| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.6 | Very low | 31 | Very low | 215 Ų | 215 | 182.2 Ų | 182.2 | 100% | 1.059 | 86% | 0.858 | S | S | * | * | 0 | 105.2 | 0 | -83.4 | 177.5 | 161.1 | 0 | 0 | 109.7 | |||||
| 2 | T | 32.9 | Very low | 30.7 | Very low | 128 Ų | 128 | 180.7 Ų | 180.7 | 79% | 0.785 | 86% | 0.86 | S | S | * | * | trans | -178.6 | 86.2 | 150.3 | 35.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3 | R | 36.2 | Very low | 30.5 | Very low | 202 Ų | 202 | 180.4 Ų | 180.4 | 76% | 0.762 | 86% | 0.857 | S | S | * | * | trans | -98.8 | 103.6 | 162.2 | -102.9 | 179.6 | 153.6 | 175.6 | -5.1 | 107.6 | V5 | R3-V5 PolarHBondContact O-N 2.84Š| ||
| 4 | G | 31.1 | Very low | 30.4 | Very low | 78 Ų | 78 | 174.9 Ų | 174.9 | 80% | 0.804 | 85% | 0.846 | S | S | * | * | trans | -69 | 117.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | W6 | G4-W6 PolarHBondContact O-N 2.8Š| ||
| 5 | V | 32.9 | Very low | 30.5 | Very low | 127 Ų | 127 | 172.7 Ų | 172.7 | 77% | 0.77 | 84% | 0.839 | S | S | * | * | trans | -75.5 | 113.6 | -178.7 | 171.4 | 0 | 0 | 0 | 0 | 109.8 | R3 | R3-V5 PolarHBondContact O-N 2.84Š| ||
| 6 | W | 32.8 | Very low | 30.6 | Very low | 247 Ų | 247 | 173.8 Ų | 173.8 | 94% | 0.936 | 84% | 0.838 | S | S | * | * | trans | -143.8 | 103.5 | 153.8 | -78.6 | 92.3 | 0 | 0 | 0 | 109.1 | G4 | G4-W6 PolarHBondContact O-N 2.8Š| ||
| 7 | M | 26.9 | Very low | 30.5 | Very low | 183 Ų | 183 | 175.8 Ų | 175.8 | 90% | 0.901 | 84% | 0.837 | S | S | * | * | trans | -136.5 | 101.6 | 169.4 | -93.3 | -72.5 | -123.6 | 0 | 0 | 108 | ||||
| 8 | R | 26.8 | Very low | 30.3 | Very low | 237 Ų | 237 | 178.3 Ų | 178.3 | 89% | 0.894 | 84% | 0.837 | S | S | * | * | trans | -97.8 | 107.8 | 166.8 | -174.3 | 173.9 | -120.9 | -171.8 | 0.1 | 107.9 | Q10 | R8-Q10 PolarHBondContact O-N 3.14Š| ||
| 9 | R | 28.2 | Very low | 30.3 | Very low | 233 Ų | 233 | 175.3 Ų | 175.3 | 88% | 0.879 | 84% | 0.837 | S | S | * | * | trans | -60.4 | 127.9 | 173.2 | -77.5 | 176.7 | 173.6 | 164.6 | -1.7 | 110.7 | ||||
| 10 | Q | 28.9 | Very low | 30.2 | Very low | 185 Ų | 185 | 170.1 Ų | 170.1 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | -126.4 | 120.1 | 147.6 | -81.2 | -174.6 | -15.7 | 0 | 0 | 108.6 | R8 | R8-Q10 PolarHBondContact O-N 3.14Š| ||
| 11 | H | 27.1 | Very low | 30.3 | Very low | 169 Ų | 169 | 168.1 Ų | 168.1 | 78% | 0.782 | 83% | 0.825 | S | S | * | * | trans | -59.2 | 140.3 | 163.5 | -92.4 | 43.4 | 0 | 0 | 0 | 109.3 | ||||
| 12 | N | 27.5 | Very low | 30 | Very low | 164 Ų | 164 | 169.8 Ų | 169.8 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | -163.3 | 160.1 | 125.2 | -98.3 | -14.6 | 0 | 0 | 0 | 113.3 | |||||
| 13 | E | 28 | Very low | 29.9 | Very low | 177 Ų | 177 | 172.2 Ų | 172.2 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | trans | -76.2 | 154.3 | -153.3 | -62.9 | -170.5 | 144.5 | 0 | 0 | 117.2 | ||||
| 14 | C | 28.2 | Very low | 29.6 | Very low | 104 Ų | 104 | 169.8 Ų | 169.8 | 70% | 0.703 | 82% | 0.824 | S | S | * | * | 50.4 | 117.3 | 129.7 | -160.8 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 15 | L | 31.9 | Very low | 29.5 | Very low | 141 Ų | 141 | 175.6 Ų | 175.6 | 74% | 0.738 | 83% | 0.831 | S | S | * | * | -169.9 | 115.3 | 113.2 | -98.8 | 144.3 | 0 | 0 | 0 | 111.7 | Y17 | L15-Y17 HydrophobicContact CD2-CE2 3.83Š| |||
| 16 | K | 32.3 | Very low | 29.4 | Very low | 191 Ų | 191 | 179.1 Ų | 179.1 | 83% | 0.83 | 84% | 0.836 | S | S | * | * | trans | -70.5 | 133.9 | 165.7 | -80.5 | 170.9 | 171.7 | 172.6 | 0 | 109.4 | ||||
| 17 | Y | 29.4 | Very low | 30.3 | Very low | 208 Ų | 208 | 172 Ų | 172 | 82% | 0.816 | 82% | 0.821 | S | S | * | * | trans | -134.4 | 108.9 | 145 | -80.3 | -74.9 | 0 | 0 | 0 | 110.7 | L15 | L15-Y17 HydrophobicContact CD2-CE2 3.83Š| ||
| 18 | W | 26.6 | Very low | 30.5 | Very low | 221 Ų | 221 | 172.7 Ų | 172.7 | 84% | 0.837 | 82% | 0.819 | S | S | * | * | trans | -88.5 | 139.4 | 163 | -177.6 | -81.4 | 0 | 0 | 0 | 107.6 | ||||
| 19 | S | 31 | Very low | 30.8 | Very low | 120 Ų | 120 | 167 Ų | 167 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -138.5 | 112.3 | 163.7 | -71.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 20 | A | 28.2 | Very low | 31.9 | Very low | 71 Ų | 71 | 162.4 Ų | 162.4 | 59% | 0.587 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 154.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 21 | P | 30.8 | Very low | 32.5 | Very low | 129 Ų | 129 | 159 Ų | 159 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 149.5 | -176.9 | -2.4 | 22.2 | 0 | 0 | 0 | 111.9 | ||
| 22 | R | 31.3 | Very low | 33.5 | Very low | 251 Ų | 251 | 157.2 Ų | 157.2 | 95% | 0.947 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 124.3 | 166.1 | -80.2 | -166.8 | -178.9 | -168.6 | 1.5 | 110.9 | ||
| 23 | E | 31.2 | Very low | 34.5 | Very low | 178 Ų | 178 | 157.1 Ų | 157.1 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 138.8 | 159.8 | -75.3 | 174.4 | 128.7 | 0 | 0 | 110.5 | ||
| 24 | N | 29.7 | Very low | 35.5 | Very low | 151 Ų | 151 | 152.2 Ų | 152.2 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | 170 | 112.8 | 124.2 | -84.3 | -19.1 | 0 | 0 | 0 | 110.6 | |||||
| 25 | E | 29.6 | Very low | 36.3 | Very low | 201 Ų | 201 | 155 Ų | 155 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | 174.1 | 140.1 | 120.9 | -92.1 | 179 | -169.5 | 0 | 0 | 111 | |||||
| 26 | K | 31.8 | Very low | 37 | Very low | 201 Ų | 201 | 156.9 Ų | 156.9 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -136.5 | 169.8 | -178.1 | -124.5 | -168.6 | -178.9 | 173.9 | 0 | 106.3 | ||||
| 27 | P | 51.6 | Low | 37.5 | Very low | 96 Ų | 96 | 156 Ų | 156 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | cis | -130.6 | 141.5 | -46 | 27.7 | -9.2 | 0 | 0 | 0 | 111.6 | ||||
| 28 | F | 30.4 | Very low | 38.6 | Very low | 198 Ų | 198 | 155.9 Ų | 155.9 | 87% | 0.868 | 75% | 0.752 | S | S | * | * | trans | -145 | 114.4 | 158.6 | -92 | -78.7 | 0 | 0 | 0 | 112.4 | ||||
| 29 | T | 33.1 | Very low | 39.7 | Very low | 118 Ų | 118 | 153 Ų | 153 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | trans | 47.8 | 116.3 | 141.5 | 49.6 | 0 | 0 | 0 | 0 | 120.2 | P31 | T29-P31 VanDerWaalsContact O-CD 3.22Å; T29-P31 WeakPolarHBondContact O-CD 3.14Å | ||
| 30 | E | 50.7 | Low | 41 | Very low | 136 Ų | 136 | 150 Ų | 150 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | trans | -37.6 | 122.5 | 156.8 | -91.4 | 145.5 | 137.4 | 0 | 0 | 114 | R33 | E30-R33 HydrophobicContact CG-CB 4.22Å; E30-R33 IonicContact OE1-CZ 3.83Å; E30-R33 IonicContact OE1-NE 3.84Å; E30-R33 IonicContact OE1-NH1 3.59Å; E30-R33 PolarHBondContact OE1-NH1 2.95Å; E30-R33 IonicContact OE2-NH1 3.05Å | ||
| 31 | P | 42.7 | Very low | 42.3 | Very low | 113 Ų | 113 | 151.7 Ų | 151.7 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | S | Bend | -137.5 | 12.4 | 115.7 | 38.6 | -27.6 | 0 | 0 | 0 | 114.1 | T29 | T29-P31 VanDerWaalsContact O-CD 3.22Å; T29-P31 WeakPolarHBondContact O-CD 3.14Å | |
| 32 | E | 48.4 | Very low | 43.7 | Very low | 133 Ų | 133 | 148.5 Ų | 148.5 | 62% | 0.621 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -94.6 | -6.4 | -176.5 | -66.2 | -156.5 | 161.3 | 0 | 0 | 115.1 | A34 R36 | E32-A34 VanDerWaalsContact C-N 3.3Å; E32-A34 PolarHBondContact O-N 3.3Å; E32-R36 IonicContact OE2-NH2 3.96Å |
| 33 | R | 47.3 | Very low | 45.3 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 61% | 0.611 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -74.5 | -20.1 | -176.7 | -155 | 174.6 | -101.1 | 155 | -8.6 | 112.4 | E30 | E30-R33 HydrophobicContact CG-CB 4.22Å; E30-R33 IonicContact OE1-CZ 3.83Å; E30-R33 IonicContact OE1-NE 3.84Å; E30-R33 IonicContact OE1-NH1 3.59Å; E30-R33 PolarHBondContact OE1-NH1 2.95Å; E30-R33 IonicContact OE2-NH1 3.05Å |
| 34 | A | 48.5 | Very low | 46.7 | Very low | 73 Ų | 73 | 136 Ų | 136 | 60% | 0.603 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -88.4 | -10.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | E32 | E32-A34 VanDerWaalsContact C-N 3.3Å; E32-A34 PolarHBondContact O-N 3.3Å |
| 35 | Q | 46.3 | Very low | 48.3 | Very low | 162 Ų | 162 | 133.5 Ų | 133.5 | 76% | 0.757 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -93.6 | -27.6 | 175.1 | -88.1 | -156.3 | -36.3 | 0 | 0 | 114.2 | W37 R38 | Q35-W37 VanDerWaalsContact C-N 3.29Å; Q35-W37 PolarHBondContact O-N 3.49Å; Q35-R38 PolarHBondContact O-N 3.4Å |
| 36 | R | 46.3 | Very low | 50 | Low | 181 Ų | 181 | 129.8 Ų | 129.8 | 68% | 0.683 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.6 | -26.1 | 177.5 | -71 | -174.1 | 178.9 | 114.3 | 6.5 | 113.6 | E32 S40 | E32-R36 IonicContact OE2-NH2 3.96Å; R36-S40 PolarHBondContact O-N 3.06Å |
| 37 | W | 41.5 | Very low | 51.5 | Low | 173 Ų | 173 | 124.7 Ų | 124.7 | 66% | 0.655 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -73.9 | -25 | 176.6 | -67.5 | 102.3 | 0 | 0 | 0 | 113.8 | Q35 S40 L41 | Q35-W37 VanDerWaalsContact C-N 3.29Å; Q35-W37 PolarHBondContact O-N 3.49Å; W37-S40 PolarHBondContact O-N 2.92Å; W37-L41 WeakPolarHBondContact O-CB 3.47Å; W37-L41 PolarHBondContact O-N 3.17Å |
| 38 | R | 53.7 | Low | 52.2 | Low | 206 Ų | 206 | 123.1 Ų | 123.1 | 78% | 0.777 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -74.6 | -27.8 | -177.1 | -67.4 | -173.7 | 178.8 | -131.8 | 0.9 | 113 | Q35 | Q35-R38 PolarHBondContact O-N 3.4Å |
| 39 | Q | 49 | Very low | 53.9 | Low | 160 Ų | 160 | 118 Ų | 118 | 75% | 0.748 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -83.9 | -31.3 | 172.5 | -116.4 | 169.9 | -1.2 | 0 | 0 | 112.8 | S43 | Q39-S43 PolarHBondContact O-N 3.13Å; Q39-S43 PolarHBondContact O-OG 3.47Å |
| 40 | S | 58.4 | Low | 55.3 | Low | 57 Ų | 57 | 116.4 Ų | 116.4 | 40% | 0.399 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.7 | -40.2 | 176.1 | -176 | 0 | 0 | 0 | 0 | 111.9 | R36 W37 S43 L44 | R36-S40 PolarHBondContact O-N 3.06Å; W37-S40 PolarHBondContact O-N 2.92Å; S40-S43 PolarHBondContact O-N 3.07Å; S40-L44 VanDerWaalsContact O-CB 3.31Å; S40-L44 WeakPolarHBondContact O-CB 3.29Å; S40-L44 PolarHBondContact O-N 3.24Å |
| 41 | L | 56.2 | Low | 55.6 | Low | 107 Ų | 107 | 114.7 Ų | 114.7 | 56% | 0.56 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.6 | -37.3 | -179.1 | -154.4 | 153.2 | 0 | 0 | 0 | 112.2 | W37 L44 L45 | W37-L41 WeakPolarHBondContact O-CB 3.47Å; W37-L41 PolarHBondContact O-N 3.17Å; L41-L44 PolarHBondContact O-N 2.94Å; L41-L45 HydrophobicContact CD2-CD1 3.63Å; L41-L45 HydrophobicContact CD2-CG 3.96Å; L41-L45 WeakPolarHBondContact O-CB 3.42Å; L41-L45 VanDerWaalsContact O-CG 3.3Å; L41-L45 WeakPolarHBondContact O-CG 3.48Å; L41-L45 PolarHBondContact O-N 3.01Å |
| 42 | A | 59.9 | Low | 56.1 | Low | 61 Ų | 61 | 112.2 Ų | 112.2 | 50% | 0.504 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.6 | -39.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F46 | A42-F46 WeakPolarHBondContact O-CB 3.38Å; A42-F46 PolarHBondContact O-N 3.36Å |
| 43 | S | 64.3 | Low | 56.3 | Low | 66 Ų | 66 | 110.3 Ų | 110.3 | 46% | 0.462 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.6 | -37.9 | 175.3 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | Q39 S40 F46 I47 | Q39-S43 PolarHBondContact O-N 3.13Å; Q39-S43 PolarHBondContact O-OG 3.47Å; S40-S43 PolarHBondContact O-N 3.07Å; S43-F46 PolarHBondContact O-N 2.87Å; S43-I47 WeakPolarHBondContact O-CD1 3.3Å; S43-I47 VanDerWaalsContact O-CG1 3.25Å; S43-I47 WeakPolarHBondContact O-CG1 3.36Å; S43-I47 PolarHBondContact O-N 3.15Å |
| 44 | L | 61.1 | Low | 56.5 | Low | 102 Ų | 102 | 109.7 Ų | 109.7 | 53% | 0.534 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.2 | -41.8 | 177.5 | -156.5 | 132.2 | 0 | 0 | 0 | 111.1 | S40 L41 F46 I47 T48 | S40-L44 VanDerWaalsContact O-CB 3.31Å; S40-L44 WeakPolarHBondContact O-CB 3.29Å; S40-L44 PolarHBondContact O-N 3.24Å; L41-L44 PolarHBondContact O-N 2.94Å; L44-F46 VanDerWaalsContact C-N 3.33Å; L44-F46 PolarHBondContact O-N 2.57Å; L44-I47 PolarHBondContact O-N 3Å; L44-T48 HydrophobicContact CD2-CG2 4.22Å; L44-T48 VanDerWaalsContact O-CG2 3.31Å; L44-T48 WeakPolarHBondContact O-CG2 3.47Å; L44-T48 PolarHBondContact O-N 3.46Å; L44-T48 PolarHBondContact O-OG1 3.36Å |
| 45 | L | 64.3 | Low | 56.6 | Low | 98 Ų | 98 | 112.4 Ų | 112.4 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.8 | -42.3 | 172.7 | -73 | 175.1 | 0 | 0 | 0 | 111.6 | L41 T48 V49 | L41-L45 HydrophobicContact CD2-CD1 3.63Å; L41-L45 HydrophobicContact CD2-CG 3.96Å; L41-L45 WeakPolarHBondContact O-CB 3.42Å; L41-L45 VanDerWaalsContact O-CG 3.3Å; L41-L45 WeakPolarHBondContact O-CG 3.48Å; L41-L45 PolarHBondContact O-N 3.01Å; L45-T48 VanDerWaalsContact CA-OG1 3.3Å; L45-T48 WeakPolarHBondContact CA-OG1 3.48Å; L45-T48 PolarHBondContact O-N 3.24Å; L45-T48 PolarHBondContact O-OG1 3.11Å; L45-V49 WeakPolarHBondContact O-CG2 3.43Å; L45-V49 PolarHBondContact O-N 3.27Å |
| 46 | F | 64.4 | Low | 56.7 | Low | 122 Ų | 122 | 113 Ų | 113 | 54% | 0.535 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.3 | -43.7 | 176.2 | -168.3 | -102.5 | 0 | 0 | 0 | 112.5 | A42 S43 L44 V49 L50 | A42-F46 WeakPolarHBondContact O-CB 3.38Å; A42-F46 PolarHBondContact O-N 3.36Å; S43-F46 PolarHBondContact O-N 2.87Å; L44-F46 VanDerWaalsContact C-N 3.33Å; L44-F46 PolarHBondContact O-N 2.57Å; F46-V49 PolarHBondContact O-N 3.39Å; F46-L50 HydrophobicContact CD1-CD1 3.72Å; F46-L50 HydrophobicContact CE1-CD1 3.46Å; F46-L50 VanDerWaalsContact CE1-CD1 3.46Å; F46-L50 HydrophobicContact CE1-CG 4.38Å; F46-L50 HydrophobicContact CZ-CD1 4.15Å; F46-L50 WeakPolarHBondContact O-CG 3.33Å; F46-L50 PolarHBondContact O-N 3.24Å; F46-L50 VanDerWaalsContact O-N 3.11Å |
| 47 | I | 64.3 | Low | 56.6 | Low | 94 Ų | 94 | 111 Ų | 111 | 48% | 0.482 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67 | -40 | 176.2 | -67.8 | 164.3 | 0 | 0 | 0 | 111 | S43 L44 V49 L50 L51 | S43-I47 WeakPolarHBondContact O-CD1 3.3Å; S43-I47 VanDerWaalsContact O-CG1 3.25Å; S43-I47 WeakPolarHBondContact O-CG1 3.36Å; S43-I47 PolarHBondContact O-N 3.15Å; L44-I47 PolarHBondContact O-N 3Å; I47-V49 PolarHBondContact O-N 2.81Å; I47-L50 PolarHBondContact O-N 2.83Å; I47-L51 HydrophobicContact CG2-CD1 3.59Å; I47-L51 HydrophobicContact CG2-CG 4.18Å; I47-L51 WeakPolarHBondContact O-CB 3.21Å; I47-L51 VanDerWaalsContact O-CG 3.27Å; I47-L51 WeakPolarHBondContact O-CG 3.4Å; I47-L51 PolarHBondContact O-N 3.13Å |
| 48 | T | 65.3 | Low | 56.9 | Low | 64 Ų | 64 | 107.7 Ų | 107.7 | 39% | 0.393 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.1 | -39.4 | 178 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | L44 L45 L51 S52 | L44-T48 HydrophobicContact CD2-CG2 4.22Å; L44-T48 VanDerWaalsContact O-CG2 3.31Å; L44-T48 WeakPolarHBondContact O-CG2 3.47Å; L44-T48 PolarHBondContact O-N 3.46Å; L44-T48 PolarHBondContact O-OG1 3.36Å; L45-T48 VanDerWaalsContact CA-OG1 3.3Å; L45-T48 WeakPolarHBondContact CA-OG1 3.48Å; L45-T48 PolarHBondContact O-N 3.24Å; L45-T48 PolarHBondContact O-OG1 3.11Å; T48-L51 PolarHBondContact O-N 3.38Å; T48-S52 WeakPolarHBondContact O-CB 3.43Å; T48-S52 PolarHBondContact O-N 3.33Å; T48-S52 PolarHBondContact O-OG 3.06Å |
| 49 | V | 67 | Low | 56.6 | Low | 89 Ų | 89 | 101 Ų | 101 | 54% | 0.539 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 175.8 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L45 F46 I47 L51 S52 D53 | L45-V49 WeakPolarHBondContact O-CG2 3.43Å; L45-V49 PolarHBondContact O-N 3.27Å; F46-V49 PolarHBondContact O-N 3.39Å; I47-V49 PolarHBondContact O-N 2.81Å; V49-L51 PolarHBondContact O-N 3Å; V49-S52 WeakPolarHBondContact CA-OG 3.06Å; V49-S52 PolarHBondContact O-OG 3.13Å; V49-D53 PolarHBondContact O-N 3.13Å |
| 50 | L | 61.3 | Low | 56.3 | Low | 85 Ų | 85 | 98.5 Ų | 98.5 | 45% | 0.445 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 175.5 | -74.3 | 173.3 | 0 | 0 | 0 | 113.2 | F46 I47 | F46-L50 HydrophobicContact CD1-CD1 3.72Å; F46-L50 HydrophobicContact CE1-CD1 3.46Å; F46-L50 VanDerWaalsContact CE1-CD1 3.46Å; F46-L50 HydrophobicContact CE1-CG 4.38Å; F46-L50 HydrophobicContact CZ-CD1 4.15Å; F46-L50 WeakPolarHBondContact O-CG 3.33Å; F46-L50 PolarHBondContact O-N 3.24Å; F46-L50 VanDerWaalsContact O-N 3.11Å; I47-L50 PolarHBondContact O-N 2.83Å |
| 51 | L | 56.6 | Low | 55.6 | Low | 100 Ų | 100 | 99.5 Ų | 99.5 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -78.8 | -31.7 | 179.3 | -71.8 | 171.8 | 0 | 0 | 0 | 112.7 | I47 T48 V49 D53 H54 L55 | I47-L51 HydrophobicContact CG2-CD1 3.59Å; I47-L51 HydrophobicContact CG2-CG 4.18Å; I47-L51 WeakPolarHBondContact O-CB 3.21Å; I47-L51 VanDerWaalsContact O-CG 3.27Å; I47-L51 WeakPolarHBondContact O-CG 3.4Å; I47-L51 PolarHBondContact O-N 3.13Å; T48-L51 PolarHBondContact O-N 3.38Å; V49-L51 PolarHBondContact O-N 3Å; L51-D53 VanDerWaalsContact C-N 3.31Å; L51-D53 PolarHBondContact O-N 3.4Å; L51-H54 PolarHBondContact O-N 3.46Å; L51-L55 PolarHBondContact O-N 3.35Å; L51-L55 VanDerWaalsContact O-N 3.17Å |
| 52 | S | 54.7 | Low | 54.9 | Low | 62 Ų | 62 | 103.1 Ų | 103.1 | 43% | 0.434 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.1 | -33.7 | 175.2 | 43.5 | 0 | 0 | 0 | 0 | 112.8 | T48 V49 L55 W56 | T48-S52 WeakPolarHBondContact O-CB 3.43Å; T48-S52 PolarHBondContact O-N 3.33Å; T48-S52 PolarHBondContact O-OG 3.06Å; V49-S52 WeakPolarHBondContact CA-OG 3.06Å; V49-S52 PolarHBondContact O-OG 3.13Å; S52-L55 PolarHBondContact O-N 3.06Å; S52-W56 PolarHBondContact O-N 3.38Å |
| 53 | D | 52.6 | Low | 53.8 | Low | 92 Ų | 92 | 106.5 Ų | 106.5 | 49% | 0.492 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.7 | -35.4 | 174.5 | -79.1 | -13.2 | 0 | 0 | 0 | 111.9 | V49 L51 F57 | V49-D53 PolarHBondContact O-N 3.13Å; L51-D53 VanDerWaalsContact C-N 3.31Å; L51-D53 PolarHBondContact O-N 3.4Å; D53-F57 VanDerWaalsContact O-CD2 3.24Å; D53-F57 WeakPolarHBondContact O-CD2 3.05Å |
| 54 | H | 51.4 | Low | 52.7 | Low | 149 Ų | 149 | 108.5 Ų | 108.5 | 69% | 0.69 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.8 | -28.7 | 176.1 | -95.6 | -71.6 | 0 | 0 | 0 | 113.7 | L51 | L51-H54 PolarHBondContact O-N 3.46Å |
| 55 | L | 49.6 | Very low | 51.8 | Low | 131 Ų | 131 | 114.6 Ų | 114.6 | 69% | 0.686 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -78.3 | -31.2 | 177.3 | -76.7 | 158.8 | 0 | 0 | 0 | 112.3 | L51 S52 | L51-L55 PolarHBondContact O-N 3.35Å; L51-L55 VanDerWaalsContact O-N 3.17Å; S52-L55 PolarHBondContact O-N 3.06Å |
| 56 | W | 48.2 | Very low | 50.6 | Low | 173 Ų | 173 | 115.6 Ų | 115.6 | 66% | 0.655 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71 | -34.4 | 179.6 | -164.1 | -94.2 | 0 | 0 | 0 | 113 | S52 C58 A59 E60 | S52-W56 PolarHBondContact O-N 3.38Å; W56-C58 VanDerWaalsContact C-N 3.35Å; W56-C58 PolarHBondContact O-N 3.29Å; W56-A59 PolarHBondContact O-N 2.99Å; W56-E60 PolarHBondContact O-N 3.11Å |
| 57 | F | 44.5 | Very low | 49.3 | Very low | 141 Ų | 141 | 120.3 Ų | 120.3 | 62% | 0.618 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73.7 | -20.1 | 177.9 | -79.4 | -70.5 | 0 | 0 | 0 | 114.7 | D53 | D53-F57 VanDerWaalsContact O-CD2 3.24Å; D53-F57 WeakPolarHBondContact O-CD2 3.05Å |
| 58 | C | 47.2 | Very low | 47.9 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 69% | 0.689 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79.8 | -18.1 | 175.2 | -74.6 | 0 | 0 | 0 | 0 | 113.3 | W56 | W56-C58 VanDerWaalsContact C-N 3.35Å; W56-C58 PolarHBondContact O-N 3.29Å |
| 59 | A | 47.4 | Very low | 46.5 | Very low | 67 Ų | 67 | 130.2 Ų | 130.2 | 55% | 0.554 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -87.1 | -35.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | W56 K62 | W56-A59 PolarHBondContact O-N 2.99Å; A59-K62 PolarHBondContact O-N 3.3Å |
| 60 | E | 43.1 | Very low | 44.8 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 50% | 0.5 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -78.6 | -23.7 | -178.1 | -101.1 | -177.7 | 161.4 | 0 | 0 | 114.6 | W56 K62 L63 | W56-E60 PolarHBondContact O-N 3.11Å; E60-K62 PolarHBondContact O-N 3.44Å; E60-L63 PolarHBondContact O-N 3.18Å |
| 61 | A | 43.8 | Very low | 43.6 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 65% | 0.645 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -14 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 62 | K | 41.3 | Very low | 42.4 | Very low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.796 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -14 | 179.6 | -153 | 175.5 | -177.6 | 177.8 | 0 | 113.6 | A59 E60 | A59-K62 PolarHBondContact O-N 3.3Å; E60-K62 PolarHBondContact O-N 3.44Å |
| 63 | L | 36.5 | Very low | 41.2 | Very low | 132 Ų | 132 | 148.6 Ų | 148.6 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -19.7 | -177.3 | -152 | 95.1 | 0 | 0 | 0 | 113.9 | E60 T66 | E60-L63 PolarHBondContact O-N 3.18Å; L63-T66 PolarHBondContact O-OG1 2.05Å |
| 64 | T | 41.6 | Very low | 39.9 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -84.2 | -13.7 | -177.3 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | T66 | T64-T66 VanDerWaalsContact C-N 3.35Š|
| 65 | R | 42 | Very low | 38.7 | Very low | 231 Ų | 231 | 149.7 Ų | 149.7 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -81.6 | -8.9 | 177.1 | -166.4 | 169.4 | 169.8 | 148 | -0.9 | 114.2 | ||
| 66 | T | 40.2 | Very low | 37.6 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -103.8 | -1.1 | -177.9 | 42.6 | 0 | 0 | 0 | 0 | 114.9 | L63 T64 | L63-T66 PolarHBondContact O-OG1 2.05Å; T64-T66 VanDerWaalsContact C-N 3.35Å |
| 67 | R | 35.9 | Very low | 36.6 | Very low | 220 Ų | 220 | 147.6 Ų | 147.6 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -104.5 | -6.8 | -176.7 | -168.2 | 156 | 165.4 | 87.9 | -0.7 | 115.8 | ||
| 68 | D | 34.8 | Very low | 35.8 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -105.7 | 22.3 | -177.6 | -110.3 | -0.5 | 0 | 0 | 0 | 115.2 | ||
| 69 | K | 37 | Very low | 34.8 | Very low | 202 Ų | 202 | 148.3 Ų | 148.3 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -122.7 | 46.2 | 173.4 | -156.8 | -177.3 | -178.9 | -178.2 | 0 | 112.1 | ||
| 70 | R | 31.8 | Very low | 33.8 | Very low | 235 Ų | 235 | 149.5 Ų | 149.5 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -156.8 | 54.4 | 175.1 | -143.3 | 179.7 | -148.6 | -146.3 | 4.7 | 113.1 | ||
| 71 | S | 34.6 | Very low | 32.9 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -160.8 | 67.5 | 167.1 | -66.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 72 | D | 31.6 | Very low | 32.1 | Very low | 169 Ų | 169 | 152.3 Ų | 152.3 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | trans | -169.1 | 76.7 | 148.8 | -116.5 | -8.4 | 0 | 0 | 0 | 109.5 | ||||
| 73 | E | 29.1 | Very low | 31.3 | Very low | 200 Ų | 200 | 152.4 Ų | 152.4 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | trans | -141 | 120.6 | 162.2 | -95.2 | -173.8 | 158.2 | 0 | 0 | 108.4 | ||||
| 74 | G | 26.1 | Very low | 30.8 | Very low | 65 Ų | 65 | 155.7 Ų | 155.7 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | trans | 113.9 | 103.1 | 165 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 75 | H | 27.1 | Very low | 30.8 | Very low | 198 Ų | 198 | 154.9 Ų | 154.9 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | -174.2 | 122.7 | 93.2 | -89.8 | 77.8 | 0 | 0 | 0 | 109.7 | |||||
| 76 | A | 25.7 | Very low | 29.9 | Very low | 94 Ų | 94 | 151.4 Ų | 151.4 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | -113.5 | 131.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 77 | I | 28 | Very low | 29.3 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -147.9 | 134.9 | 147.7 | -59.2 | -171.4 | 0 | 0 | 0 | 109.3 | ||||
| 78 | S | 27 | Very low | 29.1 | Very low | 101 Ų | 101 | 146 Ų | 146 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | -63.3 | 158 | 176 | 48.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 79 | D | 25.8 | Very low | 28.7 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | -177.8 | 161.2 | 99.4 | -148.3 | 1.2 | 0 | 0 | 0 | 114.3 | |||||
| 80 | A | 27.4 | Very low | 28.1 | Very low | 92 Ų | 92 | 141.8 Ų | 141.8 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -32.9 | 162.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 81 | G | 24.6 | Very low | 28 | Very low | 67 Ų | 67 | 138.6 Ų | 138.6 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | cis | 151.8 | 141.6 | 8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 82 | E | 25.2 | Very low | 27.6 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | 173.8 | 123.9 | 144.1 | -97.9 | -167.6 | 138.1 | 0 | 0 | 116.2 | ||||
| 83 | K | 25.9 | Very low | 27.5 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 81% | 0.809 | 79% | 0.785 | S | S | * | * | trans | 32.5 | 115 | 141.5 | -67 | 168.6 | -176.7 | 161.2 | 0 | 124.7 | ||||
| 84 | K | 25.8 | Very low | 27.5 | Very low | 201 Ų | 201 | 135.6 Ų | 135.6 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | 4.2 | 173.4 | 133.4 | -109.1 | -172.1 | 166.5 | 179.5 | 0 | 121.9 | ||||
| 85 | P | 40.3 | Very low | 27.5 | Very low | 89 Ų | 89 | 142.2 Ų | 142.2 | 58% | 0.578 | 79% | 0.789 | S | S | * | * | cis | -138.8 | 170.8 | -11.4 | 29.6 | -6.6 | 0 | 0 | 0 | 116.2 | ||||
| 86 | N | 24.2 | Very low | 27.6 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | 171.3 | 133.7 | 119.3 | -82.8 | -17.6 | 0 | 0 | 0 | 113.2 | |||||
| 87 | S | 26.7 | Very low | 28 | Very low | 96 Ų | 96 | 139 Ų | 139 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | -99.6 | 163.6 | 169 | -166.5 | 0 | 0 | 0 | 0 | 108.7 | Q89 | S87-Q89 PolarHBondContact OG-N 2.88Š| ||
| 88 | P | 32.9 | Very low | 28 | Very low | 128 Ų | 128 | 137 Ų | 137 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | -137.9 | 156 | 84.5 | 21.2 | 0.8 | 0 | 0 | 0 | 114.9 | |||||
| 89 | Q | 25.9 | Very low | 28.3 | Very low | 178 Ų | 178 | 137.7 Ų | 137.7 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -57.4 | 143.1 | 170.6 | -70.5 | 162.9 | -52.2 | 0 | 0 | 112.8 | S87 | S87-Q89 PolarHBondContact OG-N 2.88Š| ||
| 90 | S | 24.6 | Very low | 28.5 | Very low | 102 Ų | 102 | 141 Ų | 141 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -144.6 | 128.9 | 150.5 | -171.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 91 | H | 28.8 | Very low | 28.6 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | trans | -66.1 | 128.3 | 176.8 | -70 | -95.4 | 0 | 0 | 0 | 110.7 | ||||
| 92 | H | 26.9 | Very low | 28.9 | Very low | 175 Ų | 175 | 152.6 Ų | 152.6 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -137.1 | 104.3 | 161.8 | -88.7 | -60.5 | 0 | 0 | 0 | 112.5 | ||||
| 93 | V | 29.2 | Very low | 29.2 | Very low | 125 Ų | 125 | 149 Ų | 149 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | trans | -11.7 | 130 | 146 | -175.9 | 0 | 0 | 0 | 0 | 114.8 | K95 | V93-K95 PolarHBondContact O-N 3.32Š| ||
| 94 | P | 30.4 | Very low | 29.4 | Very low | 123 Ų | 123 | 151.5 Ų | 151.5 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | -65.6 | 127.2 | 170.4 | -13.9 | 27.7 | 0 | 0 | 0 | 111 | ||||
| 95 | K | 26 | Very low | 29.9 | Very low | 205 Ų | 205 | 150 Ų | 150 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -61.5 | 133.3 | 171 | -83.8 | 175.7 | 174.1 | 174.3 | 0 | 111 | V93 | V93-K95 PolarHBondContact O-N 3.32Š| ||
| 96 | S | 29 | Very low | 29.9 | Very low | 105 Ų | 105 | 154.1 Ų | 154.1 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -42.8 | 137.8 | 165.7 | -167.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 97 | P | 32.9 | Very low | 30.3 | Very low | 119 Ų | 119 | 152.5 Ų | 152.5 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -75.8 | 145.3 | 151.4 | -2.4 | 21.2 | 0 | 0 | 0 | 109.7 | ||||
| 98 | D | 29.7 | Very low | 31 | Very low | 123 Ų | 123 | 151.5 Ų | 151.5 | 66% | 0.658 | 78% | 0.781 | S | S | * | * | trans | -59.6 | 136.8 | -176.5 | -157.8 | -20.1 | 0 | 0 | 0 | 113.2 | R100 | D98-R100 PolarHBondContact O-N 2.97Š| ||
| 99 | P | 32.9 | Very low | 31.7 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -74.5 | 9.3 | -175 | -13.4 | 29.8 | 0 | 0 | 0 | 115.6 | ||
| 100 | R | 29.9 | Very low | 32.2 | Very low | 228 Ų | 228 | 147.3 Ų | 147.3 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 24.2 | -169.1 | -60 | -142.5 | -154.6 | -167.1 | 8.5 | 116.2 | D98 | D98-R100 PolarHBondContact O-N 2.97Š|
| 101 | R | 28.6 | Very low | 33 | Very low | 243 Ų | 243 | 146.7 Ų | 146.7 | 92% | 0.917 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | 22.3 | 175.2 | -92.3 | -169.9 | -179.3 | -123.5 | 2.9 | 115 | ||
| 102 | L | 30.7 | Very low | 33.2 | Very low | 159 Ų | 159 | 142 Ų | 142 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | trans | -118.9 | 67.6 | 171.2 | -81.1 | 163.3 | 0 | 0 | 0 | 109.9 | ||||
| 103 | A | 31.3 | Very low | 33.7 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -166.4 | 56.1 | 169 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 104 | R | 31.3 | Very low | 34.4 | Very low | 239 Ų | 239 | 140.6 Ų | 140.6 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -155 | 48.4 | 156.1 | -149.9 | 176.6 | -171.7 | -177.8 | 1.6 | 111.2 | ||
| 105 | E | 35.2 | Very low | 35.2 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | trans | -135.7 | 68.1 | 177.8 | -161.3 | 166.3 | -150.4 | 0 | 0 | 107 | ||||
| 106 | Q | 40.1 | Very low | 36.6 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | -174.1 | 78.1 | 169.1 | -106 | 160.9 | 56.4 | 0 | 0 | 108.5 | ||||
| 107 | D | 34 | Very low | 38.1 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 66% | 0.663 | 69% | 0.686 | S | S | * | * | trans | -124 | 66.9 | 146.9 | -75.5 | -40.4 | 0 | 0 | 0 | 105.3 | ||||
| 108 | V | 39.9 | Very low | 39.7 | Very low | 76 Ų | 76 | 127.7 Ų | 127.7 | 46% | 0.461 | 66% | 0.657 | S | S | . | * | trans | -95.9 | 107 | 168.2 | -170.8 | 0 | 0 | 0 | 0 | 104.4 | F110 | V108-F110 VanDerWaalsContact C-N 3.35Å; V108-F110 HydrophobicContact CB-CD2 3.84Å; V108-F110 HydrophobicContact CB-CE2 3.89Å; V108-F110 HydrophobicContact CG1-CD2 3.6Å; V108-F110 HydrophobicContact CG1-CE2 3.5Å; V108-F110 HydrophobicContact CG1-CZ 4.48Å; V108-F110 PolarHBondContact O-N 3.31Å | ||
| 109 | I | 47.6 | Very low | 41.5 | Very low | 60 Ų | 60 | 127.8 Ų | 127.8 | 31% | 0.308 | 65% | 0.648 | S | S | . | * | trans | -66.9 | 99.4 | 175.1 | -60.3 | 171.3 | 0 | 0 | 0 | 106.6 | L118 A157 V159 | I109-L118 HydrophobicContact CD1-CD2 4.15Å; I109-A157 HydrophobicContact CB-CB 4.44Å; I109-A157 HydrophobicContact CD1-CB 3.77Å; I109-A157 HydrophobicContact CG1-CB 3.89Å; I109-A157 HydrophobicContact CG2-CB 3.7Å; I109-V159 HydrophobicContact CD1-CG2 4.34Å | ||
| 110 | F | 36.4 | Very low | 43.4 | Very low | 158 Ų | 158 | 128.3 Ų | 128.3 | 69% | 0.693 | 64% | 0.635 | S | S | * | * | trans | -93.6 | 108 | 177.1 | -98.8 | -89.9 | 0 | 0 | 0 | 108.5 | V108 | V108-F110 VanDerWaalsContact C-N 3.35Å; V108-F110 HydrophobicContact CB-CD2 3.84Å; V108-F110 HydrophobicContact CB-CE2 3.89Å; V108-F110 HydrophobicContact CG1-CD2 3.6Å; V108-F110 HydrophobicContact CG1-CE2 3.5Å; V108-F110 HydrophobicContact CG1-CZ 4.48Å; V108-F110 PolarHBondContact O-N 3.31Å | ||
| 111 | I | 41.9 | Very low | 45.2 | Very low | 89 Ų | 89 | 119 Ų | 119 | 46% | 0.456 | 60% | 0.602 | S | S | . | * | trans | -98.1 | 130.2 | 157.9 | -63.1 | 170.1 | 0 | 0 | 0 | 106.8 | T141 | I111-T141 HydrophobicContact CD1-CG2 3.9Š| ||
| 112 | G | 34.2 | Very low | 46.5 | Very low | 70 Ų | 70 | 115.5 Ų | 115.5 | 72% | 0.722 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -60.6 | 144.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 113 | N | 35.9 | Very low | 47.9 | Very low | 163 Ų | 163 | 113.2 Ų | 113.2 | 87% | 0.872 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 86.6 | 74.5 | 175.9 | -143.4 | 10 | 0 | 0 | 0 | 117.3 | ||
| 114 | S | 44.7 | Very low | 49.6 | Very low | 106 Ų | 106 | 110.4 Ų | 110.4 | 74% | 0.741 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 56.5 | 58.8 | 140.9 | -164.4 | 0 | 0 | 0 | 0 | 119.8 | ||
| 115 | T | 47.1 | Very low | 51.3 | Low | 126 Ų | 126 | 100.7 Ų | 100.7 | 77% | 0.773 | 53% | 0.533 | S | S | * | . | S | Bend | -170.9 | 131.2 | 128 | 21.7 | 0 | 0 | 0 | 0 | 105.9 | P117 | T115-P117 WeakPolarHBondContact O-CD 3.43Š| |
| 116 | K | 56.4 | Low | 52.4 | Low | 103 Ų | 103 | 98 Ų | 98 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | trans | -61.1 | 111.3 | -177.5 | -65.4 | 178.8 | -177.8 | 178.4 | 0 | 108.9 | L118 W119 | K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 2.91Å; K116-W119 HydrophobicContact CB-CH2 4.1Å; K116-W119 HydrophobicContact CB-CZ2 3.78Å; K116-W119 HydrophobicContact CD-CH2 3.77Å; K116-W119 HydrophobicContact CD-CZ2 4.33Å; K116-W119 HydrophobicContact CD-CZ3 3.87Å; K116-W119 HydrophobicContact CG-CH2 4.38Å; K116-W119 HydrophobicContact CG-CZ2 4.5Å; K116-W119 PolarHBondContact O-NE1 2.97Å; K116-W119 VanDerWaalsContact O-NE1 3.07Å | ||
| 117 | P | 59.3 | Low | 53.3 | Low | 21 Ų | 21 | 91.3 Ų | 91.3 | 14% | 0.136 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -77.6 | -21.5 | -170.7 | 29.3 | -31.8 | 0 | 0 | 0 | 112.2 | T115 F136 T137 T141 | T115-P117 WeakPolarHBondContact O-CD 3.43Å; P117-F136 WeakPolarHBondContact O-CA 3.36Å; P117-T137 PolarHBondContact O-N 3.22Å; P117-T141 HydrophobicContact CB-CG2 3.77Å; P117-T141 HydrophobicContact CG-CG2 3.78Å |
| 118 | L | 65.6 | Low | 54.6 | Low | 32 Ų | 32 | 86.4 Ų | 86.4 | 17% | 0.168 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 129.1 | -177.4 | -165 | 73.9 | 0 | 0 | 0 | 110.2 | I109 K116 F134 T135 F136 L164 | I109-L118 HydrophobicContact CD1-CD2 4.15Å; K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 2.91Å; L118-F134 HydrophobicContact CD1-CB 3.55Å; L118-F134 HydrophobicContact CD1-CG 4.28Å; L118-F134 HydrophobicContact CD2-CB 3.93Å; L118-F134 HydrophobicContact CD2-CD1 3.64Å; L118-F134 HydrophobicContact CD2-CD2 4.3Å; L118-F134 HydrophobicContact CD2-CE1 4.18Å; L118-F134 HydrophobicContact CD2-CG 3.72Å; L118-F134 HydrophobicContact CG-CB 3.68Å; L118-F134 HydrophobicContact CG-CD1 3.9Å; L118-F134 HydrophobicContact CG-CG 3.97Å; L118-T135 WeakPolarHBondContact CA-O 3.33Å; L118-T135 WeakPolarHBondContact CD1-O 3.38Å; L118-F136 HydrophobicContact CD1-CB 4.12Å; L118-L164 HydrophobicContact CD1-CD2 3.46Å; L118-L164 VanDerWaalsContact CD1-CD2 3.46Å |
| 119 | W | 69.6 | Low | 55.7 | Low | 124 Ų | 124 | 87.5 Ų | 87.5 | 47% | 0.47 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 117.3 | 179.2 | -63.7 | 93.8 | 0 | 0 | 0 | 109.8 | K116 M121 F134 T135 | K116-W119 HydrophobicContact CB-CH2 4.1Å; K116-W119 HydrophobicContact CB-CZ2 3.78Å; K116-W119 HydrophobicContact CD-CH2 3.77Å; K116-W119 HydrophobicContact CD-CZ2 4.33Å; K116-W119 HydrophobicContact CD-CZ3 3.87Å; K116-W119 HydrophobicContact CG-CH2 4.38Å; K116-W119 HydrophobicContact CG-CZ2 4.5Å; K116-W119 PolarHBondContact O-NE1 2.97Å; K116-W119 VanDerWaalsContact O-NE1 3.07Å; W119-M121 PolarHBondContact O-N 3.33Å; W119-F134 CarbonylContact O-C 3.58Å; W119-F134 WeakPolarHBondContact O-CA 3.34Å; W119-T135 PolarHBondContact N-O 3.22Å; W119-T135 PolarHBondContact O-N 3.3Å; W119-T135 PolarHBondContact O-OG1 3.36Å |
| 120 | R | 71 | Confident | 56.4 | Low | 127 Ų | 127 | 85.8 Ų | 85.8 | 48% | 0.479 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 129.3 | 169.7 | -178.6 | 176.2 | -75.1 | 170.9 | -4.3 | 108.6 | D132 F134 | R120-D132 IonicContact NH2-OD1 3.62Å; R120-F134 HydrophobicContact CB-CD1 3.95Å; R120-F134 HydrophobicContact CB-CE1 3.97Å; R120-F134 HydrophobicContact CG-CE1 4.34Å |
| 121 | M | 67.4 | Low | 57.8 | Low | 33 Ų | 33 | 89.3 Ų | 89.3 | 16% | 0.163 | 48% | 0.484 | C | S | . | . | trans | -73.5 | 140.4 | 175.7 | -70 | 161.1 | 67.2 | 0 | 0 | 110.2 | W119 T123 C133 T135 N170 | W119-M121 PolarHBondContact O-N 3.33Å; M121-T123 PolarHBondContact O-N 2.86Å; M121-C133 HydrophobicContact CB-CB 4.46Å; M121-C133 PolarHBondContact N-O 3.06Å; M121-C133 HydrophobicContact SD-CB 3.91Å; M121-T135 HydrophobicContact CG-CG2 3.62Å; M121-T135 HydrophobicContact SD-CG2 3.61Å; M121-N170 HydrophobicContact CE-CB 3.78Å | ||
| 122 | D | 55.9 | Low | 59.3 | Low | 169 Ų | 169 | 88.6 Ų | 88.6 | 90% | 0.904 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -63.4 | -29.1 | 178.3 | -67.2 | -38.2 | 0 | 0 | 0 | 112.4 | ||
| 123 | T | 60.8 | Low | 61.6 | Low | 111 Ų | 111 | 85.3 Ų | 85.3 | 68% | 0.681 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -142.8 | 113.7 | 176.2 | 51.4 | 0 | 0 | 0 | 0 | 110.5 | M121 | M121-T123 PolarHBondContact O-N 2.86Š|
| 124 | C | 67 | Low | 63.9 | Low | 42 Ų | 42 | 78.8 Ų | 78.8 | 28% | 0.284 | 41% | 0.411 | S | S | . | . | trans | -60 | 150.8 | 161.6 | -76.4 | 0 | 0 | 0 | 0 | 110.5 | C133 | C124-C133 VanDerWaalsContact CA-SG 3.56Å; C124-C133 HydrophobicContact CB-CB 4.09Å; C124-C133 WeakPolarHBondContact CB-SG 3.36Å; C124-C133 WeakPolarHBondContact SG-CB 3.15Å; C124-C133 PolarHBondContact SG-N 3.19Å; C124-C133 VanDerWaalsContact SG-N 3.36Å; C124-C133 CovalentContact SG-SG 2.03Å; C124-C133 PolarHBondContact SG-SG 2.83Å | ||
| 125 | H | 66.7 | Low | 65.9 | Low | 35 Ų | 35 | 75 Ų | 75 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | trans | -58.8 | 133.9 | 170.1 | -163.1 | -81.2 | 0 | 0 | 0 | 109.5 | D127 S128 V321 | H125-D127 PolarHBondContact ND1-N 2.93Å; H125-D127 PolarHBondContact O-N 2.66Å; H125-D127 VanDerWaalsContact O-N 3.08Å; H125-S128 WeakPolarHBondContact O-CB 3.36Å; H125-S128 PolarHBondContact O-N 3.23Å; H125-V321 WeakPolarHBondContact NE2-CB 3.48Å; H125-V321 WeakPolarHBondContact NE2-CG1 3.44Å | ||
| 126 | P | 59.3 | Low | 67.8 | Low | 115 Ų | 115 | 69.4 Ų | 69.4 | 75% | 0.747 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -30.1 | -173.6 | 18.4 | -32.4 | 0 | 0 | 0 | 114 | ||
| 127 | D | 58 | Low | 69.1 | Low | 34 Ų | 34 | 68.7 Ų | 68.7 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 4.1 | -179.5 | -75.6 | 1 | 0 | 0 | 0 | 114.3 | H125 V129 C264 S265 N266 | H125-D127 PolarHBondContact ND1-N 2.93Å; H125-D127 PolarHBondContact O-N 2.66Å; H125-D127 VanDerWaalsContact O-N 3.08Å; D127-V129 PolarHBondContact O-N 2.63Å; D127-C264 WeakPolarHBondContact O-CA 3.39Å; D127-S265 PolarHBondContact O-N 2.69Å; D127-N266 PolarHBondContact OD2-ND2 3.06Å |
| 128 | S | 62.9 | Low | 70.3 | Confident | 21 Ų | 21 | 70.3 Ų | 70.3 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -66.5 | 131.4 | 174.1 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | H125 S130 Y165 | H125-S128 WeakPolarHBondContact O-CB 3.36Å; H125-S128 PolarHBondContact O-N 3.23Å; S128-S130 PolarHBondContact O-N 3.43Å; S128-S130 PolarHBondContact OG-N 3.48Å; S128-Y165 PolarHBondContact OG-OH 2.9Å |
| 129 | V | 61.3 | Low | 71.2 | Confident | 99 Ų | 99 | 68.9 Ų | 68.9 | 60% | 0.6 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -72.3 | -17.3 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 111 | D127 H263 | D127-V129 PolarHBondContact O-N 2.63Å; V129-H263 VanDerWaalsContact CB-CE1 3.4Å; V129-H263 WeakPolarHBondContact CB-CE1 3.45Å |
| 130 | S | 63.8 | Low | 71.9 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 16% | 0.161 | 35% | 0.345 | C | S | . | . | trans | -94.5 | 143.3 | -179.3 | -171.5 | 0 | 0 | 0 | 0 | 111.2 | S128 D132 D163 H263 | S128-S130 PolarHBondContact O-N 3.43Å; S128-S130 PolarHBondContact OG-N 3.48Å; S130-D132 PolarHBondContact OG-O 3.22Å; S130-D163 WeakPolarHBondContact CB-OD1 2.95Å; S130-D163 VanDerWaalsContact OG-CG 3.31Å; S130-D163 PolarHBondContact OG-OD1 3.5Å; S130-H263 PolarHBondContact N-CE1 2.91Å | ||
| 131 | R | 64.6 | Low | 72.5 | Confident | 233 Ų | 233 | 61.3 Ų | 61.3 | 88% | 0.879 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -86.2 | -19.8 | -180 | -71.2 | -174.6 | 173.5 | -178.6 | -0.3 | 113 | ||
| 132 | D | 74.8 | Confident | 73.3 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | trans | -119.6 | 112.7 | -176.4 | -68.1 | -58.4 | 0 | 0 | 0 | 108.8 | R120 S130 F134 D163 | R120-D132 IonicContact NH2-OD1 3.62Å; S130-D132 PolarHBondContact OG-O 3.22Å; D132-F134 HydrophobicContact CB-CD2 4.46Å; D132-F134 HydrophobicContact CB-CE2 3.58Å; D132-F134 HydrophobicContact CB-CZ 3.95Å; D132-D163 WeakPolarHBondContact O-CB 3.44Å | ||
| 133 | C | 81.5 | Confident | 74.7 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | trans | -113.9 | 127.7 | 177.9 | -46.7 | 0 | 0 | 0 | 0 | 110.2 | M121 C124 Y165 | M121-C133 HydrophobicContact CB-CB 4.46Å; M121-C133 PolarHBondContact N-O 3.06Å; M121-C133 HydrophobicContact SD-CB 3.91Å; C124-C133 VanDerWaalsContact CA-SG 3.56Å; C124-C133 HydrophobicContact CB-CB 4.09Å; C124-C133 WeakPolarHBondContact CB-SG 3.36Å; C124-C133 WeakPolarHBondContact SG-CB 3.15Å; C124-C133 PolarHBondContact SG-N 3.19Å; C124-C133 VanDerWaalsContact SG-N 3.36Å; C124-C133 CovalentContact SG-SG 2.03Å; C124-C133 PolarHBondContact SG-SG 2.83Å; C133-Y165 HydrophobicContact CB-CD2 3.89Å; C133-Y165 HydrophobicContact CB-CE2 3.94Å | ||
| 134 | F | 84.9 | Confident | 75.7 | Confident | 25 Ų | 25 | 51 Ų | 51 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 143.2 | -178 | -55.8 | -84.8 | 0 | 0 | 0 | 111.2 | L118 W119 R120 D132 D163 L164 Y165 | L118-F134 HydrophobicContact CD1-CB 3.55Å; L118-F134 HydrophobicContact CD1-CG 4.28Å; L118-F134 HydrophobicContact CD2-CB 3.93Å; L118-F134 HydrophobicContact CD2-CD1 3.64Å; L118-F134 HydrophobicContact CD2-CD2 4.3Å; L118-F134 HydrophobicContact CD2-CE1 4.18Å; L118-F134 HydrophobicContact CD2-CG 3.72Å; L118-F134 HydrophobicContact CG-CB 3.68Å; L118-F134 HydrophobicContact CG-CD1 3.9Å; L118-F134 HydrophobicContact CG-CG 3.97Å; W119-F134 CarbonylContact O-C 3.58Å; W119-F134 WeakPolarHBondContact O-CA 3.34Å; R120-F134 HydrophobicContact CB-CD1 3.95Å; R120-F134 HydrophobicContact CB-CE1 3.97Å; R120-F134 HydrophobicContact CG-CE1 4.34Å; D132-F134 HydrophobicContact CB-CD2 4.46Å; D132-F134 HydrophobicContact CB-CE2 3.58Å; D132-F134 HydrophobicContact CB-CZ 3.95Å; F134-D163 HydrophobicContact CD2-CB 4.25Å; F134-D163 PolarHBondContact N-O 3.09Å; F134-L164 HydrophobicContact CB-CD2 4.23Å; F134-Y165 PolarHBondContact O-N 3.45Å |
| 135 | T | 85.9 | Confident | 76.2 | Confident | 26 Ų | 26 | 49.2 Ų | 49.2 | 16% | 0.16 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 154.9 | 166.3 | 55.1 | 0 | 0 | 0 | 0 | 109.3 | L118 W119 M121 | L118-T135 WeakPolarHBondContact CA-O 3.33Å; L118-T135 WeakPolarHBondContact CD1-O 3.38Å; W119-T135 PolarHBondContact N-O 3.22Å; W119-T135 PolarHBondContact O-N 3.3Å; W119-T135 PolarHBondContact O-OG1 3.36Å; M121-T135 HydrophobicContact CG-CG2 3.62Å; M121-T135 HydrophobicContact SD-CG2 3.61Å |
| 136 | F | 86.1 | Confident | 76.7 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 146.1 | -174.8 | 56.3 | -88.2 | 0 | 0 | 0 | 110.8 | P117 L118 V142 L164 Y165 L166 L174 V206 Q210 | P117-F136 WeakPolarHBondContact O-CA 3.36Å; L118-F136 HydrophobicContact CD1-CB 4.12Å; F136-V142 HydrophobicContact CB-CG2 3.46Å; F136-V142 VanDerWaalsContact CB-CG2 3.46Å; F136-V142 HydrophobicContact CD1-CG2 4.37Å; F136-V142 HydrophobicContact CD2-CG2 3.85Å; F136-V142 HydrophobicContact CG-CG2 3.62Å; F136-L164 HydrophobicContact CD1-CB 4.15Å; F136-L164 HydrophobicContact CD1-CD2 4.09Å; F136-L164 HydrophobicContact CE1-CB 4.16Å; F136-Y165 WeakPolarHBondContact CE1-O 2.94Å; F136-L166 HydrophobicContact CZ-CD2 4.19Å; F136-L174 HydrophobicContact CD1-CD1 4.36Å; F136-L174 HydrophobicContact CE1-CD1 3.67Å; F136-L174 HydrophobicContact CE1-CD2 4.07Å; F136-L174 HydrophobicContact CE1-CG 3.7Å; F136-L174 HydrophobicContact CE2-CD1 4.45Å; F136-L174 HydrophobicContact CZ-CD1 3.74Å; F136-L174 HydrophobicContact CZ-CD2 3.58Å; F136-L174 HydrophobicContact CZ-CG 3.74Å; F136-V206 HydrophobicContact CD2-CG1 4.06Å; F136-V206 HydrophobicContact CE2-CG1 3.36Å; F136-V206 HydrophobicContact CZ-CG1 4.13Å; F136-Q210 HydrophobicContact CE2-CG 4.1Å |
| 137 | T | 84.1 | Confident | 77.3 | Confident | 89 Ų | 89 | 44.7 Ų | 44.7 | 55% | 0.546 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -109 | -34.7 | 176.7 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | P117 Q210 | P117-T137 PolarHBondContact O-N 3.22Å; T137-Q210 PolarHBondContact O-NE2 3.49Å |
| 138 | D | 85.3 | Confident | 77.4 | Confident | 55 Ų | 55 | 45 Ų | 45 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | trans | -102 | 115.8 | -179.3 | -179.7 | 34.4 | 0 | 0 | 0 | 112.1 | L140 T141 V142 | D138-L140 PolarHBondContact OD1-N 3.21Å; D138-T141 VanDerWaalsContact OD2-CB 3.3Å; D138-T141 WeakPolarHBondContact OD2-CB 3.32Å; D138-T141 PolarHBondContact OD2-N 3.4Å; D138-T141 PolarHBondContact OD2-OG1 3.48Å; D138-V142 WeakPolarHBondContact O-CG2 3.49Å; D138-V142 PolarHBondContact O-N 3.11Å | ||
| 139 | A | 85.3 | Confident | 77 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | V142 C143 A203 V206 R207 | A139-V142 PolarHBondContact O-N 3.43Å; A139-C143 PolarHBondContact O-N 2.96Å; A139-C143 PolarHBondContact O-SG 3.41Å; A139-C143 VanDerWaalsContact O-SG 3.35Å; A139-A203 HydrophobicContact CB-CB 4.29Å; A139-V206 HydrophobicContact CB-CB 3.81Å; A139-V206 HydrophobicContact CB-CG1 3.64Å; A139-R207 HydrophobicContact CB-CG 3.75Å |
| 140 | L | 84 | Confident | 76.5 | Confident | 58 Ų | 58 | 55 Ų | 55 | 30% | 0.304 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.5 | -46.7 | -178 | -75.4 | 166.7 | 0 | 0 | 0 | 110.9 | D138 V142 C143 L144 A203 | D138-L140 PolarHBondContact OD1-N 3.21Å; L140-V142 VanDerWaalsContact C-N 3.28Å; L140-V142 PolarHBondContact O-N 3.09Å; L140-C143 PolarHBondContact O-N 3.32Å; L140-L144 WeakPolarHBondContact O-CB 3.38Å; L140-L144 VanDerWaalsContact O-CG 3.29Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.14Å; L140-A203 HydrophobicContact CD2-CB 3.6Å; L140-A203 HydrophobicContact CG-CB 4.12Å |
| 141 | T | 83.2 | Confident | 75.7 | Confident | 34 Ų | 34 | 61.3 Ų | 61.3 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 176.8 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | I111 P117 D138 G145 | I111-T141 HydrophobicContact CD1-CG2 3.9Å; P117-T141 HydrophobicContact CB-CG2 3.77Å; P117-T141 HydrophobicContact CG-CG2 3.78Å; D138-T141 VanDerWaalsContact OD2-CB 3.3Å; D138-T141 WeakPolarHBondContact OD2-CB 3.32Å; D138-T141 PolarHBondContact OD2-N 3.4Å; D138-T141 PolarHBondContact OD2-OG1 3.48Å; T141-G145 PolarHBondContact O-N 2.98Å |
| 142 | V | 83.8 | Confident | 74.7 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -51.2 | 175.7 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | F136 D138 A139 L140 L144 G145 L146 L164 L174 | F136-V142 HydrophobicContact CB-CG2 3.46Å; F136-V142 VanDerWaalsContact CB-CG2 3.46Å; F136-V142 HydrophobicContact CD1-CG2 4.37Å; F136-V142 HydrophobicContact CD2-CG2 3.85Å; F136-V142 HydrophobicContact CG-CG2 3.62Å; D138-V142 WeakPolarHBondContact O-CG2 3.49Å; D138-V142 PolarHBondContact O-N 3.11Å; A139-V142 PolarHBondContact O-N 3.43Å; L140-V142 VanDerWaalsContact C-N 3.28Å; L140-V142 PolarHBondContact O-N 3.09Å; V142-L144 VanDerWaalsContact C-N 3.32Å; V142-L144 PolarHBondContact O-N 2.93Å; V142-G145 PolarHBondContact O-N 2.87Å; V142-G145 VanDerWaalsContact O-N 3.13Å; V142-L146 HydrophobicContact CG1-CD1 4.15Å; V142-L146 WeakPolarHBondContact O-CG 3.41Å; V142-L146 PolarHBondContact O-N 3.31Å; V142-L146 VanDerWaalsContact O-N 3.13Å; V142-L164 HydrophobicContact CG1-CD1 3.6Å; V142-L174 HydrophobicContact CG1-CD1 3.81Å |
| 143 | C | 84.8 | Confident | 73.5 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.02 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.6 | -33.4 | -179 | -66.6 | 0 | 0 | 0 | 0 | 113 | A139 L140 L146 S147 L199 C202 A203 | A139-C143 PolarHBondContact O-N 2.96Å; A139-C143 PolarHBondContact O-SG 3.41Å; A139-C143 VanDerWaalsContact O-SG 3.35Å; L140-C143 PolarHBondContact O-N 3.32Å; C143-L146 PolarHBondContact O-N 3.1Å; C143-S147 PolarHBondContact O-N 3.39Å; C143-L199 HydrophobicContact CB-CD2 4Å; C143-L199 HydrophobicContact CB-CG 4.37Å; C143-C202 HydrophobicContact CB-CB 3.76Å; C143-C202 WeakPolarHBondContact CB-SG 2.98Å; C143-C202 WeakPolarHBondContact SG-CB 3.4Å; C143-C202 CovalentContact SG-SG 2.05Å; C143-C202 PolarHBondContact SG-SG 3.39Å; C143-A203 PolarHBondContact SG-N 3.36Å |
| 144 | L | 82.3 | Confident | 71.7 | Confident | 85 Ų | 85 | 65.6 Ų | 65.6 | 45% | 0.445 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 171.1 | -74.8 | 165.3 | 0 | 0 | 0 | 112 | L140 V142 L146 S147 L199 | L140-L144 WeakPolarHBondContact O-CB 3.38Å; L140-L144 VanDerWaalsContact O-CG 3.29Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.14Å; V142-L144 VanDerWaalsContact C-N 3.32Å; V142-L144 PolarHBondContact O-N 2.93Å; L144-L146 PolarHBondContact O-N 3.33Å; L144-S147 PolarHBondContact O-N 3.46Å; L144-S147 PolarHBondContact O-OG 2.94Å; L144-L199 HydrophobicContact CD2-CD1 3.61Å; L144-L199 HydrophobicContact CD2-CD2 3.84Å; L144-L199 HydrophobicContact CD2-CG 4.38Å; L144-L199 HydrophobicContact CG-CD1 4.31Å; L144-L199 HydrophobicContact CG-CD2 3.78Å |
| 145 | G | 77.3 | Confident | 69.7 | Low | 5 Ų | 5 | 74 Ų | 74 | 5% | 0.052 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.3 | -20.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T141 V142 V159 | T141-G145 PolarHBondContact O-N 2.98Å; V142-G145 PolarHBondContact O-N 2.87Å; V142-G145 VanDerWaalsContact O-N 3.13Å; G145-V159 PolarHBondContact O-N 3.41Å |
| 146 | L | 77.4 | Confident | 68 | Low | 22 Ų | 22 | 75.2 Ų | 75.2 | 12% | 0.115 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -87.5 | -33.3 | 176.4 | -65.7 | 175.5 | 0 | 0 | 0 | 113 | V142 C143 L144 G148 V159 L161 | V142-L146 HydrophobicContact CG1-CD1 4.15Å; V142-L146 WeakPolarHBondContact O-CG 3.41Å; V142-L146 PolarHBondContact O-N 3.31Å; V142-L146 VanDerWaalsContact O-N 3.13Å; C143-L146 PolarHBondContact O-N 3.1Å; L144-L146 PolarHBondContact O-N 3.33Å; L146-G148 VanDerWaalsContact C-N 3.27Å; L146-G148 PolarHBondContact O-N 3.23Å; L146-V159 WeakPolarHBondContact CD2-O 2.98Å; L146-L161 HydrophobicContact CD1-CD2 3.59Å; L146-L161 HydrophobicContact CD1-CG 3.95Å; L146-L161 HydrophobicContact CD2-CD1 4.44Å; L146-L161 HydrophobicContact CD2-CD2 4.26Å; L146-L161 HydrophobicContact CD2-CG 3.76Å |
| 147 | S | 71.6 | Confident | 66.5 | Low | 32 Ų | 32 | 76.6 Ų | 76.6 | 22% | 0.224 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -73.7 | -15.6 | -176.1 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | C143 L144 E149 | C143-S147 PolarHBondContact O-N 3.39Å; L144-S147 PolarHBondContact O-N 3.46Å; L144-S147 PolarHBondContact O-OG 2.94Å; S147-E149 PolarHBondContact O-N 2.95Å; S147-E149 VanDerWaalsContact O-N 3.11Å |
| 148 | G | 61.3 | Low | 65.6 | Low | 41 Ų | 41 | 80.4 Ų | 80.4 | 42% | 0.423 | 44% | 0.437 | S | S | . | . | trans | 61 | 23 | 170 | 0 | 0 | 0 | 0 | 0 | 114.9 | L146 E150 | L146-G148 VanDerWaalsContact C-N 3.27Å; L146-G148 PolarHBondContact O-N 3.23Å; G148-E150 PolarHBondContact O-N 3.33Å | ||
| 149 | E | 54.5 | Low | 65 | Low | 146 Ų | 146 | 78.7 Ų | 78.7 | 68% | 0.682 | 43% | 0.429 | S | S | * | . | trans | -67.8 | 100.5 | 173.1 | -84.7 | -178.5 | 130.8 | 0 | 0 | 109.1 | S147 E151 | S147-E149 PolarHBondContact O-N 2.95Å; S147-E149 VanDerWaalsContact O-N 3.11Å; E149-E151 VanDerWaalsContact C-N 3.26Å; E149-E151 PolarHBondContact O-N 2.9Å | ||
| 150 | E | 49.7 | Very low | 64.9 | Low | 185 Ų | 185 | 82 Ų | 82 | 86% | 0.864 | 45% | 0.447 | S | S | * | . | trans | -65.2 | 86 | 164.2 | -70.1 | -177.2 | 161.6 | 0 | 0 | 108.6 | G148 E152 | G148-E150 PolarHBondContact O-N 3.33Å; E150-E152 PolarHBondContact O-N 3.48Å | ||
| 151 | E | 46.9 | Very low | 64.8 | Low | 154 Ų | 154 | 80.2 Ų | 80.2 | 72% | 0.72 | 44% | 0.437 | S | S | * | . | trans | -67.8 | 117.9 | 156.4 | -87.9 | -166.5 | 155.3 | 0 | 0 | 107.9 | E149 G153 T154 | E149-E151 VanDerWaalsContact C-N 3.26Å; E149-E151 PolarHBondContact O-N 2.9Å; E151-G153 PolarHBondContact O-N 2.04Å; E151-T154 PolarHBondContact O-N 3.04Å; E151-T154 VanDerWaalsContact O-N 3.14Å | ||
| 152 | E | 44 | Very low | 64.8 | Low | 208 Ų | 208 | 79 Ų | 79 | 97% | 0.972 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.1 | 102 | 177.4 | -80 | -175.3 | 143 | 0 | 0 | 111.1 | E150 | E150-E152 PolarHBondContact O-N 3.48Š|
| 153 | G | 48.9 | Very low | 64.9 | Low | 85 Ų | 85 | 79.9 Ų | 79.9 | 88% | 0.876 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.8 | -12.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | E151 | E151-G153 PolarHBondContact O-N 2.04Š|
| 154 | T | 45.4 | Very low | 65 | Low | 105 Ų | 105 | 79.7 Ų | 79.7 | 64% | 0.644 | 43% | 0.433 | S | S | * | . | trans | -117.4 | 110.9 | 175 | -42.5 | 0 | 0 | 0 | 0 | 109.7 | E151 S156 | E151-T154 PolarHBondContact O-N 3.04Å; E151-T154 VanDerWaalsContact O-N 3.14Å; T154-S156 VanDerWaalsContact C-N 3.29Å; T154-S156 PolarHBondContact O-N 2.99Å | ||
| 155 | Q | 42.3 | Very low | 65.3 | Low | 202 Ų | 202 | 76.1 Ų | 76.1 | 94% | 0.944 | 41% | 0.414 | S | S | * | . | trans | -68.8 | 84.8 | -178.3 | -151 | 157.4 | 9.1 | 0 | 0 | 109.2 | A157 | Q155-A157 PolarHBondContact O-N 2.03Å; Q155-A157 VanDerWaalsContact O-N 3.17Å | ||
| 156 | S | 49.3 | Very low | 66 | Low | 52 Ų | 52 | 76 Ų | 76 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | trans | -66.6 | 112.4 | 176.3 | -169.8 | 0 | 0 | 0 | 0 | 108.1 | T154 Y158 | T154-S156 VanDerWaalsContact C-N 3.29Å; T154-S156 PolarHBondContact O-N 2.99Å; S156-Y158 PolarHBondContact O-N 2.98Å; S156-Y158 VanDerWaalsContact O-N 3.13Å | ||
| 157 | A | 55.8 | Low | 66.6 | Low | 37 Ų | 37 | 78.8 Ų | 78.8 | 31% | 0.306 | 43% | 0.433 | S | S | . | . | trans | -69 | 111.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | I109 Q155 V159 | I109-A157 HydrophobicContact CB-CB 4.44Å; I109-A157 HydrophobicContact CD1-CB 3.77Å; I109-A157 HydrophobicContact CG1-CB 3.89Å; I109-A157 HydrophobicContact CG2-CB 3.7Å; Q155-A157 PolarHBondContact O-N 2.03Å; Q155-A157 VanDerWaalsContact O-N 3.17Å; A157-V159 WeakPolarHBondContact O-CG2 3.43Å; A157-V159 PolarHBondContact O-N 2.56Å; A157-V159 VanDerWaalsContact O-N 3.13Å | ||
| 158 | Y | 64.4 | Low | 67.6 | Low | 169 Ų | 169 | 78.2 Ų | 78.2 | 66% | 0.663 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 116.2 | 172.6 | -178.8 | -97 | 0 | 0 | 0 | 109.5 | S156 | S156-Y158 PolarHBondContact O-N 2.98Å; S156-Y158 VanDerWaalsContact O-N 3.13Å |
| 159 | V | 73.7 | Confident | 69 | Low | 20 Ų | 20 | 76.2 Ų | 76.2 | 12% | 0.121 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -99.5 | 138 | 178.2 | -170.3 | 0 | 0 | 0 | 0 | 108.7 | I109 G145 L146 A157 L164 | I109-V159 HydrophobicContact CD1-CG2 4.34Å; G145-V159 PolarHBondContact O-N 3.41Å; L146-V159 WeakPolarHBondContact CD2-O 2.98Å; A157-V159 WeakPolarHBondContact O-CG2 3.43Å; A157-V159 PolarHBondContact O-N 2.56Å; A157-V159 VanDerWaalsContact O-N 3.13Å; V159-L164 HydrophobicContact CG1-CD1 3.68Å; V159-L164 HydrophobicContact CG1-CD2 3.75Å; V159-L164 HydrophobicContact CG1-CG 3.74Å |
| 160 | N | 82.3 | Confident | 70.6 | Confident | 71 Ų | 71 | 71.7 Ų | 71.7 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -92.7 | 134.3 | 178.1 | -162.9 | -12.8 | 0 | 0 | 0 | 110.9 | S162 D163 | N160-S162 PolarHBondContact ND2-OG 3.07Å; N160-S162 PolarHBondContact O-N 2.85Å; N160-S162 PolarHBondContact OD1-N 3.41Å; N160-S162 PolarHBondContact OD1-OG 3.33Å; N160-D163 HydrophobicContact CB-CB 4.45Å; N160-D163 PolarHBondContact O-N 3.19Å |
| 161 | L | 82.4 | Confident | 72.4 | Confident | 20 Ų | 20 | 63.6 Ų | 63.6 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -58.8 | -29.9 | 177.4 | -81.4 | 157.5 | 0 | 0 | 0 | 112.9 | L146 D163 L174 L175 F178 L191 | L146-L161 HydrophobicContact CD1-CD2 3.59Å; L146-L161 HydrophobicContact CD1-CG 3.95Å; L146-L161 HydrophobicContact CD2-CD1 4.44Å; L146-L161 HydrophobicContact CD2-CD2 4.26Å; L146-L161 HydrophobicContact CD2-CG 3.76Å; L161-D163 PolarHBondContact O-N 2.74Å; L161-L174 HydrophobicContact CD2-CB 3.67Å; L161-L174 HydrophobicContact CD2-CD1 4.34Å; L161-L175 HydrophobicContact CB-CB 4Å; L161-L175 HydrophobicContact CB-CD1 4.25Å; L161-L175 PolarHBondContact O-N 3.5Å; L161-F178 HydrophobicContact CD2-CD2 3.88Å; L161-F178 HydrophobicContact CD2-CE2 4.05Å; L161-L191 HydrophobicContact CD1-CD1 4.18Å |
| 162 | S | 83.5 | Confident | 74.3 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -68.1 | -23.3 | 177.4 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | N160 Y165 | N160-S162 PolarHBondContact ND2-OG 3.07Å; N160-S162 PolarHBondContact O-N 2.85Å; N160-S162 PolarHBondContact OD1-N 3.41Å; N160-S162 PolarHBondContact OD1-OG 3.33Å; S162-Y165 WeakPolarHBondContact O-CE2 3.46Å; S162-Y165 PolarHBondContact O-OH 3.19Å |
| 163 | D | 85.3 | Confident | 76.5 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -97.1 | -6.5 | -172.3 | -60.1 | -12.8 | 0 | 0 | 0 | 111.5 | S130 D132 F134 N160 L161 | S130-D163 WeakPolarHBondContact CB-OD1 2.95Å; S130-D163 VanDerWaalsContact OG-CG 3.31Å; S130-D163 PolarHBondContact OG-OD1 3.5Å; D132-D163 WeakPolarHBondContact O-CB 3.44Å; F134-D163 HydrophobicContact CD2-CB 4.25Å; F134-D163 PolarHBondContact N-O 3.09Å; N160-D163 HydrophobicContact CB-CB 4.45Å; N160-D163 PolarHBondContact O-N 3.19Å; L161-D163 PolarHBondContact O-N 2.74Å |
| 164 | L | 86.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 111.7 | -178.2 | -68 | 175.3 | 0 | 0 | 0 | 110.6 | L118 F134 F136 V142 V159 S173 L174 | L118-L164 HydrophobicContact CD1-CD2 3.46Å; L118-L164 VanDerWaalsContact CD1-CD2 3.46Å; F134-L164 HydrophobicContact CB-CD2 4.23Å; F136-L164 HydrophobicContact CD1-CB 4.15Å; F136-L164 HydrophobicContact CD1-CD2 4.09Å; F136-L164 HydrophobicContact CE1-CB 4.16Å; V142-L164 HydrophobicContact CG1-CD1 3.6Å; V159-L164 HydrophobicContact CG1-CD1 3.68Å; V159-L164 HydrophobicContact CG1-CD2 3.75Å; V159-L164 HydrophobicContact CG1-CG 3.74Å; L164-S173 CarbonylContact O-C 3.45Å; L164-S173 WeakPolarHBondContact O-CA 3.34Å; L164-L174 HydrophobicContact CB-CB 4.33Å; L164-L174 HydrophobicContact CB-CD1 3.82Å; L164-L174 HydrophobicContact CB-CG 4.06Å; L164-L174 HydrophobicContact CD1-CD1 3.81Å; L164-L174 HydrophobicContact CG-CD1 4.47Å; L164-L174 PolarHBondContact O-N 2.75Å |
| 165 | Y | 89.1 | Confident | 80.2 | Confident | 10 Ų | 10 | 39.1 Ų | 39.1 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 153.5 | -178.5 | -68.1 | -92.9 | 0 | 0 | 0 | 111.9 | S128 C133 F134 F136 S162 N170 Y172 | S128-Y165 PolarHBondContact OG-OH 2.9Å; C133-Y165 HydrophobicContact CB-CD2 3.89Å; C133-Y165 HydrophobicContact CB-CE2 3.94Å; F134-Y165 PolarHBondContact O-N 3.45Å; F136-Y165 WeakPolarHBondContact CE1-O 2.94Å; S162-Y165 WeakPolarHBondContact O-CE2 3.46Å; S162-Y165 PolarHBondContact O-OH 3.19Å; Y165-N170 WeakPolarHBondContact CD1-O 3.45Å; Y165-Y172 WeakPolarHBondContact CA-O 3.45Å; Y165-Y172 WeakPolarHBondContact CD1-O 3.43Å |
| 166 | L | 90.7 | Very high | 82.3 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | trans | -65 | 156.5 | 170.5 | -66.8 | -179.3 | 0 | 0 | 0 | 111.9 | F136 C169 Y172 L177 D213 F257 | F136-L166 HydrophobicContact CZ-CD2 4.19Å; L166-C169 HydrophobicContact CB-CB 4.43Å; L166-C169 HydrophobicContact CD1-CB 4.15Å; L166-Y172 PolarHBondContact N-O 3.33Å; L166-L177 HydrophobicContact CD1-CD1 3.88Å; L166-L177 HydrophobicContact CD2-CD1 4.11Å; L166-L177 HydrophobicContact CG-CD1 4.02Å; L166-D213 HydrophobicContact CD1-CB 4.23Å; L166-D213 HydrophobicContact CD2-CB 4.45Å; L166-F257 HydrophobicContact CD1-CD2 4.27Å; L166-F257 HydrophobicContact CD1-CE1 4.05Å; L166-F257 HydrophobicContact CD1-CE2 3.52Å; L166-F257 HydrophobicContact CD1-CZ 3.38Å | ||
| 167 | S | 90.4 | Very high | 84.2 | Confident | 80 Ų | 80 | 27.2 Ų | 27.2 | 56% | 0.559 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -73.5 | -46.8 | -173.9 | 66.2 | 0 | 0 | 0 | 0 | 112.6 | D213 | S167-D213 PolarHBondContact N-OD2 3.04Å; S167-D213 PolarHBondContact OG-OD2 3.22Å |
| 168 | F | 92.1 | Very high | 85.5 | Confident | 20 Ų | 20 | 25.7 Ų | 25.7 | 9% | 0.088 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -93.4 | -56 | 179 | 173.9 | -103.9 | 0 | 0 | 0 | 110.8 | N170 D213 A216 E217 Y220 K249 | F168-N170 PolarHBondContact O-N 3.01Å; F168-N170 PolarHBondContact O-OD1 2.81Å; F168-D213 WeakPolarHBondContact CB-OD1 3.38Å; F168-D213 PolarHBondContact N-OD1 2.99Å; F168-D213 PolarHBondContact N-OD2 3.22Å; F168-A216 HydrophobicContact CD1-CB 4.01Å; F168-A216 HydrophobicContact CE1-CB 4.02Å; F168-E217 HydrophobicContact CB-CB 4.02Å; F168-E217 HydrophobicContact CB-CG 4.4Å; F168-E217 HydrophobicContact CD1-CB 4.04Å; F168-E217 HydrophobicContact CD2-CB 3.89Å; F168-E217 HydrophobicContact CD2-CG 3.74Å; F168-E217 HydrophobicContact CE2-CB 4.4Å; F168-E217 HydrophobicContact CE2-CG 4.22Å; F168-E217 HydrophobicContact CG-CB 3.7Å; F168-E217 HydrophobicContact CG-CG 4.06Å; F168-Y220 AromaticContact CE2-CD1 3.89Å; F168-Y220 HydrophobicContact CE2-CD1 3.89Å; F168-Y220 AromaticContact CE2-CG 4Å; F168-Y220 HydrophobicContact CE2-CG 4Å; F168-Y220 VanDerWaalsContact CZ-CB 3.42Å; F168-Y220 AromaticContact CZ-CD1 3.93Å; F168-Y220 HydrophobicContact CZ-CD1 3.93Å; F168-Y220 HydrophobicContact CZ-CD2 4.07Å; F168-Y220 AromaticContact CZ-CG 3.53Å; F168-Y220 HydrophobicContact CZ-CG 3.53Å; F168-K249 HydrophobicContact CE1-CG 4.34Å; F168-K249 HydrophobicContact CE2-CD 4.23Å; F168-K249 HydrophobicContact CE2-CG 4.4Å; F168-K249 HydrophobicContact CZ-CD 4.17Å; F168-K249 HydrophobicContact CZ-CG 3.84Å; F168-K249 WeakPolarHBondContact O-CE 3.2Å; F168-K249 PolarHBondContact O-NZ 3.27Å |
| 169 | C | 91.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -79.3 | 60.4 | 176.8 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | L166 S171 Y172 D213 C253 F257 | L166-C169 HydrophobicContact CB-CB 4.43Å; L166-C169 HydrophobicContact CD1-CB 4.15Å; C169-S171 PolarHBondContact O-N 2.92Å; C169-Y172 HydrophobicContact CB-CD2 4.13Å; C169-Y172 PolarHBondContact O-N 2.62Å; C169-D213 WeakPolarHBondContact CB-OD1 3.32Å; C169-D213 PolarHBondContact N-OD1 2.91Å; C169-C253 WeakPolarHBondContact CA-SG 3.17Å; C169-C253 HydrophobicContact CB-CB 3.81Å; C169-C253 WeakPolarHBondContact CB-SG 2.98Å; C169-C253 WeakPolarHBondContact SG-CB 3.47Å; C169-C253 CovalentContact SG-SG 2.04Å; C169-C253 PolarHBondContact SG-SG 3.24Å; C169-F257 HydrophobicContact CB-CD2 4.33Å; C169-F257 HydrophobicContact CB-CE2 4.02Å |
| 170 | N | 88.3 | Confident | 86 | Confident | 50 Ų | 50 | 26.1 Ų | 26.1 | 27% | 0.267 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 4 | -173.8 | 68.4 | -39.5 | 0 | 0 | 0 | 116.3 | M121 Y165 F168 K249 | M121-N170 HydrophobicContact CE-CB 3.78Å; Y165-N170 WeakPolarHBondContact CD1-O 3.45Å; F168-N170 PolarHBondContact O-N 3.01Å; F168-N170 PolarHBondContact O-OD1 2.81Å; N170-K249 PolarHBondContact OD1-NZ 2.83Å; N170-K249 VanDerWaalsContact OD1-NZ 3.09Å |
| 171 | S | 85.9 | Confident | 85.2 | Confident | 15 Ų | 15 | 23.4 Ų | 23.4 | 11% | 0.105 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -15 | 168.4 | 57.4 | 0 | 0 | 0 | 0 | 113 | C169 Q261 | C169-S171 PolarHBondContact O-N 2.92Å; S171-Q261 PolarHBondContact O-OE1 3.47Å |
| 172 | Y | 88.3 | Confident | 84.2 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | trans | -103.1 | 124.6 | -177.2 | -69.8 | -95 | 0 | 0 | 0 | 110.6 | Y165 L166 C169 L177 C253 S254 F257 T259 Q261 | Y165-Y172 WeakPolarHBondContact CA-O 3.45Å; Y165-Y172 WeakPolarHBondContact CD1-O 3.43Å; L166-Y172 PolarHBondContact N-O 3.33Å; C169-Y172 HydrophobicContact CB-CD2 4.13Å; C169-Y172 PolarHBondContact O-N 2.62Å; Y172-L177 HydrophobicContact CD1-CD2 4.31Å; Y172-C253 HydrophobicContact CD2-CB 4.34Å; Y172-C253 HydrophobicContact CE2-CB 3.77Å; Y172-S254 WeakPolarHBondContact OH-CA 3.22Å; Y172-F257 HydrophobicContact CD1-CB 3.94Å; Y172-F257 HydrophobicContact CD2-CD2 4.44Å; Y172-F257 HydrophobicContact CE1-CB 3.62Å; Y172-F257 HydrophobicContact CE2-CB 4.44Å; Y172-F257 HydrophobicContact CG-CB 4.45Å; Y172-F257 PolarHBondContact OH-O 3.18Å; Y172-T259 HydrophobicContact CD1-CG2 4Å; Y172-T259 HydrophobicContact CE1-CG2 3.86Å; Y172-Q261 HydrophobicContact CD1-CG 4Å; Y172-Q261 HydrophobicContact CE1-CG 3.8Å; Y172-Q261 PolarHBondContact OH-NE2 3.05Å | ||
| 173 | S | 88.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -89.5 | 159.9 | 170.4 | 70.4 | 0 | 0 | 0 | 0 | 111.2 | L164 L175 D176 L177 | L164-S173 CarbonylContact O-C 3.45Å; L164-S173 WeakPolarHBondContact O-CA 3.34Å; S173-L175 PolarHBondContact O-N 3.08Å; S173-D176 WeakPolarHBondContact CB-OD2 3.48Å; S173-D176 PolarHBondContact N-OD2 3.44Å; S173-D176 PolarHBondContact O-N 3.33Å; S173-D176 PolarHBondContact OG-N 3.22Å; S173-D176 PolarHBondContact OG-OD2 2.89Å; S173-L177 WeakPolarHBondContact O-CG 3.48Å; S173-L177 PolarHBondContact O-N 3.24Å |
| 174 | L | 87.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.9 | -33.5 | 172.1 | -75.9 | -176.5 | 0 | 0 | 0 | 111.7 | F136 V142 L161 L164 D176 L177 F178 V206 Y209 | F136-L174 HydrophobicContact CD1-CD1 4.36Å; F136-L174 HydrophobicContact CE1-CD1 3.67Å; F136-L174 HydrophobicContact CE1-CD2 4.07Å; F136-L174 HydrophobicContact CE1-CG 3.7Å; F136-L174 HydrophobicContact CE2-CD1 4.45Å; F136-L174 HydrophobicContact CZ-CD1 3.74Å; F136-L174 HydrophobicContact CZ-CD2 3.58Å; F136-L174 HydrophobicContact CZ-CG 3.74Å; V142-L174 HydrophobicContact CG1-CD1 3.81Å; L161-L174 HydrophobicContact CD2-CB 3.67Å; L161-L174 HydrophobicContact CD2-CD1 4.34Å; L164-L174 HydrophobicContact CB-CB 4.33Å; L164-L174 HydrophobicContact CB-CD1 3.82Å; L164-L174 HydrophobicContact CB-CG 4.06Å; L164-L174 HydrophobicContact CD1-CD1 3.81Å; L164-L174 HydrophobicContact CG-CD1 4.47Å; L164-L174 PolarHBondContact O-N 2.75Å; L174-D176 PolarHBondContact O-N 3.23Å; L174-L177 HydrophobicContact CD2-CD1 4.26Å; L174-L177 PolarHBondContact O-N 3.45Å; L174-F178 HydrophobicContact CB-CD2 4.29Å; L174-F178 HydrophobicContact CB-CE2 4.35Å; L174-F178 HydrophobicContact CD2-CE2 4.37Å; L174-F178 WeakPolarHBondContact O-CD2 3.37Å; L174-F178 PolarHBondContact O-N 2.87Å; L174-V206 HydrophobicContact CD1-CG2 4.45Å; L174-V206 HydrophobicContact CD2-CG2 4.42Å; L174-Y209 HydrophobicContact CD2-CD2 4.19Å |
| 175 | L | 86.1 | Confident | 79.8 | Confident | 38 Ų | 38 | 38.7 Ų | 38.7 | 20% | 0.199 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.3 | -174.6 | 65.6 | 0 | 0 | 0 | 112 | L161 S173 L177 Y179 L191 I262 | L161-L175 HydrophobicContact CB-CB 4Å; L161-L175 HydrophobicContact CB-CD1 4.25Å; L161-L175 PolarHBondContact O-N 3.5Å; S173-L175 PolarHBondContact O-N 3.08Å; L175-L177 VanDerWaalsContact C-N 3.28Å; L175-L177 PolarHBondContact O-N 2.8Å; L175-Y179 VanDerWaalsContact O-CB 3.28Å; L175-Y179 WeakPolarHBondContact O-CB 3.5Å; L175-Y179 PolarHBondContact O-N 3.2Å; L175-Y179 VanDerWaalsContact O-N 3.09Å; L175-L191 HydrophobicContact CD1-CD1 4.37Å; L175-I262 HydrophobicContact CD2-CD1 3.9Å; L175-I262 HydrophobicContact CG-CD1 4.12Å |
| 176 | D | 87 | Confident | 78 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 178.2 | -57.2 | -56 | 0 | 0 | 0 | 110.7 | S173 L174 Y179 G180 T259 I262 | S173-D176 WeakPolarHBondContact CB-OD2 3.48Å; S173-D176 PolarHBondContact N-OD2 3.44Å; S173-D176 PolarHBondContact O-N 3.33Å; S173-D176 PolarHBondContact OG-N 3.22Å; S173-D176 PolarHBondContact OG-OD2 2.89Å; L174-D176 PolarHBondContact O-N 3.23Å; D176-Y179 PolarHBondContact O-N 2.93Å; D176-G180 PolarHBondContact O-N 3.45Å; D176-T259 HydrophobicContact CB-CG2 4.5Å; D176-T259 PolarHBondContact O-OG1 3.17Å; D176-I262 WeakPolarHBondContact OD1-CG1 3.41Å; D176-I262 PolarHBondContact OD1-N 3.25Å |
| 177 | L | 87.6 | Confident | 76.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.7 | -45.6 | -178 | -62.7 | 173.5 | 0 | 0 | 0 | 112.6 | L166 Y172 S173 L174 L175 Y179 F181 Y209 F257 T259 | L166-L177 HydrophobicContact CD1-CD1 3.88Å; L166-L177 HydrophobicContact CD2-CD1 4.11Å; L166-L177 HydrophobicContact CG-CD1 4.02Å; Y172-L177 HydrophobicContact CD1-CD2 4.31Å; S173-L177 WeakPolarHBondContact O-CG 3.48Å; S173-L177 PolarHBondContact O-N 3.24Å; L174-L177 HydrophobicContact CD2-CD1 4.26Å; L174-L177 PolarHBondContact O-N 3.45Å; L175-L177 VanDerWaalsContact C-N 3.28Å; L175-L177 PolarHBondContact O-N 2.8Å; L177-Y179 VanDerWaalsContact C-N 3.29Å; L177-Y179 PolarHBondContact O-N 2.04Å; L177-F181 HydrophobicContact CD2-CB 4.5Å; L177-F181 VanDerWaalsContact O-CB 3.27Å; L177-F181 WeakPolarHBondContact O-CB 3.39Å; L177-F181 PolarHBondContact O-N 3.25Å; L177-F181 VanDerWaalsContact O-N 3.07Å; L177-Y209 HydrophobicContact CB-CD2 4.12Å; L177-Y209 HydrophobicContact CB-CE1 4.3Å; L177-Y209 HydrophobicContact CB-CE2 3.78Å; L177-Y209 HydrophobicContact CD1-CD1 4.4Å; L177-Y209 HydrophobicContact CD1-CD2 3.93Å; L177-Y209 HydrophobicContact CD1-CE2 4.45Å; L177-Y209 HydrophobicContact CD1-CG 3.9Å; L177-Y209 PolarHBondContact O-OH 3.32Å; L177-F257 HydrophobicContact CD2-CB 4.17Å; L177-F257 HydrophobicContact CD2-CD1 3.39Å; L177-F257 HydrophobicContact CD2-CE1 3.94Å; L177-F257 HydrophobicContact CD2-CG 3.91Å; L177-T259 HydrophobicContact CD2-CG2 4.27Å |
| 178 | F | 84.6 | Confident | 75.8 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.022 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.2 | -22.9 | 178.5 | -78.4 | -67.4 | 0 | 0 | 0 | 113.4 | L161 L174 C189 L191 T194 C205 V206 Y209 | L161-F178 HydrophobicContact CD2-CD2 3.88Å; L161-F178 HydrophobicContact CD2-CE2 4.05Å; L174-F178 HydrophobicContact CB-CD2 4.29Å; L174-F178 HydrophobicContact CB-CE2 4.35Å; L174-F178 HydrophobicContact CD2-CE2 4.37Å; L174-F178 WeakPolarHBondContact O-CD2 3.37Å; L174-F178 PolarHBondContact O-N 2.87Å; F178-C189 HydrophobicContact CD1-CB 4.42Å; F178-C189 HydrophobicContact CE1-CB 4.4Å; F178-L191 HydrophobicContact CB-CD1 4.16Å; F178-L191 PolarHBondContact O-N 3.44Å; F178-T194 HydrophobicContact CD1-CG2 3.58Å; F178-T194 HydrophobicContact CD2-CG2 3.8Å; F178-T194 HydrophobicContact CE1-CG2 3.52Å; F178-T194 HydrophobicContact CE2-CG2 3.76Å; F178-T194 HydrophobicContact CG-CG2 3.73Å; F178-T194 HydrophobicContact CZ-CG2 3.61Å; F178-C205 HydrophobicContact CE1-CB 3.73Å; F178-C205 HydrophobicContact CZ-CB 4.08Å; F178-V206 HydrophobicContact CE2-CG2 4.17Å; F178-V206 HydrophobicContact CZ-CG2 3.91Å; F178-Y209 HydrophobicContact CD1-CE2 4.33Å; F178-Y209 HydrophobicContact CE1-CE2 4.12Å; F178-Y209 HydrophobicContact CE2-CE2 4.3Å; F178-Y209 HydrophobicContact CZ-CE2 4.1Å |
| 179 | Y | 79.3 | Confident | 75.1 | Confident | 161 Ų | 161 | 50.9 Ų | 50.9 | 63% | 0.631 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -83 | -29 | -178.3 | -167.5 | -97.6 | 0 | 0 | 0 | 113.5 | L175 D176 L177 | L175-Y179 VanDerWaalsContact O-CB 3.28Å; L175-Y179 WeakPolarHBondContact O-CB 3.5Å; L175-Y179 PolarHBondContact O-N 3.2Å; L175-Y179 VanDerWaalsContact O-N 3.09Å; D176-Y179 PolarHBondContact O-N 2.93Å; L177-Y179 VanDerWaalsContact C-N 3.29Å; L177-Y179 PolarHBondContact O-N 2.04Å |
| 180 | G | 67.8 | Low | 74.2 | Confident | 37 Ų | 37 | 53.8 Ų | 53.8 | 38% | 0.381 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -149.8 | 10.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | D176 T259 | D176-G180 PolarHBondContact O-N 3.45Å; G180-T259 VanDerWaalsContact CA-OG1 3.26Å; G180-T259 WeakPolarHBondContact CA-OG1 3.4Å; G180-T259 PolarHBondContact O-OG1 2.82Å; G180-T259 VanDerWaalsContact O-OG1 3.1Å |
| 181 | F | 66.6 | Low | 73.3 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 7% | 0.066 | 31% | 0.309 | C | S | . | . | trans | -107.2 | 110.8 | 177.5 | -173.2 | -95 | 0 | 0 | 0 | 111.8 | L177 Y209 L212 Y256 F257 | L177-F181 HydrophobicContact CD2-CB 4.5Å; L177-F181 VanDerWaalsContact O-CB 3.27Å; L177-F181 WeakPolarHBondContact O-CB 3.39Å; L177-F181 PolarHBondContact O-N 3.25Å; L177-F181 VanDerWaalsContact O-N 3.07Å; F181-Y209 HydrophobicContact CD1-CD1 4.3Å; F181-Y209 AromaticContact CD1-CE1 3.59Å; F181-Y209 HydrophobicContact CD1-CE1 3.59Å; F181-Y209 HydrophobicContact CE1-CD1 4.48Å; F181-Y209 HydrophobicContact CE1-CE1 4.11Å; F181-Y209 HydrophobicContact CG-CE1 4.47Å; F181-L212 HydrophobicContact CE1-CD1 3.78Å; F181-L212 HydrophobicContact CZ-CD1 3.76Å; F181-Y256 WeakPolarHBondContact CE2-O 3.43Å; F181-Y256 WeakPolarHBondContact CZ-O 3.42Å; F181-F257 HydrophobicContact CD2-CD1 4.43Å; F181-F257 HydrophobicContact CE2-CD1 4.29Å; F181-F257 HydrophobicContact CZ-CD1 4.42Å | ||
| 182 | T | 60.3 | Low | 72.2 | Confident | 120 Ų | 120 | 59.7 Ų | 59.7 | 74% | 0.736 | 34% | 0.338 | S | S | * | . | trans | -93.9 | 106.7 | 167.9 | 47 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 183 | S | 57.1 | Low | 71 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 15% | 0.154 | 35% | 0.347 | C | S | . | . | trans | -64.7 | 136.9 | 172.5 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | D185 | S183-D185 PolarHBondContact O-N 3.32Å; S183-D185 PolarHBondContact OG-N 3.21Å | ||
| 184 | P | 53.5 | Low | 69.6 | Low | 114 Ų | 114 | 61.6 Ų | 61.6 | 74% | 0.74 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -65.1 | -17.6 | 173.5 | 25.5 | -33.5 | 0 | 0 | 0 | 113.2 | V186 | P184-V186 VanDerWaalsContact C-N 3.3Å; P184-V186 PolarHBondContact O-N 2.95Å; P184-V186 VanDerWaalsContact O-N 3.12Å |
| 185 | D | 53.7 | Low | 68.3 | Low | 119 Ų | 119 | 68.8 Ų | 68.8 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -86.4 | 62.7 | 176.3 | -71.9 | -25.2 | 0 | 0 | 0 | 111.7 | S183 L187 | S183-D185 PolarHBondContact O-N 3.32Å; S183-D185 PolarHBondContact OG-N 3.21Å; D185-L187 PolarHBondContact O-N 3.5Å |
| 186 | V | 51.9 | Low | 66.8 | Low | 140 Ų | 140 | 69.4 Ų | 69.4 | 85% | 0.848 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 53.4 | 0.5 | 155.3 | -166.8 | 0 | 0 | 0 | 0 | 118.4 | P184 | P184-V186 VanDerWaalsContact C-N 3.3Å; P184-V186 PolarHBondContact O-N 2.95Å; P184-V186 VanDerWaalsContact O-N 3.12Å |
| 187 | L | 62.7 | Low | 65.6 | Low | 72 Ų | 72 | 76 Ų | 76 | 38% | 0.377 | 44% | 0.441 | S | S | . | . | trans | -97.1 | 109 | 176.7 | -68.6 | 166.2 | 0 | 0 | 0 | 108.8 | D185 C189 | D185-L187 PolarHBondContact O-N 3.5Å; L187-C189 PolarHBondContact O-N 3.34Å | ||
| 188 | N | 71.3 | Confident | 64.9 | Low | 145 Ų | 145 | 79.8 Ų | 79.8 | 78% | 0.775 | 46% | 0.461 | S | S | * | . | trans | -73.7 | 79 | 171.6 | -72.7 | -22.2 | 0 | 0 | 0 | 109.1 | S190 | N188-S190 VanDerWaalsContact C-N 3.34Å; N188-S190 PolarHBondContact O-N 3.27Å | ||
| 189 | C | 76.7 | Confident | 64.7 | Low | 12 Ų | 12 | 81.9 Ų | 81.9 | 8% | 0.081 | 47% | 0.472 | C | S | . | . | trans | -74.9 | 87.2 | 174.7 | -63.2 | 0 | 0 | 0 | 0 | 109.4 | F178 L187 C205 Y209 | F178-C189 HydrophobicContact CD1-CB 4.42Å; F178-C189 HydrophobicContact CE1-CB 4.4Å; L187-C189 PolarHBondContact O-N 3.34Å; C189-C205 WeakPolarHBondContact CA-SG 3.35Å; C189-C205 HydrophobicContact CB-CB 3.77Å; C189-C205 WeakPolarHBondContact CB-SG 3.4Å; C189-C205 VanDerWaalsContact SG-CA 3.55Å; C189-C205 WeakPolarHBondContact SG-CB 3.22Å; C189-C205 CovalentContact SG-SG 2.04Å; C189-C205 PolarHBondContact SG-SG 2.89Å; C189-Y209 VanDerWaalsContact CB-OH 3.22Å; C189-Y209 WeakPolarHBondContact CB-OH 3.4Å | ||
| 190 | S | 73.4 | Confident | 64.8 | Low | 61 Ų | 61 | 79.7 Ų | 79.7 | 43% | 0.427 | 47% | 0.471 | S | S | . | . | trans | -101.5 | 157 | 176.6 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | N188 D192 T193 | N188-S190 VanDerWaalsContact C-N 3.34Å; N188-S190 PolarHBondContact O-N 3.27Å; S190-D192 PolarHBondContact O-N 2.93Å; S190-D192 VanDerWaalsContact O-N 3.17Å; S190-T193 VanDerWaalsContact O-CB 3.22Å; S190-T193 WeakPolarHBondContact O-CB 3.42Å; S190-T193 PolarHBondContact O-N 3.17Å; S190-T193 PolarHBondContact O-OG1 3.13Å | ||
| 191 | L | 69.1 | Low | 65.5 | Low | 57 Ų | 57 | 78.3 Ų | 78.3 | 30% | 0.298 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -55.7 | -30 | 172.6 | -165.2 | 70.8 | 0 | 0 | 0 | 112.3 | L161 L175 F178 T193 T194 | L161-L191 HydrophobicContact CD1-CD1 4.18Å; L175-L191 HydrophobicContact CD1-CD1 4.37Å; F178-L191 HydrophobicContact CB-CD1 4.16Å; F178-L191 PolarHBondContact O-N 3.44Å; L191-T193 PolarHBondContact O-N 3.47Å; L191-T194 WeakPolarHBondContact O-CB 3.02Å; L191-T194 PolarHBondContact O-N 3.05Å; L191-T194 PolarHBondContact O-OG1 3.36Å |
| 192 | D | 63.7 | Low | 66.3 | Low | 131 Ų | 131 | 77.8 Ų | 77.8 | 70% | 0.701 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -61.8 | -29.1 | 176.4 | -159.5 | 27.4 | 0 | 0 | 0 | 112.3 | S190 T194 | S190-D192 PolarHBondContact O-N 2.93Å; S190-D192 VanDerWaalsContact O-N 3.17Å; D192-T194 PolarHBondContact O-N 3.41Å |
| 193 | T | 62.5 | Low | 67.6 | Low | 33 Ų | 33 | 72.1 Ų | 72.1 | 20% | 0.202 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -69.3 | -20.4 | 174.3 | -45.3 | 0 | 0 | 0 | 0 | 112.4 | S190 L191 | S190-T193 VanDerWaalsContact O-CB 3.22Å; S190-T193 WeakPolarHBondContact O-CB 3.42Å; S190-T193 PolarHBondContact O-N 3.17Å; S190-T193 PolarHBondContact O-OG1 3.13Å; L191-T193 PolarHBondContact O-N 3.47Å |
| 194 | T | 60.6 | Low | 69 | Low | 9 Ų | 9 | 75.9 Ų | 75.9 | 6% | 0.055 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -22.7 | -176.6 | 68.4 | 0 | 0 | 0 | 0 | 114.1 | F178 L191 D192 G196 | F178-T194 HydrophobicContact CD1-CG2 3.58Å; F178-T194 HydrophobicContact CD2-CG2 3.8Å; F178-T194 HydrophobicContact CE1-CG2 3.52Å; F178-T194 HydrophobicContact CE2-CG2 3.76Å; F178-T194 HydrophobicContact CG-CG2 3.73Å; F178-T194 HydrophobicContact CZ-CG2 3.61Å; L191-T194 WeakPolarHBondContact O-CB 3.02Å; L191-T194 PolarHBondContact O-N 3.05Å; L191-T194 PolarHBondContact O-OG1 3.36Å; D192-T194 PolarHBondContact O-N 3.41Å; T194-G196 PolarHBondContact O-N 2.96Å |
| 195 | M | 58.3 | Low | 70.6 | Confident | 150 Ų | 150 | 70.7 Ų | 70.7 | 74% | 0.739 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 27.4 | -169.4 | -63.7 | -152.2 | 79.3 | 0 | 0 | 115.3 | ||
| 196 | G | 56.4 | Low | 72.2 | Confident | 52 Ų | 52 | 65 Ų | 65 | 54% | 0.536 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 116.6 | 36.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | T194 | T194-G196 PolarHBondContact O-N 2.96Š|
| 197 | V | 59.9 | Low | 74 | Confident | 141 Ų | 141 | 63.1 Ų | 63.1 | 86% | 0.855 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.4 | -28.2 | 169.5 | -169.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 198 | D | 74.4 | Confident | 75.3 | Confident | 80 Ų | 80 | 60.6 Ų | 60.6 | 43% | 0.428 | 34% | 0.339 | S | S | . | . | trans | -139.3 | 86.9 | -176.7 | -170.7 | 7.3 | 0 | 0 | 0 | 113.1 | L200 G201 C202 | D198-L200 PolarHBondContact O-N 2.93Å; D198-L200 WeakPolarHBondContact OD1-CB 3.05Å; D198-L200 PolarHBondContact OD1-N 3.33Å; D198-G201 PolarHBondContact O-N 3.27Å; D198-G201 PolarHBondContact OD1-N 2.97Å; D198-G201 WeakPolarHBondContact OD2-CA 3.46Å; D198-G201 PolarHBondContact OD2-N 3.17Å; D198-C202 PolarHBondContact O-N 3.47Å | ||
| 199 | L | 79.8 | Confident | 76.1 | Confident | 48 Ų | 48 | 53.8 Ų | 53.8 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62 | -31.9 | 177.5 | -141.5 | 145.6 | 0 | 0 | 0 | 112 | C143 L144 A203 | C143-L199 HydrophobicContact CB-CD2 4Å; C143-L199 HydrophobicContact CB-CG 4.37Å; L144-L199 HydrophobicContact CD2-CD1 3.61Å; L144-L199 HydrophobicContact CD2-CD2 3.84Å; L144-L199 HydrophobicContact CD2-CG 4.38Å; L144-L199 HydrophobicContact CG-CD1 4.31Å; L144-L199 HydrophobicContact CG-CD2 3.78Å; L199-A203 WeakPolarHBondContact O-CB 3.18Å; L199-A203 PolarHBondContact O-N 2.89Å; L199-A203 VanDerWaalsContact O-N 3.11Å |
| 200 | L | 80.9 | Confident | 76.8 | Confident | 116 Ų | 116 | 54.9 Ų | 54.9 | 61% | 0.607 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -71.8 | -43.9 | 176.2 | -65.7 | 174.1 | 0 | 0 | 0 | 110.7 | D198 A203 E204 | D198-L200 PolarHBondContact O-N 2.93Å; D198-L200 WeakPolarHBondContact OD1-CB 3.05Å; D198-L200 PolarHBondContact OD1-N 3.33Å; L200-A203 PolarHBondContact O-N 3.01Å; L200-E204 WeakPolarHBondContact O-CG 3.22Å; L200-E204 PolarHBondContact O-N 3.23Å |
| 201 | G | 82.9 | Confident | 77.7 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 8% | 0.082 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D198 A203 E204 C205 | D198-G201 PolarHBondContact O-N 3.27Å; D198-G201 PolarHBondContact OD1-N 2.97Å; D198-G201 WeakPolarHBondContact OD2-CA 3.46Å; D198-G201 PolarHBondContact OD2-N 3.17Å; G201-A203 VanDerWaalsContact C-N 3.35Å; G201-A203 PolarHBondContact O-N 3.12Å; G201-E204 PolarHBondContact O-N 2.79Å; G201-C205 PolarHBondContact O-N 2.9Å; G201-C205 PolarHBondContact O-SG 3.17Å |
| 202 | C | 84.3 | Confident | 78.7 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.027 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.2 | -48.5 | 172.6 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | C143 D198 E204 C205 V206 | C143-C202 HydrophobicContact CB-CB 3.76Å; C143-C202 WeakPolarHBondContact CB-SG 2.98Å; C143-C202 WeakPolarHBondContact SG-CB 3.4Å; C143-C202 CovalentContact SG-SG 2.05Å; C143-C202 PolarHBondContact SG-SG 3.39Å; D198-C202 PolarHBondContact O-N 3.47Å; C202-E204 VanDerWaalsContact C-N 3.31Å; C202-E204 PolarHBondContact O-N 3.24Å; C202-C205 PolarHBondContact O-N 2.8Å; C202-V206 WeakPolarHBondContact O-CG2 3.24Å; C202-V206 PolarHBondContact O-N 3.08Å |
| 203 | A | 86.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -33.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | A139 L140 C143 L199 L200 G201 R207 | A139-A203 HydrophobicContact CB-CB 4.29Å; L140-A203 HydrophobicContact CD2-CB 3.6Å; L140-A203 HydrophobicContact CG-CB 4.12Å; C143-A203 PolarHBondContact SG-N 3.36Å; L199-A203 WeakPolarHBondContact O-CB 3.18Å; L199-A203 PolarHBondContact O-N 2.89Å; L199-A203 VanDerWaalsContact O-N 3.11Å; L200-A203 PolarHBondContact O-N 3.01Å; G201-A203 VanDerWaalsContact C-N 3.35Å; G201-A203 PolarHBondContact O-N 3.12Å; A203-R207 WeakPolarHBondContact O-CB 3.46Å; A203-R207 WeakPolarHBondContact O-CG 3.2Å; A203-R207 PolarHBondContact O-N 2.67Å |
| 204 | E | 86.8 | Confident | 81.7 | Confident | 101 Ų | 101 | 58.8 Ų | 58.8 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 172.9 | -76 | -175.4 | 177.7 | 0 | 0 | 112.1 | L200 G201 C202 R207 A208 | L200-E204 WeakPolarHBondContact O-CG 3.22Å; L200-E204 PolarHBondContact O-N 3.23Å; G201-E204 PolarHBondContact O-N 2.79Å; C202-E204 VanDerWaalsContact C-N 3.31Å; C202-E204 PolarHBondContact O-N 3.24Å; E204-R207 PolarHBondContact O-N 2.95Å; E204-A208 WeakPolarHBondContact O-CB 3.24Å; E204-A208 PolarHBondContact O-N 3.4Å |
| 205 | C | 86.8 | Confident | 83.3 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.034 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 175.1 | -73.9 | 0 | 0 | 0 | 0 | 112.2 | F178 C189 G201 C202 R207 A208 Y209 | F178-C205 HydrophobicContact CE1-CB 3.73Å; F178-C205 HydrophobicContact CZ-CB 4.08Å; C189-C205 WeakPolarHBondContact CA-SG 3.35Å; C189-C205 HydrophobicContact CB-CB 3.77Å; C189-C205 WeakPolarHBondContact CB-SG 3.4Å; C189-C205 VanDerWaalsContact SG-CA 3.55Å; C189-C205 WeakPolarHBondContact SG-CB 3.22Å; C189-C205 CovalentContact SG-SG 2.04Å; C189-C205 PolarHBondContact SG-SG 2.89Å; G201-C205 PolarHBondContact O-N 2.9Å; G201-C205 PolarHBondContact O-SG 3.17Å; C202-C205 PolarHBondContact O-N 2.8Å; C205-R207 VanDerWaalsContact C-N 3.32Å; C205-R207 PolarHBondContact O-N 3.46Å; C205-A208 WeakPolarHBondContact O-CB 3.22Å; C205-A208 PolarHBondContact O-N 2.85Å; C205-A208 VanDerWaalsContact O-N 3.1Å; C205-Y209 HydrophobicContact CB-CE2 4.42Å; C205-Y209 WeakPolarHBondContact O-CD2 3.41Å; C205-Y209 PolarHBondContact O-N 3.36Å |
| 206 | V | 88.3 | Confident | 85 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 177.6 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | F136 A139 L174 F178 C202 A208 Y209 Q210 | F136-V206 HydrophobicContact CD2-CG1 4.06Å; F136-V206 HydrophobicContact CE2-CG1 3.36Å; F136-V206 HydrophobicContact CZ-CG1 4.13Å; A139-V206 HydrophobicContact CB-CB 3.81Å; A139-V206 HydrophobicContact CB-CG1 3.64Å; L174-V206 HydrophobicContact CD1-CG2 4.45Å; L174-V206 HydrophobicContact CD2-CG2 4.42Å; F178-V206 HydrophobicContact CE2-CG2 4.17Å; F178-V206 HydrophobicContact CZ-CG2 3.91Å; C202-V206 WeakPolarHBondContact O-CG2 3.24Å; C202-V206 PolarHBondContact O-N 3.08Å; V206-A208 VanDerWaalsContact C-N 3.33Å; V206-A208 PolarHBondContact O-N 3.43Å; V206-Y209 PolarHBondContact O-N 3.2Å; V206-Q210 WeakPolarHBondContact O-CG 3.44Å; V206-Q210 PolarHBondContact O-N 3.45Å |
| 207 | R | 89.6 | Confident | 86.9 | Confident | 100 Ų | 100 | 55.9 Ų | 55.9 | 38% | 0.377 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.4 | -36.2 | 174.2 | -74.9 | 178.5 | -166.5 | 119.5 | -3.1 | 112.7 | A139 A203 E204 C205 Q210 R211 | A139-R207 HydrophobicContact CB-CG 3.75Å; A203-R207 WeakPolarHBondContact O-CB 3.46Å; A203-R207 WeakPolarHBondContact O-CG 3.2Å; A203-R207 PolarHBondContact O-N 2.67Å; E204-R207 PolarHBondContact O-N 2.95Å; C205-R207 VanDerWaalsContact C-N 3.32Å; C205-R207 PolarHBondContact O-N 3.46Å; R207-Q210 PolarHBondContact O-N 3.25Å; R207-R211 PolarHBondContact O-N 2.83Å |
| 208 | A | 88.8 | Confident | 88.6 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 17% | 0.165 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | E204 C205 V206 Q210 R211 L212 | E204-A208 WeakPolarHBondContact O-CB 3.24Å; E204-A208 PolarHBondContact O-N 3.4Å; C205-A208 WeakPolarHBondContact O-CB 3.22Å; C205-A208 PolarHBondContact O-N 2.85Å; C205-A208 VanDerWaalsContact O-N 3.1Å; V206-A208 VanDerWaalsContact C-N 3.33Å; V206-A208 PolarHBondContact O-N 3.43Å; A208-Q210 PolarHBondContact O-N 3.24Å; A208-R211 WeakPolarHBondContact O-CB 3.14Å; A208-R211 PolarHBondContact O-N 3.13Å; A208-R211 VanDerWaalsContact O-N 3.14Å; A208-L212 PolarHBondContact O-N 3.17Å; A208-L212 VanDerWaalsContact O-N 3.09Å |
| 209 | Y | 89.5 | Confident | 89.6 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 174.5 | -58.9 | -35.5 | 0 | 0 | 0 | 112.5 | L174 L177 F178 F181 C189 C205 V206 R211 L212 D213 F257 | L174-Y209 HydrophobicContact CD2-CD2 4.19Å; L177-Y209 HydrophobicContact CB-CD2 4.12Å; L177-Y209 HydrophobicContact CB-CE1 4.3Å; L177-Y209 HydrophobicContact CB-CE2 3.78Å; L177-Y209 HydrophobicContact CD1-CD1 4.4Å; L177-Y209 HydrophobicContact CD1-CD2 3.93Å; L177-Y209 HydrophobicContact CD1-CE2 4.45Å; L177-Y209 HydrophobicContact CD1-CG 3.9Å; L177-Y209 PolarHBondContact O-OH 3.32Å; F178-Y209 HydrophobicContact CD1-CE2 4.33Å; F178-Y209 HydrophobicContact CE1-CE2 4.12Å; F178-Y209 HydrophobicContact CE2-CE2 4.3Å; F178-Y209 HydrophobicContact CZ-CE2 4.1Å; F181-Y209 HydrophobicContact CD1-CD1 4.3Å; F181-Y209 AromaticContact CD1-CE1 3.59Å; F181-Y209 HydrophobicContact CD1-CE1 3.59Å; F181-Y209 HydrophobicContact CE1-CD1 4.48Å; F181-Y209 HydrophobicContact CE1-CE1 4.11Å; F181-Y209 HydrophobicContact CG-CE1 4.47Å; C189-Y209 VanDerWaalsContact CB-OH 3.22Å; C189-Y209 WeakPolarHBondContact CB-OH 3.4Å; C205-Y209 HydrophobicContact CB-CE2 4.42Å; C205-Y209 WeakPolarHBondContact O-CD2 3.41Å; C205-Y209 PolarHBondContact O-N 3.36Å; V206-Y209 PolarHBondContact O-N 3.2Å; Y209-R211 PolarHBondContact O-N 3.03Å; Y209-L212 PolarHBondContact O-N 3.38Å; Y209-D213 WeakPolarHBondContact O-CB 3.46Å; Y209-D213 PolarHBondContact O-N 3.36Å; Y209-F257 HydrophobicContact CD1-CE1 4.46Å |
| 210 | Q | 91.2 | Very high | 90.4 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -31.9 | 174.6 | -72.6 | 176.7 | -28.9 | 0 | 0 | 113 | F136 T137 V206 R207 A208 R214 | F136-Q210 HydrophobicContact CE2-CG 4.1Å; T137-Q210 PolarHBondContact O-NE2 3.49Å; V206-Q210 WeakPolarHBondContact O-CG 3.44Å; V206-Q210 PolarHBondContact O-N 3.45Å; R207-Q210 PolarHBondContact O-N 3.25Å; A208-Q210 PolarHBondContact O-N 3.24Å; Q210-R214 WeakPolarHBondContact O-CB 3.47Å; Q210-R214 PolarHBondContact O-N 3.42Å; Q210-R214 VanDerWaalsContact O-N 3.11Å |
| 211 | R | 91.6 | Very high | 91.1 | Very high | 177 Ų | 177 | 53 Ų | 53 | 67% | 0.668 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -69 | -44.4 | 175.3 | -171.3 | -175.8 | -64.8 | 163.5 | 1.2 | 111.1 | R207 A208 Y209 R214 Q215 | R207-R211 PolarHBondContact O-N 2.83Å; A208-R211 WeakPolarHBondContact O-CB 3.14Å; A208-R211 PolarHBondContact O-N 3.13Å; A208-R211 VanDerWaalsContact O-N 3.14Å; Y209-R211 PolarHBondContact O-N 3.03Å; R211-R214 PolarHBondContact O-N 2.96Å; R211-Q215 PolarHBondContact O-N 3.48Å |
| 212 | L | 91.2 | Very high | 91.7 | Very high | 35 Ų | 35 | 57.7 Ų | 57.7 | 18% | 0.183 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 175.4 | -67.8 | 172.7 | 0 | 0 | 0 | 111.6 | F181 A208 Y209 R214 Q215 A216 Y256 F257 | F181-L212 HydrophobicContact CE1-CD1 3.78Å; F181-L212 HydrophobicContact CZ-CD1 3.76Å; A208-L212 PolarHBondContact O-N 3.17Å; A208-L212 VanDerWaalsContact O-N 3.09Å; Y209-L212 PolarHBondContact O-N 3.38Å; L212-R214 VanDerWaalsContact C-N 3.32Å; L212-R214 PolarHBondContact O-N 3.47Å; L212-Q215 PolarHBondContact O-N 3.34Å; L212-A216 PolarHBondContact O-N 3.09Å; L212-Y256 HydrophobicContact CB-CD1 4.37Å; L212-Y256 HydrophobicContact CD2-CD1 4.19Å; L212-F257 HydrophobicContact CB-CE1 3.91Å; L212-F257 HydrophobicContact CB-CZ 3.76Å; L212-F257 HydrophobicContact CD1-CE1 4.05Å |
| 213 | D | 93.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.011 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 176.8 | -166.8 | 45 | 0 | 0 | 0 | 111.6 | L166 S167 F168 C169 Y209 A216 E217 F257 | L166-D213 HydrophobicContact CD1-CB 4.23Å; L166-D213 HydrophobicContact CD2-CB 4.45Å; S167-D213 PolarHBondContact N-OD2 3.04Å; S167-D213 PolarHBondContact OG-OD2 3.22Å; F168-D213 WeakPolarHBondContact CB-OD1 3.38Å; F168-D213 PolarHBondContact N-OD1 2.99Å; F168-D213 PolarHBondContact N-OD2 3.22Å; C169-D213 WeakPolarHBondContact CB-OD1 3.32Å; C169-D213 PolarHBondContact N-OD1 2.91Å; Y209-D213 WeakPolarHBondContact O-CB 3.46Å; Y209-D213 PolarHBondContact O-N 3.36Å; D213-A216 PolarHBondContact O-N 3.27Å; D213-E217 PolarHBondContact O-N 3.26Å; D213-F257 HydrophobicContact CB-CZ 4.45Å |
| 214 | R | 93.9 | Very high | 92.5 | Very high | 150 Ų | 150 | 62 Ų | 62 | 57% | 0.566 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65.8 | -40.5 | 176.2 | -169.7 | -172.8 | -43.8 | -127.1 | -5.2 | 112.6 | Q210 R211 L212 A216 E217 E218 | Q210-R214 WeakPolarHBondContact O-CB 3.47Å; Q210-R214 PolarHBondContact O-N 3.42Å; Q210-R214 VanDerWaalsContact O-N 3.11Å; R211-R214 PolarHBondContact O-N 2.96Å; L212-R214 VanDerWaalsContact C-N 3.32Å; L212-R214 PolarHBondContact O-N 3.47Å; R214-A216 VanDerWaalsContact C-N 3.31Å; R214-A216 PolarHBondContact O-N 3.39Å; R214-E217 WeakPolarHBondContact O-CB 3.28Å; R214-E217 PolarHBondContact O-N 3.4Å; R214-E218 WeakPolarHBondContact O-CG 3.4Å; R214-E218 PolarHBondContact O-N 3.34Å |
| 215 | Q | 94.5 | Very high | 92.9 | Very high | 93 Ų | 93 | 61.6 Ų | 61.6 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 177.6 | -163.1 | -175.3 | 0.1 | 0 | 0 | 111.2 | R211 L212 E218 N219 Y256 | R211-Q215 PolarHBondContact O-N 3.48Å; L212-Q215 PolarHBondContact O-N 3.34Å; Q215-E218 PolarHBondContact O-N 2.87Å; Q215-N219 PolarHBondContact O-N 3.02Å; Q215-Y256 HydrophobicContact CB-CE1 3.85Å; Q215-Y256 HydrophobicContact CG-CE1 3.95Å; Q215-Y256 WeakPolarHBondContact CG-OH 3.37Å |
| 216 | A | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F168 L212 D213 R214 N219 Y220 L252 Y256 | F168-A216 HydrophobicContact CD1-CB 4.01Å; F168-A216 HydrophobicContact CE1-CB 4.02Å; L212-A216 PolarHBondContact O-N 3.09Å; D213-A216 PolarHBondContact O-N 3.27Å; R214-A216 VanDerWaalsContact C-N 3.31Å; R214-A216 PolarHBondContact O-N 3.39Å; A216-N219 PolarHBondContact O-N 3.07Å; A216-Y220 WeakPolarHBondContact O-CB 3.41Å; A216-Y220 PolarHBondContact O-N 3.42Å; A216-L252 VanDerWaalsContact O-CD2 3.22Å; A216-L252 WeakPolarHBondContact O-CD2 3.4Å; A216-Y256 HydrophobicContact CB-CD1 4.41Å; A216-Y256 HydrophobicContact CB-CD2 3.6Å; A216-Y256 HydrophobicContact CB-CE2 3.8Å; A216-Y256 HydrophobicContact CB-CG 3.93Å |
| 217 | E | 95.6 | Very high | 93.1 | Very high | 57 Ų | 57 | 65.5 Ų | 65.5 | 27% | 0.266 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 175.3 | -171.9 | -175.8 | -170 | 0 | 0 | 112.1 | F168 D213 R214 Y220 R221 | F168-E217 HydrophobicContact CB-CB 4.02Å; F168-E217 HydrophobicContact CB-CG 4.4Å; F168-E217 HydrophobicContact CD1-CB 4.04Å; F168-E217 HydrophobicContact CD2-CB 3.89Å; F168-E217 HydrophobicContact CD2-CG 3.74Å; F168-E217 HydrophobicContact CE2-CB 4.4Å; F168-E217 HydrophobicContact CE2-CG 4.22Å; F168-E217 HydrophobicContact CG-CB 3.7Å; F168-E217 HydrophobicContact CG-CG 4.06Å; D213-E217 PolarHBondContact O-N 3.26Å; R214-E217 WeakPolarHBondContact O-CB 3.28Å; R214-E217 PolarHBondContact O-N 3.4Å; E217-Y220 WeakPolarHBondContact O-CB 3.46Å; E217-Y220 PolarHBondContact O-N 3.37Å; E217-R221 VanDerWaalsContact CD-NH2 3.26Å; E217-R221 WeakPolarHBondContact O-CG 3.02Å; E217-R221 PolarHBondContact O-N 3.43Å; E217-R221 IonicContact OE1-CZ 3.42Å; E217-R221 IonicContact OE1-NE 3.55Å; E217-R221 IonicContact OE1-NH2 2.66Å; E217-R221 PolarHBondContact OE1-NH2 3.28Å; E217-R221 IonicContact OE2-NH2 3.63Å |
| 218 | E | 96.5 | Very high | 93 | Very high | 107 Ų | 107 | 68.4 Ų | 68.4 | 50% | 0.5 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 178.2 | -74 | 173.1 | -175.8 | 0 | 0 | 111.9 | R214 Q215 Y220 R221 E222 | R214-E218 WeakPolarHBondContact O-CG 3.4Å; R214-E218 PolarHBondContact O-N 3.34Å; Q215-E218 PolarHBondContact O-N 2.87Å; E218-Y220 VanDerWaalsContact C-N 3.31Å; E218-Y220 PolarHBondContact O-N 2.85Å; E218-R221 WeakPolarHBondContact O-CB 3.27Å; E218-R221 PolarHBondContact O-N 2.03Å; E218-E222 PolarHBondContact O-N 3.41Å; E218-E222 VanDerWaalsContact O-N 3.13Å |
| 219 | N | 95.3 | Very high | 93 | Very high | 61 Ų | 61 | 75.7 Ų | 75.7 | 33% | 0.326 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -37.1 | 175.6 | -77.9 | 8.8 | 0 | 0 | 0 | 112.2 | Q215 A216 R221 E222 F223 L252 Y256 | Q215-N219 PolarHBondContact O-N 3.02Å; A216-N219 PolarHBondContact O-N 3.07Å; N219-R221 VanDerWaalsContact C-N 3.34Å; N219-E222 PolarHBondContact O-N 3.24Å; N219-F223 PolarHBondContact O-N 3.43Å; N219-F223 VanDerWaalsContact O-N 3.17Å; N219-L252 HydrophobicContact CB-CD1 4.45Å; N219-L252 HydrophobicContact CB-CD2 4.19Å; N219-Y256 PolarHBondContact ND2-OH 3.34Å |
| 220 | Y | 96.3 | Very high | 92.9 | Very high | 25 Ų | 25 | 78.6 Ų | 78.6 | 10% | 0.098 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 174.9 | -171.9 | -100.2 | 0 | 0 | 0 | 112 | F168 A216 E217 E218 E222 F223 E224 K245 Y248 K249 L252 | F168-Y220 AromaticContact CE2-CD1 3.89Å; F168-Y220 HydrophobicContact CE2-CD1 3.89Å; F168-Y220 AromaticContact CE2-CG 4Å; F168-Y220 HydrophobicContact CE2-CG 4Å; F168-Y220 VanDerWaalsContact CZ-CB 3.42Å; F168-Y220 AromaticContact CZ-CD1 3.93Å; F168-Y220 HydrophobicContact CZ-CD1 3.93Å; F168-Y220 HydrophobicContact CZ-CD2 4.07Å; F168-Y220 AromaticContact CZ-CG 3.53Å; F168-Y220 HydrophobicContact CZ-CG 3.53Å; A216-Y220 WeakPolarHBondContact O-CB 3.41Å; A216-Y220 PolarHBondContact O-N 3.42Å; E217-Y220 WeakPolarHBondContact O-CB 3.46Å; E217-Y220 PolarHBondContact O-N 3.37Å; E218-Y220 VanDerWaalsContact C-N 3.31Å; E218-Y220 PolarHBondContact O-N 2.85Å; Y220-E222 VanDerWaalsContact C-N 3.31Å; Y220-E222 PolarHBondContact O-N 2.76Å; Y220-F223 HydrophobicContact CD2-CD1 4.25Å; Y220-F223 HydrophobicContact CE2-CD1 4.02Å; Y220-F223 HydrophobicContact CE2-CE1 4.3Å; Y220-F223 CarbonylContact O-C 3.59Å; Y220-F223 WeakPolarHBondContact O-CB 3.21Å; Y220-F223 PolarHBondContact O-N 2.91Å; Y220-F223 VanDerWaalsContact O-N 3.17Å; Y220-E224 HydrophobicContact CD1-CG 3.89Å; Y220-E224 HydrophobicContact CE1-CG 3.61Å; Y220-E224 WeakPolarHBondContact O-CG 3.5Å; Y220-E224 PolarHBondContact O-N 3.5Å; Y220-K245 WeakPolarHBondContact OH-CB 3.08Å; Y220-K245 PolarHBondContact OH-O 3.48Å; Y220-Y248 AromaticContact CD2-CD1 3.78Å; Y220-Y248 HydrophobicContact CD2-CD1 3.78Å; Y220-Y248 HydrophobicContact CD2-CE1 4.21Å; Y220-Y248 AromaticContact CE2-CD1 3.88Å; Y220-Y248 HydrophobicContact CE2-CD1 3.88Å; Y220-K249 HydrophobicContact CD2-CB 4.05Å; Y220-K249 HydrophobicContact CE2-CB 3.53Å; Y220-K249 HydrophobicContact CE2-CG 4.37Å; Y220-L252 HydrophobicContact CD2-CD2 4.33Å |
| 221 | R | 96.4 | Very high | 92.4 | Very high | 131 Ų | 131 | 84.9 Ų | 84.9 | 49% | 0.494 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.2 | -37 | 175.6 | -72 | 173.9 | -176.6 | 176.2 | 2.8 | 112 | E217 E218 N219 F223 E224 L225 | E217-R221 VanDerWaalsContact CD-NH2 3.26Å; E217-R221 WeakPolarHBondContact O-CG 3.02Å; E217-R221 PolarHBondContact O-N 3.43Å; E217-R221 IonicContact OE1-CZ 3.42Å; E217-R221 IonicContact OE1-NE 3.55Å; E217-R221 IonicContact OE1-NH2 2.66Å; E217-R221 PolarHBondContact OE1-NH2 3.28Å; E217-R221 IonicContact OE2-NH2 3.63Å; E218-R221 WeakPolarHBondContact O-CB 3.27Å; E218-R221 PolarHBondContact O-N 2.03Å; N219-R221 VanDerWaalsContact C-N 3.34Å; R221-F223 VanDerWaalsContact C-N 3.33Å; R221-E224 PolarHBondContact O-N 2.79Å; R221-L225 WeakPolarHBondContact O-CG 3.26Å; R221-L225 PolarHBondContact O-N 3.35Å; R221-L225 VanDerWaalsContact O-N 3.08Å |
| 222 | E | 95 | Very high | 91.5 | Very high | 107 Ų | 107 | 80.1 Ų | 80.1 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 172.5 | -172.7 | -179.4 | -175.7 | 0 | 0 | 111.1 | E218 N219 Y220 E224 L225 L226 | E218-E222 PolarHBondContact O-N 3.41Å; E218-E222 VanDerWaalsContact O-N 3.13Å; N219-E222 PolarHBondContact O-N 3.24Å; Y220-E222 VanDerWaalsContact C-N 3.31Å; Y220-E222 PolarHBondContact O-N 2.76Å; E222-E224 VanDerWaalsContact C-N 3.34Å; E222-E224 PolarHBondContact O-N 2.88Å; E222-L225 WeakPolarHBondContact O-CB 3.04Å; E222-L225 PolarHBondContact O-N 3.35Å; E222-L226 PolarHBondContact O-N 3.3Å |
| 223 | F | 94.4 | Very high | 90.4 | Very high | 24 Ų | 24 | 84.2 Ų | 84.2 | 11% | 0.105 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 173.4 | 167 | -102.6 | 0 | 0 | 0 | 112 | N219 Y220 R221 L225 L226 V227 K245 Y248 | N219-F223 PolarHBondContact O-N 3.43Å; N219-F223 VanDerWaalsContact O-N 3.17Å; Y220-F223 HydrophobicContact CD2-CD1 4.25Å; Y220-F223 HydrophobicContact CE2-CD1 4.02Å; Y220-F223 HydrophobicContact CE2-CE1 4.3Å; Y220-F223 CarbonylContact O-C 3.59Å; Y220-F223 WeakPolarHBondContact O-CB 3.21Å; Y220-F223 PolarHBondContact O-N 2.91Å; Y220-F223 VanDerWaalsContact O-N 3.17Å; R221-F223 VanDerWaalsContact C-N 3.33Å; F223-L225 VanDerWaalsContact C-N 3.29Å; F223-L225 PolarHBondContact O-N 3.15Å; F223-L226 WeakPolarHBondContact O-CA 3.17Å; F223-L226 WeakPolarHBondContact O-CB 2.92Å; F223-L226 PolarHBondContact O-N 3.46Å; F223-V227 HydrophobicContact CD1-CG2 4.13Å; F223-V227 HydrophobicContact CD2-CG2 4.3Å; F223-V227 HydrophobicContact CE1-CG2 3.63Å; F223-V227 HydrophobicContact CE2-CG2 3.82Å; F223-V227 HydrophobicContact CG-CG2 4.44Å; F223-V227 HydrophobicContact CZ-CG2 3.45Å; F223-V227 VanDerWaalsContact CZ-CG2 3.45Å; F223-V227 WeakPolarHBondContact O-CG2 3.31Å; F223-V227 PolarHBondContact O-N 2.86Å; F223-K245 HydrophobicContact CE1-CG 3.97Å; F223-Y248 HydrophobicContact CB-CD1 4.2Å; F223-Y248 HydrophobicContact CB-CE1 3.55Å; F223-Y248 AromaticContact CD1-CD1 3.36Å; F223-Y248 HydrophobicContact CD1-CD1 3.36Å; F223-Y248 AromaticContact CD1-CE1 3.66Å; F223-Y248 HydrophobicContact CD1-CE1 3.66Å; F223-Y248 AromaticContact CD1-CG 3.99Å; F223-Y248 HydrophobicContact CD1-CG 3.99Å; F223-Y248 HydrophobicContact CD2-CD1 4.09Å; F223-Y248 HydrophobicContact CD2-CD2 4.3Å; F223-Y248 AromaticContact CD2-CE1 3.9Å; F223-Y248 HydrophobicContact CD2-CE1 3.9Å; F223-Y248 HydrophobicContact CD2-CE2 4.11Å; F223-Y248 HydrophobicContact CD2-CG 4.29Å; F223-Y248 AromaticContact CD2-CZ 3.9Å; F223-Y248 AromaticContact CE1-CD1 3.63Å; F223-Y248 HydrophobicContact CE1-CD1 3.63Å; F223-Y248 HydrophobicContact CE1-CE1 4.31Å; F223-Y248 AromaticContact CE1-CG 3.79Å; F223-Y248 HydrophobicContact CE1-CG 3.79Å; F223-Y248 HydrophobicContact CE2-CD1 4.33Å; F223-Y248 HydrophobicContact CE2-CD2 4.12Å; F223-Y248 HydrophobicContact CE2-CE2 4.33Å; F223-Y248 HydrophobicContact CE2-CG 4.12Å; F223-Y248 AromaticContact CG-CD1 3.61Å; F223-Y248 HydrophobicContact CG-CD1 3.61Å; F223-Y248 AromaticContact CG-CE1 3.41Å; F223-Y248 HydrophobicContact CG-CE1 3.41Å; F223-Y248 VanDerWaalsContact CG-CE1 3.41Å; F223-Y248 HydrophobicContact CG-CE2 4.45Å; F223-Y248 HydrophobicContact CG-CG 4.22Å; F223-Y248 AromaticContact CG-CZ 3.87Å; F223-Y248 HydrophobicContact CZ-CD1 4.11Å; F223-Y248 HydrophobicContact CZ-CD2 4.27Å; F223-Y248 AromaticContact CZ-CG 3.86Å; F223-Y248 HydrophobicContact CZ-CG 3.86Å |
| 224 | E | 93.2 | Very high | 89.3 | Confident | 69 Ų | 69 | 90.8 Ų | 90.8 | 32% | 0.322 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.5 | -35.1 | 177.1 | -70.5 | -156.8 | 107.5 | 0 | 0 | 113.5 | Y220 R221 E222 L226 V227 Q228 K245 | Y220-E224 HydrophobicContact CD1-CG 3.89Å; Y220-E224 HydrophobicContact CE1-CG 3.61Å; Y220-E224 WeakPolarHBondContact O-CG 3.5Å; Y220-E224 PolarHBondContact O-N 3.5Å; R221-E224 PolarHBondContact O-N 2.79Å; E222-E224 VanDerWaalsContact C-N 3.34Å; E222-E224 PolarHBondContact O-N 2.88Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-V227 WeakPolarHBondContact O-CB 3.41Å; E224-V227 PolarHBondContact O-N 2.87Å; E224-Q228 PolarHBondContact O-N 3.26Å; E224-K245 IonicContact OE1-NZ 2.74Å; E224-K245 PolarHBondContact OE1-NZ 2.62Å |
| 225 | L | 93.6 | Very high | 87.9 | Confident | 94 Ų | 94 | 94.5 Ų | 94.5 | 49% | 0.492 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 173.5 | -66.7 | 173.1 | 0 | 0 | 0 | 111.4 | R221 E222 F223 Q228 K229 | R221-L225 WeakPolarHBondContact O-CG 3.26Å; R221-L225 PolarHBondContact O-N 3.35Å; R221-L225 VanDerWaalsContact O-N 3.08Å; E222-L225 WeakPolarHBondContact O-CB 3.04Å; E222-L225 PolarHBondContact O-N 3.35Å; F223-L225 VanDerWaalsContact C-N 3.29Å; F223-L225 PolarHBondContact O-N 3.15Å; L225-Q228 PolarHBondContact O-N 3.25Å; L225-K229 WeakPolarHBondContact O-CG 3.02Å; L225-K229 PolarHBondContact O-N 3.09Å |
| 226 | L | 90.4 | Very high | 86.7 | Confident | 71 Ų | 71 | 92.1 Ų | 92.1 | 37% | 0.372 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 172 | 178.6 | 145.8 | 0 | 0 | 0 | 110.8 | E222 F223 E224 Q228 K229 Y230 V284 | E222-L226 PolarHBondContact O-N 3.3Å; F223-L226 WeakPolarHBondContact O-CA 3.17Å; F223-L226 WeakPolarHBondContact O-CB 2.92Å; F223-L226 PolarHBondContact O-N 3.46Å; E224-L226 VanDerWaalsContact C-N 3.31Å; L226-Q228 VanDerWaalsContact C-N 3.3Å; L226-Q228 PolarHBondContact O-N 2.9Å; L226-K229 PolarHBondContact O-N 3.01Å; L226-Y230 PolarHBondContact O-N 2.9Å; L226-V284 HydrophobicContact CD1-CG1 4.12Å; L226-V284 HydrophobicContact CD2-CG2 4.15Å |
| 227 | V | 89.2 | Confident | 85.4 | Confident | 15 Ų | 15 | 97.7 Ų | 97.7 | 9% | 0.091 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -59.5 | -41 | 176.9 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | F223 E224 K229 Y230 M241 K245 | F223-V227 HydrophobicContact CD1-CG2 4.13Å; F223-V227 HydrophobicContact CD2-CG2 4.3Å; F223-V227 HydrophobicContact CE1-CG2 3.63Å; F223-V227 HydrophobicContact CE2-CG2 3.82Å; F223-V227 HydrophobicContact CG-CG2 4.44Å; F223-V227 HydrophobicContact CZ-CG2 3.45Å; F223-V227 VanDerWaalsContact CZ-CG2 3.45Å; F223-V227 WeakPolarHBondContact O-CG2 3.31Å; F223-V227 PolarHBondContact O-N 2.86Å; E224-V227 WeakPolarHBondContact O-CB 3.41Å; E224-V227 PolarHBondContact O-N 2.87Å; V227-K229 VanDerWaalsContact C-N 3.31Å; V227-K229 PolarHBondContact O-N 3.14Å; V227-Y230 PolarHBondContact O-N 3.22Å; V227-M241 HydrophobicContact CB-CE 3.79Å; V227-M241 HydrophobicContact CG1-CB 3.66Å; V227-M241 HydrophobicContact CG1-CE 3.54Å; V227-M241 HydrophobicContact CG1-CG 4.04Å; V227-M241 HydrophobicContact CG2-CE 3.47Å; V227-M241 VanDerWaalsContact CG2-CE 3.47Å; V227-K245 VanDerWaalsContact CG1-CE 3.48Å; V227-K245 HydrophobicContact CG2-CG 4.39Å |
| 228 | Q | 88.9 | Confident | 84.1 | Confident | 161 Ų | 161 | 104.9 Ų | 104.9 | 75% | 0.752 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.2 | -33.4 | 178.6 | -173.1 | -179.7 | 9.6 | 0 | 0 | 112.7 | E224 L225 L226 | E224-Q228 PolarHBondContact O-N 3.26Å; L225-Q228 PolarHBondContact O-N 3.25Å; L226-Q228 VanDerWaalsContact C-N 3.3Å; L226-Q228 PolarHBondContact O-N 2.9Å |
| 229 | K | 88.9 | Confident | 83.1 | Confident | 173 Ų | 173 | 101.6 Ų | 101.6 | 75% | 0.752 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -83.9 | -12.4 | 178.9 | -68.8 | 173.3 | -176.5 | 176.5 | 0 | 113.2 | L225 L226 V227 E231 | L225-K229 WeakPolarHBondContact O-CG 3.02Å; L225-K229 PolarHBondContact O-N 3.09Å; L226-K229 PolarHBondContact O-N 3.01Å; V227-K229 VanDerWaalsContact C-N 3.31Å; V227-K229 PolarHBondContact O-N 3.14Å; K229-E231 PolarHBondContact O-N 3.48Å; K229-E231 VanDerWaalsContact O-N 3.13Å |
| 230 | Y | 85.6 | Confident | 82.5 | Confident | 62 Ų | 62 | 99.5 Ų | 99.5 | 24% | 0.243 | 48% | 0.477 | C | S | . | . | trans | -73.8 | 104 | -177.5 | -171.2 | -98.7 | 0 | 0 | 0 | 110.6 | L226 V227 T232 M241 P282 | L226-Y230 PolarHBondContact O-N 2.9Å; V227-Y230 PolarHBondContact O-N 3.22Å; Y230-T232 HydrophobicContact CD1-CG2 4.03Å; Y230-T232 HydrophobicContact CE1-CG2 3.5Å; Y230-T232 VanDerWaalsContact CE1-CG2 3.5Å; Y230-M241 HydrophobicContact CD1-CE 4.36Å; Y230-M241 HydrophobicContact CD1-CG 4.37Å; Y230-M241 HydrophobicContact CD1-SD 3.8Å; Y230-M241 HydrophobicContact CE1-SD 4.24Å; Y230-M241 HydrophobicContact CG-CE 4.41Å; Y230-M241 HydrophobicContact CG-SD 4.43Å; Y230-P282 HydrophobicContact CD1-CG 4.34Å; Y230-P282 HydrophobicContact CD2-CG 4.35Å; Y230-P282 HydrophobicContact CE1-CB 3.75Å; Y230-P282 HydrophobicContact CE1-CG 3.98Å; Y230-P282 HydrophobicContact CE2-CB 3.86Å; Y230-P282 HydrophobicContact CE2-CG 4.03Å; Y230-P282 VanDerWaalsContact OH-CB 3.27Å; Y230-P282 WeakPolarHBondContact OH-CB 3.31Å | ||
| 231 | E | 81.3 | Confident | 82.1 | Confident | 169 Ų | 169 | 99.7 Ų | 99.7 | 79% | 0.79 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -95 | 137.1 | 175.1 | -166.1 | 166.1 | -168.1 | 0 | 0 | 110.4 | K229 | K229-E231 PolarHBondContact O-N 3.48Å; K229-E231 VanDerWaalsContact O-N 3.13Å |
| 232 | T | 72.8 | Confident | 81.7 | Confident | 76 Ų | 76 | 98.6 Ų | 98.6 | 47% | 0.466 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -103.8 | 116.5 | 179.2 | 48.5 | 0 | 0 | 0 | 0 | 110.2 | Y230 | Y230-T232 HydrophobicContact CD1-CG2 4.03Å; Y230-T232 HydrophobicContact CE1-CG2 3.5Å; Y230-T232 VanDerWaalsContact CE1-CG2 3.5Å |
| 233 | D | 68 | Low | 81.3 | Confident | 122 Ų | 122 | 95.6 Ų | 95.6 | 65% | 0.652 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -77.1 | 164.9 | 174 | -77.9 | -38.1 | 0 | 0 | 0 | 112.7 | Y235 S236 | D233-Y235 PolarHBondContact O-N 3.26Å; D233-Y235 VanDerWaalsContact O-N 3.13Å; D233-S236 VanDerWaalsContact O-CB 3.25Å; D233-S236 WeakPolarHBondContact O-CB 3.19Å; D233-S236 PolarHBondContact O-N 2.01Å |
| 234 | V | 70.1 | Confident | 81.1 | Confident | 139 Ų | 139 | 94.4 Ų | 94.4 | 84% | 0.842 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -28.4 | 179.5 | -178.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 235 | Y | 65.6 | Low | 81 | Confident | 229 Ų | 229 | 93.4 Ų | 93.4 | 90% | 0.898 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 2.7 | 178.3 | -56.9 | -73.6 | 0 | 0 | 0 | 113.2 | D233 | D233-Y235 PolarHBondContact O-N 3.26Å; D233-Y235 VanDerWaalsContact O-N 3.13Å |
| 236 | S | 68.8 | Low | 80.7 | Confident | 42 Ų | 42 | 92.8 Ų | 92.8 | 29% | 0.294 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -81.9 | 143.9 | 178.5 | -166.8 | 0 | 0 | 0 | 0 | 111.3 | D233 R238 | D233-S236 VanDerWaalsContact O-CB 3.25Å; D233-S236 WeakPolarHBondContact O-CB 3.19Å; D233-S236 PolarHBondContact O-N 2.01Å; S236-R238 PolarHBondContact O-N 2.03Å |
| 237 | V | 67.7 | Low | 80.7 | Confident | 118 Ų | 118 | 89.7 Ų | 89.7 | 72% | 0.715 | 44% | 0.438 | S | S | * | . | trans | -62.7 | 122.9 | 169.5 | 178.6 | 0 | 0 | 0 | 0 | 107.2 | T239 | V237-T239 PolarHBondContact O-N 2.86Š| ||
| 238 | R | 67.8 | Low | 80.9 | Confident | 208 Ų | 208 | 90.7 Ų | 90.7 | 79% | 0.785 | 44% | 0.44 | S | S | * | . | trans | -67.7 | 104.2 | 179.1 | -68.3 | -175.7 | -178.6 | 175.6 | 0.6 | 109.3 | S236 | S236-R238 PolarHBondContact O-N 2.03Š| ||
| 239 | T | 75.1 | Confident | 81.1 | Confident | 37 Ų | 37 | 85.4 Ų | 85.4 | 23% | 0.227 | 42% | 0.415 | C | S | . | . | trans | -101.6 | 133.9 | 172.4 | -52.7 | 0 | 0 | 0 | 0 | 109.5 | V237 M241 R280 P282 | V237-T239 PolarHBondContact O-N 2.86Å; T239-M241 PolarHBondContact O-N 3.3Å; T239-R280 WeakPolarHBondContact CG2-O 3.46Å; T239-P282 HydrophobicContact CG2-CB 4.33Å | ||
| 240 | C | 84.5 | Confident | 81.2 | Confident | 18 Ų | 18 | 77.7 Ų | 77.7 | 12% | 0.122 | 38% | 0.382 | C | S | . | . | trans | -81.1 | 110 | 171.8 | -170.7 | 0 | 0 | 0 | 0 | 109.5 | D242 E243 C244 C342 | C240-D242 PolarHBondContact O-N 3.27Å; C240-E243 HydrophobicContact CB-CB 4.07Å; C240-E243 HydrophobicContact CB-CG 3.87Å; C240-E243 PolarHBondContact O-N 3.29Å; C240-C244 PolarHBondContact O-N 3.36Å; C240-C244 VanDerWaalsContact O-N 3.15Å; C240-C342 HydrophobicContact CB-CB 3.8Å; C240-C342 WeakPolarHBondContact CB-SG 3.31Å; C240-C342 WeakPolarHBondContact SG-CB 3.3Å; C240-C342 CovalentContact SG-SG 2.03Å; C240-C342 PolarHBondContact SG-SG 3.3Å | ||
| 241 | M | 87.5 | Confident | 81.5 | Confident | 29 Ų | 29 | 76.5 Ų | 76.5 | 14% | 0.143 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.9 | -29.8 | 178.6 | -64.7 | -51.9 | -71 | 0 | 0 | 112.6 | V227 Y230 T239 C244 K245 P282 | V227-M241 HydrophobicContact CB-CE 3.79Å; V227-M241 HydrophobicContact CG1-CB 3.66Å; V227-M241 HydrophobicContact CG1-CE 3.54Å; V227-M241 HydrophobicContact CG1-CG 4.04Å; V227-M241 HydrophobicContact CG2-CE 3.47Å; V227-M241 VanDerWaalsContact CG2-CE 3.47Å; Y230-M241 HydrophobicContact CD1-CE 4.36Å; Y230-M241 HydrophobicContact CD1-CG 4.37Å; Y230-M241 HydrophobicContact CD1-SD 3.8Å; Y230-M241 HydrophobicContact CE1-SD 4.24Å; Y230-M241 HydrophobicContact CG-CE 4.41Å; Y230-M241 HydrophobicContact CG-SD 4.43Å; T239-M241 PolarHBondContact O-N 3.3Å; M241-C244 WeakPolarHBondContact O-CB 3.36Å; M241-C244 PolarHBondContact O-N 2.89Å; M241-K245 WeakPolarHBondContact O-CG 3.29Å; M241-K245 PolarHBondContact O-N 3.25Å; M241-P282 HydrophobicContact CE-CG 3.91Å; M241-P282 HydrophobicContact SD-CG 3.6Å |
| 242 | D | 86.9 | Confident | 82 | Confident | 108 Ų | 108 | 68.9 Ų | 68.9 | 58% | 0.578 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 175.6 | -60.5 | -37.9 | 0 | 0 | 0 | 111.2 | C240 C244 K245 M246 | C240-D242 PolarHBondContact O-N 3.27Å; D242-C244 VanDerWaalsContact C-N 3.33Å; D242-C244 PolarHBondContact O-N 3.3Å; D242-K245 WeakPolarHBondContact O-CB 3.01Å; D242-K245 PolarHBondContact O-N 2.52Å; D242-M246 VanDerWaalsContact O-CG 3.24Å; D242-M246 WeakPolarHBondContact O-CG 3.45Å; D242-M246 PolarHBondContact O-N 2.91Å; D242-M246 VanDerWaalsContact O-N 3.09Å |
| 243 | E | 87 | Confident | 82.9 | Confident | 43 Ų | 43 | 65.3 Ų | 65.3 | 20% | 0.201 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 175.2 | -67.2 | -173.5 | 169.4 | 0 | 0 | 111.8 | C240 M246 V247 H344 | C240-E243 HydrophobicContact CB-CB 4.07Å; C240-E243 HydrophobicContact CB-CG 3.87Å; C240-E243 PolarHBondContact O-N 3.29Å; E243-M246 PolarHBondContact O-N 3.14Å; E243-V247 PolarHBondContact O-N 3.45Å; E243-H344 IonicContact OE1-ND1 3.82Å |
| 244 | C | 90.8 | Very high | 84 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62 | -46.1 | 173.8 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | C240 M241 D242 M246 V247 Y248 C281 | C240-C244 PolarHBondContact O-N 3.36Å; C240-C244 VanDerWaalsContact O-N 3.15Å; M241-C244 WeakPolarHBondContact O-CB 3.36Å; M241-C244 PolarHBondContact O-N 2.89Å; D242-C244 VanDerWaalsContact C-N 3.33Å; D242-C244 PolarHBondContact O-N 3.3Å; C244-M246 PolarHBondContact O-N 2.92Å; C244-V247 VanDerWaalsContact O-CG2 3.29Å; C244-V247 WeakPolarHBondContact O-CG2 3.42Å; C244-V247 PolarHBondContact O-N 3.4Å; C244-Y248 VanDerWaalsContact O-CB 3.23Å; C244-Y248 WeakPolarHBondContact O-CB 3.46Å; C244-Y248 PolarHBondContact O-N 2.74Å; C244-C281 VanDerWaalsContact CA-SG 3.51Å; C244-C281 HydrophobicContact CB-CB 3.97Å; C244-C281 WeakPolarHBondContact CB-SG 2.8Å; C244-C281 WeakPolarHBondContact SG-CA 2.99Å; C244-C281 WeakPolarHBondContact SG-CB 3.45Å; C244-C281 CovalentContact SG-SG 2.03Å; C244-C281 PolarHBondContact SG-SG 2.88Å |
| 245 | K | 90.8 | Very high | 84.8 | Confident | 47 Ų | 47 | 55.8 Ų | 55.8 | 20% | 0.204 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.6 | -39.7 | 175.9 | -80.1 | -173.9 | 178.4 | -156.2 | 0 | 112.6 | Y220 F223 E224 V227 M241 D242 K249 | Y220-K245 WeakPolarHBondContact OH-CB 3.08Å; Y220-K245 PolarHBondContact OH-O 3.48Å; F223-K245 HydrophobicContact CE1-CG 3.97Å; E224-K245 IonicContact OE1-NZ 2.74Å; E224-K245 PolarHBondContact OE1-NZ 2.62Å; V227-K245 VanDerWaalsContact CG1-CE 3.48Å; V227-K245 HydrophobicContact CG2-CG 4.39Å; M241-K245 WeakPolarHBondContact O-CG 3.29Å; M241-K245 PolarHBondContact O-N 3.25Å; D242-K245 WeakPolarHBondContact O-CB 3.01Å; D242-K245 PolarHBondContact O-N 2.52Å; K245-K249 PolarHBondContact O-N 3.39Å |
| 246 | M | 88 | Confident | 85.9 | Confident | 82 Ų | 82 | 46.6 Ų | 46.6 | 40% | 0.404 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.8 | -36.9 | -178.8 | -69.3 | -62.4 | -125.1 | 0 | 0 | 112.9 | D242 E243 C244 P250 W323 | D242-M246 VanDerWaalsContact O-CG 3.24Å; D242-M246 WeakPolarHBondContact O-CG 3.45Å; D242-M246 PolarHBondContact O-N 2.91Å; D242-M246 VanDerWaalsContact O-N 3.09Å; E243-M246 PolarHBondContact O-N 3.14Å; C244-M246 PolarHBondContact O-N 2.92Å; M246-P250 WeakPolarHBondContact O-CD 3.03Å; M246-P250 WeakPolarHBondContact O-CG 3.23Å; M246-W323 HydrophobicContact CB-CD2 3.99Å; M246-W323 HydrophobicContact CB-CE3 4.17Å; M246-W323 HydrophobicContact CB-CZ2 4.33Å; M246-W323 HydrophobicContact CE-CD2 4.27Å; M246-W323 HydrophobicContact CE-CG 3.68Å; M246-W323 HydrophobicContact CG-CD2 4.44Å; M246-W323 WeakPolarHBondContact O-CH2 3.32Å; M246-W323 WeakPolarHBondContact O-CZ2 3.42Å; M246-W323 HydrophobicContact SD-CD2 4.39Å; M246-W323 HydrophobicContact SD-CG 4.39Å; M246-W323 PolarHBondContact SD-NE1 3.46Å; M246-W323 VanDerWaalsContact SD-NE1 3.36Å |
| 247 | V | 89.7 | Confident | 86.8 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -85.4 | -26.3 | 176.6 | -62.7 | 0 | 0 | 0 | 0 | 113.2 | E243 C244 P250 W251 E276 V277 R280 | E243-V247 PolarHBondContact O-N 3.45Å; C244-V247 VanDerWaalsContact O-CG2 3.29Å; C244-V247 WeakPolarHBondContact O-CG2 3.42Å; C244-V247 PolarHBondContact O-N 3.4Å; V247-P250 WeakPolarHBondContact O-CD 3.49Å; V247-W251 WeakPolarHBondContact O-CB 2.92Å; V247-W251 PolarHBondContact O-N 3.3Å; V247-E276 HydrophobicContact CB-CB 4.26Å; V247-E276 HydrophobicContact CG1-CB 4.13Å; V247-V277 HydrophobicContact CB-CG2 4.23Å; V247-V277 HydrophobicContact CG2-CB 4.46Å; V247-V277 HydrophobicContact CG2-CG2 3.92Å; V247-V277 WeakPolarHBondContact O-CG2 3.5Å; V247-R280 HydrophobicContact CG2-CB 4.05Å |
| 248 | Y | 92.4 | Very high | 87.5 | Confident | 35 Ų | 35 | 42.7 Ų | 42.7 | 14% | 0.137 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72 | -41.2 | -179.2 | -171.7 | -94.3 | 0 | 0 | 0 | 112.9 | Y220 F223 C244 W251 L252 V277 F299 | Y220-Y248 AromaticContact CD2-CD1 3.78Å; Y220-Y248 HydrophobicContact CD2-CD1 3.78Å; Y220-Y248 HydrophobicContact CD2-CE1 4.21Å; Y220-Y248 AromaticContact CE2-CD1 3.88Å; Y220-Y248 HydrophobicContact CE2-CD1 3.88Å; F223-Y248 HydrophobicContact CB-CD1 4.2Å; F223-Y248 HydrophobicContact CB-CE1 3.55Å; F223-Y248 AromaticContact CD1-CD1 3.36Å; F223-Y248 HydrophobicContact CD1-CD1 3.36Å; F223-Y248 AromaticContact CD1-CE1 3.66Å; F223-Y248 HydrophobicContact CD1-CE1 3.66Å; F223-Y248 AromaticContact CD1-CG 3.99Å; F223-Y248 HydrophobicContact CD1-CG 3.99Å; F223-Y248 HydrophobicContact CD2-CD1 4.09Å; F223-Y248 HydrophobicContact CD2-CD2 4.3Å; F223-Y248 AromaticContact CD2-CE1 3.9Å; F223-Y248 HydrophobicContact CD2-CE1 3.9Å; F223-Y248 HydrophobicContact CD2-CE2 4.11Å; F223-Y248 HydrophobicContact CD2-CG 4.29Å; F223-Y248 AromaticContact CD2-CZ 3.9Å; F223-Y248 AromaticContact CE1-CD1 3.63Å; F223-Y248 HydrophobicContact CE1-CD1 3.63Å; F223-Y248 HydrophobicContact CE1-CE1 4.31Å; F223-Y248 AromaticContact CE1-CG 3.79Å; F223-Y248 HydrophobicContact CE1-CG 3.79Å; F223-Y248 HydrophobicContact CE2-CD1 4.33Å; F223-Y248 HydrophobicContact CE2-CD2 4.12Å; F223-Y248 HydrophobicContact CE2-CE2 4.33Å; F223-Y248 HydrophobicContact CE2-CG 4.12Å; F223-Y248 AromaticContact CG-CD1 3.61Å; F223-Y248 HydrophobicContact CG-CD1 3.61Å; F223-Y248 AromaticContact CG-CE1 3.41Å; F223-Y248 HydrophobicContact CG-CE1 3.41Å; F223-Y248 VanDerWaalsContact CG-CE1 3.41Å; F223-Y248 HydrophobicContact CG-CE2 4.45Å; F223-Y248 HydrophobicContact CG-CG 4.22Å; F223-Y248 AromaticContact CG-CZ 3.87Å; F223-Y248 HydrophobicContact CZ-CD1 4.11Å; F223-Y248 HydrophobicContact CZ-CD2 4.27Å; F223-Y248 AromaticContact CZ-CG 3.86Å; F223-Y248 HydrophobicContact CZ-CG 3.86Å; C244-Y248 VanDerWaalsContact O-CB 3.23Å; C244-Y248 WeakPolarHBondContact O-CB 3.46Å; C244-Y248 PolarHBondContact O-N 2.74Å; Y248-W251 AromaticContact CD2-CE3 3.85Å; Y248-W251 HydrophobicContact CD2-CE3 3.85Å; Y248-W251 HydrophobicContact CD2-CZ3 4.16Å; Y248-W251 HydrophobicContact CE1-CZ3 4.43Å; Y248-W251 AromaticContact CE2-CE3 3.64Å; Y248-W251 HydrophobicContact CE2-CE3 3.64Å; Y248-W251 HydrophobicContact CE2-CH2 4.49Å; Y248-W251 AromaticContact CE2-CZ3 3.45Å; Y248-W251 HydrophobicContact CE2-CZ3 3.45Å; Y248-W251 VanDerWaalsContact CE2-CZ3 3.45Å; Y248-W251 HydrophobicContact CG-CE3 4.43Å; Y248-W251 AromaticContact CZ-CZ3 3.62Å; Y248-W251 PolarHBondContact O-N 2.94Å; Y248-L252 HydrophobicContact CE1-CD2 4.35Å; Y248-L252 WeakPolarHBondContact O-CB 3.48Å; Y248-L252 PolarHBondContact O-N 3.5Å; Y248-V277 HydrophobicContact CD2-CG1 4.02Å; Y248-V277 HydrophobicContact CD2-CG2 4.42Å; Y248-F299 HydrophobicContact CE2-CD2 4.34Å; Y248-F299 HydrophobicContact CE2-CE2 4.13Å |
| 249 | K | 93.3 | Very high | 88.3 | Confident | 51 Ų | 51 | 33 Ų | 33 | 22% | 0.222 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.7 | -53.4 | 178.7 | 176.8 | -176.2 | -176.2 | -163.6 | 0 | 113.1 | F168 N170 Y220 K245 L252 C253 | F168-K249 HydrophobicContact CE1-CG 4.34Å; F168-K249 HydrophobicContact CE2-CD 4.23Å; F168-K249 HydrophobicContact CE2-CG 4.4Å; F168-K249 HydrophobicContact CZ-CD 4.17Å; F168-K249 HydrophobicContact CZ-CG 3.84Å; F168-K249 WeakPolarHBondContact O-CE 3.2Å; F168-K249 PolarHBondContact O-NZ 3.27Å; N170-K249 PolarHBondContact OD1-NZ 2.83Å; N170-K249 VanDerWaalsContact OD1-NZ 3.09Å; Y220-K249 HydrophobicContact CD2-CB 4.05Å; Y220-K249 HydrophobicContact CE2-CB 3.53Å; Y220-K249 HydrophobicContact CE2-CG 4.37Å; K245-K249 PolarHBondContact O-N 3.39Å; K249-L252 WeakPolarHBondContact O-CB 3.08Å; K249-L252 PolarHBondContact O-N 3.18Å; K249-C253 PolarHBondContact O-N 2.03Å; K249-C253 PolarHBondContact O-SG 3.18Å; K249-C253 VanDerWaalsContact O-SG 3.42Å |
| 250 | P | 90.8 | Very high | 88.7 | Confident | 11 Ų | 11 | 33.5 Ų | 33.5 | 7% | 0.071 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.1 | -35.5 | 178.6 | 1.7 | 2.5 | 0 | 0 | 0 | 112.6 | M246 V247 L252 C253 S254 Y273 V321 W323 | M246-P250 WeakPolarHBondContact O-CD 3.03Å; M246-P250 WeakPolarHBondContact O-CG 3.23Å; V247-P250 WeakPolarHBondContact O-CD 3.49Å; P250-L252 VanDerWaalsContact C-N 3.33Å; P250-L252 PolarHBondContact O-N 2.87Å; P250-C253 PolarHBondContact O-N 3.5Å; P250-S254 WeakPolarHBondContact O-CB 3.35Å; P250-S254 PolarHBondContact O-N 2.97Å; P250-Y273 HydrophobicContact CB-CD1 4.02Å; P250-Y273 HydrophobicContact CB-CE1 3.79Å; P250-Y273 HydrophobicContact CB-CE2 4.41Å; P250-Y273 HydrophobicContact CB-CG 4.46Å; P250-Y273 HydrophobicContact CG-CD1 4.3Å; P250-Y273 HydrophobicContact CG-CE1 4.04Å; P250-V321 HydrophobicContact CB-CG2 3.59Å; P250-V321 HydrophobicContact CG-CG2 3.51Å; P250-W323 HydrophobicContact CG-CH2 3.43Å; P250-W323 VanDerWaalsContact CG-CH2 3.43Å; P250-W323 HydrophobicContact CG-CZ2 3.88Å |
| 251 | W | 91.9 | Very high | 88.7 | Confident | 37 Ų | 37 | 32.8 Ų | 32.8 | 14% | 0.14 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.7 | -50.2 | 169.9 | 170.4 | 73.6 | 0 | 0 | 0 | 110.7 | V247 Y248 C253 S254 Q255 C274 V277 F299 | V247-W251 WeakPolarHBondContact O-CB 2.92Å; V247-W251 PolarHBondContact O-N 3.3Å; Y248-W251 AromaticContact CD2-CE3 3.85Å; Y248-W251 HydrophobicContact CD2-CE3 3.85Å; Y248-W251 HydrophobicContact CD2-CZ3 4.16Å; Y248-W251 HydrophobicContact CE1-CZ3 4.43Å; Y248-W251 AromaticContact CE2-CE3 3.64Å; Y248-W251 HydrophobicContact CE2-CE3 3.64Å; Y248-W251 HydrophobicContact CE2-CH2 4.49Å; Y248-W251 AromaticContact CE2-CZ3 3.45Å; Y248-W251 HydrophobicContact CE2-CZ3 3.45Å; Y248-W251 VanDerWaalsContact CE2-CZ3 3.45Å; Y248-W251 HydrophobicContact CG-CE3 4.43Å; Y248-W251 AromaticContact CZ-CZ3 3.62Å; Y248-W251 PolarHBondContact O-N 2.94Å; W251-C253 PolarHBondContact O-N 3.47Å; W251-S254 WeakPolarHBondContact O-CB 3.36Å; W251-S254 PolarHBondContact O-N 3.24Å; W251-S254 VanDerWaalsContact O-N 3.14Å; W251-S254 PolarHBondContact O-OG 3.13Å; W251-Q255 HydrophobicContact CD2-CG 4.43Å; W251-Q255 HydrophobicContact CH2-CG 4.39Å; W251-Q255 HydrophobicContact CZ2-CG 3.86Å; W251-Q255 PolarHBondContact O-N 3.1Å; W251-C274 VanDerWaalsContact CD1-CA 3.49Å; W251-V277 HydrophobicContact CB-CG2 3.77Å; W251-V277 HydrophobicContact CG-CG2 4.07Å; W251-F299 AromaticContact CD2-CE2 3.81Å; W251-F299 HydrophobicContact CD2-CE2 3.81Å; W251-F299 AromaticContact CD2-CZ 3.74Å; W251-F299 HydrophobicContact CD2-CZ 3.74Å; W251-F299 AromaticContact CE2-CE2 3.59Å; W251-F299 AromaticContact CE2-CZ 3.43Å; W251-F299 VanDerWaalsContact CE2-CZ 3.43Å; W251-F299 AromaticContact CE3-CE2 3.82Å; W251-F299 HydrophobicContact CE3-CE2 3.82Å; W251-F299 HydrophobicContact CE3-CZ 4.22Å; W251-F299 HydrophobicContact CG-CZ 4.24Å; W251-F299 HydrophobicContact CH2-CD2 4.41Å; W251-F299 AromaticContact CH2-CE2 3.48Å; W251-F299 HydrophobicContact CH2-CE2 3.48Å; W251-F299 VanDerWaalsContact CH2-CE2 3.48Å; W251-F299 HydrophobicContact CH2-CZ 4.21Å; W251-F299 AromaticContact CZ2-CE2 3.42Å; W251-F299 HydrophobicContact CZ2-CE2 3.42Å; W251-F299 VanDerWaalsContact CZ2-CE2 3.42Å; W251-F299 AromaticContact CZ2-CZ 3.69Å; W251-F299 HydrophobicContact CZ2-CZ 3.69Å; W251-F299 AromaticContact CZ3-CE2 3.69Å; W251-F299 HydrophobicContact CZ3-CE2 3.69Å; W251-F299 HydrophobicContact CZ3-CZ 4.45Å; W251-F299 AromaticContact NE1-CZ 3.73Å |
| 252 | L | 93 | Very high | 88.2 | Confident | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 179.5 | -173.8 | 66.5 | 0 | 0 | 0 | 111.4 | A216 N219 Y220 Y248 K249 P250 S254 Q255 Y256 | A216-L252 VanDerWaalsContact O-CD2 3.22Å; A216-L252 WeakPolarHBondContact O-CD2 3.4Å; N219-L252 HydrophobicContact CB-CD1 4.45Å; N219-L252 HydrophobicContact CB-CD2 4.19Å; Y220-L252 HydrophobicContact CD2-CD2 4.33Å; Y248-L252 HydrophobicContact CE1-CD2 4.35Å; Y248-L252 WeakPolarHBondContact O-CB 3.48Å; Y248-L252 PolarHBondContact O-N 3.5Å; K249-L252 WeakPolarHBondContact O-CB 3.08Å; K249-L252 PolarHBondContact O-N 3.18Å; P250-L252 VanDerWaalsContact C-N 3.33Å; P250-L252 PolarHBondContact O-N 2.87Å; L252-S254 VanDerWaalsContact C-N 3.26Å; L252-S254 PolarHBondContact O-N 2.58Å; L252-Q255 WeakPolarHBondContact O-CB 3.1Å; L252-Q255 PolarHBondContact O-N 3.35Å; L252-Y256 HydrophobicContact CD1-CD2 4.31Å; L252-Y256 HydrophobicContact CD1-CE2 3.91Å; L252-Y256 HydrophobicContact CG-CD2 4.27Å; L252-Y256 HydrophobicContact CG-CE2 4.17Å; L252-Y256 WeakPolarHBondContact O-CD2 3.16Å; L252-Y256 PolarHBondContact O-N 2.87Å |
| 253 | C | 92.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.4 | -37.4 | 176.1 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | C169 Y172 K249 P250 W251 Q255 Y256 F257 | C169-C253 WeakPolarHBondContact CA-SG 3.17Å; C169-C253 HydrophobicContact CB-CB 3.81Å; C169-C253 WeakPolarHBondContact CB-SG 2.98Å; C169-C253 WeakPolarHBondContact SG-CB 3.47Å; C169-C253 CovalentContact SG-SG 2.04Å; C169-C253 PolarHBondContact SG-SG 3.24Å; Y172-C253 HydrophobicContact CD2-CB 4.34Å; Y172-C253 HydrophobicContact CE2-CB 3.77Å; K249-C253 PolarHBondContact O-N 2.03Å; K249-C253 PolarHBondContact O-SG 3.18Å; K249-C253 VanDerWaalsContact O-SG 3.42Å; P250-C253 PolarHBondContact O-N 3.5Å; W251-C253 PolarHBondContact O-N 3.47Å; C253-Q255 VanDerWaalsContact C-N 3.27Å; C253-Q255 PolarHBondContact O-N 2.96Å; C253-Y256 PolarHBondContact O-N 2.97Å; C253-F257 PolarHBondContact O-N 2.86Å |
| 254 | S | 89.4 | Confident | 87.2 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.014 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.3 | -24.2 | 175.7 | 78.9 | 0 | 0 | 0 | 0 | 114.2 | Y172 P250 W251 L252 | Y172-S254 WeakPolarHBondContact OH-CA 3.22Å; P250-S254 WeakPolarHBondContact O-CB 3.35Å; P250-S254 PolarHBondContact O-N 2.97Å; W251-S254 WeakPolarHBondContact O-CB 3.36Å; W251-S254 PolarHBondContact O-N 3.24Å; W251-S254 VanDerWaalsContact O-N 3.14Å; W251-S254 PolarHBondContact O-OG 3.13Å; L252-S254 VanDerWaalsContact C-N 3.26Å; L252-S254 PolarHBondContact O-N 2.58Å |
| 255 | Q | 88.3 | Confident | 86.6 | Confident | 59 Ų | 59 | 33.5 Ų | 33.5 | 28% | 0.276 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -76 | -36.4 | 174.2 | -63.6 | -55.3 | -66.8 | 0 | 0 | 111.9 | W251 L252 C253 Q258 | W251-Q255 HydrophobicContact CD2-CG 4.43Å; W251-Q255 HydrophobicContact CH2-CG 4.39Å; W251-Q255 HydrophobicContact CZ2-CG 3.86Å; W251-Q255 PolarHBondContact O-N 3.1Å; L252-Q255 WeakPolarHBondContact O-CB 3.1Å; L252-Q255 PolarHBondContact O-N 3.35Å; C253-Q255 VanDerWaalsContact C-N 3.27Å; C253-Q255 PolarHBondContact O-N 2.96Å; Q255-Q258 PolarHBondContact O-NE2 2.9Å |
| 256 | Y | 87.9 | Confident | 86.2 | Confident | 36 Ų | 36 | 35.3 Ų | 35.3 | 14% | 0.141 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -75.8 | -41.4 | 176.7 | -83.5 | -87.6 | 0 | 0 | 0 | 112.8 | F181 L212 Q215 A216 N219 L252 C253 | F181-Y256 WeakPolarHBondContact CE2-O 3.43Å; F181-Y256 WeakPolarHBondContact CZ-O 3.42Å; L212-Y256 HydrophobicContact CB-CD1 4.37Å; L212-Y256 HydrophobicContact CD2-CD1 4.19Å; Q215-Y256 HydrophobicContact CB-CE1 3.85Å; Q215-Y256 HydrophobicContact CG-CE1 3.95Å; Q215-Y256 WeakPolarHBondContact CG-OH 3.37Å; A216-Y256 HydrophobicContact CB-CD1 4.41Å; A216-Y256 HydrophobicContact CB-CD2 3.6Å; A216-Y256 HydrophobicContact CB-CE2 3.8Å; A216-Y256 HydrophobicContact CB-CG 3.93Å; N219-Y256 PolarHBondContact ND2-OH 3.34Å; L252-Y256 HydrophobicContact CD1-CD2 4.31Å; L252-Y256 HydrophobicContact CD1-CE2 3.91Å; L252-Y256 HydrophobicContact CG-CD2 4.27Å; L252-Y256 HydrophobicContact CG-CE2 4.17Å; L252-Y256 WeakPolarHBondContact O-CD2 3.16Å; L252-Y256 PolarHBondContact O-N 2.87Å; C253-Y256 PolarHBondContact O-N 2.97Å |
| 257 | F | 87.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -115.9 | 88 | -176.6 | -57.8 | -71.4 | 0 | 0 | 0 | 110.2 | L166 C169 Y172 L177 F181 Y209 L212 D213 C253 T259 | L166-F257 HydrophobicContact CD1-CD2 4.27Å; L166-F257 HydrophobicContact CD1-CE1 4.05Å; L166-F257 HydrophobicContact CD1-CE2 3.52Å; L166-F257 HydrophobicContact CD1-CZ 3.38Å; C169-F257 HydrophobicContact CB-CD2 4.33Å; C169-F257 HydrophobicContact CB-CE2 4.02Å; Y172-F257 HydrophobicContact CD1-CB 3.94Å; Y172-F257 HydrophobicContact CD2-CD2 4.44Å; Y172-F257 HydrophobicContact CE1-CB 3.62Å; Y172-F257 HydrophobicContact CE2-CB 4.44Å; Y172-F257 HydrophobicContact CG-CB 4.45Å; Y172-F257 PolarHBondContact OH-O 3.18Å; L177-F257 HydrophobicContact CD2-CB 4.17Å; L177-F257 HydrophobicContact CD2-CD1 3.39Å; L177-F257 HydrophobicContact CD2-CE1 3.94Å; L177-F257 HydrophobicContact CD2-CG 3.91Å; F181-F257 HydrophobicContact CD2-CD1 4.43Å; F181-F257 HydrophobicContact CE2-CD1 4.29Å; F181-F257 HydrophobicContact CZ-CD1 4.42Å; Y209-F257 HydrophobicContact CD1-CE1 4.46Å; L212-F257 HydrophobicContact CB-CE1 3.91Å; L212-F257 HydrophobicContact CB-CZ 3.76Å; L212-F257 HydrophobicContact CD1-CE1 4.05Å; D213-F257 HydrophobicContact CB-CZ 4.45Å; C253-F257 PolarHBondContact O-N 2.86Å; F257-T259 PolarHBondContact O-N 3.37Å | ||
| 258 | Q | 82.9 | Confident | 86 | Confident | 79 Ų | 79 | 37.5 Ų | 37.5 | 37% | 0.369 | 19% | 0.186 | S | C | . | . | trans | -80.7 | 59.3 | 179 | -62.2 | 174.5 | 4.9 | 0 | 0 | 110.6 | Q255 G311 V312 | Q255-Q258 PolarHBondContact O-NE2 2.9Å; Q258-G311 PolarHBondContact OE1-O 2.84Å; Q258-V312 HydrophobicContact CG-CG2 4.12Å | ||
| 259 | T | 83.6 | Confident | 85.8 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -130 | 153.6 | -179.3 | -163.8 | 0 | 0 | 0 | 0 | 111.7 | Y172 D176 L177 G180 F257 | Y172-T259 HydrophobicContact CD1-CG2 4Å; Y172-T259 HydrophobicContact CE1-CG2 3.86Å; D176-T259 HydrophobicContact CB-CG2 4.5Å; D176-T259 PolarHBondContact O-OG1 3.17Å; L177-T259 HydrophobicContact CD2-CG2 4.27Å; G180-T259 VanDerWaalsContact CA-OG1 3.26Å; G180-T259 WeakPolarHBondContact CA-OG1 3.4Å; G180-T259 PolarHBondContact O-OG1 2.82Å; G180-T259 VanDerWaalsContact O-OG1 3.1Å; F257-T259 PolarHBondContact O-N 3.37Å |
| 260 | T | 83.9 | Confident | 85.5 | Confident | 46 Ų | 46 | 37.1 Ų | 37.1 | 28% | 0.282 | 19% | 0.193 | S | C | . | . | trans | -79.5 | 119.9 | 176.4 | -65.8 | 0 | 0 | 0 | 0 | 109.7 | I262 E317 | T260-I262 PolarHBondContact O-N 3.28Å; T260-E317 CarbonylContact C-O 3.55Å; T260-E317 WeakPolarHBondContact CA-O 3.27Å; T260-E317 HydrophobicContact CG2-CB 4.04Å | ||
| 261 | Q | 84.8 | Confident | 85.2 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | trans | -76.1 | 121.5 | 174.5 | -64.5 | 171.2 | 33.2 | 0 | 0 | 108.9 | S171 Y172 R267 E317 C319 | S171-Q261 PolarHBondContact O-OE1 3.47Å; Y172-Q261 HydrophobicContact CD1-CG 4Å; Y172-Q261 HydrophobicContact CE1-CG 3.8Å; Y172-Q261 PolarHBondContact OH-NE2 3.05Å; Q261-R267 PolarHBondContact O-NE 3.3Å; Q261-E317 PolarHBondContact N-O 3.22Å; Q261-C319 VanDerWaalsContact CB-SG 3.51Å; Q261-C319 PolarHBondContact OE1-SG 3.2Å | ||
| 262 | I | 77.8 | Confident | 85 | Confident | 59 Ų | 59 | 39.7 Ų | 39.7 | 30% | 0.303 | 22% | 0.217 | S | C | . | . | trans | -96.6 | -25.3 | -177.9 | 54.7 | 164.8 | 0 | 0 | 0 | 112.3 | L175 D176 T260 C264 R267 | L175-I262 HydrophobicContact CD2-CD1 3.9Å; L175-I262 HydrophobicContact CG-CD1 4.12Å; D176-I262 WeakPolarHBondContact OD1-CG1 3.41Å; D176-I262 PolarHBondContact OD1-N 3.25Å; T260-I262 PolarHBondContact O-N 3.28Å; I262-C264 PolarHBondContact O-N 3.07Å; I262-R267 VanDerWaalsContact CA-NH2 3.29Å; I262-R267 PolarHBondContact O-NH2 3.17Å | ||
| 263 | H | 74.4 | Confident | 84.8 | Confident | 41 Ų | 41 | 39.6 Ų | 39.6 | 19% | 0.19 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -98.7 | 54.3 | -165.9 | -154.2 | -80 | 0 | 0 | 0 | 114.2 | V129 S130 | V129-H263 VanDerWaalsContact CB-CE1 3.4Å; V129-H263 WeakPolarHBondContact CB-CE1 3.45Å; S130-H263 PolarHBondContact N-CE1 2.91Å |
| 264 | C | 77.9 | Confident | 84.7 | Confident | 12 Ų | 12 | 40.4 Ų | 40.4 | 8% | 0.081 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -150.3 | 155.5 | 174.8 | 47.6 | 0 | 0 | 0 | 0 | 114.7 | D127 I262 C319 | D127-C264 WeakPolarHBondContact O-CA 3.39Å; I262-C264 PolarHBondContact O-N 3.07Å; C264-C319 HydrophobicContact CB-CB 3.55Å; C264-C319 WeakPolarHBondContact CB-SG 3.25Å; C264-C319 WeakPolarHBondContact SG-CA 2.97Å; C264-C319 WeakPolarHBondContact SG-CB 3.41Å; C264-C319 CovalentContact SG-SG 2.01Å; C264-C319 PolarHBondContact SG-SG 3.22Å |
| 265 | S | 78.1 | Confident | 84.7 | Confident | 84 Ų | 84 | 43.4 Ų | 43.4 | 59% | 0.587 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -72.9 | -40.5 | -177.7 | -59 | 0 | 0 | 0 | 0 | 112.9 | D127 | D127-S265 PolarHBondContact O-N 2.69Š|
| 266 | N | 83.4 | Confident | 84.7 | Confident | 84 Ų | 84 | 41.6 Ų | 41.6 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | trans | -116.4 | 131.1 | -179.8 | -60.3 | -52.8 | 0 | 0 | 0 | 110 | D127 C319 D320 | D127-N266 PolarHBondContact OD2-ND2 3.06Å; N266-C319 CarbonylContact O-C 3.59Å; N266-C319 WeakPolarHBondContact O-CA 3.42Å; N266-D320 HydrophobicContact CB-CB 3.92Å; N266-D320 PolarHBondContact O-N 3.2Å | ||
| 267 | R | 85.5 | Confident | 84.9 | Confident | 103 Ų | 103 | 40 Ų | 40 | 39% | 0.389 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 143.6 | 179.2 | -62.7 | -175.2 | -168.1 | -177.9 | 2 | 111 | Q261 I262 E317 C318 | Q261-R267 PolarHBondContact O-NE 3.3Å; I262-R267 VanDerWaalsContact CA-NH2 3.29Å; I262-R267 PolarHBondContact O-NH2 3.17Å; R267-E317 HydrophobicContact CB-CB 4.22Å; R267-E317 WeakPolarHBondContact CD-OE2 3.45Å; R267-E317 IonicContact CZ-OE2 3.93Å; R267-E317 IonicContact NH1-OE2 2.65Å; R267-E317 PolarHBondContact NH1-OE2 2.81Å; R267-C318 CarbonylContact C-O 3.58Å; R267-C318 WeakPolarHBondContact CA-O 3.49Å |
| 268 | I | 86.9 | Confident | 85 | Confident | 31 Ų | 31 | 43.6 Ų | 43.6 | 16% | 0.159 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 153.8 | 174.7 | 59.5 | 172.9 | 0 | 0 | 0 | 108.9 | C270 Q272 Y273 C318 D320 | I268-C270 PolarHBondContact O-N 3.03Å; I268-Q272 HydrophobicContact CD1-CB 4.3Å; I268-Q272 HydrophobicContact CD1-CG 4.37Å; I268-Y273 HydrophobicContact CD1-CD2 4.41Å; I268-Y273 HydrophobicContact CD1-CE1 4.15Å; I268-Y273 HydrophobicContact CD1-CE2 3.86Å; I268-Y273 HydrophobicContact CG1-CE2 4.2Å; I268-C318 PolarHBondContact N-O 3.43Å; I268-C318 PolarHBondContact O-N 3.47Å; I268-C318 VanDerWaalsContact O-O 3.09Å; I268-D320 HydrophobicContact CD1-CB 4.4Å; I268-D320 HydrophobicContact CG1-CB 4.33Å; I268-D320 HydrophobicContact CG2-CB 3.91Å |
| 269 | P | 88.4 | Confident | 85.2 | Confident | 74 Ų | 74 | 46.7 Ų | 46.7 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 131.3 | 172 | 24.1 | -31.6 | 0 | 0 | 0 | 109.3 | G271 Q272 | P269-G271 PolarHBondContact O-N 3.19Å; P269-G271 VanDerWaalsContact O-N 3.09Å; P269-Q272 HydrophobicContact CG-CB 4.22Å; P269-Q272 WeakPolarHBondContact O-CB 3.14Å; P269-Q272 PolarHBondContact O-N 3.39Å |
| 270 | C | 87 | Confident | 85.4 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31.8 | -175.9 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | I268 Q272 Y273 V312 A316 E317 C318 | I268-C270 PolarHBondContact O-N 3.03Å; C270-Q272 PolarHBondContact O-N 3.07Å; C270-Y273 WeakPolarHBondContact O-CB 3.15Å; C270-Y273 PolarHBondContact O-N 2.99Å; C270-Y273 VanDerWaalsContact O-N 3.15Å; C270-V312 HydrophobicContact CB-CG1 4.32Å; C270-A316 PolarHBondContact N-O 3.49Å; C270-A316 PolarHBondContact SG-O 2.85Å; C270-E317 VanDerWaalsContact SG-C 3.58Å; C270-C318 HydrophobicContact CB-CB 4.04Å; C270-C318 WeakPolarHBondContact CB-SG 3.45Å; C270-C318 WeakPolarHBondContact SG-CB 3.34Å; C270-C318 PolarHBondContact SG-N 3.37Å; C270-C318 CovalentContact SG-SG 2.03Å; C270-C318 PolarHBondContact SG-SG 3.34Å |
| 271 | G | 84.1 | Confident | 85.7 | Confident | 40 Ų | 40 | 48.4 Ų | 48.4 | 41% | 0.412 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.1 | -22.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P269 Y273 C274 | P269-G271 PolarHBondContact O-N 3.19Å; P269-G271 VanDerWaalsContact O-N 3.09Å; G271-Y273 VanDerWaalsContact C-N 3.25Å; G271-Y273 PolarHBondContact O-N 3.01Å; G271-C274 WeakPolarHBondContact O-CB 3.35Å; G271-C274 PolarHBondContact O-N 3.09Å; G271-C274 VanDerWaalsContact O-N 3.17Å |
| 272 | Q | 87.6 | Confident | 85.9 | Confident | 62 Ų | 62 | 49 Ų | 49 | 29% | 0.29 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.1 | -36.9 | 175.5 | -173.8 | 61.9 | 23 | 0 | 0 | 111.4 | I268 P269 C270 C274 L275 E276 | I268-Q272 HydrophobicContact CD1-CB 4.3Å; I268-Q272 HydrophobicContact CD1-CG 4.37Å; P269-Q272 HydrophobicContact CG-CB 4.22Å; P269-Q272 WeakPolarHBondContact O-CB 3.14Å; P269-Q272 PolarHBondContact O-N 3.39Å; C270-Q272 PolarHBondContact O-N 3.07Å; Q272-C274 PolarHBondContact O-N 3.18Å; Q272-L275 WeakPolarHBondContact O-CB 3.27Å; Q272-L275 PolarHBondContact O-N 3.17Å; Q272-E276 HydrophobicContact CG-CG 4.28Å; Q272-E276 PolarHBondContact NE2-OE1 3.27Å; Q272-E276 WeakPolarHBondContact O-CG 3.46Å; Q272-E276 PolarHBondContact O-N 3.33Å |
| 273 | Y | 88.7 | Confident | 86.4 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.6 | -36 | 178 | -79.2 | -62.3 | 0 | 0 | 0 | 112.9 | P250 I268 C270 G271 E276 V277 C318 C319 V321 | P250-Y273 HydrophobicContact CB-CD1 4.02Å; P250-Y273 HydrophobicContact CB-CE1 3.79Å; P250-Y273 HydrophobicContact CB-CE2 4.41Å; P250-Y273 HydrophobicContact CB-CG 4.46Å; P250-Y273 HydrophobicContact CG-CD1 4.3Å; P250-Y273 HydrophobicContact CG-CE1 4.04Å; I268-Y273 HydrophobicContact CD1-CD2 4.41Å; I268-Y273 HydrophobicContact CD1-CE1 4.15Å; I268-Y273 HydrophobicContact CD1-CE2 3.86Å; I268-Y273 HydrophobicContact CG1-CE2 4.2Å; C270-Y273 WeakPolarHBondContact O-CB 3.15Å; C270-Y273 PolarHBondContact O-N 2.99Å; C270-Y273 VanDerWaalsContact O-N 3.15Å; G271-Y273 VanDerWaalsContact C-N 3.25Å; G271-Y273 PolarHBondContact O-N 3.01Å; Y273-E276 PolarHBondContact O-N 3.15Å; Y273-V277 WeakPolarHBondContact O-CG2 3.37Å; Y273-V277 PolarHBondContact O-N 2.98Å; Y273-C318 HydrophobicContact CD2-CB 4.33Å; Y273-C318 HydrophobicContact CE2-CB 3.75Å; Y273-C319 PolarHBondContact OH-O 3.33Å; Y273-V321 HydrophobicContact CE1-CG2 3.82Å; Y273-V321 WeakPolarHBondContact OH-CG2 3.39Å; Y273-V321 PolarHBondContact OH-N 3.17Å |
| 274 | C | 90.9 | Very high | 87.1 | Confident | 18 Ų | 18 | 51.6 Ų | 51.6 | 12% | 0.122 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 176.4 | -166.4 | 0 | 0 | 0 | 0 | 110.8 | W251 G271 Q272 E276 V277 Q278 C301 | W251-C274 VanDerWaalsContact CD1-CA 3.49Å; G271-C274 WeakPolarHBondContact O-CB 3.35Å; G271-C274 PolarHBondContact O-N 3.09Å; G271-C274 VanDerWaalsContact O-N 3.17Å; Q272-C274 PolarHBondContact O-N 3.18Å; C274-E276 VanDerWaalsContact C-N 3.29Å; C274-E276 PolarHBondContact O-N 3.3Å; C274-V277 WeakPolarHBondContact O-CB 2.96Å; C274-V277 PolarHBondContact O-N 2.84Å; C274-V277 VanDerWaalsContact O-N 3.17Å; C274-Q278 PolarHBondContact O-N 2.98Å; C274-C301 WeakPolarHBondContact CA-SG 3.46Å; C274-C301 HydrophobicContact CB-CB 3.92Å; C274-C301 WeakPolarHBondContact CB-SG 3.35Å; C274-C301 PolarHBondContact O-SG 3.31Å; C274-C301 WeakPolarHBondContact SG-CA 3.47Å; C274-C301 WeakPolarHBondContact SG-CB 3.47Å; C274-C301 CovalentContact SG-SG 2.02Å; C274-C301 PolarHBondContact SG-SG 2.99Å |
| 275 | L | 89 | Confident | 87.5 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 34% | 0.335 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 179.2 | -59 | 178.3 | 0 | 0 | 0 | 111.5 | Q272 V277 Q278 Q279 C301 | Q272-L275 WeakPolarHBondContact O-CB 3.27Å; Q272-L275 PolarHBondContact O-N 3.17Å; L275-V277 VanDerWaalsContact C-N 3.33Å; L275-V277 PolarHBondContact O-N 3.34Å; L275-Q278 PolarHBondContact O-N 2.89Å; L275-Q279 WeakPolarHBondContact O-CG 2.99Å; L275-Q279 PolarHBondContact O-N 2.92Å; L275-C301 HydrophobicContact CD2-CB 4.11Å |
| 276 | E | 89.3 | Confident | 88 | Confident | 22 Ų | 22 | 52.8 Ų | 52.8 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 176.2 | -61.5 | -56.4 | 160.1 | 0 | 0 | 112.1 | V247 Q272 Y273 C274 Q279 R280 | V247-E276 HydrophobicContact CB-CB 4.26Å; V247-E276 HydrophobicContact CG1-CB 4.13Å; Q272-E276 HydrophobicContact CG-CG 4.28Å; Q272-E276 PolarHBondContact NE2-OE1 3.27Å; Q272-E276 WeakPolarHBondContact O-CG 3.46Å; Q272-E276 PolarHBondContact O-N 3.33Å; Y273-E276 PolarHBondContact O-N 3.15Å; C274-E276 VanDerWaalsContact C-N 3.29Å; C274-E276 PolarHBondContact O-N 3.3Å; E276-Q279 PolarHBondContact O-N 2.86Å; E276-R280 WeakPolarHBondContact O-CB 3.3Å; E276-R280 PolarHBondContact O-N 3.48Å; E276-R280 IonicContact OE2-CZ 3.45Å; E276-R280 IonicContact OE2-NH1 2.58Å; E276-R280 PolarHBondContact OE2-NH1 2.67Å; E276-R280 IonicContact OE2-NH2 3.53Å |
| 277 | V | 90.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 172.7 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | V247 Y248 W251 Y273 C274 L275 Q279 R280 C281 F299 | V247-V277 HydrophobicContact CB-CG2 4.23Å; V247-V277 HydrophobicContact CG2-CB 4.46Å; V247-V277 HydrophobicContact CG2-CG2 3.92Å; V247-V277 WeakPolarHBondContact O-CG2 3.5Å; Y248-V277 HydrophobicContact CD2-CG1 4.02Å; Y248-V277 HydrophobicContact CD2-CG2 4.42Å; W251-V277 HydrophobicContact CB-CG2 3.77Å; W251-V277 HydrophobicContact CG-CG2 4.07Å; Y273-V277 WeakPolarHBondContact O-CG2 3.37Å; Y273-V277 PolarHBondContact O-N 2.98Å; C274-V277 WeakPolarHBondContact O-CB 2.96Å; C274-V277 PolarHBondContact O-N 2.84Å; C274-V277 VanDerWaalsContact O-N 3.17Å; L275-V277 VanDerWaalsContact C-N 3.33Å; L275-V277 PolarHBondContact O-N 3.34Å; V277-Q279 PolarHBondContact O-N 2.02Å; V277-R280 PolarHBondContact O-N 3.31Å; V277-C281 HydrophobicContact CG1-CB 4.19Å; V277-C281 WeakPolarHBondContact O-CB 3.25Å; V277-C281 PolarHBondContact O-N 3.1Å; V277-F299 HydrophobicContact CB-CD1 4.29Å; V277-F299 HydrophobicContact CB-CE1 3.62Å; V277-F299 HydrophobicContact CB-CE2 4.41Å; V277-F299 HydrophobicContact CB-CZ 3.69Å; V277-F299 HydrophobicContact CG1-CD1 3.67Å; V277-F299 HydrophobicContact CG1-CD2 3.94Å; V277-F299 HydrophobicContact CG1-CE1 3.41Å; V277-F299 VanDerWaalsContact CG1-CE1 3.41Å; V277-F299 HydrophobicContact CG1-CE2 3.67Å; V277-F299 HydrophobicContact CG1-CG 3.93Å; V277-F299 HydrophobicContact CG1-CZ 3.42Å; V277-F299 VanDerWaalsContact CG1-CZ 3.42Å; V277-F299 HydrophobicContact CG2-CZ 4.25Å |
| 278 | Q | 89.5 | Confident | 88 | Confident | 76 Ų | 76 | 53 Ų | 53 | 36% | 0.355 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.4 | -34 | 177.3 | -75.2 | -173 | -49.4 | 0 | 0 | 113.3 | C274 L275 F299 C301 | C274-Q278 PolarHBondContact O-N 2.98Å; L275-Q278 PolarHBondContact O-N 2.89Å; Q278-F299 HydrophobicContact CG-CD1 3.7Å; Q278-F299 HydrophobicContact CG-CE1 3.95Å; Q278-C301 VanDerWaalsContact CG-SG 3.6Å; Q278-C301 VanDerWaalsContact NE2-N 3.13Å; Q278-C301 PolarHBondContact OE1-SG 3.09Å; Q278-C301 VanDerWaalsContact OE1-SG 3.42Å |
| 279 | Q | 87.3 | Confident | 87.9 | Confident | 143 Ų | 143 | 58.6 Ų | 58.6 | 67% | 0.668 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -83.1 | -33.6 | -177.9 | -70 | 178.3 | 18.5 | 0 | 0 | 113.4 | L275 E276 V277 | L275-Q279 WeakPolarHBondContact O-CG 2.99Å; L275-Q279 PolarHBondContact O-N 2.92Å; E276-Q279 PolarHBondContact O-N 2.86Å; V277-Q279 PolarHBondContact O-N 2.02Å |
| 280 | R | 87.9 | Confident | 87.6 | Confident | 63 Ų | 63 | 62.6 Ų | 62.6 | 24% | 0.238 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -101.8 | -20.3 | -174.4 | -67.2 | -163 | 178 | 73.4 | 9.1 | 114.8 | T239 V247 E276 V277 | T239-R280 WeakPolarHBondContact CG2-O 3.46Å; V247-R280 HydrophobicContact CG2-CB 4.05Å; E276-R280 WeakPolarHBondContact O-CB 3.3Å; E276-R280 PolarHBondContact O-N 3.48Å; E276-R280 IonicContact OE2-CZ 3.45Å; E276-R280 IonicContact OE2-NH1 2.58Å; E276-R280 PolarHBondContact OE2-NH1 2.67Å; E276-R280 IonicContact OE2-NH2 3.53Å; V277-R280 PolarHBondContact O-N 3.31Å |
| 281 | C | 90.3 | Very high | 87.4 | Confident | 25 Ų | 25 | 66.1 Ų | 66.1 | 17% | 0.169 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -89.1 | 151 | 178.9 | -68.4 | 0 | 0 | 0 | 0 | 112.1 | C244 V277 | C244-C281 VanDerWaalsContact CA-SG 3.51Å; C244-C281 HydrophobicContact CB-CB 3.97Å; C244-C281 WeakPolarHBondContact CB-SG 2.8Å; C244-C281 WeakPolarHBondContact SG-CA 2.99Å; C244-C281 WeakPolarHBondContact SG-CB 3.45Å; C244-C281 CovalentContact SG-SG 2.03Å; C244-C281 PolarHBondContact SG-SG 2.88Å; V277-C281 HydrophobicContact CG1-CB 4.19Å; V277-C281 WeakPolarHBondContact O-CB 3.25Å; V277-C281 PolarHBondContact O-N 3.1Å |
| 282 | P | 89.4 | Confident | 87.6 | Confident | 16 Ų | 16 | 71.3 Ų | 71.3 | 10% | 0.104 | 37% | 0.365 | C | S | . | . | trans | -67.9 | 158.8 | 179.2 | 29.5 | -36.5 | 0 | 0 | 0 | 111.3 | Y230 T239 M241 V284 | Y230-P282 HydrophobicContact CD1-CG 4.34Å; Y230-P282 HydrophobicContact CD2-CG 4.35Å; Y230-P282 HydrophobicContact CE1-CB 3.75Å; Y230-P282 HydrophobicContact CE1-CG 3.98Å; Y230-P282 HydrophobicContact CE2-CB 3.86Å; Y230-P282 HydrophobicContact CE2-CG 4.03Å; Y230-P282 VanDerWaalsContact OH-CB 3.27Å; Y230-P282 WeakPolarHBondContact OH-CB 3.31Å; T239-P282 HydrophobicContact CG2-CB 4.33Å; M241-P282 HydrophobicContact CE-CG 3.91Å; M241-P282 HydrophobicContact SD-CG 3.6Å; P282-V284 HydrophobicContact CG-CG2 4.42Å; P282-V284 PolarHBondContact O-N 3.31Å | ||
| 283 | F | 88.1 | Confident | 87.3 | Confident | 115 Ų | 115 | 71.2 Ų | 71.2 | 50% | 0.504 | 36% | 0.364 | S | S | . | . | trans | -68.4 | 114.2 | 167.1 | -176.1 | -83.1 | 0 | 0 | 0 | 109.2 | L285 G295 P297 | F283-L285 HydrophobicContact CE1-CB 4.1Å; F283-L285 HydrophobicContact CE1-CD1 3.92Å; F283-L285 HydrophobicContact CZ-CD1 4.09Å; F283-G295 WeakPolarHBondContact CZ-O 3.33Å; F283-P297 HydrophobicContact CD2-CB 3.65Å; F283-P297 HydrophobicContact CD2-CG 4.34Å; F283-P297 HydrophobicContact CE2-CB 3.49Å; F283-P297 VanDerWaalsContact CE2-CB 3.49Å; F283-P297 HydrophobicContact CE2-CG 4.02Å; F283-P297 HydrophobicContact CZ-CB 4.22Å | ||
| 284 | V | 88 | Confident | 87 | Confident | 38 Ų | 38 | 74.3 Ų | 74.3 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | trans | -106.9 | 130.1 | 171.3 | -178.3 | 0 | 0 | 0 | 0 | 107.4 | L226 P282 S298 | L226-V284 HydrophobicContact CD1-CG1 4.12Å; L226-V284 HydrophobicContact CD2-CG2 4.15Å; P282-V284 HydrophobicContact CG-CG2 4.42Å; P282-V284 PolarHBondContact O-N 3.31Å; V284-S298 PolarHBondContact O-N 2.88Å; V284-S298 PolarHBondContact O-OG 3.48Å | ||
| 285 | L | 87.6 | Confident | 86.7 | Confident | 98 Ų | 98 | 75.8 Ų | 75.8 | 51% | 0.513 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 125 | 177.4 | -169.9 | 71.4 | 0 | 0 | 0 | 109 | F283 | F283-L285 HydrophobicContact CE1-CB 4.1Å; F283-L285 HydrophobicContact CE1-CD1 3.92Å; F283-L285 HydrophobicContact CZ-CD1 4.09Å |
| 286 | P | 88.1 | Confident | 86.6 | Confident | 23 Ų | 23 | 75.7 Ų | 75.7 | 15% | 0.149 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 152.1 | 174.8 | 29.9 | -33.4 | 0 | 0 | 0 | 111.2 | H293 S296 S298 | P286-H293 HydrophobicContact CG-CB 3.7Å; P286-H293 VanDerWaalsContact CG-CG 3.43Å; P286-S296 VanDerWaalsContact CD-O 3.25Å; P286-S296 WeakPolarHBondContact CD-O 3.15Å; P286-S298 WeakPolarHBondContact CD-OG 3.23Å |
| 287 | D | 86.3 | Confident | 86.6 | Confident | 121 Ų | 121 | 76.9 Ų | 76.9 | 65% | 0.647 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 136.3 | 174.6 | -62 | -36.7 | 0 | 0 | 0 | 110.6 | H293 | D287-H293 PolarHBondContact O-CD2 3.34Å; D287-H293 PolarHBondContact O-NE2 3.06Å |
| 288 | N | 83.3 | Confident | 86.4 | Confident | 71 Ų | 71 | 79.8 Ų | 79.8 | 38% | 0.38 | 45% | 0.451 | S | S | . | . | trans | -96.4 | 15.9 | -176.5 | -66.3 | -77.5 | 0 | 0 | 0 | 113.6 | L291 H293 | N288-L291 VanDerWaalsContact CA-O 3.31Å; N288-L291 WeakPolarHBondContact CA-O 3.37Å; N288-H293 PolarHBondContact OD1-N 2.71Å | ||
| 289 | D | 84.1 | Confident | 86.5 | Confident | 148 Ų | 148 | 78.4 Ų | 78.4 | 79% | 0.791 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -65.5 | -43.1 | -172.1 | -68.2 | -18.5 | 0 | 0 | 0 | 112.3 | ||
| 290 | D | 81.8 | Confident | 86.5 | Confident | 159 Ų | 159 | 75.5 Ų | 75.5 | 85% | 0.85 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -100.8 | -22.5 | -177.6 | -64.8 | -37.1 | 0 | 0 | 0 | 113.3 | ||
| 291 | L | 83.8 | Confident | 86.3 | Confident | 79 Ų | 79 | 73.6 Ų | 73.6 | 41% | 0.414 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -152 | 134.9 | -175.6 | -177 | 63.7 | 0 | 0 | 0 | 110.7 | N288 H293 | N288-L291 VanDerWaalsContact CA-O 3.31Å; N288-L291 WeakPolarHBondContact CA-O 3.37Å; L291-H293 PolarHBondContact O-CD2 3.06Å; L291-H293 PolarHBondContact O-N 2.79Å |
| 292 | I | 86.9 | Confident | 85.7 | Confident | 149 Ų | 149 | 77 Ų | 77 | 76% | 0.764 | 45% | 0.452 | S | S | * | . | trans | -79.6 | 111.5 | 174.8 | -58.6 | 174 | 0 | 0 | 0 | 108.8 | ||||
| 293 | H | 81.8 | Confident | 84.3 | Confident | 59 Ų | 59 | 77.9 Ų | 77.9 | 27% | 0.273 | 46% | 0.464 | S | S | . | . | trans | -86.2 | -7.3 | -176.6 | -69.3 | -78.3 | 0 | 0 | 0 | 114.3 | P286 D287 N288 L291 G295 S296 | P286-H293 HydrophobicContact CG-CB 3.7Å; P286-H293 VanDerWaalsContact CG-CG 3.43Å; D287-H293 PolarHBondContact O-CD2 3.34Å; D287-H293 PolarHBondContact O-NE2 3.06Å; N288-H293 PolarHBondContact OD1-N 2.71Å; L291-H293 PolarHBondContact O-CD2 3.06Å; L291-H293 PolarHBondContact O-N 2.79Å; H293-G295 PolarHBondContact O-N 3.42Å; H293-G295 VanDerWaalsContact O-N 3.12Å; H293-S296 VanDerWaalsContact O-CB 3.23Å; H293-S296 WeakPolarHBondContact O-CB 3.33Å; H293-S296 PolarHBondContact O-N 2.94Å; H293-S296 PolarHBondContact O-OG 3.12Å | ||
| 294 | G | 83.8 | Confident | 82.2 | Confident | 71 Ų | 71 | 81.2 Ų | 81.2 | 73% | 0.732 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 28.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 295 | G | 84 | Confident | 80.1 | Confident | 49 Ų | 49 | 87.6 Ų | 87.6 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 11.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F283 H293 | F283-G295 WeakPolarHBondContact CZ-O 3.33Å; H293-G295 PolarHBondContact O-N 3.42Å; H293-G295 VanDerWaalsContact O-N 3.12Å |
| 296 | S | 86.1 | Confident | 78.2 | Confident | 62 Ų | 62 | 88.5 Ų | 88.5 | 43% | 0.434 | 52% | 0.52 | S | S | . | . | trans | -70.6 | 141.4 | 170.9 | -53.8 | 0 | 0 | 0 | 0 | 110.8 | P286 H293 | P286-S296 VanDerWaalsContact CD-O 3.25Å; P286-S296 WeakPolarHBondContact CD-O 3.15Å; H293-S296 VanDerWaalsContact O-CB 3.23Å; H293-S296 WeakPolarHBondContact O-CB 3.33Å; H293-S296 PolarHBondContact O-N 2.94Å; H293-S296 PolarHBondContact O-OG 3.12Å | ||
| 297 | P | 88.8 | Confident | 76 | Confident | 47 Ų | 47 | 94 Ų | 94 | 31% | 0.305 | 55% | 0.553 | S | S | . | * | trans | -68.7 | 158.7 | 176.5 | 25.8 | -28.7 | 0 | 0 | 0 | 111.5 | F283 F299 V300 | F283-P297 HydrophobicContact CD2-CB 3.65Å; F283-P297 HydrophobicContact CD2-CG 4.34Å; F283-P297 HydrophobicContact CE2-CB 3.49Å; F283-P297 VanDerWaalsContact CE2-CB 3.49Å; F283-P297 HydrophobicContact CE2-CG 4.02Å; F283-P297 HydrophobicContact CZ-CB 4.22Å; P297-F299 PolarHBondContact O-N 2.85Å; P297-V300 HydrophobicContact CG-CG2 3.71Å | ||
| 298 | S | 88.4 | Confident | 74 | Confident | 64 Ų | 64 | 95.1 Ų | 95.1 | 45% | 0.448 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -63.8 | -28.8 | 175 | -56 | 0 | 0 | 0 | 0 | 112.9 | V284 P286 | V284-S298 PolarHBondContact O-N 2.88Å; V284-S298 PolarHBondContact O-OG 3.48Å; P286-S298 WeakPolarHBondContact CD-OG 3.23Å |
| 299 | F | 90.1 | Very high | 72.2 | Confident | 47 Ų | 47 | 94.9 Ų | 94.9 | 21% | 0.206 | 55% | 0.551 | C | S | . | * | trans | -113.1 | 114.9 | -177.6 | -167.3 | -81.6 | 0 | 0 | 0 | 110.9 | Y248 W251 V277 Q278 P297 | Y248-F299 HydrophobicContact CE2-CD2 4.34Å; Y248-F299 HydrophobicContact CE2-CE2 4.13Å; W251-F299 AromaticContact CD2-CE2 3.81Å; W251-F299 HydrophobicContact CD2-CE2 3.81Å; W251-F299 AromaticContact CD2-CZ 3.74Å; W251-F299 HydrophobicContact CD2-CZ 3.74Å; W251-F299 AromaticContact CE2-CE2 3.59Å; W251-F299 AromaticContact CE2-CZ 3.43Å; W251-F299 VanDerWaalsContact CE2-CZ 3.43Å; W251-F299 AromaticContact CE3-CE2 3.82Å; W251-F299 HydrophobicContact CE3-CE2 3.82Å; W251-F299 HydrophobicContact CE3-CZ 4.22Å; W251-F299 HydrophobicContact CG-CZ 4.24Å; W251-F299 HydrophobicContact CH2-CD2 4.41Å; W251-F299 AromaticContact CH2-CE2 3.48Å; W251-F299 HydrophobicContact CH2-CE2 3.48Å; W251-F299 VanDerWaalsContact CH2-CE2 3.48Å; W251-F299 HydrophobicContact CH2-CZ 4.21Å; W251-F299 AromaticContact CZ2-CE2 3.42Å; W251-F299 HydrophobicContact CZ2-CE2 3.42Å; W251-F299 VanDerWaalsContact CZ2-CE2 3.42Å; W251-F299 AromaticContact CZ2-CZ 3.69Å; W251-F299 HydrophobicContact CZ2-CZ 3.69Å; W251-F299 AromaticContact CZ3-CE2 3.69Å; W251-F299 HydrophobicContact CZ3-CE2 3.69Å; W251-F299 HydrophobicContact CZ3-CZ 4.45Å; W251-F299 AromaticContact NE1-CZ 3.73Å; V277-F299 HydrophobicContact CB-CD1 4.29Å; V277-F299 HydrophobicContact CB-CE1 3.62Å; V277-F299 HydrophobicContact CB-CE2 4.41Å; V277-F299 HydrophobicContact CB-CZ 3.69Å; V277-F299 HydrophobicContact CG1-CD1 3.67Å; V277-F299 HydrophobicContact CG1-CD2 3.94Å; V277-F299 HydrophobicContact CG1-CE1 3.41Å; V277-F299 VanDerWaalsContact CG1-CE1 3.41Å; V277-F299 HydrophobicContact CG1-CE2 3.67Å; V277-F299 HydrophobicContact CG1-CG 3.93Å; V277-F299 HydrophobicContact CG1-CZ 3.42Å; V277-F299 VanDerWaalsContact CG1-CZ 3.42Å; V277-F299 HydrophobicContact CG2-CZ 4.25Å; Q278-F299 HydrophobicContact CG-CD1 3.7Å; Q278-F299 HydrophobicContact CG-CE1 3.95Å; P297-F299 PolarHBondContact O-N 2.85Å | ||
| 300 | V | 88.2 | Confident | 70.3 | Confident | 81 Ų | 81 | 89.6 Ų | 89.6 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | trans | -137.5 | 132.6 | 178.4 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | P297 T302 | P297-V300 HydrophobicContact CG-CG2 3.71Å; V300-T302 VanDerWaalsContact CG1-O 3.31Å; V300-T302 WeakPolarHBondContact CG1-O 3.31Å | ||
| 301 | C | 84 | Confident | 68.6 | Low | 23 Ų | 23 | 85.1 Ų | 85.1 | 16% | 0.155 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -87.1 | -34.1 | 179.3 | -62.2 | 0 | 0 | 0 | 0 | 114.3 | C274 L275 Q278 | C274-C301 WeakPolarHBondContact CA-SG 3.46Å; C274-C301 HydrophobicContact CB-CB 3.92Å; C274-C301 WeakPolarHBondContact CB-SG 3.35Å; C274-C301 PolarHBondContact O-SG 3.31Å; C274-C301 WeakPolarHBondContact SG-CA 3.47Å; C274-C301 WeakPolarHBondContact SG-CB 3.47Å; C274-C301 CovalentContact SG-SG 2.02Å; C274-C301 PolarHBondContact SG-SG 2.99Å; L275-C301 HydrophobicContact CD2-CB 4.11Å; Q278-C301 VanDerWaalsContact CG-SG 3.6Å; Q278-C301 VanDerWaalsContact NE2-N 3.13Å; Q278-C301 PolarHBondContact OE1-SG 3.09Å; Q278-C301 VanDerWaalsContact OE1-SG 3.42Å |
| 302 | T | 77.6 | Confident | 67.1 | Low | 97 Ų | 97 | 82 Ų | 82 | 60% | 0.595 | 50% | 0.501 | S | S | * | . | trans | -121.9 | 120.5 | -173.1 | -43.2 | 0 | 0 | 0 | 0 | 110 | V300 | V300-T302 VanDerWaalsContact CG1-O 3.31Å; V300-T302 WeakPolarHBondContact CG1-O 3.31Å | ||
| 303 | G | 59.2 | Low | 65.8 | Low | 35 Ų | 35 | 78.8 Ų | 78.8 | 36% | 0.361 | 49% | 0.486 | S | S | . | . | trans | -87.7 | 149.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L305 | G303-L305 PolarHBondContact O-N 2.85Š| ||
| 304 | L | 43.9 | Very low | 64.8 | Low | 185 Ų | 185 | 79.3 Ų | 79.3 | 97% | 0.969 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -5.4 | -175.2 | -91 | 159.3 | 0 | 0 | 0 | 116 | ||
| 305 | L | 45.4 | Very low | 63.9 | Low | 171 Ų | 171 | 81.8 Ų | 81.8 | 90% | 0.895 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -154 | 30.5 | -178.9 | -140.5 | 105.6 | 0 | 0 | 0 | 115.2 | G303 | G303-L305 PolarHBondContact O-N 2.85Š|
| 306 | E | 46 | Very low | 63.7 | Low | 117 Ų | 117 | 79.6 Ų | 79.6 | 55% | 0.547 | 47% | 0.468 | S | S | . | . | trans | -126.8 | 110.6 | 171.5 | -92.7 | 171.3 | 158 | 0 | 0 | 109.5 | Y308 P309 | E306-Y308 PolarHBondContact O-N 3.01Å; E306-P309 HydrophobicContact CB-CB 4.27Å; E306-P309 HydrophobicContact CB-CG 3.64Å; E306-P309 HydrophobicContact CG-CG 4.46Å; E306-P309 WeakPolarHBondContact OE2-CB 3.26Å; E306-P309 VanDerWaalsContact OE2-CG 3.26Å; E306-P309 WeakPolarHBondContact OE2-CG 3.09Å | ||
| 307 | V | 43.6 | Very low | 63.8 | Low | 140 Ų | 140 | 80.7 Ų | 80.7 | 85% | 0.848 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -62.8 | 86.9 | 153.7 | 177.8 | 0 | 0 | 0 | 0 | 105 | ||
| 308 | Y | 44.1 | Very low | 63.8 | Low | 144 Ų | 144 | 78.4 Ų | 78.4 | 57% | 0.565 | 45% | 0.452 | S | S | * | . | trans | 68.1 | 95.4 | -179.9 | -60.5 | -90.8 | 0 | 0 | 0 | 116.5 | E306 S310 P314 | E306-Y308 PolarHBondContact O-N 3.01Å; Y308-S310 VanDerWaalsContact C-N 3.29Å; Y308-S310 PolarHBondContact O-N 2.71Å; Y308-P314 HydrophobicContact CD2-CB 4.38Å; Y308-P314 HydrophobicContact CE1-CB 4.15Å; Y308-P314 HydrophobicContact CE2-CB 4.04Å | ||
| 309 | P | 43.9 | Very low | 63.7 | Low | 65 Ų | 65 | 75.8 Ų | 75.8 | 42% | 0.422 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -74 | -12.3 | 170 | -13.4 | 26.7 | 0 | 0 | 0 | 115.2 | E306 | E306-P309 HydrophobicContact CB-CB 4.27Å; E306-P309 HydrophobicContact CB-CG 3.64Å; E306-P309 HydrophobicContact CG-CG 4.46Å; E306-P309 WeakPolarHBondContact OE2-CB 3.26Å; E306-P309 VanDerWaalsContact OE2-CG 3.26Å; E306-P309 WeakPolarHBondContact OE2-CG 3.09Å |
| 310 | S | 45.5 | Very low | 63.5 | Low | 38 Ų | 38 | 74.5 Ų | 74.5 | 27% | 0.266 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -104.9 | 119.6 | -175.5 | 47.3 | 0 | 0 | 0 | 0 | 106.4 | Y308 V312 | Y308-S310 VanDerWaalsContact C-N 3.29Å; Y308-S310 PolarHBondContact O-N 2.71Å; S310-V312 PolarHBondContact O-N 2.88Å |
| 311 | G | 46.5 | Very low | 62.7 | Low | 65 Ų | 65 | 71 Ų | 71 | 67% | 0.67 | 41% | 0.407 | S | S | * | . | trans | -54.9 | 8.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q258 D313 | Q258-G311 PolarHBondContact OE1-O 2.84Å; G311-D313 PolarHBondContact O-N 3.25Å | ||
| 312 | V | 52.1 | Low | 62.1 | Low | 12 Ų | 12 | 75.6 Ų | 75.6 | 7% | 0.073 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -54.8 | 117.3 | 163.2 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | Q258 C270 S310 A316 | Q258-V312 HydrophobicContact CG-CG2 4.12Å; C270-V312 HydrophobicContact CB-CG1 4.32Å; S310-V312 PolarHBondContact O-N 2.88Å; V312-A316 HydrophobicContact CG1-CB 4.41Å |
| 313 | D | 58.6 | Low | 61.2 | Low | 82 Ų | 82 | 75 Ų | 75 | 44% | 0.439 | 41% | 0.408 | S | S | . | . | trans | -50.5 | 122.5 | 167.9 | 179.2 | -7.5 | 0 | 0 | 0 | 108.7 | G311 N315 A316 | G311-D313 PolarHBondContact O-N 3.25Å; D313-N315 PolarHBondContact O-N 3.42Å; D313-N315 WeakPolarHBondContact OD1-CB 3.46Å; D313-N315 PolarHBondContact OD1-N 3.49Å; D313-N315 PolarHBondContact OD1-ND2 2.75Å; D313-N315 VanDerWaalsContact OD1-ND2 3.09Å; D313-A316 HydrophobicContact CB-CB 4.26Å; D313-A316 VanDerWaalsContact O-CB 3.3Å; D313-A316 WeakPolarHBondContact O-CB 3.24Å; D313-A316 PolarHBondContact O-N 3.25Å | ||
| 314 | P | 60.5 | Low | 60.5 | Low | 70 Ų | 70 | 80.2 Ų | 80.2 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -14.1 | -179.9 | 24.5 | -35 | 0 | 0 | 0 | 113.2 | Y308 | Y308-P314 HydrophobicContact CD2-CB 4.38Å; Y308-P314 HydrophobicContact CE1-CB 4.15Å; Y308-P314 HydrophobicContact CE2-CB 4.04Å |
| 315 | N | 65.4 | Low | 60.5 | Low | 124 Ų | 124 | 73.8 Ų | 73.8 | 66% | 0.663 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 3.3 | 176.2 | -48.7 | -63.9 | 0 | 0 | 0 | 113.6 | D313 E317 | D313-N315 PolarHBondContact O-N 3.42Å; D313-N315 WeakPolarHBondContact OD1-CB 3.46Å; D313-N315 PolarHBondContact OD1-N 3.49Å; D313-N315 PolarHBondContact OD1-ND2 2.75Å; D313-N315 VanDerWaalsContact OD1-ND2 3.09Å; N315-E317 PolarHBondContact O-N 2.79Å |
| 316 | A | 79.8 | Confident | 60.2 | Low | 3 Ų | 3 | 75 Ų | 75 | 3% | 0.025 | 40% | 0.396 | C | S | . | . | trans | -66.3 | 121.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | C270 V312 D313 | C270-A316 PolarHBondContact N-O 3.49Å; C270-A316 PolarHBondContact SG-O 2.85Å; V312-A316 HydrophobicContact CG1-CB 4.41Å; D313-A316 HydrophobicContact CB-CB 4.26Å; D313-A316 VanDerWaalsContact O-CB 3.3Å; D313-A316 WeakPolarHBondContact O-CB 3.24Å; D313-A316 PolarHBondContact O-N 3.25Å | ||
| 317 | E | 87.7 | Confident | 59.7 | Low | 84 Ų | 84 | 74.4 Ų | 74.4 | 39% | 0.393 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.9 | 175.6 | -58.6 | -176 | 149.8 | 0 | 0 | 109.9 | T260 Q261 R267 C270 N315 | T260-E317 CarbonylContact C-O 3.55Å; T260-E317 WeakPolarHBondContact CA-O 3.27Å; T260-E317 HydrophobicContact CG2-CB 4.04Å; Q261-E317 PolarHBondContact N-O 3.22Å; R267-E317 HydrophobicContact CB-CB 4.22Å; R267-E317 WeakPolarHBondContact CD-OE2 3.45Å; R267-E317 IonicContact CZ-OE2 3.93Å; R267-E317 IonicContact NH1-OE2 2.65Å; R267-E317 PolarHBondContact NH1-OE2 2.81Å; C270-E317 VanDerWaalsContact SG-C 3.58Å; N315-E317 PolarHBondContact O-N 2.79Å |
| 318 | C | 88.8 | Confident | 59.3 | Low | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 152.7 | 174.5 | -75.4 | 0 | 0 | 0 | 0 | 109 | R267 I268 C270 Y273 D320 | R267-C318 CarbonylContact C-O 3.58Å; R267-C318 WeakPolarHBondContact CA-O 3.49Å; I268-C318 PolarHBondContact N-O 3.43Å; I268-C318 PolarHBondContact O-N 3.47Å; I268-C318 VanDerWaalsContact O-O 3.09Å; C270-C318 HydrophobicContact CB-CB 4.04Å; C270-C318 WeakPolarHBondContact CB-SG 3.45Å; C270-C318 WeakPolarHBondContact SG-CB 3.34Å; C270-C318 PolarHBondContact SG-N 3.37Å; C270-C318 CovalentContact SG-SG 2.03Å; C270-C318 PolarHBondContact SG-SG 3.34Å; Y273-C318 HydrophobicContact CD2-CB 4.33Å; Y273-C318 HydrophobicContact CE2-CB 3.75Å; C318-D320 PolarHBondContact O-N 3.41Å |
| 319 | C | 86.9 | Confident | 59 | Low | 8 Ų | 8 | 75.1 Ų | 75.1 | 5% | 0.054 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 139.2 | 173.8 | -58.5 | 0 | 0 | 0 | 0 | 110.1 | Q261 C264 N266 Y273 V321 | Q261-C319 VanDerWaalsContact CB-SG 3.51Å; Q261-C319 PolarHBondContact OE1-SG 3.2Å; C264-C319 HydrophobicContact CB-CB 3.55Å; C264-C319 WeakPolarHBondContact CB-SG 3.25Å; C264-C319 WeakPolarHBondContact SG-CA 2.97Å; C264-C319 WeakPolarHBondContact SG-CB 3.41Å; C264-C319 CovalentContact SG-SG 2.01Å; C264-C319 PolarHBondContact SG-SG 3.22Å; N266-C319 CarbonylContact O-C 3.59Å; N266-C319 WeakPolarHBondContact O-CA 3.42Å; Y273-C319 PolarHBondContact OH-O 3.33Å; C319-V321 HydrophobicContact CB-CG1 4.34Å; C319-V321 PolarHBondContact O-N 3.26Å |
| 320 | D | 85.2 | Confident | 58.9 | Low | 21 Ų | 21 | 83.1 Ų | 83.1 | 11% | 0.112 | 43% | 0.431 | C | S | . | . | trans | -73.8 | 92.9 | 172.8 | -169.5 | 5.7 | 0 | 0 | 0 | 108.6 | N266 I268 C318 R322 | N266-D320 HydrophobicContact CB-CB 3.92Å; N266-D320 PolarHBondContact O-N 3.2Å; I268-D320 HydrophobicContact CD1-CB 4.4Å; I268-D320 HydrophobicContact CG1-CB 4.33Å; I268-D320 HydrophobicContact CG2-CB 3.91Å; C318-D320 PolarHBondContact O-N 3.41Å; D320-R322 PolarHBondContact O-N 3.01Å; D320-R322 WeakPolarHBondContact OD1-CB 3.36Å; D320-R322 WeakPolarHBondContact OD1-CG 3.27Å; D320-R322 PolarHBondContact OD1-N 3.47Å; D320-R322 VanDerWaalsContact OD1-N 3.14Å; D320-R322 IonicContact OD2-CZ 3.88Å; D320-R322 IonicContact OD2-NE 3.94Å | ||
| 321 | V | 72.7 | Confident | 58.6 | Low | 7 Ų | 7 | 86.5 Ų | 86.5 | 4% | 0.042 | 45% | 0.454 | C | S | . | . | trans | -81 | 10.9 | 179.4 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | H125 P250 Y273 C319 W323 | H125-V321 WeakPolarHBondContact NE2-CB 3.48Å; H125-V321 WeakPolarHBondContact NE2-CG1 3.44Å; P250-V321 HydrophobicContact CB-CG2 3.59Å; P250-V321 HydrophobicContact CG-CG2 3.51Å; Y273-V321 HydrophobicContact CE1-CG2 3.82Å; Y273-V321 WeakPolarHBondContact OH-CG2 3.39Å; Y273-V321 PolarHBondContact OH-N 3.17Å; C319-V321 HydrophobicContact CB-CG1 4.34Å; C319-V321 PolarHBondContact O-N 3.26Å; V321-W323 HydrophobicContact CB-CH2 3.82Å; V321-W323 HydrophobicContact CB-CZ2 4.01Å; V321-W323 HydrophobicContact CB-CZ3 4.48Å; V321-W323 HydrophobicContact CG2-CH2 3.12Å; V321-W323 HydrophobicContact CG2-CZ2 3.64Å; V321-W323 HydrophobicContact CG2-CZ3 3.95Å; V321-W323 WeakPolarHBondContact O-CH2 3.32Å; V321-W323 VanDerWaalsContact O-CZ2 3.31Å; V321-W323 WeakPolarHBondContact O-CZ2 3.3Å; V321-W323 WeakPolarHBondContact O-CZ3 3.32Å; V321-W323 PolarHBondContact O-N 3.43Å | ||
| 322 | R | 70.3 | Confident | 58.4 | Low | 120 Ų | 120 | 96 Ų | 96 | 45% | 0.453 | 47% | 0.47 | S | S | . | . | trans | -50.7 | 105.7 | 174.8 | -96.7 | 169.9 | 37.6 | -158.8 | -23.7 | 111.6 | D320 D324 | D320-R322 PolarHBondContact O-N 3.01Å; D320-R322 WeakPolarHBondContact OD1-CB 3.36Å; D320-R322 WeakPolarHBondContact OD1-CG 3.27Å; D320-R322 PolarHBondContact OD1-N 3.47Å; D320-R322 VanDerWaalsContact OD1-N 3.14Å; D320-R322 IonicContact OD2-CZ 3.88Å; D320-R322 IonicContact OD2-NE 3.94Å; R322-D324 PolarHBondContact O-N 2.87Å | ||
| 323 | W | 60.2 | Low | 57.7 | Low | 85 Ų | 85 | 98.3 Ų | 98.3 | 32% | 0.322 | 50% | 0.496 | S | S | . | . | trans | -53.1 | 91.4 | 173.7 | -52.3 | -102.6 | 0 | 0 | 0 | 110.7 | M246 P250 V321 S325 | M246-W323 HydrophobicContact CB-CD2 3.99Å; M246-W323 HydrophobicContact CB-CE3 4.17Å; M246-W323 HydrophobicContact CB-CZ2 4.33Å; M246-W323 HydrophobicContact CE-CD2 4.27Å; M246-W323 HydrophobicContact CE-CG 3.68Å; M246-W323 HydrophobicContact CG-CD2 4.44Å; M246-W323 WeakPolarHBondContact O-CH2 3.32Å; M246-W323 WeakPolarHBondContact O-CZ2 3.42Å; M246-W323 HydrophobicContact SD-CD2 4.39Å; M246-W323 HydrophobicContact SD-CG 4.39Å; M246-W323 PolarHBondContact SD-NE1 3.46Å; M246-W323 VanDerWaalsContact SD-NE1 3.36Å; P250-W323 HydrophobicContact CG-CH2 3.43Å; P250-W323 VanDerWaalsContact CG-CH2 3.43Å; P250-W323 HydrophobicContact CG-CZ2 3.88Å; V321-W323 HydrophobicContact CB-CH2 3.82Å; V321-W323 HydrophobicContact CB-CZ2 4.01Å; V321-W323 HydrophobicContact CB-CZ3 4.48Å; V321-W323 HydrophobicContact CG2-CH2 3.12Å; V321-W323 HydrophobicContact CG2-CZ2 3.64Å; V321-W323 HydrophobicContact CG2-CZ3 3.95Å; V321-W323 WeakPolarHBondContact O-CH2 3.32Å; V321-W323 VanDerWaalsContact O-CZ2 3.31Å; V321-W323 WeakPolarHBondContact O-CZ2 3.3Å; V321-W323 WeakPolarHBondContact O-CZ3 3.32Å; V321-W323 PolarHBondContact O-N 3.43Å; W323-S325 PolarHBondContact O-N 2.93Å; W323-S325 PolarHBondContact O-OG 2.95Å | ||
| 324 | D | 44.2 | Very low | 56.8 | Low | 143 Ų | 143 | 101.6 Ų | 101.6 | 77% | 0.765 | 52% | 0.52 | S | S | * | . | trans | -64.4 | 82.8 | 148.4 | -86.9 | -12.7 | 0 | 0 | 0 | 106.6 | R322 K326 | R322-D324 PolarHBondContact O-N 2.87Å; D324-K326 PolarHBondContact O-N 3.43Å | ||
| 325 | S | 43 | Very low | 55.8 | Low | 50 Ų | 50 | 105.5 Ų | 105.5 | 35% | 0.35 | 54% | 0.536 | S | S | . | . | trans | -61.2 | 91.5 | 170 | -57 | 0 | 0 | 0 | 0 | 105.8 | W323 V327 H344 | W323-S325 PolarHBondContact O-N 2.93Å; W323-S325 PolarHBondContact O-OG 2.95Å; S325-V327 VanDerWaalsContact C-N 3.3Å; S325-V327 PolarHBondContact O-N 2.91Å; S325-H344 PolarHBondContact OG-CE1 3.49Å; S325-H344 VanDerWaalsContact OG-CE1 3.24Å; S325-H344 PolarHBondContact OG-NE2 2.81Å | ||
| 326 | K | 39.4 | Very low | 54.6 | Low | 197 Ų | 197 | 109.6 Ų | 109.6 | 86% | 0.857 | 55% | 0.548 | S | S | * | . | trans | -56.8 | 106.2 | 163.7 | -100.8 | -174 | 178 | 174.2 | 0 | 105.3 | D324 D328 | D324-K326 PolarHBondContact O-N 3.43Å; K326-D328 PolarHBondContact O-N 3.5Å | ||
| 327 | V | 36.3 | Very low | 52.5 | Low | 104 Ų | 104 | 120 Ų | 120 | 63% | 0.63 | 59% | 0.586 | S | S | * | * | trans | -57.5 | 104.8 | 170 | 176.6 | 0 | 0 | 0 | 0 | 105.9 | S325 N329 | S325-V327 VanDerWaalsContact C-N 3.3Å; S325-V327 PolarHBondContact O-N 2.91Å; V327-N329 VanDerWaalsContact C-N 3.31Å; V327-N329 PolarHBondContact O-N 3.34Å | ||
| 328 | D | 33.7 | Very low | 50.2 | Low | 143 Ų | 143 | 122.4 Ų | 122.4 | 77% | 0.765 | 61% | 0.607 | S | S | * | * | trans | -59.3 | 101.6 | 167.3 | -95.9 | -27.5 | 0 | 0 | 0 | 107.1 | K326 R330 | K326-D328 PolarHBondContact O-N 3.5Å; D328-R330 PolarHBondContact O-N 2.9Å | ||
| 329 | N | 37.7 | Very low | 48 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 83% | 0.834 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 32.7 | 179.8 | -84.6 | -39.1 | 0 | 0 | 0 | 112.5 | V327 | V327-N329 VanDerWaalsContact C-N 3.31Å; V327-N329 PolarHBondContact O-N 3.34Å |
| 330 | R | 42 | Very low | 46 | Very low | 234 Ų | 234 | 133.2 Ų | 133.2 | 88% | 0.883 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | 13.9 | -166.5 | -116.8 | -176.8 | -175.6 | -165.6 | 1.2 | 118.5 | D328 | D328-R330 PolarHBondContact O-N 2.9Š|
| 331 | S | 40.5 | Very low | 44.2 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 76% | 0.755 | 69% | 0.691 | S | S | * | * | trans | -129.1 | 73.8 | 172.6 | 40.5 | 0 | 0 | 0 | 0 | 113 | G333 | S331-G333 PolarHBondContact O-N 3.11Š| ||
| 332 | R | 41.8 | Very low | 43.3 | Very low | 265 Ų | 265 | 139.7 Ų | 139.7 | 100% | 1 | 71% | 0.708 | S | S | * | * | trans | -70.4 | 74.4 | 146.6 | -93.4 | -174 | 169.4 | -149.4 | 0 | 108 | ||||
| 333 | G | 37.2 | Very low | 42.3 | Very low | 61 Ų | 61 | 141.9 Ų | 141.9 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | trans | -116.1 | 114.1 | 173 | 0 | 0 | 0 | 0 | 0 | 109.3 | S331 L335 | S331-G333 PolarHBondContact O-N 3.11Å; G333-L335 PolarHBondContact O-N 3.33Å | ||
| 334 | T | 40.3 | Very low | 41.6 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 93% | 0.926 | 73% | 0.73 | S | S | * | * | trans | -69.4 | 91 | -180 | -38 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 335 | L | 39.8 | Very low | 41.4 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | -126.9 | 118.4 | 165.2 | -154.5 | 83.3 | 0 | 0 | 0 | 108.9 | G333 R337 | G333-L335 PolarHBondContact O-N 3.33Å; L335-R337 PolarHBondContact O-N 3.43Å | ||
| 336 | K | 39.6 | Very low | 41.1 | Very low | 210 Ų | 210 | 148.3 Ų | 148.3 | 91% | 0.913 | 75% | 0.745 | S | S | * | * | trans | -53.9 | 101.6 | 168.5 | -102.4 | 177.6 | 170.2 | 179.3 | 0 | 108.2 | ||||
| 337 | R | 35.9 | Very low | 40.9 | Very low | 222 Ų | 222 | 141.7 Ų | 141.7 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | trans | -101.2 | 119.2 | 171.2 | -146.3 | 175.8 | -166.8 | 138.9 | -0.7 | 107.3 | L335 H339 | L335-R337 PolarHBondContact O-N 3.43Å; R337-H339 PolarHBondContact O-N 2.97Å | ||
| 338 | T | 39.7 | Very low | 40.8 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -75.2 | 6.3 | -176.6 | -37.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 339 | H | 40.8 | Very low | 40.5 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 68% | 0.676 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -121.8 | 133.7 | 177.6 | -61.7 | -73.6 | 0 | 0 | 0 | 110.4 | R337 | R337-H339 PolarHBondContact O-N 2.97Š|
| 340 | P | 45.2 | Very low | 40.4 | Very low | 89 Ų | 89 | 140.7 Ų | 140.7 | 58% | 0.578 | 73% | 0.731 | S | S | * | * | trans | -59.5 | 135.4 | 175.2 | -14.5 | 26.7 | 0 | 0 | 0 | 109.4 | C342 | P340-C342 PolarHBondContact O-N 3.48Š| ||
| 341 | P | 48.3 | Very low | 40 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 69% | 0.688 | 72% | 0.716 | S | S | * | * | trans | -64.6 | 135.3 | 174.8 | 26.6 | -31.6 | 0 | 0 | 0 | 109.2 | Q343 | P341-Q343 VanDerWaalsContact C-N 3.34Å; P341-Q343 PolarHBondContact O-N 2.93Å | ||
| 342 | C | 54.5 | Low | 39.7 | Very low | 58 Ų | 58 | 132.6 Ų | 132.6 | 39% | 0.392 | 72% | 0.716 | S | S | . | * | trans | -58.7 | 101.5 | 161.6 | -61.5 | 0 | 0 | 0 | 0 | 107.5 | C240 P340 H344 | C240-C342 HydrophobicContact CB-CB 3.8Å; C240-C342 WeakPolarHBondContact CB-SG 3.31Å; C240-C342 WeakPolarHBondContact SG-CB 3.3Å; C240-C342 CovalentContact SG-SG 2.03Å; C240-C342 PolarHBondContact SG-SG 3.3Å; P340-C342 PolarHBondContact O-N 3.48Å; C342-H344 PolarHBondContact O-N 2.95Å | ||
| 343 | Q | 49.3 | Very low | 39.4 | Very low | 167 Ų | 167 | 124 Ų | 124 | 78% | 0.78 | 70% | 0.702 | S | S | * | * | trans | -76.6 | 111.1 | 167.9 | -72.3 | -175 | -22.8 | 0 | 0 | 106 | P341 R345 | P341-Q343 VanDerWaalsContact C-N 3.34Å; P341-Q343 PolarHBondContact O-N 2.93Å; Q343-R345 PolarHBondContact O-N 2.99Å | ||
| 344 | H | 44.3 | Very low | 39.3 | Very low | 101 Ų | 101 | 125 Ų | 125 | 47% | 0.468 | 70% | 0.698 | S | S | . | * | trans | -45.7 | 106.4 | 171.5 | -72.3 | -71.7 | 0 | 0 | 0 | 108.8 | E243 S325 C342 T346 | E243-H344 IonicContact OE1-ND1 3.82Å; S325-H344 PolarHBondContact OG-CE1 3.49Å; S325-H344 VanDerWaalsContact OG-CE1 3.24Å; S325-H344 PolarHBondContact OG-NE2 2.81Å; C342-H344 PolarHBondContact O-N 2.95Å; H344-T346 PolarHBondContact O-N 3.5Å | ||
| 345 | R | 39.4 | Very low | 39.7 | Very low | 209 Ų | 209 | 129.6 Ų | 129.6 | 79% | 0.789 | 70% | 0.698 | S | S | * | * | trans | -80.6 | 78.5 | 167.2 | -132.2 | -176.2 | -176.8 | -165.8 | 0.8 | 104.5 | Q343 S347 | Q343-R345 PolarHBondContact O-N 2.99Å; R345-S347 PolarHBondContact O-N 3.16Å | ||
| 346 | T | 37.7 | Very low | 40.1 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 63% | 0.632 | 68% | 0.683 | S | S | * | * | trans | -47 | 121.4 | 167.1 | 47.7 | 0 | 0 | 0 | 0 | 106.7 | H344 L348 | H344-T346 PolarHBondContact O-N 3.5Å; T346-L348 PolarHBondContact O-N 3.32Å | ||
| 347 | S | 35.5 | Very low | 40.4 | Very low | 58 Ų | 58 | 121 Ų | 121 | 41% | 0.406 | 67% | 0.668 | S | S | . | * | trans | 10.1 | 107.8 | 155.7 | 27.3 | 0 | 0 | 0 | 0 | 113.2 | R345 S349 | R345-S347 PolarHBondContact O-N 3.16Å; S347-S349 PolarHBondContact O-N 2.83Å | ||
| 348 | L | 33.6 | Very low | 40.9 | Very low | 159 Ų | 159 | 116.1 Ų | 116.1 | 83% | 0.832 | 66% | 0.659 | S | S | * | * | trans | -57.3 | 89.7 | 153.5 | -83.6 | 145.3 | 0 | 0 | 0 | 106.1 | T346 S350 | T346-L348 PolarHBondContact O-N 3.32Å; L348-S350 PolarHBondContact O-N 3.45Å | ||
| 349 | S | 27.6 | Very low | 41.6 | Very low | 91 Ų | 91 | 113.3 Ų | 113.3 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | trans | -54.6 | 113.4 | 158.1 | -151.8 | 0 | 0 | 0 | 0 | 104.2 | S347 S351 | S347-S349 PolarHBondContact O-N 2.83Å; S349-S351 PolarHBondContact O-N 3.29Å | ||
| 350 | S | 35.8 | Very low | 42.6 | Very low | 132 Ų | 132 | 113.9 Ų | 113.9 | 92% | 0.923 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -67.1 | 70.6 | 168.5 | -168.2 | 0 | 0 | 0 | 0 | 107.8 | L348 | L348-S350 PolarHBondContact O-N 3.45Š|
| 351 | S | 33.2 | Very low | 43.3 | Very low | 81 Ų | 81 | 114.6 Ų | 114.6 | 57% | 0.566 | 64% | 0.64 | S | S | * | * | trans | -135.3 | 67.5 | 166 | 58.7 | 0 | 0 | 0 | 0 | 105.7 | S349 A353 | S349-S351 PolarHBondContact O-N 3.29Å; S351-A353 PolarHBondContact O-N 3.36Å | ||
| 352 | A | 34.6 | Very low | 43.8 | Very low | 91 Ų | 91 | 116.2 Ų | 116.2 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | trans | -62.3 | 71.8 | 146.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | C354 | A352-C354 PolarHBondContact O-N 2.86Š| ||
| 353 | A | 35 | Very low | 44.4 | Very low | 84 Ų | 84 | 119.2 Ų | 119.2 | 69% | 0.694 | 65% | 0.647 | S | S | * | * | trans | -68.2 | 76.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 105.4 | S351 R355 | S351-A353 PolarHBondContact O-N 3.36Å; A353-R355 VanDerWaalsContact C-N 3.31Å; A353-R355 PolarHBondContact O-N 3Å | ||
| 354 | C | 35.5 | Very low | 45.1 | Very low | 81 Ų | 81 | 114.8 Ų | 114.8 | 55% | 0.547 | 63% | 0.634 | S | S | . | * | trans | -53.7 | 100.7 | 166.1 | -79.3 | 0 | 0 | 0 | 0 | 106.5 | A352 L356 C357 | A352-C354 PolarHBondContact O-N 2.86Å; C354-L356 PolarHBondContact O-N 2.95Å; C354-C357 PolarHBondContact O-SG 3.39Å | ||
| 355 | R | 48.4 | Very low | 46.2 | Very low | 249 Ų | 249 | 114.5 Ų | 114.5 | 94% | 0.94 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 48.5 | 162.8 | -67.3 | -168.5 | -177.1 | -144.3 | 3.2 | 110.2 | A353 | A353-R355 VanDerWaalsContact C-N 3.31Å; A353-R355 PolarHBondContact O-N 3Å |
| 356 | L | 48.3 | Very low | 47.7 | Very low | 89 Ų | 89 | 109.5 Ų | 109.5 | 47% | 0.466 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -143 | 23.1 | 177.5 | -129.2 | 93.2 | 0 | 0 | 0 | 111.7 | C354 N358 R360 | C354-L356 PolarHBondContact O-N 2.95Å; L356-N358 VanDerWaalsContact C-N 3.29Å; L356-N358 PolarHBondContact O-N 3.36Å; L356-R360 HydrophobicContact CD2-CG 4.21Å |
| 357 | C | 45.3 | Very low | 49.6 | Very low | 90 Ų | 90 | 107.8 Ų | 107.8 | 61% | 0.608 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 3.8 | -175.2 | -67.6 | 0 | 0 | 0 | 0 | 115.1 | C354 L361 | C354-C357 PolarHBondContact O-SG 3.39Å; C357-L361 WeakPolarHBondContact O-CB 3.31Å |
| 358 | N | 47.5 | Very low | 51.3 | Low | 121 Ų | 121 | 109.4 Ų | 109.4 | 65% | 0.647 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -28.5 | -178.3 | -134.6 | -13.7 | 0 | 0 | 0 | 114 | L356 K362 | L356-N358 VanDerWaalsContact C-N 3.29Å; L356-N358 PolarHBondContact O-N 3.36Å; N358-K362 WeakPolarHBondContact O-CD 3.42Å; N358-K362 VanDerWaalsContact O-CG 3.27Å; N358-K362 WeakPolarHBondContact O-CG 3.25Å |
| 359 | S | 54.9 | Low | 53.2 | Low | 74 Ų | 74 | 106.1 Ų | 106.1 | 52% | 0.517 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -85.9 | -38.4 | 175.2 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | K362 L363 | S359-K362 PolarHBondContact O-N 2.88Å; S359-L363 PolarHBondContact O-N 3.44Å |
| 360 | R | 60.7 | Low | 55.3 | Low | 158 Ų | 158 | 106.3 Ų | 106.3 | 60% | 0.596 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.2 | -35.7 | -179.5 | -63.6 | -162.3 | 176.8 | -147.2 | -0.6 | 112.7 | L356 L363 C364 | L356-R360 HydrophobicContact CD2-CG 4.21Å; R360-L363 PolarHBondContact O-N 2.88Å; R360-C364 WeakPolarHBondContact O-CB 3.48Å; R360-C364 PolarHBondContact O-N 2.92Å; R360-C364 PolarHBondContact O-SG 3.5Å |
| 361 | L | 60.9 | Low | 57.3 | Low | 105 Ų | 105 | 105.8 Ų | 105.8 | 55% | 0.55 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.9 | -36.1 | 176.4 | -158.5 | 137 | 0 | 0 | 0 | 111.7 | C357 L365 | C357-L361 WeakPolarHBondContact O-CB 3.31Å; L361-L365 HydrophobicContact CD2-CD1 3.66Å; L361-L365 HydrophobicContact CD2-CG 4.26Å; L361-L365 WeakPolarHBondContact O-CB 3.37Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.5Å; L361-L365 PolarHBondContact O-N 2.98Å |
| 362 | K | 57.8 | Low | 58.9 | Low | 139 Ų | 139 | 108 Ų | 108 | 60% | 0.604 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.3 | -41.3 | 172.1 | -75.7 | -178.8 | 179.7 | -176.9 | 0 | 112.4 | N358 S359 L365 L366 | N358-K362 WeakPolarHBondContact O-CD 3.42Å; N358-K362 VanDerWaalsContact O-CG 3.27Å; N358-K362 WeakPolarHBondContact O-CG 3.25Å; S359-K362 PolarHBondContact O-N 2.88Å; K362-L365 PolarHBondContact O-N 3.3Å; K362-L366 VanDerWaalsContact O-CB 3.32Å; K362-L366 WeakPolarHBondContact O-CB 3.29Å; K362-L366 PolarHBondContact O-N 2.95Å |
| 363 | L | 68.1 | Low | 60.6 | Low | 121 Ų | 121 | 106.9 Ų | 106.9 | 63% | 0.634 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.6 | -45.1 | 175.8 | -163.2 | 84.4 | 0 | 0 | 0 | 111.1 | S359 R360 L366 V367 | S359-L363 PolarHBondContact O-N 3.44Å; R360-L363 PolarHBondContact O-N 2.88Å; L363-L366 PolarHBondContact O-N 2.87Å; L363-V367 WeakPolarHBondContact O-CG2 3.33Å; L363-V367 PolarHBondContact O-N 3.24Å |
| 364 | C | 63.1 | Low | 62.4 | Low | 74 Ų | 74 | 107.2 Ų | 107.2 | 50% | 0.5 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.5 | -42.2 | 176.2 | -76.4 | 0 | 0 | 0 | 0 | 112.7 | R360 V367 L368 | R360-C364 WeakPolarHBondContact O-CB 3.48Å; R360-C364 PolarHBondContact O-N 2.92Å; R360-C364 PolarHBondContact O-SG 3.5Å; C364-V367 PolarHBondContact O-N 3.39Å; C364-L368 WeakPolarHBondContact O-CB 3.47Å; C364-L368 WeakPolarHBondContact O-CG 3.45Å; C364-L368 PolarHBondContact O-N 3.34Å |
| 365 | L | 67.5 | Low | 63.9 | Low | 95 Ų | 95 | 105.9 Ų | 105.9 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.1 | -39.4 | 175.7 | -74.6 | 173.3 | 0 | 0 | 0 | 111.9 | L361 K362 L368 V369 | L361-L365 HydrophobicContact CD2-CD1 3.66Å; L361-L365 HydrophobicContact CD2-CG 4.26Å; L361-L365 WeakPolarHBondContact O-CB 3.37Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.5Å; L361-L365 PolarHBondContact O-N 2.98Å; K362-L365 PolarHBondContact O-N 3.3Å; L365-L368 PolarHBondContact O-N 2.84Å; L365-V369 VanDerWaalsContact O-CG2 3.29Å; L365-V369 WeakPolarHBondContact O-CG2 3.41Å; L365-V369 PolarHBondContact O-N 3.26Å |
| 366 | L | 70 | Confident | 64.6 | Low | 105 Ų | 105 | 97.6 Ų | 97.6 | 55% | 0.55 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 178.2 | -154.1 | 165.6 | 0 | 0 | 0 | 110.7 | K362 L363 L368 V369 L370 | K362-L366 VanDerWaalsContact O-CB 3.32Å; K362-L366 WeakPolarHBondContact O-CB 3.29Å; K362-L366 PolarHBondContact O-N 2.95Å; L363-L366 PolarHBondContact O-N 2.87Å; L366-L368 PolarHBondContact O-N 3.46Å; L366-V369 PolarHBondContact O-N 3.45Å; L366-L370 HydrophobicContact CD2-CD1 3.49Å; L366-L370 VanDerWaalsContact CD2-CD1 3.49Å; L366-L370 HydrophobicContact CD2-CG 3.97Å; L366-L370 WeakPolarHBondContact O-CB 3.3Å; L366-L370 WeakPolarHBondContact O-CG 3.36Å; L366-L370 PolarHBondContact O-N 3.45Å |
| 367 | V | 78.6 | Confident | 65.1 | Low | 67 Ų | 67 | 98.3 Ų | 98.3 | 41% | 0.406 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 173.9 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | L363 C364 L370 L371 | L363-V367 WeakPolarHBondContact O-CG2 3.33Å; L363-V367 PolarHBondContact O-N 3.24Å; C364-V367 PolarHBondContact O-N 3.39Å; V367-L370 PolarHBondContact O-N 3.34Å; V367-L371 WeakPolarHBondContact O-CB 3.31Å; V367-L371 PolarHBondContact O-N 3.3Å |
| 368 | L | 71.6 | Confident | 65.8 | Low | 92 Ų | 92 | 97.9 Ų | 97.9 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 176.5 | -75.9 | 169.2 | 0 | 0 | 0 | 112.4 | C364 L365 L366 L371 H372 | C364-L368 WeakPolarHBondContact O-CB 3.47Å; C364-L368 WeakPolarHBondContact O-CG 3.45Å; C364-L368 PolarHBondContact O-N 3.34Å; L365-L368 PolarHBondContact O-N 2.84Å; L366-L368 PolarHBondContact O-N 3.46Å; L368-L371 PolarHBondContact O-N 3.28Å; L368-H372 WeakPolarHBondContact O-CB 3.35Å; L368-H372 PolarHBondContact O-CD2 2.84Å; L368-H372 VanDerWaalsContact O-CD2 3.28Å; L368-H372 PolarHBondContact O-N 2.75Å |
| 369 | V | 72.1 | Confident | 66.1 | Low | 89 Ų | 89 | 95.1 Ų | 95.1 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 175.3 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | L365 L366 L371 H372 T373 | L365-V369 VanDerWaalsContact O-CG2 3.29Å; L365-V369 WeakPolarHBondContact O-CG2 3.41Å; L365-V369 PolarHBondContact O-N 3.26Å; L366-V369 PolarHBondContact O-N 3.45Å; V369-L371 VanDerWaalsContact C-N 3.33Å; V369-L371 PolarHBondContact O-N 3.45Å; V369-H372 PolarHBondContact O-N 2.88Å; V369-T373 HydrophobicContact CG1-CG2 4.38Å; V369-T373 VanDerWaalsContact O-CG2 3.31Å; V369-T373 WeakPolarHBondContact O-CG2 3.36Å; V369-T373 PolarHBondContact O-N 3.44Å; V369-T373 PolarHBondContact O-OG1 2.93Å |
| 370 | L | 72.9 | Confident | 66 | Low | 96 Ų | 96 | 94.7 Ų | 94.7 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 175.7 | -73.5 | 171 | 0 | 0 | 0 | 111.4 | L366 V367 H372 T373 V374 | L366-L370 HydrophobicContact CD2-CD1 3.49Å; L366-L370 VanDerWaalsContact CD2-CD1 3.49Å; L366-L370 HydrophobicContact CD2-CG 3.97Å; L366-L370 WeakPolarHBondContact O-CB 3.3Å; L366-L370 WeakPolarHBondContact O-CG 3.36Å; L366-L370 PolarHBondContact O-N 3.45Å; V367-L370 PolarHBondContact O-N 3.34Å; L370-H372 VanDerWaalsContact C-N 3.35Å; L370-H372 PolarHBondContact O-N 2.97Å; L370-T373 WeakPolarHBondContact CA-OG1 3.44Å; L370-T373 PolarHBondContact O-N 2.97Å; L370-T373 PolarHBondContact O-OG1 3.47Å; L370-V374 WeakPolarHBondContact O-CG2 3.33Å; L370-V374 PolarHBondContact O-N 3.26Å |
| 371 | L | 77 | Confident | 65.5 | Low | 120 Ų | 120 | 93.8 Ų | 93.8 | 63% | 0.628 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.9 | -43.1 | 176.8 | -143.6 | 93.7 | 0 | 0 | 0 | 111.8 | V367 L368 V369 V374 A375 | V367-L371 WeakPolarHBondContact O-CB 3.31Å; V367-L371 PolarHBondContact O-N 3.3Å; L368-L371 PolarHBondContact O-N 3.28Å; V369-L371 VanDerWaalsContact C-N 3.33Å; V369-L371 PolarHBondContact O-N 3.45Å; L371-V374 PolarHBondContact O-N 3.3Å; L371-A375 WeakPolarHBondContact O-CB 3.34Å; L371-A375 PolarHBondContact O-N 3.36Å |
| 372 | H | 66.9 | Low | 65 | Low | 129 Ų | 129 | 96 Ų | 96 | 60% | 0.597 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.7 | -42.5 | 175.2 | -89.9 | -70.4 | 0 | 0 | 0 | 112 | L368 V369 L370 V374 A375 S376 | L368-H372 WeakPolarHBondContact O-CB 3.35Å; L368-H372 PolarHBondContact O-CD2 2.84Å; L368-H372 VanDerWaalsContact O-CD2 3.28Å; L368-H372 PolarHBondContact O-N 2.75Å; V369-H372 PolarHBondContact O-N 2.88Å; L370-H372 VanDerWaalsContact C-N 3.35Å; L370-H372 PolarHBondContact O-N 2.97Å; H372-V374 PolarHBondContact O-N 2.87Å; H372-A375 PolarHBondContact O-N 3.38Å; H372-S376 WeakPolarHBondContact O-CB 3.49Å; H372-S376 PolarHBondContact O-N 2.9Å; H372-S376 PolarHBondContact O-OG 3.45Å; H372-S376 VanDerWaalsContact O-OG 3.13Å |
| 373 | T | 70.7 | Confident | 64.4 | Low | 66 Ų | 66 | 93.2 Ų | 93.2 | 41% | 0.405 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 177.7 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | V369 L370 S376 L377 | V369-T373 HydrophobicContact CG1-CG2 4.38Å; V369-T373 VanDerWaalsContact O-CG2 3.31Å; V369-T373 WeakPolarHBondContact O-CG2 3.36Å; V369-T373 PolarHBondContact O-N 3.44Å; V369-T373 PolarHBondContact O-OG1 2.93Å; L370-T373 WeakPolarHBondContact CA-OG1 3.44Å; L370-T373 PolarHBondContact O-N 2.97Å; L370-T373 PolarHBondContact O-OG1 3.47Å; T373-S376 PolarHBondContact O-N 3.48Å; T373-L377 VanDerWaalsContact O-CD1 3.25Å; T373-L377 WeakPolarHBondContact O-CD1 3.25Å; T373-L377 PolarHBondContact O-N 2.94Å |
| 374 | V | 71.8 | Confident | 63.3 | Low | 92 Ų | 92 | 93.3 Ų | 93.3 | 56% | 0.558 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.9 | -43.9 | 175.8 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | L370 L371 H372 S376 L377 T378 | L370-V374 WeakPolarHBondContact O-CG2 3.33Å; L370-V374 PolarHBondContact O-N 3.26Å; L371-V374 PolarHBondContact O-N 3.3Å; H372-V374 PolarHBondContact O-N 2.87Å; V374-S376 PolarHBondContact O-N 3.33Å; V374-L377 PolarHBondContact O-N 3.13Å; V374-T378 HydrophobicContact CG1-CG2 4.44Å; V374-T378 WeakPolarHBondContact O-CB 3.4Å; V374-T378 WeakPolarHBondContact O-CG2 3.33Å; V374-T378 PolarHBondContact O-N 2.81Å; V374-T378 PolarHBondContact O-OG1 2.93Å |
| 375 | A | 67.4 | Low | 62.2 | Low | 52 Ų | 52 | 92.7 Ų | 92.7 | 43% | 0.43 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L371 H372 T378 A379 | L371-A375 WeakPolarHBondContact O-CB 3.34Å; L371-A375 PolarHBondContact O-N 3.36Å; H372-A375 PolarHBondContact O-N 3.38Å; A375-T378 WeakPolarHBondContact CA-OG1 3.22Å; A375-T378 PolarHBondContact O-N 3.39Å; A375-T378 PolarHBondContact O-OG1 3.34Å; A375-A379 WeakPolarHBondContact O-CB 3.42Å; A375-A379 PolarHBondContact O-N 3.4Å |
| 376 | S | 63.8 | Low | 60.6 | Low | 75 Ų | 75 | 97.1 Ų | 97.1 | 52% | 0.524 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.1 | -39.9 | 177.5 | -66.6 | 0 | 0 | 0 | 0 | 113.1 | H372 T373 V374 A379 S380 | H372-S376 WeakPolarHBondContact O-CB 3.49Å; H372-S376 PolarHBondContact O-N 2.9Å; H372-S376 PolarHBondContact O-OG 3.45Å; H372-S376 VanDerWaalsContact O-OG 3.13Å; T373-S376 PolarHBondContact O-N 3.48Å; V374-S376 PolarHBondContact O-N 3.33Å; S376-A379 PolarHBondContact O-N 2.95Å; S376-S380 PolarHBondContact O-N 3.3Å; S376-S380 PolarHBondContact O-OG 2.98Å |
| 377 | L | 59.1 | Low | 58.6 | Low | 104 Ų | 104 | 95.6 Ų | 95.6 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.4 | -38.7 | 173.5 | -96.5 | 82.5 | 0 | 0 | 0 | 111.5 | T373 V374 A379 S380 H381 | T373-L377 VanDerWaalsContact O-CD1 3.25Å; T373-L377 WeakPolarHBondContact O-CD1 3.25Å; T373-L377 PolarHBondContact O-N 2.94Å; V374-L377 PolarHBondContact O-N 3.13Å; L377-A379 VanDerWaalsContact C-N 3.29Å; L377-A379 PolarHBondContact O-N 3.44Å; L377-S380 WeakPolarHBondContact CA-OG 3.47Å; L377-S380 PolarHBondContact O-N 3.03Å; L377-S380 PolarHBondContact O-OG 3.4Å; L377-H381 PolarHBondContact O-CD2 3.49Å; L377-H381 PolarHBondContact O-N 2.65Å |
| 378 | T | 59.8 | Low | 56.6 | Low | 82 Ų | 82 | 100 Ų | 100 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.3 | -29.1 | 175.4 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | V374 A375 | V374-T378 HydrophobicContact CG1-CG2 4.44Å; V374-T378 WeakPolarHBondContact O-CB 3.4Å; V374-T378 WeakPolarHBondContact O-CG2 3.33Å; V374-T378 PolarHBondContact O-N 2.81Å; V374-T378 PolarHBondContact O-OG1 2.93Å; A375-T378 WeakPolarHBondContact CA-OG1 3.22Å; A375-T378 PolarHBondContact O-N 3.39Å; A375-T378 PolarHBondContact O-OG1 3.34Å |
| 379 | A | 54.1 | Low | 55.1 | Low | 63 Ų | 63 | 100.8 Ų | 100.8 | 52% | 0.521 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -74.5 | -36.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A375 S376 L377 N382 | A375-A379 WeakPolarHBondContact O-CB 3.42Å; A375-A379 PolarHBondContact O-N 3.4Å; S376-A379 PolarHBondContact O-N 2.95Å; L377-A379 VanDerWaalsContact C-N 3.29Å; L377-A379 PolarHBondContact O-N 3.44Å; A379-N382 PolarHBondContact O-N 3.38Å |
| 380 | S | 52.6 | Low | 53.2 | Low | 65 Ų | 65 | 101.1 Ų | 101.1 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.8 | -30.4 | 177.1 | 63.5 | 0 | 0 | 0 | 0 | 113.3 | S376 L377 N382 A383 | S376-S380 PolarHBondContact O-N 3.3Å; S376-S380 PolarHBondContact O-OG 2.98Å; L377-S380 WeakPolarHBondContact CA-OG 3.47Å; L377-S380 PolarHBondContact O-N 3.03Å; L377-S380 PolarHBondContact O-OG 3.4Å; S380-N382 VanDerWaalsContact C-N 3.29Å; S380-N382 PolarHBondContact O-N 3.37Å; S380-A383 PolarHBondContact O-N 3.14Å |
| 381 | H | 50.6 | Low | 51.3 | Low | 139 Ų | 139 | 106.3 Ų | 106.3 | 64% | 0.644 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72 | -20.7 | 173.7 | -81.9 | -68.2 | 0 | 0 | 0 | 113.6 | L377 | L377-H381 PolarHBondContact O-CD2 3.49Å; L377-H381 PolarHBondContact O-N 2.65Å |
| 382 | N | 49.8 | Very low | 49 | Very low | 150 Ų | 150 | 106.2 Ų | 106.2 | 80% | 0.802 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -7.4 | 174 | -82.4 | -7.6 | 0 | 0 | 0 | 113.7 | A379 S380 | A379-N382 PolarHBondContact O-N 3.38Å; S380-N382 VanDerWaalsContact C-N 3.29Å; S380-N382 PolarHBondContact O-N 3.37Å |
| 383 | A | 44.7 | Very low | 47.7 | Very low | 81 Ų | 81 | 105.1 Ų | 105.1 | 67% | 0.669 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -101.3 | 4.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S380 | S380-A383 PolarHBondContact O-N 3.14Š|
| 384 | T | 45.3 | Very low | 45.8 | Very low | 123 Ų | 123 | 110.1 Ų | 110.1 | 76% | 0.755 | 67% | 0.672 | S | S | * | * | trans | -110 | 63.4 | 173.7 | 29.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 385 | G | 40.8 | Very low | 43.8 | Very low | 61 Ų | 61 | 114.2 Ų | 114.2 | 63% | 0.629 | 69% | 0.685 | S | S | * | * | trans | -135.1 | 91 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 386 | L | 34 | Very low | 41.9 | Very low | 188 Ų | 188 | 121 Ų | 121 | 98% | 0.984 | 71% | 0.707 | S | S | * | * | trans | 151.2 | 124.6 | 141.3 | -99.1 | 102.9 | 0 | 0 | 0 | 113.3 | ||||
| 387 | G | 28 | Very low | 40.4 | Very low | 73 Ų | 73 | 122.7 Ų | 122.7 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | trans | 118.1 | 78.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 388 | L | 35.2 | Very low | 39.7 | Very low | 160 Ų | 160 | 123.6 Ų | 123.6 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | 53.7 | 141.2 | 98.8 | -113.7 | 79.6 | 0 | 0 | 0 | 115.9 | |||||
| 389 | P | 40.3 | Very low | 38.1 | Very low | 109 Ų | 109 | 124 Ų | 124 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | cis | -142.4 | 164.6 | 49.7 | 36.5 | -14.7 | 0 | 0 | 0 | 118.4 | ||||
| 390 | T | 33.2 | Very low | 37 | Very low | 95 Ų | 95 | 128.8 Ų | 128.8 | 58% | 0.583 | 76% | 0.76 | S | S | * | * | trans | -34.3 | 135.2 | 160.7 | -41.9 | 0 | 0 | 0 | 0 | 117.4 | T392 | T390-T392 HydrophobicContact CG2-CG2 3.72Š| ||
| 391 | F | 31.6 | Very low | 36.3 | Very low | 206 Ų | 206 | 134.8 Ų | 134.8 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | trans | -134.3 | 130.7 | 141 | -77.4 | -76.9 | 0 | 0 | 0 | 109.2 | ||||
| 392 | T | 28.8 | Very low | 35.3 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 72% | 0.718 | 81% | 0.809 | S | S | * | * | trans | -95.1 | -162.7 | -174.5 | 49.8 | 0 | 0 | 0 | 0 | 111 | T390 | T390-T392 HydrophobicContact CG2-CG2 3.72Š| ||
| 393 | P | 41 | Very low | 34.6 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 69% | 0.688 | 81% | 0.809 | S | S | * | * | -120 | 172.7 | -99.8 | 35.2 | -14.8 | 0 | 0 | 0 | 113.2 | |||||
| 394 | L | 30.6 | Very low | 34.1 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | trans | -169 | 91.9 | 157.1 | -133.5 | 90.8 | 0 | 0 | 0 | 106.8 | ||||
| 395 | E | 29.2 | Very low | 33.5 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | 63.2 | 112 | 81.9 | -161.4 | 155.3 | 147.3 | 0 | 0 | 114.3 | |||||
| 396 | E | 26.9 | Very low | 33 | Very low | 193 Ų | 193 | 149.5 Ų | 149.5 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | -167.9 | 128.9 | 115.4 | -136.7 | 162.9 | 169.8 | 0 | 0 | 111.8 | |||||
| 397 | S | 33.3 | Very low | 33 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | -88.6 | -179.7 | 170.5 | -110.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 398 | P | 42.9 | Very low | 33.3 | Very low | 123 Ų | 123 | 152 Ų | 152 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | cis | -144.8 | 175.7 | 27.5 | 39.9 | -18.5 | 0 | 0 | 0 | 116.7 | ||||
| 399 | A | 27 | Very low | 33.2 | Very low | 89 Ų | 89 | 151.4 Ų | 151.4 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | 163.8 | 105.1 | 126.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 400 | N | 32.1 | Very low | 32.6 | Very low | 165 Ų | 165 | 154.7 Ų | 154.7 | 88% | 0.882 | 84% | 0.835 | S | S | * | * | -179.7 | 130.1 | 117.5 | -105.5 | -7.3 | 0 | 0 | 0 | 111.1 | |||||
| 401 | E | 36.2 | Very low | 32.6 | Very low | 190 Ų | 190 | 159.7 Ų | 159.7 | 89% | 0.888 | 86% | 0.856 | S | S | * | * | trans | -56.6 | 143.6 | 162.5 | -51.5 | -176.6 | 150.7 | 0 | 0 | 108.7 | ||||
| 402 | E | 31.3 | Very low | 32.7 | Very low | 265 Ų | 265 | 155.5 Ų | 155.5 | 100% | 1.238 | 85% | 0.851 | S | S | * | * | -168.9 | 0 | 65.3 | -163.8 | 175.4 | 153.3 | 0 | 0 | 110 |
Retrieved 402 of 402 residues in 283.9 ms
(Link to these results)