolarHBondContact O-CB 3.06Å; F368-H371 PolarHBondContact O-N 2.85Å; F368-H371 VanDerWaalsContact O-N 3.07Å; F368-Q372 HydrophobicContact CD2-CG 4.42Å; F368-Q372 HydrophobicContact CE1-CG 4.26Å; F368-Q372 HydrophobicContact CE2-CG 3.92Å; F368-Q372 HydrophobicContact CZ-CG 3.86Å; F368-Q372 PolarHBondContact O-N 3.21Å |
| 369 | S | 91.9 | Very high | 91.7 | Very high | 52 Ų | 52 | 67 Ų | 67 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 178.8 | 174.9 | 0 | 0 | 0 | 0 | 112 | R365 S366 H371 Q372 | R365-S369 PolarHBondContact O-N 3.44Å; S366-S369 PolarHBondContact O-N 2.96Å; S369-H371 VanDerWaalsContact C-N 3.26Å; S369-H371 PolarHBondContact O-N 3.4Å; S369-Q372 PolarHBondContact O-N 3.34Å |
| 370 | T | 92.5 | Very high | 91.9 | Very high | 37 Ų | 37 | 66.8 Ų | 66.8 | 23% | 0.227 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.8 | -30.8 | 174.9 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | S366 N367 F368 R373 | S366-T370 WeakPolarHBondContact O-CG2 3.33Å; S366-T370 PolarHBondContact O-N 3.01Å; S366-T370 PolarHBondContact O-OG1 3.33Å; N367-T370 WeakPolarHBondContact CA-OG1 3.3Å; N367-T370 PolarHBondContact O-OG1 3.43Å; F368-T370 PolarHBondContact O-N 3.19Å; T370-R373 WeakPolarHBondContact O-CB 3.41Å |
| 371 | H | 93.6 | Very high | 92 | Very high | 26 Ų | 26 | 65.1 Ų | 65.1 | 12% | 0.12 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.6 | -36.5 | 173.3 | 166.3 | 68.3 | 0 | 0 | 0 | 112.8 | C355 C358 F362 N367 F368 S369 R373 V374 H375 | C355-H371 PolarHBondContact SG-NE2 3.39Å; C355-H371 VanDerWaalsContact SG-NE2 3.41Å; C358-H371 VanDerWaalsContact SG-CE1 3.54Å; C358-H371 PolarHBondContact SG-NE2 3.43Å; F362-H371 HydrophobicContact CE1-CB 3.81Å; F362-H371 HydrophobicContact CE2-CB 3.93Å; F362-H371 AromaticContact CE2-CD2 3.21Å; F362-H371 WeakPolarHBondContact CE2-CD2 3.2Å; F362-H371 AromaticContact CE2-CG 3.57Å; F362-H371 AromaticContact CE2-NE2 3.83Å; F362-H371 HydrophobicContact CZ-CB 3.39Å; F362-H371 AromaticContact CZ-CD2 3.32Å; F362-H371 WeakPolarHBondContact CZ-CD2 3.46Å; F362-H371 AromaticContact CZ-CG 3.14Å; F362-H371 AromaticContact CZ-ND1 3.69Å; F362-H371 AromaticContact CZ-NE2 3.89Å; N367-H371 VanDerWaalsContact O-CB 3.28Å; N367-H371 WeakPolarHBondContact O-CB 2.79Å; N367-H371 PolarHBondContact O-N 3.2Å; F368-H371 WeakPolarHBondContact O-CA 3.42Å; F368-H371 WeakPolarHBondContact O-CB 3.06Å; F368-H371 PolarHBondContact O-N 2.85Å; F368-H371 VanDerWaalsContact O-N 3.07Å; S369-H371 VanDerWaalsContact C-N 3.26Å; S369-H371 PolarHBondContact O-N 3.4Å; H371-R373 PolarHBondContact O-N 3.48Å; H371-R373 VanDerWaalsContact O-N 3.17Å; H371-V374 WeakPolarHBondContact O-CB 3.49Å; H371-V374 WeakPolarHBondContact O-CG2 3.43Å; H371-V374 PolarHBondContact O-N 2.95Å; H371-H375 AromaticContact CE1-NE2 3.57Å; H371-H375 AromaticContact NE2-CD2 3.96Å; H371-H375 AromaticContact NE2-NE2 3.41Å; H371-H375 PolarHBondContact NE2-NE2 3.02Å |
| 372 | Q | 92.6 | Very high | 92.2 | Very high | 87 Ų | 87 | 67.9 Ų | 67.9 | 41% | 0.407 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56.9 | -32.7 | 177.5 | -72 | 178.1 | -69.8 | 0 | 0 | 112 | F368 S369 V374 H375 T376 | F368-Q372 HydrophobicContact CD2-CG 4.42Å; F368-Q372 HydrophobicContact CE1-CG 4.26Å; F368-Q372 HydrophobicContact CE2-CG 3.92Å; F368-Q372 HydrophobicContact CZ-CG 3.86Å; F368-Q372 PolarHBondContact O-N 3.21Å; S369-Q372 PolarHBondContact O-N 3.34Å; Q372-V374 PolarHBondContact O-N 3.4Å; Q372-V374 VanDerWaalsContact O-N 3.09Å; Q372-H375 WeakPolarHBondContact O-CB 3.47Å; Q372-H375 PolarHBondContact O-N 3.46Å; Q372-T376 PolarHBondContact O-N 2.98Å |
| 373 | R | 94.3 | Very high | 92.5 | Very high | 49 Ų | 49 | 66.7 Ų | 66.7 | 19% | 0.185 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.6 | -19.7 | 174.2 | -59.4 | -178.2 | -176.5 | 165.2 | 0.6 | 114.3 | T370 H371 H375 T376 G377 E378 S391 | T370-R373 WeakPolarHBondContact O-CB 3.41Å; H371-R373 PolarHBondContact O-N 3.48Å; H371-R373 VanDerWaalsContact O-N 3.17Å; R373-H375 VanDerWaalsContact C-N 3.3Å; R373-T376 WeakPolarHBondContact CA-OG1 3.2Å; R373-G377 CarbonylContact O-C 3.56Å; R373-G377 WeakPolarHBondContact O-CA 3.26Å; R373-G377 PolarHBondContact O-N 3.39Å; R373-E378 HydrophobicContact CB-CB 4.21Å; R373-E378 HydrophobicContact CG-CB 4.12Å; R373-E378 PolarHBondContact O-N 3.31Å; R373-S391 PolarHBondContact NH1-O 3.05Å |
| 374 | V | 93.2 | Very high | 92.6 | Very high | 103 Ų | 103 | 70 Ų | 70 | 62% | 0.624 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -69 | -33.2 | 173.4 | 179.8 | 0 | 0 | 0 | 0 | 111 | H371 Q372 | H371-V374 WeakPolarHBondContact O-CB 3.49Å; H371-V374 WeakPolarHBondContact O-CG2 3.43Å; H371-V374 PolarHBondContact O-N 2.95Å; Q372-V374 PolarHBondContact O-N 3.4Å; Q372-V374 VanDerWaalsContact O-N 3.09Å |
| 375 | H | 91.6 | Very high | 92.9 | Very high | 76 Ų | 76 | 73.2 Ų | 73.2 | 35% | 0.352 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -83.8 | -41.1 | 179.2 | -64 | -60.5 | 0 | 0 | 0 | 112 | C355 V357 C358 H371 Q372 R373 G377 | C355-H375 VanDerWaalsContact SG-CD2 3.54Å; C355-H375 PolarHBondContact SG-NE2 3.4Å; C355-H375 VanDerWaalsContact SG-NE2 3.36Å; V357-H375 HydrophobicContact CG1-CB 4.48Å; V357-H375 WeakPolarHBondContact CG1-ND1 3.42Å; C358-H375 PolarHBondContact SG-NE2 3.16Å; C358-H375 VanDerWaalsContact SG-NE2 3.4Å; H371-H375 AromaticContact CE1-NE2 3.57Å; H371-H375 AromaticContact NE2-CD2 3.96Å; H371-H375 AromaticContact NE2-NE2 3.41Å; H371-H375 PolarHBondContact NE2-NE2 3.02Å; Q372-H375 WeakPolarHBondContact O-CB 3.47Å; Q372-H375 PolarHBondContact O-N 3.46Å; R373-H375 VanDerWaalsContact C-N 3.3Å; H375-G377 VanDerWaalsContact C-N 3.29Å |
| 376 | T | 90.7 | Very high | 93.2 | Very high | 88 Ų | 88 | 67.9 Ų | 67.9 | 54% | 0.54 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -78.2 | -16.1 | 178.3 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | Q372 R373 E378 | Q372-T376 PolarHBondContact O-N 2.98Å; R373-T376 WeakPolarHBondContact CA-OG1 3.2Å; T376-E378 PolarHBondContact O-N 3.47Å; T376-E378 WeakPolarHBondContact OG1-CB 3.02Å; T376-E378 WeakPolarHBondContact OG1-CG 3.45Å; T376-E378 PolarHBondContact OG1-N 3.35Å |
| 377 | G | 91.7 | Very high | 93.5 | Very high | 46 Ų | 46 | 66.9 Ų | 66.9 | 47% | 0.474 | 38% | 0.381 | S | S | . | . | trans | 72.8 | 5.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R373 H375 K379 | R373-G377 CarbonylContact O-C 3.56Å; R373-G377 WeakPolarHBondContact O-CA 3.26Å; R373-G377 PolarHBondContact O-N 3.39Å; H375-G377 VanDerWaalsContact C-N 3.29Å; G377-K379 PolarHBondContact O-N 2.98Å | ||
| 378 | E | 93.4 | Very high | 93.8 | Very high | 104 Ų | 104 | 69 Ų | 69 | 49% | 0.486 | 39% | 0.386 | S | S | . | . | trans | -57.2 | 127.5 | -179.2 | -82 | 173.8 | -150.9 | 0 | 0 | 112.3 | R373 T376 | R373-E378 HydrophobicContact CB-CB 4.21Å; R373-E378 HydrophobicContact CG-CB 4.12Å; R373-E378 PolarHBondContact O-N 3.31Å; T376-E378 PolarHBondContact O-N 3.47Å; T376-E378 WeakPolarHBondContact OG1-CB 3.02Å; T376-E378 WeakPolarHBondContact OG1-CG 3.45Å; T376-E378 PolarHBondContact OG1-N 3.35Å | ||
| 379 | K | 94.6 | Very high | 93.8 | Very high | 114 Ų | 114 | 74.4 Ų | 74.4 | 50% | 0.496 | 41% | 0.405 | S | S | . | . | trans | -129.5 | 80.9 | 175.3 | -67.5 | 169.6 | -175.8 | 179.4 | 0 | 109.2 | G377 Y381 R389 F390 | G377-K379 PolarHBondContact O-N 2.98Å; K379-Y381 PolarHBondContact O-N 3.46Å; K379-R389 HydrophobicContact CB-CB 3.49Å; K379-R389 VanDerWaalsContact CB-CB 3.49Å; K379-R389 HydrophobicContact CD-CB 4.25Å; K379-R389 HydrophobicContact CG-CB 4.48Å; K379-R389 PolarHBondContact O-NE 3.4Å; K379-R389 PolarHBondContact O-NH2 2.88Å; K379-F390 CarbonylContact C-O 3.59Å; K379-F390 VanDerWaalsContact C-O 3.24Å; K379-F390 VanDerWaalsContact CA-O 3.27Å; K379-F390 WeakPolarHBondContact CA-O 3.49Å | ||
| 380 | P | 92.6 | Very high | 94 | Very high | 55 Ų | 55 | 74 Ų | 74 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | trans | -68.1 | -16.4 | -173.1 | -21.9 | 34.9 | 0 | 0 | 0 | 114 | P382 | P380-P382 WeakPolarHBondContact O-CD 3.28Š| ||
| 381 | Y | 96.3 | Very high | 94 | Very high | 76 Ų | 76 | 74.1 Ų | 74.1 | 30% | 0.298 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 91.2 | -170.3 | -53.2 | -75.1 | 0 | 0 | 0 | 111.3 | K379 R389 F390 S391 | K379-Y381 PolarHBondContact O-N 3.46Å; Y381-R389 CarbonylContact O-C 3.56Å; Y381-R389 WeakPolarHBondContact O-CA 3.31Å; Y381-F390 WeakPolarHBondContact CD2-O 3.26Å; Y381-F390 PolarHBondContact N-O 3.22Å; Y381-F390 VanDerWaalsContact N-O 3.07Å; Y381-F390 PolarHBondContact O-N 3.41Å; Y381-S391 WeakPolarHBondContact CE2-O 3.4Å |
| 382 | P | 95.7 | Very high | 94 | Very high | 67 Ų | 67 | 76.4 Ų | 76.4 | 44% | 0.435 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 144.6 | 173.8 | 31.8 | -35.5 | 0 | 0 | 0 | 111.5 | P380 R389 L396 | P380-P382 WeakPolarHBondContact O-CD 3.28Å; P382-R389 HydrophobicContact CB-CG 4.25Å; P382-L396 WeakPolarHBondContact O-CD2 3.34Å |
| 383 | C | 96.8 | Very high | 94 | Very high | 2 Ų | 2 | 75.3 Ų | 75.3 | 1% | 0.014 | 41% | 0.412 | C | S | . | . | trans | -82.1 | 121.5 | 167.5 | 179.4 | 0 | 0 | 0 | 0 | 109.4 | E385 G387 K388 F390 L396 H403 | C383-E385 PolarHBondContact O-N 3.33Å; C383-G387 VanDerWaalsContact O-CA 3.28Å; C383-G387 WeakPolarHBondContact O-CA 3.48Å; C383-G387 PolarHBondContact O-N 3.16Å; C383-K388 HydrophobicContact CB-CB 4.5Å; C383-K388 VanDerWaalsContact CB-O 3.26Å; C383-K388 WeakPolarHBondContact CB-O 3.38Å; C383-K388 PolarHBondContact N-O 3.21Å; C383-F390 HydrophobicContact CB-CE2 4.27Å; C383-L396 HydrophobicContact CB-CD1 3.69Å; C383-H403 PolarHBondContact SG-NE2 3.25Å; C383-H403 VanDerWaalsContact SG-NE2 3.45Å | ||
| 384 | P | 93.5 | Very high | 93.9 | Very high | 106 Ų | 106 | 75.9 Ų | 75.9 | 69% | 0.688 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -26.2 | -179 | 25.7 | -33.5 | 0 | 0 | 0 | 112.6 | ||
| 385 | E | 94.8 | Very high | 93.9 | Very high | 94 Ų | 94 | 73.1 Ų | 73.1 | 44% | 0.439 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -24.1 | -173.2 | -64.2 | 156 | -136 | 0 | 0 | 113.1 | C383 R400 H403 | C383-E385 PolarHBondContact O-N 3.33Å; E385-R400 IonicContact OE1-CZ 3.15Å; E385-R400 IonicContact OE1-NE 3.43Å; E385-R400 PolarHBondContact OE1-NE 2.83Å; E385-R400 IonicContact OE1-NH2 3.9Å; E385-R400 PolarHBondContact OE1-NH2 3.25Å; E385-H403 WeakPolarHBondContact OE2-CB 3.38Å; E385-H403 IonicContact OE2-CD2 3.51Å; E385-H403 PolarHBondContact OE2-CD2 3Å; E385-H403 IonicContact OE2-CG 3.89Å |
| 386 | C | 95.5 | Very high | 94.1 | Very high | 51 Ų | 51 | 70.8 Ų | 70.8 | 35% | 0.345 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.6 | 7.2 | -177.1 | 71.5 | 0 | 0 | 0 | 0 | 115.3 | K388 H399 H403 | C386-K388 PolarHBondContact O-N 3.1Å; C386-H399 PolarHBondContact SG-NE2 3.45Å; C386-H403 PolarHBondContact SG-NE2 3.05Å; C386-H403 VanDerWaalsContact SG-NE2 3.43Å |
| 387 | G | 93.5 | Very high | 94.3 | Very high | 53 Ų | 53 | 70.2 Ų | 70.2 | 55% | 0.546 | 40% | 0.395 | S | S | . | . | trans | 69.1 | -8.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | C383 R389 | C383-G387 VanDerWaalsContact O-CA 3.28Å; C383-G387 WeakPolarHBondContact O-CA 3.48Å; C383-G387 PolarHBondContact O-N 3.16Å; G387-R389 WeakPolarHBondContact O-CG 3.3Å; G387-R389 PolarHBondContact O-N 2.87Å | ||
| 388 | K | 96.3 | Very high | 94.4 | Very high | 128 Ų | 128 | 70.6 Ų | 70.6 | 56% | 0.557 | 39% | 0.386 | S | S | * | . | trans | -60.7 | 128.9 | 179.8 | -71.4 | 179.2 | -177 | 172.6 | 0 | 110.9 | C383 C386 F390 | C383-K388 HydrophobicContact CB-CB 4.5Å; C383-K388 VanDerWaalsContact CB-O 3.26Å; C383-K388 WeakPolarHBondContact CB-O 3.38Å; C383-K388 PolarHBondContact N-O 3.21Å; C386-K388 PolarHBondContact O-N 3.1Å; K388-F390 HydrophobicContact CB-CE2 4.01Å; K388-F390 HydrophobicContact CB-CZ 4.21Å; K388-F390 WeakPolarHBondContact O-CE2 3.44Å | ||
| 389 | R | 95.6 | Very high | 94.5 | Very high | 148 Ų | 148 | 66.9 Ų | 66.9 | 56% | 0.558 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 143.7 | -177.6 | -51.4 | -176.6 | 70.1 | 127.2 | -1.2 | 112 | K379 Y381 P382 G387 | K379-R389 HydrophobicContact CB-CB 3.49Å; K379-R389 VanDerWaalsContact CB-CB 3.49Å; K379-R389 HydrophobicContact CD-CB 4.25Å; K379-R389 HydrophobicContact CG-CB 4.48Å; K379-R389 PolarHBondContact O-NE 3.4Å; K379-R389 PolarHBondContact O-NH2 2.88Å; Y381-R389 CarbonylContact O-C 3.56Å; Y381-R389 WeakPolarHBondContact O-CA 3.31Å; P382-R389 HydrophobicContact CB-CG 4.25Å; G387-R389 WeakPolarHBondContact O-CG 3.3Å; G387-R389 PolarHBondContact O-N 2.87Å |
| 390 | F | 94.4 | Very high | 94.5 | Very high | 44 Ų | 44 | 67 Ų | 67 | 19% | 0.193 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 149.7 | 179.9 | -60.4 | -89.9 | 0 | 0 | 0 | 110.9 | K379 Y381 C383 K388 L396 H399 | K379-F390 CarbonylContact C-O 3.59Å; K379-F390 VanDerWaalsContact C-O 3.24Å; K379-F390 VanDerWaalsContact CA-O 3.27Å; K379-F390 WeakPolarHBondContact CA-O 3.49Å; Y381-F390 WeakPolarHBondContact CD2-O 3.26Å; Y381-F390 PolarHBondContact N-O 3.22Å; Y381-F390 VanDerWaalsContact N-O 3.07Å; Y381-F390 PolarHBondContact O-N 3.41Å; C383-F390 HydrophobicContact CB-CE2 4.27Å; K388-F390 HydrophobicContact CB-CE2 4.01Å; K388-F390 HydrophobicContact CB-CZ 4.21Å; K388-F390 WeakPolarHBondContact O-CE2 3.44Å; F390-L396 HydrophobicContact CB-CB 4.29Å; F390-L396 HydrophobicContact CD2-CB 3.95Å; F390-L396 HydrophobicContact CD2-CD1 3.85Å; F390-L396 HydrophobicContact CE2-CD1 4.06Å; F390-L396 HydrophobicContact CG-CB 4.25Å; F390-H399 HydrophobicContact CE1-CB 3.88Å; F390-H399 HydrophobicContact CE2-CB 3.88Å; F390-H399 AromaticContact CE2-CD2 3.26Å; F390-H399 WeakPolarHBondContact CE2-CD2 3.31Å; F390-H399 AromaticContact CE2-CG 3.62Å; F390-H399 HydrophobicContact CZ-CB 3.41Å; F390-H399 VanDerWaalsContact CZ-CB 3.41Å; F390-H399 AromaticContact CZ-CD2 3.3Å; F390-H399 WeakPolarHBondContact CZ-CD2 3.33Å; F390-H399 AromaticContact CZ-CG 3.18Å; F390-H399 AromaticContact CZ-ND1 3.81Å; F390-H399 AromaticContact CZ-NE2 3.93Å |
| 391 | S | 93.1 | Very high | 94.6 | Very high | 39 Ų | 39 | 66.8 Ų | 66.8 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -82.8 | -14.1 | 177.2 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | R373 Y381 | R373-S391 PolarHBondContact NH1-O 3.05Å; Y381-S391 WeakPolarHBondContact CE2-O 3.4Å |
| 392 | Q | 93 | Very high | 94.5 | Very high | 74 Ų | 74 | 66.9 Ų | 66.9 | 35% | 0.346 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -135 | 141 | 179.1 | -61.7 | -178.2 | 3.6 | 0 | 0 | 110.9 | S394 S395 L396 | Q392-S394 PolarHBondContact O-N 3.05Å; Q392-S395 WeakPolarHBondContact O-CB 3.35Å; Q392-S395 PolarHBondContact O-N 2.98Å; Q392-L396 PolarHBondContact O-N 2.88Å |
| 393 | S | 93.8 | Very high | 94.4 | Very high | 65 Ų | 65 | 67.3 Ų | 67.3 | 46% | 0.455 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 178.4 | 58.1 | 0 | 0 | 0 | 0 | 112.5 | S395 L396 V397 | S393-S395 PolarHBondContact O-N 3.48Å; S393-L396 WeakPolarHBondContact O-CB 3.49Å; S393-L396 PolarHBondContact O-N 2.74Å; S393-L396 VanDerWaalsContact O-N 3.09Å; S393-V397 WeakPolarHBondContact O-CG2 3.5Å; S393-V397 PolarHBondContact O-N 2.76Å |
| 394 | S | 91.4 | Very high | 94.2 | Very high | 61 Ų | 61 | 70.7 Ų | 70.7 | 43% | 0.427 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.4 | -37.4 | 175.8 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | Q392 V397 I398 | Q392-S394 PolarHBondContact O-N 3.05Å; S394-V397 PolarHBondContact O-N 3.06Å; S394-I398 VanDerWaalsContact O-CG1 3.3Å; S394-I398 WeakPolarHBondContact O-CG1 3.4Å; S394-I398 PolarHBondContact O-N 3.42Å |
| 395 | S | 94.4 | Very high | 94.1 | Very high | 45 Ų | 45 | 68 Ų | 68 | 32% | 0.315 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 176.4 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | Q392 S393 H399 | Q392-S395 WeakPolarHBondContact O-CB 3.35Å; Q392-S395 PolarHBondContact O-N 2.98Å; S393-S395 PolarHBondContact O-N 3.48Å; S395-H399 VanDerWaalsContact O-CB 3.3Å; S395-H399 WeakPolarHBondContact O-CB 3.37Å; S395-H399 PolarHBondContact O-N 2.85Å |
| 396 | L | 95.6 | Very high | 94 | Very high | 26 Ų | 26 | 68.9 Ų | 68.9 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 172.3 | 171.3 | 61.9 | 0 | 0 | 0 | 111.4 | P382 C383 F390 Q392 S393 I398 H399 R400 | P382-L396 WeakPolarHBondContact O-CD2 3.34Å; C383-L396 HydrophobicContact CB-CD1 3.69Å; F390-L396 HydrophobicContact CB-CB 4.29Å; F390-L396 HydrophobicContact CD2-CB 3.95Å; F390-L396 HydrophobicContact CD2-CD1 3.85Å; F390-L396 HydrophobicContact CE2-CD1 4.06Å; F390-L396 HydrophobicContact CG-CB 4.25Å; Q392-L396 PolarHBondContact O-N 2.88Å; S393-L396 WeakPolarHBondContact O-CB 3.49Å; S393-L396 PolarHBondContact O-N 2.74Å; S393-L396 VanDerWaalsContact O-N 3.09Å; L396-I398 PolarHBondContact O-N 3.23Å; L396-H399 CarbonylContact O-C 3.55Å; L396-H399 WeakPolarHBondContact O-CA 3.46Å; L396-H399 WeakPolarHBondContact O-CB 3.48Å; L396-H399 PolarHBondContact O-N 2.99Å; L396-H399 VanDerWaalsContact O-N 3.12Å; L396-R400 HydrophobicContact CD1-CG 4.01Å; L396-R400 HydrophobicContact CG-CG 4.45Å; L396-R400 WeakPolarHBondContact O-CG 3.45Å; L396-R400 PolarHBondContact O-N 3.47Å |
| 397 | V | 94.2 | Very high | 93.9 | Very high | 76 Ų | 76 | 72.9 Ų | 72.9 | 46% | 0.461 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 178.9 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | S393 S394 H399 R400 R401 | S393-V397 WeakPolarHBondContact O-CG2 3.5Å; S393-V397 PolarHBondContact O-N 2.76Å; S394-V397 PolarHBondContact O-N 3.06Å; V397-H399 VanDerWaalsContact C-N 3.29Å; V397-H399 PolarHBondContact O-N 3.33Å; V397-R400 PolarHBondContact O-N 3.24Å; V397-R401 PolarHBondContact O-N 2.95Å |
| 398 | I | 94 | Very high | 93.8 | Very high | 55 Ų | 55 | 73.4 Ų | 73.4 | 28% | 0.282 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 176.3 | -65.6 | 164.7 | 0 | 0 | 0 | 110.7 | S394 L396 R401 N420 | S394-I398 VanDerWaalsContact O-CG1 3.3Å; S394-I398 WeakPolarHBondContact O-CG1 3.4Å; S394-I398 PolarHBondContact O-N 3.42Å; L396-I398 PolarHBondContact O-N 3.23Å; I398-R401 WeakPolarHBondContact O-CB 3.43Å; I398-R401 PolarHBondContact O-N 3.47Å; I398-N420 HydrophobicContact CG2-CB 4.14Å |
| 399 | H | 94.9 | Very high | 93.7 | Very high | 25 Ų | 25 | 69.8 Ų | 69.8 | 12% | 0.116 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 175.6 | 171.9 | 58.9 | 0 | 0 | 0 | 112.2 | C386 F390 S395 L396 V397 R401 T402 H403 | C386-H399 PolarHBondContact SG-NE2 3.45Å; F390-H399 HydrophobicContact CE1-CB 3.88Å; F390-H399 HydrophobicContact CE2-CB 3.88Å; F390-H399 AromaticContact CE2-CD2 3.26Å; F390-H399 WeakPolarHBondContact CE2-CD2 3.31Å; F390-H399 AromaticContact CE2-CG 3.62Å; F390-H399 HydrophobicContact CZ-CB 3.41Å; F390-H399 VanDerWaalsContact CZ-CB 3.41Å; F390-H399 AromaticContact CZ-CD2 3.3Å; F390-H399 WeakPolarHBondContact CZ-CD2 3.33Å; F390-H399 AromaticContact CZ-CG 3.18Å; F390-H399 AromaticContact CZ-ND1 3.81Å; F390-H399 AromaticContact CZ-NE2 3.93Å; S395-H399 VanDerWaalsContact O-CB 3.3Å; S395-H399 WeakPolarHBondContact O-CB 3.37Å; S395-H399 PolarHBondContact O-N 2.85Å; L396-H399 CarbonylContact O-C 3.55Å; L396-H399 WeakPolarHBondContact O-CA 3.46Å; L396-H399 WeakPolarHBondContact O-CB 3.48Å; L396-H399 PolarHBondContact O-N 2.99Å; L396-H399 VanDerWaalsContact O-N 3.12Å; V397-H399 VanDerWaalsContact C-N 3.29Å; V397-H399 PolarHBondContact O-N 3.33Å; H399-R401 PolarHBondContact O-N 3.28Å; H399-R401 VanDerWaalsContact O-N 3.14Å; H399-T402 PolarHBondContact ND1-OG1 3.05Å; H399-T402 WeakPolarHBondContact O-CB 3.28Å; H399-T402 WeakPolarHBondContact O-CG2 3.46Å; H399-T402 PolarHBondContact O-N 3.08Å; H399-T402 PolarHBondContact O-OG1 3.3Å; H399-H403 AromaticContact CE1-NE2 3.57Å; H399-H403 AromaticContact NE2-CE1 3.99Å; H399-H403 AromaticContact NE2-NE2 3.18Å; H399-H403 PolarHBondContact NE2-NE2 2.86Å; H399-H403 VanDerWaalsContact NE2-NE2 3.18Å |
| 400 | R | 94.6 | Very high | 93.7 | Very high | 116 Ų | 116 | 64.8 Ų | 64.8 | 44% | 0.438 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.1 | -30.7 | 178.6 | -73.8 | -173.6 | 65.7 | -132.2 | -6 | 113.1 | E385 L396 V397 T402 H403 S404 | E385-R400 IonicContact OE1-CZ 3.15Å; E385-R400 IonicContact OE1-NE 3.43Å; E385-R400 PolarHBondContact OE1-NE 2.83Å; E385-R400 IonicContact OE1-NH2 3.9Å; E385-R400 PolarHBondContact OE1-NH2 3.25Å; L396-R400 HydrophobicContact CD1-CG 4.01Å; L396-R400 HydrophobicContact CG-CG 4.45Å; L396-R400 WeakPolarHBondContact O-CG 3.45Å; L396-R400 PolarHBondContact O-N 3.47Å; V397-R400 PolarHBondContact O-N 3.24Å; R400-T402 PolarHBondContact O-N 3.42Å; R400-T402 VanDerWaalsContact O-N 3.11Å; R400-H403 PolarHBondContact O-N 3.31Å; R400-S404 PolarHBondContact O-N 3.44Å |
| 401 | R | 94.9 | Very high | 93.7 | Very high | 51 Ų | 51 | 62.9 Ų | 62.9 | 19% | 0.192 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.5 | -17.1 | 172.1 | -62.7 | 176.5 | -179.5 | 162.3 | 1.5 | 114.1 | V397 I398 H399 H403 G405 E406 N419 | V397-R401 PolarHBondContact O-N 2.95Å; I398-R401 WeakPolarHBondContact O-CB 3.43Å; I398-R401 PolarHBondContact O-N 3.47Å; H399-R401 PolarHBondContact O-N 3.28Å; H399-R401 VanDerWaalsContact O-N 3.14Å; R401-H403 VanDerWaalsContact C-N 3.33Å; R401-G405 CarbonylContact O-C 3.24Å; R401-G405 WeakPolarHBondContact O-CA 3.37Å; R401-G405 PolarHBondContact O-N 2.77Å; R401-G405 VanDerWaalsContact O-N 3.1Å; R401-E406 HydrophobicContact CB-CB 4.25Å; R401-E406 HydrophobicContact CG-CB 4.14Å; R401-E406 PolarHBondContact O-N 3.26Å; R401-N419 HydrophobicContact CB-CB 4Å; R401-N419 WeakPolarHBondContact CD-O 3.23Å; R401-N419 PolarHBondContact NH1-O 2.92Å |
| 402 | T | 94.4 | Very high | 93.7 | Very high | 78 Ų | 78 | 67.9 Ų | 67.9 | 48% | 0.479 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -75.8 | -25.3 | 173.8 | 68.9 | 0 | 0 | 0 | 0 | 112.6 | H399 R400 | H399-T402 PolarHBondContact ND1-OG1 3.05Å; H399-T402 WeakPolarHBondContact O-CB 3.28Å; H399-T402 WeakPolarHBondContact O-CG2 3.46Å; H399-T402 PolarHBondContact O-N 3.08Å; H399-T402 PolarHBondContact O-OG1 3.3Å; R400-T402 PolarHBondContact O-N 3.42Å; R400-T402 VanDerWaalsContact O-N 3.11Å |
| 403 | H | 93.6 | Very high | 93.6 | Very high | 76 Ų | 76 | 70.6 Ų | 70.6 | 35% | 0.352 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -86.7 | -45 | 177 | -59.8 | -56.1 | 0 | 0 | 0 | 111.1 | C383 E385 C386 H399 R400 R401 G405 | C383-H403 PolarHBondContact SG-NE2 3.25Å; C383-H403 VanDerWaalsContact SG-NE2 3.45Å; E385-H403 WeakPolarHBondContact OE2-CB 3.38Å; E385-H403 IonicContact OE2-CD2 3.51Å; E385-H403 PolarHBondContact OE2-CD2 3Å; E385-H403 IonicContact OE2-CG 3.89Å; C386-H403 PolarHBondContact SG-NE2 3.05Å; C386-H403 VanDerWaalsContact SG-NE2 3.43Å; H399-H403 AromaticContact CE1-NE2 3.57Å; H399-H403 AromaticContact NE2-CE1 3.99Å; H399-H403 AromaticContact NE2-NE2 3.18Å; H399-H403 PolarHBondContact NE2-NE2 2.86Å; H399-H403 VanDerWaalsContact NE2-NE2 3.18Å; R400-H403 PolarHBondContact O-N 3.31Å; R401-H403 VanDerWaalsContact C-N 3.33Å; H403-G405 PolarHBondContact O-N 3.21Å |
| 404 | S | 92.4 | Very high | 93.6 | Very high | 73 Ų | 73 | 70 Ų | 70 | 51% | 0.51 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -73.3 | -15.5 | 176.7 | 66.6 | 0 | 0 | 0 | 0 | 114 | R400 E406 | R400-S404 PolarHBondContact O-N 3.44Å; S404-E406 PolarHBondContact O-N 3.28Å; S404-E406 WeakPolarHBondContact OG-CG 3.21Å; S404-E406 PolarHBondContact OG-N 3.44Å |
| 405 | G | 91.9 | Very high | 93.6 | Very high | 51 Ų | 51 | 69.9 Ų | 69.9 | 53% | 0.526 | 40% | 0.395 | S | S | . | . | trans | 72.5 | 6.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R401 H403 R407 | R401-G405 CarbonylContact O-C 3.24Å; R401-G405 WeakPolarHBondContact O-CA 3.37Å; R401-G405 PolarHBondContact O-N 2.77Å; R401-G405 VanDerWaalsContact O-N 3.1Å; H403-G405 PolarHBondContact O-N 3.21Å; G405-R407 PolarHBondContact O-N 3.4Å | ||
| 406 | E | 93.3 | Very high | 93.6 | Very high | 111 Ų | 111 | 73.8 Ų | 73.8 | 52% | 0.519 | 41% | 0.406 | S | S | . | . | trans | -60.6 | 124.7 | 179.6 | -79.4 | -178.9 | -171.2 | 0 | 0 | 112.3 | R401 S404 N419 | R401-E406 HydrophobicContact CB-CB 4.25Å; R401-E406 HydrophobicContact CG-CB 4.14Å; R401-E406 PolarHBondContact O-N 3.26Å; S404-E406 PolarHBondContact O-N 3.28Å; S404-E406 WeakPolarHBondContact OG-CG 3.21Å; S404-E406 PolarHBondContact OG-N 3.44Å; E406-N419 WeakPolarHBondContact O-CB 3.42Å | ||
| 407 | R | 93 | Very high | 93.5 | Very high | 136 Ų | 136 | 78.8 Ų | 78.8 | 51% | 0.513 | 42% | 0.423 | S | S | . | . | trans | -128.9 | 80.5 | 176.6 | -63 | 170 | 85.8 | 153.2 | 4.7 | 109.7 | G405 Y409 R417 F418 N419 | G405-R407 PolarHBondContact O-N 3.4Å; R407-Y409 PolarHBondContact O-N 2.71Å; R407-R417 HydrophobicContact CB-CB 3.57Å; R407-R417 HydrophobicContact CG-CB 4.44Å; R407-R417 PolarHBondContact NE-O 3.07Å; R407-R417 PolarHBondContact NH2-O 2.82Å; R407-R417 PolarHBondContact O-NE 3.48Å; R407-R417 PolarHBondContact O-NH2 2.96Å; R407-F418 CarbonylContact C-O 3.5Å; R407-F418 VanDerWaalsContact C-O 3.29Å; R407-F418 VanDerWaalsContact CA-O 3.3Å; R407-F418 WeakPolarHBondContact CA-O 3.25Å; R407-N419 HydrophobicContact CG-CB 4.46Å | ||
| 408 | P | 91.3 | Very high | 93.4 | Very high | 64 Ų | 64 | 76.9 Ų | 76.9 | 42% | 0.416 | 41% | 0.409 | S | S | . | . | trans | -65.1 | -26.6 | -173.6 | -22.9 | 34.7 | 0 | 0 | 0 | 113.4 | ||||
| 409 | Y | 94.8 | Very high | 93.3 | Very high | 51 Ų | 51 | 76.2 Ų | 76.2 | 20% | 0.2 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 105.2 | -172.1 | -51.1 | -75.4 | 0 | 0 | 0 | 110.7 | R407 R417 F418 F424 | R407-Y409 PolarHBondContact O-N 2.71Å; Y409-R417 CarbonylContact O-C 3.58Å; Y409-R417 VanDerWaalsContact O-CA 3.27Å; Y409-R417 WeakPolarHBondContact O-CA 3.35Å; Y409-F418 WeakPolarHBondContact CD2-O 3.32Å; Y409-F418 PolarHBondContact N-O 3.36Å; Y409-F418 VanDerWaalsContact N-O 3.13Å; Y409-F418 PolarHBondContact O-N 3.36Å; Y409-F424 HydrophobicContact CD1-CD1 4.49Å; Y409-F424 HydrophobicContact CG-CB 4.32Å |
| 410 | A | 94.3 | Very high | 93.2 | Very high | 43 Ų | 43 | 76.4 Ų | 76.4 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 136.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | R417 F424 | A410-R417 HydrophobicContact CB-CG 4.1Å; A410-F424 VanDerWaalsContact O-CE2 3.32Å; A410-F424 WeakPolarHBondContact O-CE2 3.45Å; A410-F424 WeakPolarHBondContact O-CZ 3.25Å |
| 411 | C | 94.6 | Very high | 93 | Very high | 5 Ų | 5 | 73.1 Ų | 73.1 | 3% | 0.034 | 40% | 0.403 | C | S | . | . | trans | -84.2 | 116.2 | 170.6 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | Q413 G415 K416 F424 H427 H431 | C411-Q413 VanDerWaalsContact C-N 3.25Å; C411-Q413 PolarHBondContact O-N 3.37Å; C411-G415 WeakPolarHBondContact O-CA 3.33Å; C411-G415 PolarHBondContact O-N 2.98Å; C411-K416 WeakPolarHBondContact CB-O 3.35Å; C411-K416 PolarHBondContact N-O 3.5Å; C411-F424 HydrophobicContact CB-CE2 3.95Å; C411-H427 PolarHBondContact SG-NE2 3.45Å; C411-H431 PolarHBondContact SG-NE2 2.8Å | ||
| 412 | T | 93.1 | Very high | 92.8 | Very high | 144 Ų | 144 | 74.7 Ų | 74.7 | 88% | 0.883 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -27.6 | 177.3 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 413 | Q | 92.3 | Very high | 92.6 | Very high | 131 Ų | 131 | 75.8 Ų | 75.8 | 61% | 0.612 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -27.2 | -177.6 | -68.8 | 175.7 | -10.4 | 0 | 0 | 113.8 | C411 H431 | C411-Q413 VanDerWaalsContact C-N 3.25Å; C411-Q413 PolarHBondContact O-N 3.37Å; Q413-H431 PolarHBondContact OE1-CD2 3.34Å |
| 414 | C | 93.4 | Very high | 92.6 | Very high | 53 Ų | 53 | 74 Ų | 74 | 36% | 0.358 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.5 | 12.5 | -177 | 76.6 | 0 | 0 | 0 | 0 | 114.8 | K416 H427 | C414-K416 PolarHBondContact O-N 2.93Å; C414-H427 VanDerWaalsContact SG-CE1 3.56Å; C414-H427 PolarHBondContact SG-NE2 3.34Å |
| 415 | G | 91.1 | Very high | 92.5 | Very high | 58 Ų | 58 | 72.4 Ų | 72.4 | 60% | 0.598 | 40% | 0.401 | S | S | * | . | trans | 67.9 | -6.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | C411 R417 | C411-G415 WeakPolarHBondContact O-CA 3.33Å; C411-G415 PolarHBondContact O-N 2.98Å; G415-R417 PolarHBondContact O-N 3.25Å | ||
| 416 | K | 93.6 | Very high | 92.4 | Very high | 126 Ų | 126 | 70.7 Ų | 70.7 | 55% | 0.548 | 38% | 0.382 | S | S | . | . | trans | -66 | 129.8 | -176.3 | -72.8 | -179.8 | -176.9 | 177.8 | 0 | 110.9 | C411 C414 F418 | C411-K416 WeakPolarHBondContact CB-O 3.35Å; C411-K416 PolarHBondContact N-O 3.5Å; C414-K416 PolarHBondContact O-N 2.93Å; K416-F418 HydrophobicContact CB-CE2 3.89Å; K416-F418 HydrophobicContact CB-CZ 4.04Å; K416-F418 WeakPolarHBondContact O-CE2 3.39Å | ||
| 417 | R | 93.9 | Very high | 92.3 | Very high | 132 Ų | 132 | 66.4 Ų | 66.4 | 50% | 0.498 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 152.8 | 179.1 | -51.6 | -173 | 67.1 | 119 | -0.4 | 112.1 | R407 Y409 A410 G415 | R407-R417 HydrophobicContact CB-CB 3.57Å; R407-R417 HydrophobicContact CG-CB 4.44Å; R407-R417 PolarHBondContact NE-O 3.07Å; R407-R417 PolarHBondContact NH2-O 2.82Å; R407-R417 PolarHBondContact O-NE 3.48Å; R407-R417 PolarHBondContact O-NH2 2.96Å; Y409-R417 CarbonylContact O-C 3.58Å; Y409-R417 VanDerWaalsContact O-CA 3.27Å; Y409-R417 WeakPolarHBondContact O-CA 3.35Å; A410-R417 HydrophobicContact CB-CG 4.1Å; G415-R417 PolarHBondContact O-N 3.25Å |
| 418 | F | 92.6 | Very high | 92.3 | Very high | 36 Ų | 36 | 66.4 Ų | 66.4 | 16% | 0.158 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 146.9 | -178.9 | -56.7 | -94.8 | 0 | 0 | 0 | 110.3 | R407 Y409 K416 H423 F424 H427 | R407-F418 CarbonylContact C-O 3.5Å; R407-F418 VanDerWaalsContact C-O 3.29Å; R407-F418 VanDerWaalsContact CA-O 3.3Å; R407-F418 WeakPolarHBondContact CA-O 3.25Å; Y409-F418 WeakPolarHBondContact CD2-O 3.32Å; Y409-F418 PolarHBondContact N-O 3.36Å; Y409-F418 VanDerWaalsContact N-O 3.13Å; Y409-F418 PolarHBondContact O-N 3.36Å; K416-F418 HydrophobicContact CB-CE2 3.89Å; K416-F418 HydrophobicContact CB-CZ 4.04Å; K416-F418 WeakPolarHBondContact O-CE2 3.39Å; F418-H423 HydrophobicContact CD1-CB 4.05Å; F418-F424 HydrophobicContact CB-CB 4.05Å; F418-F424 HydrophobicContact CD2-CB 3.99Å; F418-F424 AromaticContact CD2-CD2 3.7Å; F418-F424 HydrophobicContact CD2-CD2 3.7Å; F418-F424 HydrophobicContact CD2-CG 4.33Å; F418-F424 HydrophobicContact CE2-CD2 4.08Å; F418-F424 HydrophobicContact CG-CB 4.09Å; F418-H427 HydrophobicContact CE1-CB 3.89Å; F418-H427 HydrophobicContact CE2-CB 3.91Å; F418-H427 AromaticContact CE2-CD2 3.29Å; F418-H427 WeakPolarHBondContact CE2-CD2 3.41Å; F418-H427 AromaticContact CE2-CG 3.63Å; F418-H427 HydrophobicContact CZ-CB 3.39Å; F418-H427 AromaticContact CZ-CD2 3.38Å; F418-H427 WeakPolarHBondContact CZ-CD2 3.18Å; F418-H427 AromaticContact CZ-CG 3.21Å; F418-H427 AromaticContact CZ-ND1 3.86Å |
| 419 | N | 91.8 | Very high | 92.3 | Very high | 40 Ų | 40 | 66.6 Ų | 66.6 | 21% | 0.214 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -87 | -10.6 | 175.1 | 60.1 | 6 | 0 | 0 | 0 | 113.1 | R401 E406 R407 | R401-N419 HydrophobicContact CB-CB 4Å; R401-N419 WeakPolarHBondContact CD-O 3.23Å; R401-N419 PolarHBondContact NH1-O 2.92Å; E406-N419 WeakPolarHBondContact O-CB 3.42Å; R407-N419 HydrophobicContact CG-CB 4.46Å |
| 420 | N | 92 | Very high | 92.1 | Very high | 30 Ų | 30 | 66.5 Ų | 66.5 | 16% | 0.16 | 36% | 0.359 | C | S | . | . | trans | -131.2 | 128.7 | -176.8 | -178.9 | -5.5 | 0 | 0 | 0 | 110.8 | I398 S422 H423 F424 | I398-N420 HydrophobicContact CG2-CB 4.14Å; N420-S422 VanDerWaalsContact C-N 3.32Å; N420-S422 PolarHBondContact O-N 3.03Å; N420-S422 PolarHBondContact OD1-N 2.94Å; N420-H423 HydrophobicContact CB-CB 4.29Å; N420-H423 PolarHBondContact O-N 3.26Å; N420-F424 PolarHBondContact O-N 2.7Å | ||
| 421 | S | 92 | Very high | 91.9 | Very high | 47 Ų | 47 | 68 Ų | 68 | 33% | 0.329 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.9 | -37.5 | 178 | 177.5 | 0 | 0 | 0 | 0 | 112.9 | H423 F424 S425 | S421-H423 VanDerWaalsContact C-N 3.34Å; S421-H423 PolarHBondContact O-N 2.69Å; S421-F424 WeakPolarHBondContact O-CB 3.48Å; S421-F424 PolarHBondContact O-N 3.2Å; S421-S425 WeakPolarHBondContact O-CB 3.29Å; S421-S425 PolarHBondContact O-N 3.39Å; S421-S425 PolarHBondContact O-OG 3.44Å |
| 422 | S | 88.9 | Confident | 91.6 | Very high | 83 Ų | 83 | 71.6 Ų | 71.6 | 58% | 0.58 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.4 | -38.8 | 179.1 | -64.1 | 0 | 0 | 0 | 0 | 111.8 | N420 A426 | N420-S422 VanDerWaalsContact C-N 3.32Å; N420-S422 PolarHBondContact O-N 3.03Å; N420-S422 PolarHBondContact OD1-N 2.94Å; S422-A426 WeakPolarHBondContact O-CB 3.03Å; S422-A426 PolarHBondContact O-N 3.45Å |
| 423 | H | 90.3 | Very high | 91.4 | Very high | 102 Ų | 102 | 66.5 Ų | 66.5 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 174.5 | -68.6 | 175.6 | 0 | 0 | 0 | 111.4 | F418 N420 S421 A426 H427 | F418-H423 HydrophobicContact CD1-CB 4.05Å; N420-H423 HydrophobicContact CB-CB 4.29Å; N420-H423 PolarHBondContact O-N 3.26Å; S421-H423 VanDerWaalsContact C-N 3.34Å; S421-H423 PolarHBondContact O-N 2.69Å; H423-A426 PolarHBondContact O-N 2.91Å; H423-H427 WeakPolarHBondContact O-CB 3.33Å; H423-H427 PolarHBondContact O-N 2.74Å |
| 424 | F | 93.8 | Very high | 91.3 | Very high | 38 Ų | 38 | 65.3 Ų | 65.3 | 17% | 0.167 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 174.2 | 173 | -119.6 | 0 | 0 | 0 | 112.3 | Y409 A410 C411 F418 N420 S421 A426 H427 R428 | Y409-F424 HydrophobicContact CD1-CD1 4.49Å; Y409-F424 HydrophobicContact CG-CB 4.32Å; A410-F424 VanDerWaalsContact O-CE2 3.32Å; A410-F424 WeakPolarHBondContact O-CE2 3.45Å; A410-F424 WeakPolarHBondContact O-CZ 3.25Å; C411-F424 HydrophobicContact CB-CE2 3.95Å; F418-F424 HydrophobicContact CB-CB 4.05Å; F418-F424 HydrophobicContact CD2-CB 3.99Å; F418-F424 AromaticContact CD2-CD2 3.7Å; F418-F424 HydrophobicContact CD2-CD2 3.7Å; F418-F424 HydrophobicContact CD2-CG 4.33Å; F418-F424 HydrophobicContact CE2-CD2 4.08Å; F418-F424 HydrophobicContact CG-CB 4.09Å; N420-F424 PolarHBondContact O-N 2.7Å; S421-F424 WeakPolarHBondContact O-CB 3.48Å; S421-F424 PolarHBondContact O-N 3.2Å; F424-A426 PolarHBondContact O-N 2.92Å; F424-H427 CarbonylContact O-C 3.4Å; F424-H427 WeakPolarHBondContact O-CB 3.38Å; F424-H427 PolarHBondContact O-N 2.92Å; F424-H427 VanDerWaalsContact O-N 3.13Å; F424-R428 HydrophobicContact CD2-CG 4.43Å; F424-R428 HydrophobicContact CE1-CG 4.38Å; F424-R428 HydrophobicContact CE2-CG 3.97Å; F424-R428 HydrophobicContact CZ-CG 3.97Å; F424-R428 PolarHBondContact O-N 3.19Å |
| 425 | S | 90.9 | Very high | 91.1 | Very high | 40 Ų | 40 | 68.4 Ų | 68.4 | 28% | 0.28 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 178.4 | -63.8 | 0 | 0 | 0 | 0 | 112 | S421 H427 R428 | S421-S425 WeakPolarHBondContact O-CB 3.29Å; S421-S425 PolarHBondContact O-N 3.39Å; S421-S425 PolarHBondContact O-OG 3.44Å; S425-H427 VanDerWaalsContact C-N 3.33Å; S425-R428 PolarHBondContact O-N 3.38Å |
| 426 | A | 89.4 | Confident | 91.1 | Very high | 15 Ų | 15 | 69.3 Ų | 69.3 | 12% | 0.124 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S422 H423 F424 R429 R448 | S422-A426 WeakPolarHBondContact O-CB 3.03Å; S422-A426 PolarHBondContact O-N 3.45Å; H423-A426 PolarHBondContact O-N 2.91Å; F424-A426 PolarHBondContact O-N 2.92Å; A426-R429 PolarHBondContact O-N 3.5Å; A426-R448 HydrophobicContact CB-CG 3.92Å |
| 427 | H | 92.4 | Very high | 91 | Very high | 21 Ų | 21 | 67.8 Ų | 67.8 | 10% | 0.097 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 174.3 | 168.8 | 63.3 | 0 | 0 | 0 | 112.1 | C411 C414 F418 H423 F424 S425 R429 T430 H431 | C411-H427 PolarHBondContact SG-NE2 3.45Å; C414-H427 VanDerWaalsContact SG-CE1 3.56Å; C414-H427 PolarHBondContact SG-NE2 3.34Å; F418-H427 HydrophobicContact CE1-CB 3.89Å; F418-H427 HydrophobicContact CE2-CB 3.91Å; F418-H427 AromaticContact CE2-CD2 3.29Å; F418-H427 WeakPolarHBondContact CE2-CD2 3.41Å; F418-H427 AromaticContact CE2-CG 3.63Å; F418-H427 HydrophobicContact CZ-CB 3.39Å; F418-H427 AromaticContact CZ-CD2 3.38Å; F418-H427 WeakPolarHBondContact CZ-CD2 3.18Å; F418-H427 AromaticContact CZ-CG 3.21Å; F418-H427 AromaticContact CZ-ND1 3.86Å; H423-H427 WeakPolarHBondContact O-CB 3.33Å; H423-H427 PolarHBondContact O-N 2.74Å; F424-H427 CarbonylContact O-C 3.4Å; F424-H427 WeakPolarHBondContact O-CB 3.38Å; F424-H427 PolarHBondContact O-N 2.92Å; F424-H427 VanDerWaalsContact O-N 3.13Å; S425-H427 VanDerWaalsContact C-N 3.33Å; H427-R429 PolarHBondContact O-N 3.47Å; H427-R429 VanDerWaalsContact O-N 3.13Å; H427-T430 PolarHBondContact ND1-OG1 3.43Å; H427-T430 VanDerWaalsContact O-CB 3.31Å; H427-T430 WeakPolarHBondContact O-CB 3.15Å; H427-T430 WeakPolarHBondContact O-CG2 3.38Å; H427-T430 PolarHBondContact O-N 3.03Å; H427-T430 PolarHBondContact O-OG1 3.12Å; H427-H431 AromaticContact CE1-CE1 3.97Å; H427-H431 AromaticContact CE1-NE2 3.5Å; H427-H431 AromaticContact NE2-NE2 3.27Å; H427-H431 PolarHBondContact NE2-NE2 3.49Å |
| 428 | R | 92.3 | Very high | 91 | Very high | 136 Ų | 136 | 65.7 Ų | 65.7 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.5 | -34.2 | 177.2 | -75.6 | -178.8 | 60.7 | -114.9 | -4.4 | 113 | F424 S425 T430 H431 | F424-R428 HydrophobicContact CD2-CG 4.43Å; F424-R428 HydrophobicContact CE1-CG 4.38Å; F424-R428 HydrophobicContact CE2-CG 3.97Å; F424-R428 HydrophobicContact CZ-CG 3.97Å; F424-R428 PolarHBondContact O-N 3.19Å; S425-R428 PolarHBondContact O-N 3.38Å; R428-T430 PolarHBondContact O-N 3.47Å; R428-T430 VanDerWaalsContact O-N 3.15Å; R428-H431 PolarHBondContact O-N 3.22Å |
| 429 | R | 91.3 | Very high | 91 | Very high | 67 Ų | 67 | 64.1 Ų | 64.1 | 25% | 0.253 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.2 | -13.6 | 175 | -58.3 | -176.3 | -165.7 | 114.8 | 9.2 | 113.7 | A426 H427 H431 G433 E434 R447 | A426-R429 PolarHBondContact O-N 3.5Å; H427-R429 PolarHBondContact O-N 3.47Å; H427-R429 VanDerWaalsContact O-N 3.13Å; R429-H431 VanDerWaalsContact C-N 3.27Å; R429-G433 PolarHBondContact O-N 3.46Å; R429-G433 VanDerWaalsContact O-N 3.08Å; R429-E434 HydrophobicContact CB-CB 4.45Å; R429-R447 PolarHBondContact NH1-O 3.25Å |
| 430 | T | 90.8 | Very high | 91 | Very high | 49 Ų | 49 | 67.6 Ų | 67.6 | 30% | 0.301 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.4 | -29.1 | 175.1 | 70.2 | 0 | 0 | 0 | 0 | 112.8 | H427 R428 R447 | H427-T430 PolarHBondContact ND1-OG1 3.43Å; H427-T430 VanDerWaalsContact O-CB 3.31Å; H427-T430 WeakPolarHBondContact O-CB 3.15Å; H427-T430 WeakPolarHBondContact O-CG2 3.38Å; H427-T430 PolarHBondContact O-N 3.03Å; H427-T430 PolarHBondContact O-OG1 3.12Å; R428-T430 PolarHBondContact O-N 3.47Å; R428-T430 VanDerWaalsContact O-N 3.15Å; T430-R447 VanDerWaalsContact CA-CZ 3.46Å; T430-R447 VanDerWaalsContact CB-NH1 3.33Å; T430-R447 VanDerWaalsContact CG2-NH1 3.3Å; T430-R447 PolarHBondContact O-NH2 3.42Å |
| 431 | H | 90.4 | Very high | 90.8 | Very high | 76 Ų | 76 | 69.7 Ų | 69.7 | 35% | 0.352 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -85.7 | -37.9 | -179.5 | -57.6 | -54 | 0 | 0 | 0 | 112.1 | C411 Q413 H427 R428 R429 G433 | C411-H431 PolarHBondContact SG-NE2 2.8Å; Q413-H431 PolarHBondContact OE1-CD2 3.34Å; H427-H431 AromaticContact CE1-CE1 3.97Å; H427-H431 AromaticContact CE1-NE2 3.5Å; H427-H431 AromaticContact NE2-NE2 3.27Å; H427-H431 PolarHBondContact NE2-NE2 3.49Å; R428-H431 PolarHBondContact O-N 3.22Å; R429-H431 VanDerWaalsContact C-N 3.27Å; H431-G433 VanDerWaalsContact C-N 3.3Å |
| 432 | T | 88.6 | Confident | 90.8 | Very high | 79 Ų | 79 | 70.6 Ų | 70.6 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -78.4 | -16.5 | 176 | 61.9 | 0 | 0 | 0 | 0 | 113 | E434 | T432-E434 PolarHBondContact O-N 3.01Å; T432-E434 WeakPolarHBondContact OG1-CG 3.33Å; T432-E434 PolarHBondContact OG1-N 3.37Å |
| 433 | G | 87.6 | Confident | 90.9 | Very high | 37 Ų | 37 | 69.3 Ų | 69.3 | 38% | 0.381 | 39% | 0.392 | S | S | . | . | trans | 73.5 | -0 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R429 H431 K435 | R429-G433 PolarHBondContact O-N 3.46Å; R429-G433 VanDerWaalsContact O-N 3.08Å; H431-G433 VanDerWaalsContact C-N 3.3Å; G433-K435 PolarHBondContact O-N 2.9Å | ||
| 434 | E | 89.9 | Confident | 91 | Very high | 107 Ų | 107 | 72 Ų | 72 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | trans | -55 | 128.7 | 179.6 | -75.1 | 173.7 | -166.1 | 0 | 0 | 112 | R429 T432 | R429-E434 HydrophobicContact CB-CB 4.45Å; T432-E434 PolarHBondContact O-N 3.01Å; T432-E434 WeakPolarHBondContact OG1-CG 3.33Å; T432-E434 PolarHBondContact OG1-N 3.37Å | ||
| 435 | K | 90.3 | Very high | 90.8 | Very high | 118 Ų | 118 | 71 Ų | 71 | 51% | 0.513 | 40% | 0.398 | S | S | . | . | trans | -125.9 | 77.1 | 177.3 | -73.6 | 167.6 | 176.4 | -179 | 0 | 109.8 | G433 Y437 G445 F446 R447 | G433-K435 PolarHBondContact O-N 2.9Å; K435-Y437 PolarHBondContact O-N 2.81Å; K435-Y437 VanDerWaalsContact O-N 3.13Å; K435-G445 WeakPolarHBondContact CD-O 3.2Å; K435-F446 CarbonylContact C-O 3.33Å; K435-F446 VanDerWaalsContact CA-O 3.3Å; K435-F446 WeakPolarHBondContact CA-O 3.49Å; K435-R447 HydrophobicContact CG-CG 4.1Å | ||
| 436 | P | 90.2 | Very high | 90.8 | Very high | 76 Ų | 76 | 70.4 Ų | 70.4 | 49% | 0.494 | 39% | 0.391 | S | S | . | . | trans | -66.7 | -16 | -173.5 | -20.3 | 33.4 | 0 | 0 | 0 | 114.2 | ||||
| 437 | Y | 91.4 | Very high | 90.7 | Very high | 94 Ų | 94 | 73.9 Ų | 73.9 | 37% | 0.369 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 105.4 | -173.3 | -57.1 | -82.6 | 0 | 0 | 0 | 109.8 | K435 G445 F446 | K435-Y437 PolarHBondContact O-N 2.81Å; K435-Y437 VanDerWaalsContact O-N 3.13Å; Y437-G445 CarbonylContact O-C 3.51Å; Y437-G445 WeakPolarHBondContact O-CA 3.27Å; Y437-F446 PolarHBondContact N-O 3.42Å; Y437-F446 PolarHBondContact O-N 2.81Å |
| 438 | T | 93.9 | Very high | 90.5 | Very high | 89 Ų | 89 | 78 Ų | 78 | 55% | 0.546 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 138.3 | 178.5 | 48.8 | 0 | 0 | 0 | 0 | 111 | P440 | T438-P440 WeakPolarHBondContact O-CD 3.45Å |
| 439 | C | 93.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.014 | 41% | 0.405 | C | S | . | . | trans | -74.4 | 122.8 | 171.8 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | A441 G443 R444 F446 L452 H459 | C439-A441 PolarHBondContact O-N 3.46Å; C439-G443 VanDerWaalsContact O-CA 3.24Å; C439-G443 WeakPolarHBondContact O-CA 3.25Å; C439-G443 PolarHBondContact O-N 3.12Å; C439-R444 PolarHBondContact N-O 2.98Å; C439-F446 HydrophobicContact CB-CE2 4.25Å; C439-L452 HydrophobicContact CB-CD1 3.66Å; C439-H459 PolarHBondContact SG-NE2 3.08Å; C439-H459 VanDerWaalsContact SG-NE2 3.41Å | ||
| 440 | P | 90.3 | Very high | 90.3 | Very high | 114 Ų | 114 | 73.8 Ų | 73.8 | 74% | 0.74 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -25.9 | 178.8 | 26.2 | -33.5 | 0 | 0 | 0 | 112.7 | T438 | T438-P440 WeakPolarHBondContact O-CD 3.45Š|
| 441 | A | 89.4 | Confident | 90.3 | Very high | 74 Ų | 74 | 73.4 Ų | 73.4 | 61% | 0.612 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -33.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C439 | C439-A441 PolarHBondContact O-N 3.46Š|
| 442 | C | 92.5 | Very high | 90.5 | Very high | 65 Ų | 65 | 70.7 Ų | 70.7 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.5 | 4.6 | -173.7 | 71.2 | 0 | 0 | 0 | 0 | 114.6 | R444 H455 | C442-R444 PolarHBondContact O-N 3.16Å; C442-R444 VanDerWaalsContact SG-CB 3.57Å; C442-H455 PolarHBondContact SG-NE2 3.3Å |
| 443 | G | 90 | Very high | 90.6 | Very high | 56 Ų | 56 | 72.5 Ų | 72.5 | 58% | 0.577 | 41% | 0.405 | S | S | * | . | trans | 70.1 | -3.9 | 180 | 0 | 0 | 0 | 0 | 0 | 115.6 | C439 G445 | C439-G443 VanDerWaalsContact O-CA 3.24Å; C439-G443 WeakPolarHBondContact O-CA 3.25Å; C439-G443 PolarHBondContact O-N 3.12Å; G443-G445 PolarHBondContact O-N 2.91Å | ||
| 444 | R | 91.6 | Very high | 90.7 | Very high | 160 Ų | 160 | 76.7 Ų | 76.7 | 60% | 0.604 | 41% | 0.412 | S | S | * | . | trans | -65.5 | 126.5 | -176.4 | -172.1 | 171 | 178.9 | 174.8 | 3.2 | 111.6 | C439 C442 F446 | C439-R444 PolarHBondContact N-O 2.98Å; C442-R444 PolarHBondContact O-N 3.16Å; C442-R444 VanDerWaalsContact SG-CB 3.57Å; R444-F446 HydrophobicContact CB-CE2 3.93Å; R444-F446 HydrophobicContact CB-CZ 4.23Å; R444-F446 HydrophobicContact CG-CE2 3.83Å; R444-F446 HydrophobicContact CG-CZ 3.77Å; R444-F446 VanDerWaalsContact O-CD2 3.27Å; R444-F446 WeakPolarHBondContact O-CD2 3.49Å; R444-F446 WeakPolarHBondContact O-CE2 3.25Å | ||
| 445 | G | 91.1 | Very high | 90.8 | Very high | 17 Ų | 17 | 72.9 Ų | 72.9 | 18% | 0.175 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 141.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K435 Y437 G443 | K435-G445 WeakPolarHBondContact CD-O 3.2Å; Y437-G445 CarbonylContact O-C 3.51Å; Y437-G445 WeakPolarHBondContact O-CA 3.27Å; G443-G445 PolarHBondContact O-N 2.91Å |
| 446 | F | 89.3 | Confident | 90.9 | Very high | 27 Ų | 27 | 70.3 Ų | 70.3 | 12% | 0.118 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 149.8 | -179.6 | -62.2 | -91.1 | 0 | 0 | 0 | 111.2 | K435 Y437 C439 R444 D451 L452 H455 | K435-F446 CarbonylContact C-O 3.33Å; K435-F446 VanDerWaalsContact CA-O 3.3Å; K435-F446 WeakPolarHBondContact CA-O 3.49Å; Y437-F446 PolarHBondContact N-O 3.42Å; Y437-F446 PolarHBondContact O-N 2.81Å; C439-F446 HydrophobicContact CB-CE2 4.25Å; R444-F446 HydrophobicContact CB-CE2 3.93Å; R444-F446 HydrophobicContact CB-CZ 4.23Å; R444-F446 HydrophobicContact CG-CE2 3.83Å; R444-F446 HydrophobicContact CG-CZ 3.77Å; R444-F446 VanDerWaalsContact O-CD2 3.27Å; R444-F446 WeakPolarHBondContact O-CD2 3.49Å; R444-F446 WeakPolarHBondContact O-CE2 3.25Å; F446-D451 HydrophobicContact CB-CB 4.4Å; F446-D451 HydrophobicContact CD1-CB 3.86Å; F446-D451 HydrophobicContact CG-CB 4.47Å; F446-L452 HydrophobicContact CB-CB 4.2Å; F446-L452 HydrophobicContact CD2-CB 3.94Å; F446-L452 HydrophobicContact CD2-CD1 3.84Å; F446-L452 HydrophobicContact CD2-CG 4.49Å; F446-L452 HydrophobicContact CE2-CD1 4Å; F446-L452 HydrophobicContact CG-CB 4.13Å; F446-H455 HydrophobicContact CE1-CB 3.82Å; F446-H455 HydrophobicContact CE2-CB 4.02Å; F446-H455 AromaticContact CE2-CD2 3.37Å; F446-H455 WeakPolarHBondContact CE2-CD2 3.41Å; F446-H455 AromaticContact CE2-CG 3.81Å; F446-H455 HydrophobicContact CZ-CB 3.38Å; F446-H455 AromaticContact CZ-CD2 3.3Å; F446-H455 WeakPolarHBondContact CZ-CD2 3.3Å; F446-H455 AromaticContact CZ-CG 3.26Å |
| 447 | R | 88.3 | Confident | 90.9 | Very high | 88 Ų | 88 | 73.9 Ų | 73.9 | 33% | 0.332 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -83 | -22.1 | -179.8 | -62.1 | -179 | 175.2 | 158 | -6 | 113.2 | R429 T430 K435 | R429-R447 PolarHBondContact NH1-O 3.25Å; T430-R447 VanDerWaalsContact CA-CZ 3.46Å; T430-R447 VanDerWaalsContact CB-NH1 3.33Å; T430-R447 VanDerWaalsContact CG2-NH1 3.3Å; T430-R447 PolarHBondContact O-NH2 3.42Å; K435-R447 HydrophobicContact CG-CG 4.1Å |
| 448 | R | 87.9 | Confident | 90.7 | Very high | 107 Ų | 107 | 73.5 Ų | 73.5 | 40% | 0.404 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -132.3 | 141.7 | 179.2 | -53.7 | -177.3 | -63.8 | -177.2 | 1.2 | 110 | A426 T450 D451 L452 | A426-R448 HydrophobicContact CB-CG 3.92Å; R448-T450 VanDerWaalsContact C-N 3.26Å; R448-T450 PolarHBondContact O-N 3.2Å; R448-D451 WeakPolarHBondContact CB-OD2 3.31Å; R448-D451 IonicContact CZ-OD1 3.36Å; R448-D451 IonicContact CZ-OD2 2.76Å; R448-D451 IonicContact NE-OD1 2.69Å; R448-D451 IonicContact NE-OD2 2.71Å; R448-D451 PolarHBondContact NE-OD2 3.48Å; R448-D451 IonicContact NH2-OD1 3.55Å; R448-D451 PolarHBondContact NH2-OD1 3.06Å; R448-D451 IonicContact NH2-OD2 3.38Å; R448-D451 PolarHBondContact NH2-OD2 3.4Å; R448-D451 PolarHBondContact O-N 3.4Å; R448-L452 PolarHBondContact O-N 2.97Å |
| 449 | G | 90 | Very high | 90.3 | Very high | 28 Ų | 28 | 73.4 Ų | 73.4 | 29% | 0.289 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.1 | -30.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | D451 L452 H453 | G449-D451 VanDerWaalsContact C-N 3.31Å; G449-D451 PolarHBondContact O-N 2.81Å; G449-L452 WeakPolarHBondContact O-CB 3.41Å; G449-L452 PolarHBondContact O-N 3.01Å; G449-H453 WeakPolarHBondContact O-CB 3.22Å; G449-H453 PolarHBondContact O-N 3.05Å |
| 450 | T | 90 | Very high | 89.4 | Confident | 86 Ų | 86 | 79 Ų | 79 | 53% | 0.528 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.7 | -34.6 | 175.3 | 49.1 | 0 | 0 | 0 | 0 | 112.8 | R448 H453 K454 | R448-T450 VanDerWaalsContact C-N 3.26Å; R448-T450 PolarHBondContact O-N 3.2Å; T450-H453 PolarHBondContact O-N 3.18Å; T450-K454 WeakPolarHBondContact O-CG 3.38Å; T450-K454 PolarHBondContact O-N 3.25Å |
| 451 | D | 90.9 | Very high | 87.8 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 22% | 0.219 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.5 | -40.5 | 175.6 | -59.5 | -35.9 | 0 | 0 | 0 | 110.6 | F446 R448 G449 H453 K454 H455 | F446-D451 HydrophobicContact CB-CB 4.4Å; F446-D451 HydrophobicContact CD1-CB 3.86Å; F446-D451 HydrophobicContact CG-CB 4.47Å; R448-D451 WeakPolarHBondContact CB-OD2 3.31Å; R448-D451 IonicContact CZ-OD1 3.36Å; R448-D451 IonicContact CZ-OD2 2.76Å; R448-D451 IonicContact NE-OD1 2.69Å; R448-D451 IonicContact NE-OD2 2.71Å; R448-D451 PolarHBondContact NE-OD2 3.48Å; R448-D451 IonicContact NH2-OD1 3.55Å; R448-D451 PolarHBondContact NH2-OD1 3.06Å; R448-D451 IonicContact NH2-OD2 3.38Å; R448-D451 PolarHBondContact NH2-OD2 3.4Å; R448-D451 PolarHBondContact O-N 3.4Å; G449-D451 VanDerWaalsContact C-N 3.31Å; G449-D451 PolarHBondContact O-N 2.81Å; D451-H453 PolarHBondContact O-N 3.25Å; D451-K454 PolarHBondContact O-N 3.36Å; D451-H455 WeakPolarHBondContact O-CB 3.23Å; D451-H455 PolarHBondContact O-N 2.67Å |
| 452 | L | 93.2 | Very high | 86 | Confident | 20 Ų | 20 | 77.7 Ų | 77.7 | 11% | 0.105 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58.4 | -46.7 | 171.2 | 170.3 | 61.8 | 0 | 0 | 0 | 111 | C439 F446 R448 G449 K454 H455 Q456 | C439-L452 HydrophobicContact CB-CD1 3.66Å; F446-L452 HydrophobicContact CB-CB 4.2Å; F446-L452 HydrophobicContact CD2-CB 3.94Å; F446-L452 HydrophobicContact CD2-CD1 3.84Å; F446-L452 HydrophobicContact CD2-CG 4.49Å; F446-L452 HydrophobicContact CE2-CD1 4Å; F446-L452 HydrophobicContact CG-CB 4.13Å; R448-L452 PolarHBondContact O-N 2.97Å; G449-L452 WeakPolarHBondContact O-CB 3.41Å; G449-L452 PolarHBondContact O-N 3.01Å; L452-K454 VanDerWaalsContact C-N 3.35Å; L452-K454 PolarHBondContact O-N 3.33Å; L452-H455 CarbonylContact O-C 3.33Å; L452-H455 WeakPolarHBondContact O-CA 3.47Å; L452-H455 WeakPolarHBondContact O-CB 3.17Å; L452-H455 PolarHBondContact O-N 3.33Å; L452-H455 VanDerWaalsContact O-N 3.12Å; L452-Q456 HydrophobicContact CD1-CG 3.97Å; L452-Q456 HydrophobicContact CG-CG 4.31Å; L452-Q456 WeakPolarHBondContact O-CG 3.33Å; L452-Q456 PolarHBondContact O-N 3.33Å |
| 453 | H | 90.6 | Very high | 84 | Confident | 116 Ų | 116 | 78.1 Ų | 78.1 | 54% | 0.537 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.5 | -34.8 | -177.7 | -155.2 | 67.5 | 0 | 0 | 0 | 112.7 | G449 T450 D451 Q456 R457 | G449-H453 WeakPolarHBondContact O-CB 3.22Å; G449-H453 PolarHBondContact O-N 3.05Å; T450-H453 PolarHBondContact O-N 3.18Å; D451-H453 PolarHBondContact O-N 3.25Å; H453-Q456 PolarHBondContact ND1-OE1 3.22Å; H453-R457 PolarHBondContact O-N 3.35Å |
| 454 | K | 91.5 | Very high | 81.9 | Confident | 126 Ų | 126 | 79.8 Ų | 79.8 | 55% | 0.548 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 169.2 | -74.2 | 176.2 | -178.1 | -173.2 | 0 | 111.4 | T450 D451 L452 R457 | T450-K454 WeakPolarHBondContact O-CG 3.38Å; T450-K454 PolarHBondContact O-N 3.25Å; D451-K454 PolarHBondContact O-N 3.36Å; L452-K454 VanDerWaalsContact C-N 3.35Å; L452-K454 PolarHBondContact O-N 3.33Å; K454-R457 WeakPolarHBondContact O-CB 3.41Å; K454-R457 PolarHBondContact O-N 3.26Å |
| 455 | H | 91.8 | Very high | 79.6 | Confident | 26 Ų | 26 | 80.5 Ų | 80.5 | 12% | 0.12 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.5 | -37.7 | 176 | 171.3 | 59.9 | 0 | 0 | 0 | 112.9 | C442 F446 D451 L452 R457 T458 H459 | C442-H455 PolarHBondContact SG-NE2 3.3Å; F446-H455 HydrophobicContact CE1-CB 3.82Å; F446-H455 HydrophobicContact CE2-CB 4.02Å; F446-H455 AromaticContact CE2-CD2 3.37Å; F446-H455 WeakPolarHBondContact CE2-CD2 3.41Å; F446-H455 AromaticContact CE2-CG 3.81Å; F446-H455 HydrophobicContact CZ-CB 3.38Å; F446-H455 AromaticContact CZ-CD2 3.3Å; F446-H455 WeakPolarHBondContact CZ-CD2 3.3Å; F446-H455 AromaticContact CZ-CG 3.26Å; D451-H455 WeakPolarHBondContact O-CB 3.23Å; D451-H455 PolarHBondContact O-N 2.67Å; L452-H455 CarbonylContact O-C 3.33Å; L452-H455 WeakPolarHBondContact O-CA 3.47Å; L452-H455 WeakPolarHBondContact O-CB 3.17Å; L452-H455 PolarHBondContact O-N 3.33Å; L452-H455 VanDerWaalsContact O-N 3.12Å; H455-R457 PolarHBondContact O-N 3.16Å; H455-R457 VanDerWaalsContact O-N 3.16Å; H455-T458 PolarHBondContact ND1-OG1 2.89Å; H455-T458 WeakPolarHBondContact O-CB 3.4Å; H455-T458 PolarHBondContact O-N 3.41Å; H455-T458 PolarHBondContact O-OG1 3.32Å; H455-H459 AromaticContact CD2-NE2 3.81Å; H455-H459 AromaticContact CE1-CE1 3.85Å; H455-H459 AromaticContact CE1-NE2 3.32Å; H455-H459 PolarHBondContact CE1-NE2 2.83Å; H455-H459 VanDerWaalsContact CE1-NE2 3.32Å; H455-H459 AromaticContact NE2-CD2 3.9Å; H455-H459 AromaticContact NE2-CE1 3.84Å; H455-H459 AromaticContact NE2-NE2 2.99Å; H455-H459 PolarHBondContact NE2-NE2 3.08Å |
| 456 | Q | 90.9 | Very high | 77.6 | Confident | 64 Ų | 64 | 86.1 Ų | 86.1 | 30% | 0.299 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.7 | -32.7 | 177.2 | -78.1 | 173.3 | -35 | 0 | 0 | 112.1 | L452 H453 T458 H459 | L452-Q456 HydrophobicContact CD1-CG 3.97Å; L452-Q456 HydrophobicContact CG-CG 4.31Å; L452-Q456 WeakPolarHBondContact O-CG 3.33Å; L452-Q456 PolarHBondContact O-N 3.33Å; H453-Q456 PolarHBondContact ND1-OE1 3.22Å; Q456-T458 PolarHBondContact O-N 3.13Å; Q456-H459 WeakPolarHBondContact O-CB 3.41Å; Q456-H459 PolarHBondContact O-N 3.36Å; Q456-H459 VanDerWaalsContact O-N 3.1Å |
| 457 | R | 90.1 | Very high | 75.6 | Confident | 152 Ų | 152 | 92.6 Ų | 92.6 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.2 | -21.5 | 174.5 | -69.8 | -173.9 | -89.2 | 173.1 | -9.8 | 114.1 | H453 K454 H455 H459 T460 G461 | H453-R457 PolarHBondContact O-N 3.35Å; K454-R457 WeakPolarHBondContact O-CB 3.41Å; K454-R457 PolarHBondContact O-N 3.26Å; H455-R457 PolarHBondContact O-N 3.16Å; H455-R457 VanDerWaalsContact O-N 3.16Å; R457-H459 PolarHBondContact O-N 2.86Å; R457-T460 WeakPolarHBondContact CA-OG1 3.29Å; R457-T460 PolarHBondContact O-N 3.07Å; R457-T460 PolarHBondContact O-OG1 3.47Å; R457-G461 PolarHBondContact O-N 3.35Å; R457-G461 VanDerWaalsContact O-N 3.14Å |
| 458 | T | 88.9 | Confident | 73.5 | Confident | 86 Ų | 86 | 96.8 Ų | 96.8 | 53% | 0.528 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -75.3 | -15.6 | 174.5 | 72.5 | 0 | 0 | 0 | 0 | 112.4 | H455 Q456 | H455-T458 PolarHBondContact ND1-OG1 2.89Å; H455-T458 WeakPolarHBondContact O-CB 3.4Å; H455-T458 PolarHBondContact O-N 3.41Å; H455-T458 PolarHBondContact O-OG1 3.32Å; Q456-T458 PolarHBondContact O-N 3.13Å |
| 459 | H | 84.3 | Confident | 71.1 | Confident | 87 Ų | 87 | 99.4 Ų | 99.4 | 40% | 0.403 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -86.2 | -28.5 | 172.3 | -63.2 | -61.1 | 0 | 0 | 0 | 112.2 | C439 H455 Q456 R457 | C439-H459 PolarHBondContact SG-NE2 3.08Å; C439-H459 VanDerWaalsContact SG-NE2 3.41Å; H455-H459 AromaticContact CD2-NE2 3.81Å; H455-H459 AromaticContact CE1-CE1 3.85Å; H455-H459 AromaticContact CE1-NE2 3.32Å; H455-H459 PolarHBondContact CE1-NE2 2.83Å; H455-H459 VanDerWaalsContact CE1-NE2 3.32Å; H455-H459 AromaticContact NE2-CD2 3.9Å; H455-H459 AromaticContact NE2-CE1 3.84Å; H455-H459 AromaticContact NE2-NE2 2.99Å; H455-H459 PolarHBondContact NE2-NE2 3.08Å; Q456-H459 WeakPolarHBondContact O-CB 3.41Å; Q456-H459 PolarHBondContact O-N 3.36Å; Q456-H459 VanDerWaalsContact O-N 3.1Å; R457-H459 PolarHBondContact O-N 2.86Å |
| 460 | T | 74.3 | Confident | 68.8 | Low | 119 Ų | 119 | 104.2 Ų | 104.2 | 73% | 0.73 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -94.4 | -12 | -176.4 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | R457 | R457-T460 WeakPolarHBondContact CA-OG1 3.29Å; R457-T460 PolarHBondContact O-N 3.07Å; R457-T460 PolarHBondContact O-OG1 3.47Å |
| 461 | G | 56.5 | Low | 66.5 | Low | 44 Ų | 44 | 106.9 Ų | 106.9 | 45% | 0.454 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -99.4 | 121.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R457 G463 | R457-G461 PolarHBondContact O-N 3.35Å; R457-G461 VanDerWaalsContact O-N 3.14Å; G461-G463 PolarHBondContact O-N 2.91Å |
| 462 | A | 52.5 | Low | 63.9 | Low | 117 Ų | 117 | 108.7 Ų | 108.7 | 97% | 0.967 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -36.7 | 86.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 463 | G | 50.8 | Low | 61.4 | Low | 73 Ų | 73 | 113.8 Ų | 113.8 | 75% | 0.753 | 66% | 0.659 | S | S | * | * | trans | -171.8 | 28.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G461 | G461-G463 PolarHBondContact O-N 2.91Š| ||
| 464 | S | 45.7 | Very low | 58.8 | Low | 92 Ų | 92 | 112.1 Ų | 112.1 | 64% | 0.643 | 67% | 0.673 | S | S | * | * | trans | -147.2 | 73.1 | 171.3 | -156 | 0 | 0 | 0 | 0 | 111 | L466 | S464-L466 PolarHBondContact OG-O 3.13Š| ||
| 465 | L | 43.7 | Very low | 56.1 | Low | 174 Ų | 174 | 109.2 Ų | 109.2 | 91% | 0.911 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -81.8 | 5.8 | 153.6 | -158.4 | 110.2 | 0 | 0 | 0 | 111.4 | ||
| 466 | L | 48.8 | Very low | 53.9 | Low | 136 Ų | 136 | 114 Ų | 114 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -139.8 | 102.6 | 178.8 | -66.6 | 172.4 | 0 | 0 | 0 | 108.2 | S464 | S464-L466 PolarHBondContact OG-O 3.13Š|
| 467 | M | 46.5 | Very low | 51.4 | Low | 162 Ų | 162 | 115.1 Ų | 115.1 | 80% | 0.798 | 74% | 0.74 | S | S | * | * | trans | 164.7 | 60.3 | 131.7 | -78.8 | -44.9 | -173.6 | 0 | 0 | 108.9 | Q469 | M467-Q469 VanDerWaalsContact C-N 3.34Š| ||
| 468 | L | 44.4 | Very low | 49 | Very low | 176 Ų | 176 | 112 Ų | 112 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | trans | -88.3 | 85.7 | 145.5 | -74.8 | 172.8 | 0 | 0 | 0 | 106.6 | ||||
| 469 | Q | 37.6 | Very low | 46.8 | Very low | 163 Ų | 163 | 117.9 Ų | 117.9 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -124.4 | 121.5 | 147.8 | -71.2 | -161.8 | 26 | 0 | 0 | 107.9 | M467 V471 | M467-Q469 VanDerWaalsContact C-N 3.34Å; Q469-V471 PolarHBondContact O-N 2.89Å | ||
| 470 | P | 41.7 | Very low | 44.5 | Very low | 128 Ų | 128 | 121.9 Ų | 121.9 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | -68.6 | 116.7 | 171.7 | 26.4 | -28.8 | 0 | 0 | 0 | 108.6 | A472 | P470-A472 PolarHBondContact O-N 3.05Å; P470-A472 VanDerWaalsContact O-N 3.16Å | ||
| 471 | V | 42 | Very low | 43 | Very low | 142 Ų | 142 | 122.1 Ų | 122.1 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -68.7 | 110.1 | 165.9 | 173 | 0 | 0 | 0 | 0 | 107 | Q469 | Q469-V471 PolarHBondContact O-N 2.89Š| ||
| 472 | A | 35.7 | Very low | 42.3 | Very low | 79 Ų | 79 | 126.2 Ų | 126.2 | 65% | 0.653 | 84% | 0.837 | S | S | * | * | trans | -56.6 | 141.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | P470 G474 | P470-A472 PolarHBondContact O-N 3.05Å; P470-A472 VanDerWaalsContact O-N 3.16Å; A472-G474 PolarHBondContact O-N 3.22Å; A472-G474 VanDerWaalsContact O-N 3.17Å | ||
| 473 | P | 40.2 | Very low | 41.8 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | trans | -69.7 | 112.3 | 172 | 27.9 | -30.4 | 0 | 0 | 0 | 109 | G475 | P473-G475 PolarHBondContact O-N 2.7Å; P473-G475 VanDerWaalsContact O-N 3.17Å | ||
| 474 | G | 37.3 | Very low | 41.2 | Very low | 80 Ų | 80 | 129.8 Ų | 129.8 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 116.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110 | A472 | A472-G474 PolarHBondContact O-N 3.22Å; A472-G474 VanDerWaalsContact O-N 3.17Å |
| 475 | G | 33.5 | Very low | 40.9 | Very low | 65 Ų | 65 | 132.2 Ų | 132.2 | 67% | 0.67 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 171.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P473 | P473-G475 PolarHBondContact O-N 2.7Å; P473-G475 VanDerWaalsContact O-N 3.17Å |
| 476 | P | 46 | Very low | 40.8 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 83% | 0.831 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 141.2 | -164.6 | 31.2 | -33.7 | 0 | 0 | 0 | 112.2 | A478 | P476-A478 PolarHBondContact O-N 3.48Š|
| 477 | G | 38.5 | Very low | 40.2 | Very low | 86 Ų | 86 | 128.9 Ų | 128.9 | 89% | 0.887 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 121.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 478 | A | 39.2 | Very low | 39.7 | Very low | 88 Ų | 88 | 126.4 Ų | 126.4 | 73% | 0.727 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -104 | 118.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | P476 | P476-A478 PolarHBondContact O-N 3.48Š|
| 479 | K | 43.8 | Very low | 39.3 | Very low | 208 Ų | 208 | 122.3 Ų | 122.3 | 90% | 0.904 | 85% | 0.85 | S | S | * | * | trans | 39.2 | 143 | 137.6 | -55.4 | -175 | 177.8 | -176.8 | 0 | 118 | ||||
| 480 | A | 36.3 | Very low | 39.5 | Very low | 172 Ų | 172 | 118.5 Ų | 118.5 | 100% | 1.421 | 86% | 0.858 | S | S | * | * | cis | -162.2 | 0 | 35.3 | 0 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 480 of 480 residues in 79.1 ms
(Link to these results)