| 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 | 33.5 | Very low | 29 | Very low | 240 Ų | 240 | 173.5 Ų | 173.5 | 100% | 1.182 | 83% | 0.828 | S | S | * | * | 0 | 112.2 | 0 | -158.9 | 154.6 | 96.6 | 0 | 0 | 107.7 | |||||
| 2 | F | 32.1 | Very low | 28.8 | Very low | 169 Ų | 169 | 172.2 Ų | 172.2 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | trans | 10.4 | 125.4 | 169.4 | -79.6 | -97.1 | 0 | 0 | 0 | 120.2 | L4 | F2-L4 HydrophobicContact CD1-CD1 4.1Å; F2-L4 HydrophobicContact CE1-CD1 3.81Å | ||
| 3 | F | 36.3 | Very low | 28.3 | Very low | 208 Ų | 208 | 167.2 Ų | 167.2 | 91% | 0.912 | 81% | 0.813 | S | S | * | * | -148.4 | 97.5 | 121.4 | -113 | -80.8 | 0 | 0 | 0 | 110.6 | |||||
| 4 | L | 27.3 | Very low | 28.1 | Very low | 136 Ų | 136 | 166.1 Ų | 166.1 | 71% | 0.712 | 81% | 0.812 | S | S | * | * | trans | -77.4 | 132.2 | 161 | -91.3 | 148.9 | 0 | 0 | 0 | 108.5 | F2 | F2-L4 HydrophobicContact CD1-CD1 4.1Å; F2-L4 HydrophobicContact CE1-CD1 3.81Å | ||
| 5 | K | 38.4 | Very low | 27.7 | Very low | 186 Ų | 186 | 166.5 Ų | 166.5 | 81% | 0.809 | 81% | 0.808 | S | S | * | * | trans | -137.3 | 75.8 | 156.7 | -146.8 | 173.7 | -174.8 | -179.2 | 0 | 111.8 | ||||
| 6 | K | 27.8 | Very low | 27.9 | Very low | 152 Ų | 152 | 166.4 Ų | 166.4 | 66% | 0.661 | 81% | 0.811 | S | S | * | * | trans | -8.1 | 115.4 | 138.5 | -155.6 | 175.3 | -168.7 | 175.7 | 0 | 114.5 | R8 | K6-R8 HydrophobicContact CG-CB 4.21Š| ||
| 7 | F | 29.3 | Very low | 27.7 | Very low | 215 Ų | 215 | 164.6 Ų | 164.6 | 94% | 0.943 | 81% | 0.807 | S | S | * | * | trans | -112.9 | 122.8 | 147.1 | -106 | -86.8 | 0 | 0 | 0 | 108.1 | ||||
| 8 | R | 20.6 | Very low | 27.6 | Very low | 204 Ų | 204 | 160.9 Ų | 160.9 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -141.5 | 110.5 | -171.6 | -159.7 | -174.9 | -173 | -156.1 | 5.7 | 106.3 | K6 | K6-R8 HydrophobicContact CG-CB 4.21Š| ||
| 9 | C | 25.2 | Very low | 27.5 | Very low | 131 Ų | 131 | 162.3 Ų | 162.3 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | trans | 175.7 | 141.7 | 163.8 | -103.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 10 | S | 25.4 | Very low | 27.6 | Very low | 102 Ų | 102 | 163.1 Ų | 163.1 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | cis | -162.4 | 160.5 | -9.3 | -166.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 11 | Q | 22.6 | Very low | 27.4 | Very low | 166 Ų | 166 | 161 Ų | 161 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -49.2 | 133.6 | -178.7 | -64.4 | 157.3 | -40.2 | 0 | 0 | 114.2 | ||||
| 12 | I | 26.5 | Very low | 27 | Very low | 157 Ų | 157 | 156.6 Ų | 156.6 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -130.8 | 93.3 | 139.3 | -62.5 | -178.9 | 0 | 0 | 0 | 106.5 | ||||
| 13 | T | 22.9 | Very low | 26.7 | Very low | 107 Ų | 107 | 154 Ų | 154 | 66% | 0.656 | 79% | 0.79 | S | S | * | * | trans | -89.3 | 107.9 | 164 | -59.6 | 0 | 0 | 0 | 0 | 106.6 | F15 | T13-F15 HydrophobicContact CG2-CD2 3.9Å; T13-F15 HydrophobicContact CG2-CE2 4.26Å | ||
| 14 | L | 25.6 | Very low | 26.4 | Very low | 153 Ų | 153 | 152.3 Ų | 152.3 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | -111.8 | 102.8 | 159.3 | -99.4 | 162.8 | 0 | 0 | 0 | 107.5 | ||||
| 15 | F | 22.4 | Very low | 26.4 | Very low | 172 Ų | 172 | 151.1 Ų | 151.1 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -58.1 | 133.3 | 156.2 | -96.6 | -101.4 | 0 | 0 | 0 | 108.8 | T13 | T13-F15 HydrophobicContact CG2-CD2 3.9Å; T13-F15 HydrophobicContact CG2-CE2 4.26Å | ||
| 16 | L | 30.5 | Very low | 26 | Very low | 164 Ų | 164 | 146 Ų | 146 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -165.1 | 102.2 | 139.4 | -100 | 166.9 | 0 | 0 | 0 | 109.9 | ||||
| 17 | N | 25.2 | Very low | 26.3 | Very low | 137 Ų | 137 | 144.7 Ų | 144.7 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | 14.8 | 130.4 | 147.4 | -83.4 | -29.5 | 0 | 0 | 0 | 123 | ||||
| 18 | S | 25.1 | Very low | 26.4 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | 65 | 116.9 | 127.6 | 71.3 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 19 | H | 26.7 | Very low | 27 | Very low | 188 Ų | 188 | 134.6 Ų | 134.6 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | trans | 51.7 | 94.2 | 143 | -76.3 | -87.1 | 0 | 0 | 0 | 117.6 | ||||
| 20 | Q | 28.4 | Very low | 27.2 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | -159.4 | 120.8 | 119.1 | -108.1 | 179.4 | 7.7 | 0 | 0 | 110.6 | L22 | Q20-L22 PolarHBondContact O-N 2.99Å; Q20-L22 VanDerWaalsContact O-N 3.15Å | |||
| 21 | S | 24 | Very low | 27.4 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -62.1 | 102.3 | 168 | 46.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 22 | L | 25.7 | Very low | 27.8 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -121.3 | 93.2 | 157.9 | -85.7 | 160.9 | 0 | 0 | 0 | 107 | Q20 L24 | Q20-L22 PolarHBondContact O-N 2.99Å; Q20-L22 VanDerWaalsContact O-N 3.15Å; L22-L24 PolarHBondContact O-N 3.39Å | ||
| 23 | S | 25.4 | Very low | 27.9 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | trans | -57.6 | 99.6 | 167.2 | 52.3 | 0 | 0 | 0 | 0 | 108.7 | C25 | S23-C25 PolarHBondContact O-N 3.42Š| ||
| 24 | L | 29 | Very low | 28.3 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | trans | -64.8 | 101.4 | 165.6 | -83.4 | 152.2 | 0 | 0 | 0 | 107.5 | L22 S26 | L22-L24 PolarHBondContact O-N 3.39Å; L24-S26 PolarHBondContact O-N 3.24Å | ||
| 25 | C | 28.2 | Very low | 28.7 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 75% | 0.75 | 77% | 0.77 | S | S | * | * | trans | -56.2 | 125.6 | 171.8 | -132.2 | 0 | 0 | 0 | 0 | 109 | S23 | S23-C25 PolarHBondContact O-N 3.42Š| ||
| 26 | S | 29.3 | Very low | 29 | Very low | 77 Ų | 77 | 139.1 Ų | 139.1 | 54% | 0.538 | 77% | 0.774 | S | S | . | * | trans | -51.7 | 140.8 | 172.5 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | L24 T28 | L24-S26 PolarHBondContact O-N 3.24Å; S26-T28 PolarHBondContact O-N 3.06Å | ||
| 27 | P | 34.2 | Very low | 29 | Very low | 125 Ų | 125 | 140 Ų | 140 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 25.8 | -172.1 | 30.1 | -34.2 | 0 | 0 | 0 | 114.7 | ||
| 28 | T | 32.1 | Very low | 29.5 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -3.4 | 173.7 | 38.9 | 0 | 0 | 0 | 0 | 114.4 | S26 | S26-T28 PolarHBondContact O-N 3.06Š|
| 29 | T | 32.7 | Very low | 30 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 58% | 0.577 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -101.9 | -3 | -178.6 | -33.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 30 | F | 29.8 | Very low | 30.7 | Very low | 197 Ų | 197 | 139.7 Ų | 139.7 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -87.7 | -1.6 | -179.3 | -114.1 | -85.2 | 0 | 0 | 0 | 115.9 | ||
| 31 | L | 29.5 | Very low | 31.3 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -114.3 | 1.2 | 178.1 | -80.3 | 173.5 | 0 | 0 | 0 | 115.7 | ||
| 32 | V | 30.8 | Very low | 32.3 | Very low | 113 Ų | 113 | 133 Ų | 133 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -99.9 | -11.2 | 176.4 | -175.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 33 | H | 28.9 | Very low | 33.1 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -106.1 | 30.4 | -173.8 | -131.6 | 72.1 | 0 | 0 | 0 | 116.4 | ||
| 34 | S | 30.8 | Very low | 33.8 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 74% | 0.741 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -138.7 | 8.9 | 169.8 | -74.3 | 0 | 0 | 0 | 0 | 116.3 | ||
| 35 | Y | 34.5 | Very low | 34.6 | Very low | 212 Ų | 212 | 127.5 Ų | 127.5 | 83% | 0.831 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -116.2 | 4.3 | 174.7 | -77.1 | -74.7 | 0 | 0 | 0 | 115.3 | ||
| 36 | C | 29.1 | Very low | 35.6 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -91.5 | 5.5 | 175.2 | -145 | 0 | 0 | 0 | 0 | 114.2 | ||
| 37 | Q | 30.7 | Very low | 36.2 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 85% | 0.85 | 71% | 0.708 | S | S | * | * | trans | -126 | 72.1 | 171.4 | -69.4 | -163.1 | -8.2 | 0 | 0 | 110.9 | ||||
| 38 | L | 33.8 | Very low | 36.3 | Very low | 169 Ų | 169 | 134 Ų | 134 | 89% | 0.885 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -117.4 | 116.4 | 143.5 | -137.3 | 82.8 | 0 | 0 | 0 | 107.2 | ||
| 39 | P | 37.1 | Very low | 37 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | trans | -82.8 | 164.8 | -155.3 | 31.1 | -34.2 | 0 | 0 | 0 | 112.6 | A41 | P39-A41 HydrophobicContact CG-CB 4.33Å; P39-A41 PolarHBondContact O-N 3.2Å | ||
| 40 | L | 41.4 | Very low | 37.4 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 78% | 0.78 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -44.8 | 15.5 | 166.4 | -72.7 | 151.2 | 0 | 0 | 0 | 116.7 | V42 L43 | L40-V42 VanDerWaalsContact C-N 3.25Å; L40-V42 PolarHBondContact O-N 3.25Å; L40-L43 HydrophobicContact CD2-CD1 3.59Å |
| 41 | A | 41.6 | Very low | 37.7 | Very low | 62 Ų | 62 | 131.1 Ų | 131.1 | 51% | 0.512 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.9 | -2.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P39 P44 | P39-A41 HydrophobicContact CG-CB 4.33Å; P39-A41 PolarHBondContact O-N 3.2Å; A41-P44 WeakPolarHBondContact O-CD 3.48Å |
| 42 | V | 44.4 | Very low | 38 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 58% | 0.582 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -18.7 | 175.4 | -177.1 | 0 | 0 | 0 | 0 | 112.5 | L40 E45 I46 | L40-V42 VanDerWaalsContact C-N 3.25Å; L40-V42 PolarHBondContact O-N 3.25Å; V42-E45 PolarHBondContact O-N 2.97Å; V42-I46 PolarHBondContact O-N 2.96Å |
| 43 | L | 42.9 | Very low | 38.7 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 58% | 0.581 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -64.5 | -35.9 | 177.9 | -78.8 | 159.4 | 0 | 0 | 0 | 114.1 | L40 R47 | L40-L43 HydrophobicContact CD2-CD1 3.59Å; L43-R47 PolarHBondContact O-N 3.17Å |
| 44 | P | 39.9 | Very low | 38.8 | Very low | 77 Ų | 77 | 129 Ų | 129 | 50% | 0.5 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -67.8 | -34.3 | 174.9 | -20.7 | 33.2 | 0 | 0 | 0 | 113.9 | A41 I46 R47 K48 | A41-P44 WeakPolarHBondContact O-CD 3.48Å; P44-I46 VanDerWaalsContact C-N 3.34Å; P44-I46 PolarHBondContact O-N 3.34Å; P44-R47 PolarHBondContact O-N 3.02Å; P44-K48 PolarHBondContact O-N 3.08Å |
| 45 | E | 45.4 | Very low | 38.8 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 61% | 0.607 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.2 | -37.2 | -179.4 | -129.2 | 74 | -145.4 | 0 | 0 | 111.6 | V42 R47 K48 R49 | V42-E45 PolarHBondContact O-N 2.97Å; E45-R47 VanDerWaalsContact C-N 3.33Å; E45-K48 PolarHBondContact O-N 3.36Å; E45-R49 PolarHBondContact O-N 3.07Å; E45-R49 VanDerWaalsContact O-N 3.13Å |
| 46 | I | 49.9 | Very low | 38.9 | Very low | 96 Ų | 96 | 125 Ų | 125 | 49% | 0.492 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64 | -40.2 | 174 | -62.9 | 171.2 | 0 | 0 | 0 | 110.4 | V42 P44 N50 | V42-I46 PolarHBondContact O-N 2.96Å; P44-I46 VanDerWaalsContact C-N 3.34Å; P44-I46 PolarHBondContact O-N 3.34Å; I46-N50 PolarHBondContact O-N 3.08Å |
| 47 | R | 41.7 | Very low | 39.2 | Very low | 201 Ų | 201 | 123 Ų | 123 | 76% | 0.758 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.6 | -40.1 | 179.5 | -171.4 | 171.6 | -77.1 | -178.7 | -3.4 | 112.2 | L43 P44 E45 S51 | L43-R47 PolarHBondContact O-N 3.17Å; P44-R47 PolarHBondContact O-N 3.02Å; E45-R47 VanDerWaalsContact C-N 3.33Å; R47-S51 PolarHBondContact O-N 3.4Å; R47-S51 PolarHBondContact O-OG 3.26Å |
| 48 | K | 35.1 | Very low | 39.4 | Very low | 152 Ų | 152 | 119 Ų | 119 | 66% | 0.661 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.9 | -36.9 | 176.2 | -98.9 | -177.7 | 176.4 | 177.9 | 0 | 112.8 | P44 E45 S51 N52 | P44-K48 PolarHBondContact O-N 3.08Å; E45-K48 PolarHBondContact O-N 3.36Å; K48-S51 PolarHBondContact O-N 3.34Å; K48-N52 PolarHBondContact O-N 3.04Å |
| 49 | R | 47.3 | Very low | 39.1 | Very low | 185 Ų | 185 | 116 Ų | 116 | 70% | 0.698 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.8 | -41.8 | -179 | -139.4 | 178.4 | -162.8 | 175.5 | 3.1 | 112.3 | E45 S51 N52 E53 | E45-R49 PolarHBondContact O-N 3.07Å; E45-R49 VanDerWaalsContact O-N 3.13Å; R49-S51 VanDerWaalsContact C-N 3.27Å; R49-S51 PolarHBondContact O-N 3.35Å; R49-N52 PolarHBondContact O-N 2.96Å; R49-E53 PolarHBondContact O-N 3.17Å |
| 50 | N | 40.1 | Very low | 38.7 | Very low | 100 Ų | 100 | 115.5 Ų | 115.5 | 54% | 0.535 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.4 | -29.7 | 175.1 | -69.8 | -0.1 | 0 | 0 | 0 | 112.5 | I46 K54 | I46-N50 PolarHBondContact O-N 3.08Å; N50-K54 PolarHBondContact O-N 3.48Å |
| 51 | S | 37.3 | Very low | 38 | Very low | 60 Ų | 60 | 116 Ų | 116 | 42% | 0.42 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.5 | -39 | 173 | -68.4 | 0 | 0 | 0 | 0 | 112.7 | R47 K48 R49 K54 L55 | R47-S51 PolarHBondContact O-N 3.4Å; R47-S51 PolarHBondContact O-OG 3.26Å; K48-S51 PolarHBondContact O-N 3.34Å; R49-S51 VanDerWaalsContact C-N 3.27Å; R49-S51 PolarHBondContact O-N 3.35Å; S51-K54 PolarHBondContact O-N 3.21Å; S51-L55 PolarHBondContact O-N 3.07Å |
| 52 | N | 34.8 | Very low | 37.4 | Very low | 100 Ų | 100 | 118.9 Ų | 118.9 | 54% | 0.535 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.6 | -35.6 | 178.6 | -77.3 | -10.7 | 0 | 0 | 0 | 112.5 | K48 R49 L55 L56 | K48-N52 PolarHBondContact O-N 3.04Å; R49-N52 PolarHBondContact O-N 2.96Å; N52-L55 PolarHBondContact O-N 3.47Å; N52-L56 WeakPolarHBondContact O-CB 3.43Å; N52-L56 WeakPolarHBondContact O-CD1 3.29Å; N52-L56 WeakPolarHBondContact O-CG 3.33Å; N52-L56 PolarHBondContact O-N 3.33Å |
| 53 | E | 46.1 | Very low | 36.5 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.4 | -37.3 | 172.1 | -78.6 | -175.7 | 160.5 | 0 | 0 | 112.2 | R49 L56 S57 | R49-E53 PolarHBondContact O-N 3.17Å; E53-L56 PolarHBondContact O-N 3.48Å; E53-S57 WeakPolarHBondContact O-CB 3.28Å; E53-S57 PolarHBondContact O-N 2.84Å; E53-S57 PolarHBondContact O-OG 3.29Å |
| 54 | K | 31.9 | Very low | 35.5 | Very low | 162 Ų | 162 | 123.5 Ų | 123.5 | 70% | 0.704 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.4 | -33.3 | 175.2 | -116.4 | 179.7 | -179.6 | -176.9 | 0 | 113.5 | N50 S51 S57 T58 | N50-K54 PolarHBondContact O-N 3.48Å; S51-K54 PolarHBondContact O-N 3.21Å; K54-S57 PolarHBondContact O-OG 3.48Å; K54-S57 VanDerWaalsContact O-OG 3.1Å; K54-T58 PolarHBondContact O-N 3.24Å; K54-T58 PolarHBondContact O-OG1 3.41Å |
| 55 | L | 29.7 | Very low | 34.9 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 56% | 0.56 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.7 | -40.8 | 174.3 | -99 | 137.5 | 0 | 0 | 0 | 111.6 | S51 N52 S57 T58 C59 | S51-L55 PolarHBondContact O-N 3.07Å; N52-L55 PolarHBondContact O-N 3.47Å; L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 3.16Å; L55-T58 WeakPolarHBondContact CA-OG1 3.42Å; L55-T58 PolarHBondContact O-N 2.87Å; L55-T58 PolarHBondContact O-OG1 3.46Å; L55-C59 PolarHBondContact O-N 3.42Å; L55-C59 VanDerWaalsContact O-N 3.14Å |
| 56 | L | 36.4 | Very low | 33.7 | Very low | 127 Ų | 127 | 130 Ų | 130 | 67% | 0.665 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -66.6 | -32.9 | 175.1 | -79.4 | 158.1 | 0 | 0 | 0 | 112.4 | N52 E53 | N52-L56 WeakPolarHBondContact O-CB 3.43Å; N52-L56 WeakPolarHBondContact O-CD1 3.29Å; N52-L56 WeakPolarHBondContact O-CG 3.33Å; N52-L56 PolarHBondContact O-N 3.33Å; E53-L56 PolarHBondContact O-N 3.48Å |
| 57 | S | 36.7 | Very low | 32.5 | Very low | 80 Ų | 80 | 133.2 Ų | 133.2 | 56% | 0.559 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -76 | -24.4 | 175.4 | 75.9 | 0 | 0 | 0 | 0 | 113.8 | E53 K54 L55 | E53-S57 WeakPolarHBondContact O-CB 3.28Å; E53-S57 PolarHBondContact O-N 2.84Å; E53-S57 PolarHBondContact O-OG 3.29Å; K54-S57 PolarHBondContact O-OG 3.48Å; K54-S57 VanDerWaalsContact O-OG 3.1Å; L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 3.16Å |
| 58 | T | 33.7 | Very low | 31.7 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -88.6 | -20 | 178.4 | 37.2 | 0 | 0 | 0 | 0 | 113.7 | K54 L55 S60 | K54-T58 PolarHBondContact O-N 3.24Å; K54-T58 PolarHBondContact O-OG1 3.41Å; L55-T58 WeakPolarHBondContact CA-OG1 3.42Å; L55-T58 PolarHBondContact O-N 2.87Å; L55-T58 PolarHBondContact O-OG1 3.46Å; T58-S60 PolarHBondContact O-N 3.04Å |
| 59 | C | 27.5 | Very low | 31.1 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 72% | 0.723 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -77.9 | 3.4 | 172.8 | -79.9 | 0 | 0 | 0 | 0 | 114.8 | L55 | L55-C59 PolarHBondContact O-N 3.42Å; L55-C59 VanDerWaalsContact O-N 3.14Å |
| 60 | S | 29.8 | Very low | 29.9 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | trans | -108.8 | 59.1 | 175.9 | -60 | 0 | 0 | 0 | 0 | 111.3 | T58 | T58-S60 PolarHBondContact O-N 3.04Š| ||
| 61 | Q | 26.7 | Very low | 29.1 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -136.6 | 122.5 | 161.7 | -74.2 | -66.7 | -70 | 0 | 0 | 108.3 | K63 | Q61-K63 PolarHBondContact O-N 2.81Š|
| 62 | P | 28.5 | Very low | 28.6 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | trans | -72.7 | 118.1 | -173 | 27.9 | -30.7 | 0 | 0 | 0 | 110 | S64 | P62-S64 PolarHBondContact O-N 3.02Š| ||
| 63 | K | 24.7 | Very low | 28.3 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | trans | -71.1 | 115.8 | 166.3 | -85 | -174 | 174.5 | -177 | 0 | 108.8 | Q61 D65 | Q61-K63 PolarHBondContact O-N 2.81Å; K63-D65 PolarHBondContact O-N 3.21Å | ||
| 64 | S | 22.6 | Very low | 27.2 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -67.5 | 103.5 | 163.1 | 56.7 | 0 | 0 | 0 | 0 | 109.2 | P62 | P62-S64 PolarHBondContact O-N 3.02Š| ||
| 65 | D | 26.4 | Very low | 27.1 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | -117.5 | 115.9 | 162.4 | -79.1 | -39.1 | 0 | 0 | 0 | 108.8 | K63 L67 | K63-D65 PolarHBondContact O-N 3.21Å; D65-L67 PolarHBondContact O-N 3.01Å | ||
| 66 | K | 21.3 | Very low | 27 | Very low | 207 Ų | 207 | 137.1 Ų | 137.1 | 90% | 0.9 | 76% | 0.763 | S | S | * | * | trans | -53.7 | 126.8 | 170.3 | -68.3 | 170.9 | 173.8 | 178.6 | 0 | 108.8 | ||||
| 67 | L | 25.2 | Very low | 26.5 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -145.9 | 137.1 | 161.6 | -108.2 | 145.6 | 0 | 0 | 0 | 109.7 | D65 | D65-L67 PolarHBondContact O-N 3.01Š| ||
| 68 | D | 24.6 | Very low | 26 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -70.9 | 149.4 | -148.9 | -67.7 | -61.7 | 0 | 0 | 0 | 116.3 | N70 | D68-N70 PolarHBondContact O-N 3.11Š| ||
| 69 | L | 21.1 | Very low | 25.4 | Very low | 170 Ų | 170 | 148 Ų | 148 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -57.4 | 118.6 | 163.3 | -71.2 | 147.7 | 0 | 0 | 0 | 110.7 | ||||
| 70 | N | 23 | Very low | 25.4 | Very low | 151 Ų | 151 | 150.7 Ų | 150.7 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -162.9 | 127.2 | 131.5 | -124.4 | -16.7 | 0 | 0 | 0 | 113.6 | D68 | D68-N70 PolarHBondContact O-N 3.11Š| ||
| 71 | S | 24.1 | Very low | 25.5 | Very low | 92 Ų | 92 | 152.4 Ų | 152.4 | 64% | 0.643 | 81% | 0.812 | S | S | * | * | trans | 45 | 110.5 | 145.3 | 56.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 72 | Q | 26.7 | Very low | 25.4 | Very low | 185 Ų | 185 | 148.4 Ų | 148.4 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | -172 | 111.2 | 116.4 | -99.6 | 168.5 | 17.1 | 0 | 0 | 112.1 | |||||
| 73 | S | 27.8 | Very low | 25.1 | Very low | 109 Ų | 109 | 148 Ų | 148 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | 39.4 | 110.4 | 145.8 | 56.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 74 | E | 23.3 | Very low | 25.2 | Very low | 193 Ų | 193 | 144.6 Ų | 144.6 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72 | 138.9 | 163.1 | -74.2 | 178.3 | 143.9 | 0 | 0 | 112.9 | ||
| 75 | P | 28.7 | Very low | 25.4 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 158.8 | 162.4 | 34.2 | -28.5 | 0 | 0 | 0 | 112.1 | ||
| 76 | P | 28 | Very low | 25.3 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 156.7 | -159.1 | 33.3 | -35.2 | 0 | 0 | 0 | 114.3 | ||
| 77 | P | 27 | Very low | 25.5 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 135 | -173.1 | 29.9 | -32.9 | 0 | 0 | 0 | 113.3 | Q79 | P77-Q79 PolarHBondContact O-N 3.11Š|
| 78 | Y | 25.9 | Very low | 25.4 | Very low | 230 Ų | 230 | 140.2 Ų | 140.2 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 119 | 176.4 | -144.2 | -99.8 | 0 | 0 | 0 | 110.2 | ||
| 79 | Q | 21.3 | Very low | 25.3 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 129.1 | 179.4 | -70.4 | 179.6 | -17.7 | 0 | 0 | 111.1 | P77 | P77-Q79 PolarHBondContact O-N 3.11Š|
| 80 | L | 27.9 | Very low | 25.5 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 145.2 | 167.6 | -86.2 | 152 | 0 | 0 | 0 | 110.2 | ||
| 81 | P | 30.2 | Very low | 25.8 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 132 | -176.7 | -9.7 | 25.3 | 0 | 0 | 0 | 111.9 | ||
| 82 | G | 24.5 | Very low | 25.7 | Very low | 75 Ų | 75 | 135.3 Ų | 135.3 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -71.2 | -178.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 83 | S | 22.9 | Very low | 25.6 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | cis | -164.1 | 161.6 | -3.2 | 78.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 84 | S | 27.5 | Very low | 25.3 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 105.1 | 139 | 161.9 | 75 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 85 | A | 25.9 | Very low | 25.3 | Very low | 83 Ų | 83 | 135.2 Ų | 135.2 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | cis | -162.5 | 150.5 | -27.3 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 86 | D | 24.7 | Very low | 25 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | 71.9 | 114.7 | 154.7 | -64.4 | -32.6 | 0 | 0 | 0 | 122.6 | ||||
| 87 | Q | 24.7 | Very low | 24.8 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | 88.1 | 122.2 | 128.8 | -67.7 | -178.9 | 15.3 | 0 | 0 | 122.1 | |||||
| 88 | N | 24.6 | Very low | 24.7 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | 71.4 | 99.7 | 146.9 | -79.3 | -0.8 | 0 | 0 | 0 | 121.6 | ||||
| 89 | T | 22.7 | Very low | 24.6 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | 33.7 | 130.2 | 123 | 53.7 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 90 | S | 24.3 | Very low | 24.8 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | 104.7 | 138.3 | 150.9 | 75.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 91 | A | 28.6 | Very low | 24.4 | Very low | 90 Ų | 90 | 137.1 Ų | 137.1 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | 84.6 | 98.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 92 | V | 23.4 | Very low | 24.2 | Very low | 129 Ų | 129 | 138 Ų | 138 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -85.9 | 100.7 | 167.2 | 171.8 | 0 | 0 | 0 | 0 | 107 | I94 | V92-I94 HydrophobicContact CG1-CD1 4.29Å; V92-I94 HydrophobicContact CG1-CG1 3.97Å | ||
| 93 | D | 23 | Very low | 24.1 | Very low | 150 Ų | 150 | 140 Ų | 140 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -98.6 | 114.8 | 166.7 | -75.7 | -35.8 | 0 | 0 | 0 | 108.9 | ||||
| 94 | I | 22.2 | Very low | 24.1 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -96 | 99.9 | 173.7 | -62.7 | 172.6 | 0 | 0 | 0 | 106.5 | V92 | V92-I94 HydrophobicContact CG1-CD1 4.29Å; V92-I94 HydrophobicContact CG1-CG1 3.97Å | ||
| 95 | E | 23.7 | Very low | 23.9 | Very low | 189 Ų | 189 | 145 Ų | 145 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -101.1 | 110.5 | 171.3 | -160.3 | 143.1 | -155.6 | 0 | 0 | 109.5 | E97 | E95-E97 PolarHBondContact O-N 2.81Š| ||
| 96 | C | 22.9 | Very low | 23.8 | Very low | 115 Ų | 115 | 146 Ų | 146 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -81.2 | 113.8 | 179.9 | -79 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 97 | E | 24 | Very low | 23.9 | Very low | 187 Ų | 187 | 147.5 Ų | 147.5 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | 18.5 | 125.6 | 139.9 | -137.8 | 161.4 | -171 | 0 | 0 | 120.9 | E95 | E95-E97 PolarHBondContact O-N 2.81Š| ||
| 98 | N | 23.3 | Very low | 23.9 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -69.8 | 126.6 | 176.7 | -70.6 | -50.2 | 0 | 0 | 0 | 113.8 | ||||
| 99 | H | 24.7 | Very low | 23.9 | Very low | 179 Ų | 179 | 151.4 Ų | 151.4 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -99.7 | 143.4 | 145.7 | -81.5 | -89.4 | 0 | 0 | 0 | 106.2 | ||||
| 100 | S | 24.4 | Very low | 24 | Very low | 108 Ų | 108 | 149.2 Ų | 149.2 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | cis | -172.5 | 148 | 40.8 | -22.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 101 | Y | 21 | Very low | 23.9 | Very low | 221 Ų | 221 | 148.8 Ų | 148.8 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -20.7 | 135.3 | 149.4 | -112.5 | -114.8 | 0 | 0 | 0 | 117.4 | ||||
| 102 | T | 25.5 | Very low | 23.7 | Very low | 143 Ų | 143 | 151 Ų | 151 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | -170.9 | 114.1 | 114 | 34.6 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 103 | S | 22 | Very low | 24 | Very low | 118 Ų | 118 | 150 Ų | 150 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -119.7 | 99.1 | 167.6 | 178.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 104 | E | 24.4 | Very low | 24.3 | Very low | 164 Ų | 164 | 149.4 Ų | 149.4 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | trans | -136.3 | 113.4 | 160.7 | -83.4 | -159.6 | 125.1 | 0 | 0 | 109.8 | ||||
| 105 | K | 22 | Very low | 24.7 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | 45.7 | 118.1 | 135.5 | -63.3 | 171.1 | -178.9 | 160 | 0 | 116.9 | ||||
| 106 | S | 23.4 | Very low | 24.9 | Very low | 103 Ų | 103 | 150.1 Ų | 150.1 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | 158.4 | 138.6 | 89.7 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 107 | H | 27.1 | Very low | 25.2 | Very low | 173 Ų | 173 | 157 Ų | 157 | 80% | 0.801 | 83% | 0.829 | S | S | * | * | trans | 58.1 | 86.5 | 151.3 | -64.4 | -64.3 | 0 | 0 | 0 | 119.9 | ||||
| 108 | L | 24.1 | Very low | 25.7 | Very low | 180 Ų | 180 | 151.6 Ų | 151.6 | 94% | 0.942 | 82% | 0.817 | S | S | * | * | trans | -76.8 | 108.7 | 152.9 | -132.6 | 81.9 | 0 | 0 | 0 | 108.8 | ||||
| 109 | F | 25.1 | Very low | 26.4 | Very low | 207 Ų | 207 | 149.1 Ų | 149.1 | 91% | 0.908 | 81% | 0.81 | S | S | * | * | trans | -143.5 | 132.1 | 163.9 | -120.1 | -85.8 | 0 | 0 | 0 | 108.6 | ||||
| 110 | G | 25.3 | Very low | 26.7 | Very low | 73 Ų | 73 | 148.1 Ų | 148.1 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 104 | 68.1 | 162 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 111 | S | 21.6 | Very low | 27.7 | Very low | 116 Ų | 116 | 148 Ų | 148 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -71.9 | 118 | 151.8 | 171 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 112 | T | 25.2 | Very low | 28.4 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 83% | 0.828 | 81% | 0.809 | S | S | * | * | trans | -174.4 | 150 | 139.8 | 10 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 113 | S | 30.3 | Very low | 29.2 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | 82.7 | 89 | 165.2 | 86.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 114 | V | 27.4 | Very low | 30 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -59.3 | 127 | 148.8 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 115 | N | 32 | Very low | 31 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -156.2 | 96.7 | 154.6 | -85.3 | -32.5 | 0 | 0 | 0 | 106.8 | ||||
| 116 | K | 27.1 | Very low | 32.1 | Very low | 202 Ų | 202 | 139.7 Ų | 139.7 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | 62 | 85.2 | 90.7 | -142.4 | -177.8 | -163.5 | -178.7 | 0 | 113.1 | |||||
| 117 | W | 29.8 | Very low | 33.3 | Very low | 258 Ų | 258 | 140.1 Ų | 140.1 | 98% | 0.977 | 80% | 0.804 | S | S | * | * | trans | -137.2 | 135.1 | 150.5 | -156.4 | 60.7 | 0 | 0 | 0 | 109.6 | ||||
| 118 | A | 34.1 | Very low | 34.4 | Very low | 75 Ų | 75 | 137.9 Ų | 137.9 | 62% | 0.62 | 80% | 0.803 | S | S | * | * | trans | -86.1 | 168.4 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 119 | P | 37.4 | Very low | 36.1 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | -96.9 | 152 | -162.9 | 37.1 | -31 | 0 | 0 | 0 | 113.1 | ||||
| 120 | N | 31.8 | Very low | 37.8 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | 172.2 | 158.2 | 145.9 | -87.4 | -19.9 | 0 | 0 | 0 | 111.2 | ||||
| 121 | P | 45.3 | Very low | 39.2 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | cis | -126.9 | 174.3 | -40.8 | 35.2 | -18.4 | 0 | 0 | 0 | 112 | V123 | P121-V123 PolarHBondContact O-N 2.92Å; P121-V123 VanDerWaalsContact O-N 3.13Å | ||
| 122 | L | 35.1 | Very low | 41.3 | Very low | 172 Ų | 172 | 129.2 Ų | 129.2 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | trans | -31.8 | 104.6 | 177.3 | -71.2 | 126.1 | 0 | 0 | 0 | 115.4 | T124 | L122-T124 PolarHBondContact O-N 3.39Š| ||
| 123 | V | 42.2 | Very low | 43.5 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -83.2 | 109.4 | 158 | 177.2 | 0 | 0 | 0 | 0 | 107 | P121 S125 | P121-V123 PolarHBondContact O-N 2.92Å; P121-V123 VanDerWaalsContact O-N 3.13Å; V123-S125 VanDerWaalsContact C-N 3.28Å; V123-S125 PolarHBondContact O-N 2.86Å | ||
| 124 | T | 38.9 | Very low | 45.5 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | -62.5 | 89.9 | 165.2 | 32.5 | 0 | 0 | 0 | 0 | 108.8 | L122 S126 | L122-T124 PolarHBondContact O-N 3.39Å; T124-S126 PolarHBondContact O-N 3.39Å | ||
| 125 | S | 45.2 | Very low | 47.7 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | trans | -69 | 102 | 170.1 | 54.7 | 0 | 0 | 0 | 0 | 108.7 | V123 S127 | V123-S125 VanDerWaalsContact C-N 3.28Å; V123-S125 PolarHBondContact O-N 2.86Å; S125-S127 VanDerWaalsContact C-N 3.35Å; S125-S127 PolarHBondContact O-N 3.1Å | ||
| 126 | S | 44.8 | Very low | 49.6 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | -61.2 | 100.1 | 159.1 | 43.3 | 0 | 0 | 0 | 0 | 107.6 | T124 T128 | T124-S126 PolarHBondContact O-N 3.39Å; S126-T128 VanDerWaalsContact C-N 3.27Å; S126-T128 PolarHBondContact O-N 3.23Å | ||
| 127 | S | 49.5 | Very low | 51.6 | Low | 112 Ų | 112 | 117.1 Ų | 117.1 | 78% | 0.783 | 70% | 0.697 | S | S | * | * | trans | -66.2 | 90 | 173.6 | 53.6 | 0 | 0 | 0 | 0 | 108.6 | S125 S129 | S125-S127 VanDerWaalsContact C-N 3.35Å; S125-S127 PolarHBondContact O-N 3.1Å; S127-S129 VanDerWaalsContact C-N 3.28Å; S127-S129 PolarHBondContact O-N 3.31Å | ||
| 128 | T | 51.3 | Low | 53.8 | Low | 127 Ų | 127 | 111.3 Ų | 111.3 | 78% | 0.779 | 68% | 0.684 | S | S | * | * | trans | -74.3 | 91.7 | 165.6 | -43.4 | 0 | 0 | 0 | 0 | 105.6 | S126 C130 | S126-T128 VanDerWaalsContact C-N 3.27Å; S126-T128 PolarHBondContact O-N 3.23Å; T128-C130 PolarHBondContact O-N 2.84Å | ||
| 129 | S | 58.4 | Low | 55.9 | Low | 105 Ų | 105 | 112.9 Ų | 112.9 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | trans | -60 | 112 | 175.8 | 51.3 | 0 | 0 | 0 | 0 | 108.4 | S127 | S127-S129 VanDerWaalsContact C-N 3.28Å; S127-S129 PolarHBondContact O-N 3.31Å | ||
| 130 | C | 61.3 | Low | 57.9 | Low | 114 Ų | 114 | 110.2 Ų | 110.2 | 77% | 0.77 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 128.7 | 167.8 | -73.3 | 0 | 0 | 0 | 0 | 108 | T128 T132 | T128-C130 PolarHBondContact O-N 2.84Å; C130-T132 PolarHBondContact O-N 3.42Å |
| 131 | P | 54.1 | Low | 60.3 | Low | 90 Ų | 90 | 106.3 Ų | 106.3 | 58% | 0.584 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -57 | 130.8 | 175.2 | 21.1 | -29.7 | 0 | 0 | 0 | 109 | D135 | P131-D135 HydrophobicContact CB-CB 4.09Š|
| 132 | T | 66.9 | Low | 62.1 | Low | 84 Ų | 84 | 106.4 Ų | 106.4 | 52% | 0.515 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 158.2 | -179.4 | -25.9 | 0 | 0 | 0 | 0 | 109 | C130 I134 D135 L136 | C130-T132 PolarHBondContact O-N 3.42Å; T132-I134 PolarHBondContact O-N 3.02Å; T132-D135 WeakPolarHBondContact CB-OD2 3.15Å; T132-D135 PolarHBondContact N-OD2 2.8Å; T132-D135 WeakPolarHBondContact O-CB 3.1Å; T132-D135 PolarHBondContact O-N 2.95Å; T132-D135 PolarHBondContact OG1-OD2 3.44Å; T132-L136 PolarHBondContact O-N 3.38Å; T132-L136 VanDerWaalsContact O-N 3.13Å |
| 133 | T | 70.7 | Confident | 64.6 | Low | 116 Ų | 116 | 101.7 Ų | 101.7 | 71% | 0.712 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -53.4 | -30.7 | 174 | -51.7 | 0 | 0 | 0 | 0 | 112.4 | V137 | T133-V137 VanDerWaalsContact O-CG2 3.3Å; T133-V137 WeakPolarHBondContact O-CG2 3.48Å; T133-V137 PolarHBondContact O-N 3.45Å |
| 134 | I | 72.8 | Confident | 66.8 | Low | 115 Ų | 115 | 98.1 Ų | 98.1 | 59% | 0.59 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65 | -47.4 | 175 | -61.4 | 175.1 | 0 | 0 | 0 | 111 | T132 L136 V137 L138 | T132-I134 PolarHBondContact O-N 3.02Å; I134-L136 VanDerWaalsContact C-N 3.27Å; I134-L136 PolarHBondContact O-N 3.41Å; I134-V137 PolarHBondContact O-N 2.93Å; I134-V137 VanDerWaalsContact O-N 3.11Å; I134-L138 HydrophobicContact CG2-CD1 3.82Å; I134-L138 HydrophobicContact CG2-CG 4.28Å; I134-L138 WeakPolarHBondContact O-CG 3.46Å; I134-L138 PolarHBondContact O-N 3.32Å |
| 135 | D | 73.5 | Confident | 69.2 | Low | 71 Ų | 71 | 95 Ų | 95 | 38% | 0.38 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.3 | -39.1 | 179.1 | -57 | -43.9 | 0 | 0 | 0 | 111 | P131 T132 V137 L138 T139 | P131-D135 HydrophobicContact CB-CB 4.09Å; T132-D135 WeakPolarHBondContact CB-OD2 3.15Å; T132-D135 PolarHBondContact N-OD2 2.8Å; T132-D135 WeakPolarHBondContact O-CB 3.1Å; T132-D135 PolarHBondContact O-N 2.95Å; T132-D135 PolarHBondContact OG1-OD2 3.44Å; D135-V137 VanDerWaalsContact C-N 3.29Å; D135-V137 PolarHBondContact O-N 3.39Å; D135-L138 PolarHBondContact O-N 3.47Å; D135-T139 WeakPolarHBondContact O-CB 3.28Å; D135-T139 WeakPolarHBondContact O-CG2 3.37Å; D135-T139 PolarHBondContact O-N 2.78Å; D135-T139 PolarHBondContact O-OG1 2.05Å |
| 136 | L | 71.2 | Confident | 71.3 | Confident | 102 Ų | 102 | 95.2 Ų | 95.2 | 53% | 0.534 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.9 | -24.2 | 179.2 | -149.6 | 125.3 | 0 | 0 | 0 | 113.2 | T132 I134 T139 Q140 | T132-L136 PolarHBondContact O-N 3.38Å; T132-L136 VanDerWaalsContact O-N 3.13Å; I134-L136 VanDerWaalsContact C-N 3.27Å; I134-L136 PolarHBondContact O-N 3.41Å; L136-T139 WeakPolarHBondContact CA-OG1 3.36Å; L136-T139 PolarHBondContact O-OG1 3.18Å; L136-T139 VanDerWaalsContact O-OG1 3.12Å; L136-Q140 VanDerWaalsContact O-CG 3.28Å; L136-Q140 WeakPolarHBondContact O-CG 3.34Å |
| 137 | V | 70.2 | Confident | 73.6 | Confident | 73 Ų | 73 | 97.4 Ų | 97.4 | 44% | 0.442 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -82.6 | -43.5 | 174 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | T133 I134 D135 T139 Q140 L145 | T133-V137 VanDerWaalsContact O-CG2 3.3Å; T133-V137 WeakPolarHBondContact O-CG2 3.48Å; T133-V137 PolarHBondContact O-N 3.45Å; I134-V137 PolarHBondContact O-N 2.93Å; I134-V137 VanDerWaalsContact O-N 3.11Å; D135-V137 VanDerWaalsContact C-N 3.29Å; D135-V137 PolarHBondContact O-N 3.39Å; V137-T139 PolarHBondContact O-N 2.81Å; V137-Q140 WeakPolarHBondContact O-CB 3.17Å; V137-Q140 PolarHBondContact O-N 3.24Å; V137-Q140 VanDerWaalsContact O-N 3.16Å; V137-L145 HydrophobicContact CG1-CD2 4.25Å |
| 138 | L | 74.2 | Confident | 75.7 | Confident | 136 Ų | 136 | 97.3 Ų | 97.3 | 71% | 0.712 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67 | -23 | 178.9 | -69.1 | 176.4 | 0 | 0 | 0 | 113 | I134 D135 Q140 | I134-L138 HydrophobicContact CG2-CD1 3.82Å; I134-L138 HydrophobicContact CG2-CG 4.28Å; I134-L138 WeakPolarHBondContact O-CG 3.46Å; I134-L138 PolarHBondContact O-N 3.32Å; D135-L138 PolarHBondContact O-N 3.47Å; L138-Q140 VanDerWaalsContact C-N 3.33Å |
| 139 | T | 80 | Confident | 77.6 | Confident | 108 Ų | 108 | 95.8 Ų | 95.8 | 66% | 0.663 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -7.7 | 175.5 | 47.7 | 0 | 0 | 0 | 0 | 113.9 | D135 L136 V137 | D135-T139 WeakPolarHBondContact O-CB 3.28Å; D135-T139 WeakPolarHBondContact O-CG2 3.37Å; D135-T139 PolarHBondContact O-N 2.78Å; D135-T139 PolarHBondContact O-OG1 2.05Å; L136-T139 WeakPolarHBondContact CA-OG1 3.36Å; L136-T139 PolarHBondContact O-OG1 3.18Å; L136-T139 VanDerWaalsContact O-OG1 3.12Å; V137-T139 PolarHBondContact O-N 2.81Å |
| 140 | Q | 78 | Confident | 79.3 | Confident | 55 Ų | 55 | 96.6 Ų | 96.6 | 26% | 0.257 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -79.1 | 137.7 | 179.2 | -60.8 | -111.7 | -53.2 | 0 | 0 | 110.8 | L136 V137 L138 V144 L145 | L136-Q140 VanDerWaalsContact O-CG 3.28Å; L136-Q140 WeakPolarHBondContact O-CG 3.34Å; V137-Q140 WeakPolarHBondContact O-CB 3.17Å; V137-Q140 PolarHBondContact O-N 3.24Å; V137-Q140 VanDerWaalsContact O-N 3.16Å; L138-Q140 VanDerWaalsContact C-N 3.33Å; Q140-V144 VanDerWaalsContact OE1-CG1 3.3Å; Q140-L145 HydrophobicContact CB-CD1 4.27Å; Q140-L145 HydrophobicContact CB-CD2 3.8Å; Q140-L145 HydrophobicContact CB-CG 3.83Å; Q140-L145 HydrophobicContact CG-CD2 4.17Å |
| 141 | P | 82.5 | Confident | 80.9 | Confident | 75 Ų | 75 | 93.3 Ų | 93.3 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | trans | -62.1 | 141.9 | 174.8 | 23.1 | -30.7 | 0 | 0 | 0 | 110.8 | A143 V144 L145 | P141-A143 PolarHBondContact O-N 3.21Å; P141-V144 HydrophobicContact CG-CB 4.09Å; P141-V144 HydrophobicContact CG-CG2 3.67Å; P141-V144 PolarHBondContact O-N 2.89Å; P141-L145 PolarHBondContact O-N 3.39Å | ||
| 142 | P | 83.1 | Confident | 82.9 | Confident | 109 Ų | 109 | 93 Ų | 93 | 71% | 0.708 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -52.8 | -35.6 | -175 | -28.7 | 33.9 | 0 | 0 | 0 | 114.3 | V144 L145 L146 | P142-V144 VanDerWaalsContact C-N 3.34Å; P142-V144 PolarHBondContact O-N 3.02Å; P142-L145 PolarHBondContact O-N 3.07Å; P142-L146 WeakPolarHBondContact O-CB 3.37Å; P142-L146 PolarHBondContact O-N 2.73Å |
| 143 | A | 88.4 | Confident | 84.3 | Confident | 74 Ų | 74 | 89.6 Ų | 89.6 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -37.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | P141 L146 F147 | P141-A143 PolarHBondContact O-N 3.21Å; A143-L146 PolarHBondContact O-N 3.22Å; A143-F147 WeakPolarHBondContact O-CB 3.45Å; A143-F147 PolarHBondContact O-N 3.2Å |
| 144 | V | 87.8 | Confident | 85.6 | Confident | 56 Ų | 56 | 85.4 Ų | 85.4 | 34% | 0.339 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71.2 | -40.8 | 179 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | Q140 P141 P142 L146 F147 K148 | Q140-V144 VanDerWaalsContact OE1-CG1 3.3Å; P141-V144 HydrophobicContact CG-CB 4.09Å; P141-V144 HydrophobicContact CG-CG2 3.67Å; P141-V144 PolarHBondContact O-N 2.89Å; P142-V144 VanDerWaalsContact C-N 3.34Å; P142-V144 PolarHBondContact O-N 3.02Å; V144-L146 VanDerWaalsContact C-N 3.35Å; V144-F147 PolarHBondContact O-N 3.08Å; V144-K148 HydrophobicContact CG1-CD 4.12Å; V144-K148 HydrophobicContact CG1-CG 4.5Å; V144-K148 WeakPolarHBondContact O-CB 3.35Å; V144-K148 VanDerWaalsContact O-CG 3.28Å; V144-K148 WeakPolarHBondContact O-CG 3.35Å; V144-K148 PolarHBondContact O-N 3.3Å |
| 145 | L | 88.9 | Confident | 86.7 | Confident | 68 Ų | 68 | 82.1 Ų | 82.1 | 36% | 0.356 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 174.8 | -66.1 | 177.8 | 0 | 0 | 0 | 111.2 | V137 Q140 P141 P142 K148 H149 | V137-L145 HydrophobicContact CG1-CD2 4.25Å; Q140-L145 HydrophobicContact CB-CD1 4.27Å; Q140-L145 HydrophobicContact CB-CD2 3.8Å; Q140-L145 HydrophobicContact CB-CG 3.83Å; Q140-L145 HydrophobicContact CG-CD2 4.17Å; P141-L145 PolarHBondContact O-N 3.39Å; P142-L145 PolarHBondContact O-N 3.07Å; L145-K148 PolarHBondContact O-N 3.08Å; L145-H149 WeakPolarHBondContact O-CB 3.32Å; L145-H149 PolarHBondContact O-N 2.81Å |
| 146 | L | 90.8 | Very high | 87.9 | Confident | 106 Ų | 106 | 80 Ų | 80 | 56% | 0.555 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.1 | -45.7 | 177.5 | -170.2 | 124.8 | 0 | 0 | 0 | 111.9 | P142 A143 V144 H149 Y150 | P142-L146 WeakPolarHBondContact O-CB 3.37Å; P142-L146 PolarHBondContact O-N 2.73Å; A143-L146 PolarHBondContact O-N 3.22Å; V144-L146 VanDerWaalsContact C-N 3.35Å; L146-H149 PolarHBondContact O-N 3.37Å; L146-Y150 HydrophobicContact CD1-CE2 4.08Å; L146-Y150 HydrophobicContact CD2-CD2 3.8Å; L146-Y150 HydrophobicContact CD2-CE2 3.78Å; L146-Y150 HydrophobicContact CG-CD2 3.82Å; L146-Y150 HydrophobicContact CG-CE2 3.68Å; L146-Y150 VanDerWaalsContact O-CD2 3.28Å; L146-Y150 WeakPolarHBondContact O-CD2 3.45Å; L146-Y150 PolarHBondContact O-N 2.96Å |
| 147 | F | 92.7 | Very high | 89.2 | Confident | 149 Ų | 149 | 75.4 Ų | 75.4 | 65% | 0.654 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.5 | -48.5 | 174.9 | 176.8 | -97.9 | 0 | 0 | 0 | 111.6 | A143 V144 H149 Y150 A151 | A143-F147 WeakPolarHBondContact O-CB 3.45Å; A143-F147 PolarHBondContact O-N 3.2Å; V144-F147 PolarHBondContact O-N 3.08Å; F147-H149 VanDerWaalsContact C-N 3.29Å; F147-H149 PolarHBondContact O-N 3.21Å; F147-Y150 PolarHBondContact O-N 3.42Å; F147-A151 HydrophobicContact CE1-CB 4.46Å; F147-A151 WeakPolarHBondContact O-CB 3.13Å; F147-A151 PolarHBondContact O-N 2.98Å |
| 148 | K | 92.8 | Very high | 90.5 | Very high | 110 Ų | 110 | 72.5 Ų | 72.5 | 48% | 0.478 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 177.1 | -76.2 | 176.1 | 175.8 | -179.7 | 0 | 112 | V144 L145 S152 | V144-K148 HydrophobicContact CG1-CD 4.12Å; V144-K148 HydrophobicContact CG1-CG 4.5Å; V144-K148 WeakPolarHBondContact O-CB 3.35Å; V144-K148 VanDerWaalsContact O-CG 3.28Å; V144-K148 WeakPolarHBondContact O-CG 3.35Å; V144-K148 PolarHBondContact O-N 3.3Å; L145-K148 PolarHBondContact O-N 3.08Å; K148-S152 VanDerWaalsContact O-CB 3.31Å; K148-S152 WeakPolarHBondContact O-CB 3.4Å; K148-S152 PolarHBondContact O-N 3.19Å |
| 149 | H | 92.5 | Very high | 91.5 | Very high | 96 Ų | 96 | 67.9 Ų | 67.9 | 44% | 0.444 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.3 | -52.9 | 177.2 | 179.8 | 76.6 | 0 | 0 | 0 | 111.9 | L145 L146 F147 A151 S152 I153 | L145-H149 WeakPolarHBondContact O-CB 3.32Å; L145-H149 PolarHBondContact O-N 2.81Å; L146-H149 PolarHBondContact O-N 3.37Å; F147-H149 VanDerWaalsContact C-N 3.29Å; F147-H149 PolarHBondContact O-N 3.21Å; H149-A151 PolarHBondContact O-N 2.54Å; H149-S152 WeakPolarHBondContact O-CB 3.33Å; H149-S152 PolarHBondContact O-N 2.69Å; H149-I153 VanDerWaalsContact NE2-CD1 3.29Å; H149-I153 WeakPolarHBondContact NE2-CD1 3.49Å; H149-I153 WeakPolarHBondContact O-CG1 3.26Å; H149-I153 PolarHBondContact O-N 3.41Å |
| 150 | Y | 93.7 | Very high | 92.2 | Very high | 122 Ų | 122 | 65 Ų | 65 | 48% | 0.478 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.4 | -36.4 | 179.4 | -77.8 | -68.3 | 0 | 0 | 0 | 113 | L146 F147 S152 I153 A154 | L146-Y150 HydrophobicContact CD1-CE2 4.08Å; L146-Y150 HydrophobicContact CD2-CD2 3.8Å; L146-Y150 HydrophobicContact CD2-CE2 3.78Å; L146-Y150 HydrophobicContact CG-CD2 3.82Å; L146-Y150 HydrophobicContact CG-CE2 3.68Å; L146-Y150 VanDerWaalsContact O-CD2 3.28Å; L146-Y150 WeakPolarHBondContact O-CD2 3.45Å; L146-Y150 PolarHBondContact O-N 2.96Å; F147-Y150 PolarHBondContact O-N 3.42Å; Y150-S152 VanDerWaalsContact C-N 3.33Å; Y150-S152 PolarHBondContact O-N 3.29Å; Y150-I153 PolarHBondContact O-N 2.87Å; Y150-A154 WeakPolarHBondContact O-CB 3.33Å; Y150-A154 PolarHBondContact O-N 3.47Å |
| 151 | A | 94.8 | Very high | 92.9 | Very high | 44 Ų | 44 | 73.4 Ų | 73.4 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F147 H149 A154 A155 | F147-A151 HydrophobicContact CE1-CB 4.46Å; F147-A151 WeakPolarHBondContact O-CB 3.13Å; F147-A151 PolarHBondContact O-N 2.98Å; H149-A151 PolarHBondContact O-N 2.54Å; A151-A154 PolarHBondContact O-N 3.36Å; A151-A155 VanDerWaalsContact O-CB 3.31Å; A151-A155 WeakPolarHBondContact O-CB 3.42Å; A151-A155 PolarHBondContact O-N 3.02Å |
| 152 | S | 95.4 | Very high | 93.5 | Very high | 83 Ų | 83 | 73.6 Ų | 73.6 | 58% | 0.58 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.1 | -43.7 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | K148 H149 Y150 A155 G156 | K148-S152 VanDerWaalsContact O-CB 3.31Å; K148-S152 WeakPolarHBondContact O-CB 3.4Å; K148-S152 PolarHBondContact O-N 3.19Å; H149-S152 WeakPolarHBondContact O-CB 3.33Å; H149-S152 PolarHBondContact O-N 2.69Å; Y150-S152 VanDerWaalsContact C-N 3.33Å; Y150-S152 PolarHBondContact O-N 3.29Å; S152-A155 PolarHBondContact O-N 2.91Å; S152-G156 PolarHBondContact O-N 2.67Å |
| 153 | I | 96.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 68.6 Ų | 68.6 | 7% | 0.067 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 174.6 | -69.4 | 172.4 | 0 | 0 | 0 | 110.6 | H149 Y150 A155 G156 L157 L236 T237 | H149-I153 VanDerWaalsContact NE2-CD1 3.29Å; H149-I153 WeakPolarHBondContact NE2-CD1 3.49Å; H149-I153 WeakPolarHBondContact O-CG1 3.26Å; H149-I153 PolarHBondContact O-N 3.41Å; Y150-I153 PolarHBondContact O-N 2.87Å; I153-A155 PolarHBondContact O-N 3.43Å; I153-G156 PolarHBondContact O-N 3.03Å; I153-G156 VanDerWaalsContact O-N 3.15Å; I153-L157 HydrophobicContact CG2-CD1 3.98Å; I153-L157 HydrophobicContact CG2-CG 4.24Å; I153-L157 WeakPolarHBondContact O-CG 3.47Å; I153-L157 PolarHBondContact O-N 3.33Å; I153-L236 WeakPolarHBondContact CD1-O 3.16Å; I153-T237 HydrophobicContact CG2-CG2 3.9Å |
| 154 | A | 97.3 | Very high | 94.5 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 24% | 0.24 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.3 | -44 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y150 A151 G156 L157 S158 F245 | Y150-A154 WeakPolarHBondContact O-CB 3.33Å; Y150-A154 PolarHBondContact O-N 3.47Å; A151-A154 PolarHBondContact O-N 3.36Å; A154-G156 VanDerWaalsContact C-N 3.31Å; A154-G156 PolarHBondContact O-N 3.27Å; A154-L157 PolarHBondContact O-N 2.95Å; A154-S158 WeakPolarHBondContact O-CB 3.21Å; A154-S158 PolarHBondContact O-N 3.29Å; A154-S158 PolarHBondContact O-OG 3.46Å; A154-F245 HydrophobicContact CB-CE2 3.98Å; A154-F245 HydrophobicContact CB-CZ 4.16Å |
| 155 | A | 97.1 | Very high | 94.8 | Very high | 45 Ų | 45 | 69.3 Ų | 69.3 | 37% | 0.372 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A151 S152 I153 K159 A160 | A151-A155 VanDerWaalsContact O-CB 3.31Å; A151-A155 WeakPolarHBondContact O-CB 3.42Å; A151-A155 PolarHBondContact O-N 3.02Å; S152-A155 PolarHBondContact O-N 2.91Å; I153-A155 PolarHBondContact O-N 3.43Å; A155-K159 PolarHBondContact O-N 3.38Å; A155-A160 HydrophobicContact CB-CB 4.22Å; A155-A160 PolarHBondContact O-N 3.32Å; A155-A160 VanDerWaalsContact O-N 3.09Å |
| 156 | G | 97.7 | Very high | 95.2 | Very high | 28 Ų | 28 | 67.9 Ų | 67.9 | 29% | 0.289 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.7 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S152 I153 A154 K159 Q214 | S152-G156 PolarHBondContact O-N 2.67Å; I153-G156 PolarHBondContact O-N 3.03Å; I153-G156 VanDerWaalsContact O-N 3.15Å; A154-G156 VanDerWaalsContact C-N 3.31Å; A154-G156 PolarHBondContact O-N 3.27Å; G156-K159 PolarHBondContact O-N 3.46Å; G156-Q214 PolarHBondContact O-NE2 3.3Å |
| 157 | L | 98 | Very high | 95.6 | Very high | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.2 | -72.3 | 177.3 | 0 | 0 | 0 | 111.5 | I153 A154 K159 T211 Q214 V231 L232 T237 A242 F245 | I153-L157 HydrophobicContact CG2-CD1 3.98Å; I153-L157 HydrophobicContact CG2-CG 4.24Å; I153-L157 WeakPolarHBondContact O-CG 3.47Å; I153-L157 PolarHBondContact O-N 3.33Å; A154-L157 PolarHBondContact O-N 2.95Å; L157-K159 PolarHBondContact O-N 2.96Å; L157-T211 HydrophobicContact CB-CG2 4.45Å; L157-T211 HydrophobicContact CD1-CG2 4.45Å; L157-T211 HydrophobicContact CD2-CG2 4.16Å; L157-Q214 PolarHBondContact O-NE2 3.33Å; L157-V231 HydrophobicContact CD2-CG2 3.4Å; L157-V231 VanDerWaalsContact CD2-CG2 3.4Å; L157-V231 HydrophobicContact CG-CG2 3.8Å; L157-L232 HydrophobicContact CD2-CD1 4.17Å; L157-L232 HydrophobicContact CD2-CG 4.01Å; L157-T237 HydrophobicContact CD1-CG2 4.35Å; L157-T237 HydrophobicContact CD2-CG2 4.21Å; L157-A242 HydrophobicContact CD1-CB 4.18Å; L157-A242 HydrophobicContact CD2-CB 3.94Å; L157-F245 HydrophobicContact CB-CD1 4.21Å; L157-F245 HydrophobicContact CB-CE1 4.05Å; L157-F245 HydrophobicContact CD1-CB 4.39Å; L157-F245 HydrophobicContact CD1-CD1 3.87Å; L157-F245 HydrophobicContact CD1-CE1 4.42Å; L157-F245 HydrophobicContact CD1-CG 4.17Å |
| 158 | S | 97 | Very high | 95.7 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -10.7 | -177.6 | -56.1 | 0 | 0 | 0 | 0 | 114.1 | A154 A160 T163 S207 N210 F245 | A154-S158 WeakPolarHBondContact O-CB 3.21Å; A154-S158 PolarHBondContact O-N 3.29Å; A154-S158 PolarHBondContact O-OG 3.46Å; S158-A160 VanDerWaalsContact C-N 3.27Å; S158-A160 PolarHBondContact O-N 3.01Å; S158-T163 PolarHBondContact O-OG1 3.24Å; S158-S207 VanDerWaalsContact CB-OG 3.26Å; S158-S207 WeakPolarHBondContact CB-OG 3.38Å; S158-S207 WeakPolarHBondContact OG-CB 3.38Å; S158-S207 PolarHBondContact OG-OG 3.15Å; S158-N210 PolarHBondContact O-ND2 2.87Å; S158-F245 WeakPolarHBondContact OG-CZ 3.33Å |
| 159 | K | 96.1 | Very high | 95.8 | Very high | 38 Ų | 38 | 55.9 Ų | 55.9 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 54 | -166 | -60 | -176.5 | -167.6 | 160.4 | 0 | 110.5 | A155 G156 L157 R161 L162 T163 N210 N213 | A155-K159 PolarHBondContact O-N 3.38Å; G156-K159 PolarHBondContact O-N 3.46Å; L157-K159 PolarHBondContact O-N 2.96Å; K159-R161 VanDerWaalsContact C-N 3.26Å; K159-R161 PolarHBondContact O-N 2.87Å; K159-L162 HydrophobicContact CB-CB 4.17Å; K159-L162 HydrophobicContact CD-CD2 4.25Å; K159-L162 WeakPolarHBondContact O-CA 3.48Å; K159-L162 WeakPolarHBondContact O-CB 3.38Å; K159-L162 PolarHBondContact O-N 2.71Å; K159-T163 PolarHBondContact O-N 3.2Å; K159-N210 HydrophobicContact CB-CB 4.38Å; K159-N210 HydrophobicContact CD-CB 4.17Å; K159-N210 WeakPolarHBondContact CD-OD1 3.11Å; K159-N210 HydrophobicContact CG-CB 4.11Å; K159-N213 PolarHBondContact NZ-OD1 3.11Å |
| 160 | A | 94.5 | Very high | 96 | Very high | 49 Ų | 49 | 51.3 Ų | 51.3 | 41% | 0.405 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -46 | -41.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A155 S158 T163 G164 | A155-A160 HydrophobicContact CB-CB 4.22Å; A155-A160 PolarHBondContact O-N 3.32Å; A155-A160 VanDerWaalsContact O-N 3.09Å; S158-A160 VanDerWaalsContact C-N 3.27Å; S158-A160 PolarHBondContact O-N 3.01Å; A160-T163 PolarHBondContact O-N 3.4Å; A160-G164 PolarHBondContact O-N 3.04Å |
| 161 | R | 93.9 | Very high | 96.2 | Very high | 231 Ų | 231 | 48.5 Ų | 48.5 | 87% | 0.872 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 176.5 | -67.8 | 179.7 | 176.7 | 163.7 | -1.5 | 113 | K159 G164 L165 | K159-R161 VanDerWaalsContact C-N 3.26Å; K159-R161 PolarHBondContact O-N 2.87Å; R161-G164 PolarHBondContact O-N 2.85Å; R161-L165 PolarHBondContact O-N 3.15Å |
| 162 | L | 93.2 | Very high | 96.1 | Very high | 79 Ų | 79 | 48.9 Ų | 48.9 | 41% | 0.414 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.1 | -43.5 | 177.8 | -178.7 | 65.1 | 0 | 0 | 0 | 110.7 | K159 G164 L165 V166 | K159-L162 HydrophobicContact CB-CB 4.17Å; K159-L162 HydrophobicContact CD-CD2 4.25Å; K159-L162 WeakPolarHBondContact O-CA 3.48Å; K159-L162 WeakPolarHBondContact O-CB 3.38Å; K159-L162 PolarHBondContact O-N 2.71Å; L162-G164 VanDerWaalsContact C-N 3.28Å; L162-G164 PolarHBondContact O-N 2.94Å; L162-L165 WeakPolarHBondContact O-CB 3.24Å; L162-L165 PolarHBondContact O-N 3.34Å; L162-L165 VanDerWaalsContact O-N 3.09Å; L162-V166 PolarHBondContact O-N 3.02Å |
| 163 | T | 97.9 | Very high | 96 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.5 | -39.4 | 175.2 | -70.1 | 0 | 0 | 0 | 0 | 111.6 | S158 K159 A160 L165 V166 V167 T203 S206 N210 | S158-T163 PolarHBondContact O-OG1 3.24Å; K159-T163 PolarHBondContact O-N 3.2Å; A160-T163 PolarHBondContact O-N 3.4Å; T163-L165 VanDerWaalsContact C-N 3.31Å; T163-L165 PolarHBondContact O-N 2.87Å; T163-V166 WeakPolarHBondContact O-CB 3.17Å; T163-V166 PolarHBondContact O-N 3.37Å; T163-V167 HydrophobicContact CG2-CG2 4.34Å; T163-V167 VanDerWaalsContact O-CG2 3.28Å; T163-V167 WeakPolarHBondContact O-CG2 3.26Å; T163-V167 PolarHBondContact O-N 3.05Å; T163-T203 HydrophobicContact CG2-CG2 3.93Å; T163-S206 PolarHBondContact OG1-OG 3.2Å; T163-N210 PolarHBondContact OG1-ND2 3.37Å |
| 164 | G | 96.4 | Very high | 95.9 | Very high | 33 Ų | 33 | 44.5 Ų | 44.5 | 34% | 0.34 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A160 R161 L162 S168 | A160-G164 PolarHBondContact O-N 3.04Å; R161-G164 PolarHBondContact O-N 2.85Å; L162-G164 VanDerWaalsContact C-N 3.28Å; L162-G164 PolarHBondContact O-N 2.94Å; G164-S168 WeakPolarHBondContact O-CB 3.06Å; G164-S168 PolarHBondContact O-N 3.38Å; G164-S168 PolarHBondContact O-OG 3.31Å |
| 165 | L | 94 | Very high | 95.7 | Very high | 112 Ų | 112 | 45.2 Ų | 45.2 | 59% | 0.586 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 174.1 | -64.5 | 173.8 | 0 | 0 | 0 | 111.7 | R161 L162 T163 S168 T169 | R161-L165 PolarHBondContact O-N 3.15Å; L162-L165 WeakPolarHBondContact O-CB 3.24Å; L162-L165 PolarHBondContact O-N 3.34Å; L162-L165 VanDerWaalsContact O-N 3.09Å; T163-L165 VanDerWaalsContact C-N 3.31Å; T163-L165 PolarHBondContact O-N 2.87Å; L165-S168 WeakPolarHBondContact O-CB 3.36Å; L165-S168 PolarHBondContact O-N 3Å; L165-T169 WeakPolarHBondContact O-CG2 3.43Å; L165-T169 PolarHBondContact O-N 3.45Å |
| 166 | V | 97.2 | Very high | 95.3 | Very high | 38 Ų | 38 | 43.5 Ų | 43.5 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60 | -48 | 175.8 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | L162 T163 S168 T169 A170 T202 P301 | L162-V166 PolarHBondContact O-N 3.02Å; T163-V166 WeakPolarHBondContact O-CB 3.17Å; T163-V166 PolarHBondContact O-N 3.37Å; V166-S168 VanDerWaalsContact C-N 3.31Å; V166-S168 PolarHBondContact O-N 3.36Å; V166-T169 PolarHBondContact O-N 3.35Å; V166-T169 PolarHBondContact O-OG1 2.85Å; V166-A170 PolarHBondContact O-N 3.32Å; V166-A170 VanDerWaalsContact O-N 3.12Å; V166-T202 HydrophobicContact CG1-CG2 4.05Å; V166-P301 HydrophobicContact CG1-CB 3.94Å; V166-P301 HydrophobicContact CG1-CG 3.72Å |
| 167 | V | 98.3 | Very high | 95 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 176.1 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | T163 T169 A170 L171 A199 T202 T203 | T163-V167 HydrophobicContact CG2-CG2 4.34Å; T163-V167 VanDerWaalsContact O-CG2 3.28Å; T163-V167 WeakPolarHBondContact O-CG2 3.26Å; T163-V167 PolarHBondContact O-N 3.05Å; V167-T169 VanDerWaalsContact C-N 3.3Å; V167-T169 PolarHBondContact O-N 3.03Å; V167-A170 PolarHBondContact O-N 3.19Å; V167-A170 VanDerWaalsContact O-N 3.13Å; V167-L171 HydrophobicContact CG1-CD1 3.96Å; V167-L171 HydrophobicContact CG1-CG 4.23Å; V167-L171 WeakPolarHBondContact O-CG 3.44Å; V167-L171 PolarHBondContact O-N 3.34Å; V167-A199 HydrophobicContact CG1-CB 4.02Å; V167-T202 HydrophobicContact CG2-CG2 4.02Å; V167-T203 VanDerWaalsContact CG2-OG1 3.26Å; V167-T203 WeakPolarHBondContact CG2-OG1 3.17Å |
| 168 | S | 95.2 | Very high | 94.7 | Very high | 62 Ų | 62 | 43.8 Ų | 43.8 | 43% | 0.434 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 177.2 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | G164 L165 V166 A170 L171 V172 | G164-S168 WeakPolarHBondContact O-CB 3.06Å; G164-S168 PolarHBondContact O-N 3.38Å; G164-S168 PolarHBondContact O-OG 3.31Å; L165-S168 WeakPolarHBondContact O-CB 3.36Å; L165-S168 PolarHBondContact O-N 3Å; V166-S168 VanDerWaalsContact C-N 3.31Å; V166-S168 PolarHBondContact O-N 3.36Å; S168-A170 PolarHBondContact O-N 2.82Å; S168-L171 PolarHBondContact O-N 3.16Å; S168-V172 WeakPolarHBondContact O-CG2 3.47Å; S168-V172 PolarHBondContact O-N 3.49Å |
| 169 | T | 94.5 | Very high | 94.2 | Very high | 39 Ų | 39 | 44.9 Ų | 44.9 | 24% | 0.239 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 176.8 | 58.9 | 0 | 0 | 0 | 0 | 113.2 | L165 V166 V167 G173 | L165-T169 WeakPolarHBondContact O-CG2 3.43Å; L165-T169 PolarHBondContact O-N 3.45Å; V166-T169 PolarHBondContact O-N 3.35Å; V166-T169 PolarHBondContact O-OG1 2.85Å; V167-T169 VanDerWaalsContact C-N 3.3Å; V167-T169 PolarHBondContact O-N 3.03Å; T169-G173 PolarHBondContact O-N 3.19Å; T169-G173 VanDerWaalsContact O-N 3.16Å |
| 170 | A | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67 | -42.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V166 V167 S168 V172 G173 C174 T202 P301 G305 | V166-A170 PolarHBondContact O-N 3.32Å; V166-A170 VanDerWaalsContact O-N 3.12Å; V167-A170 PolarHBondContact O-N 3.19Å; V167-A170 VanDerWaalsContact O-N 3.13Å; S168-A170 PolarHBondContact O-N 2.82Å; A170-V172 VanDerWaalsContact C-N 3.34Å; A170-V172 PolarHBondContact O-N 2.89Å; A170-G173 PolarHBondContact O-N 3.16Å; A170-C174 PolarHBondContact O-N 3.31Å; A170-T202 HydrophobicContact CB-CG2 4.47Å; A170-P301 VanDerWaalsContact CA-O 3.28Å; A170-P301 WeakPolarHBondContact CA-O 3.46Å; A170-P301 HydrophobicContact CB-CB 4.37Å; A170-P301 WeakPolarHBondContact CB-O 3.37Å; A170-G305 WeakPolarHBondContact O-CA 3.47Å |
| 171 | L | 96.5 | Very high | 93.3 | Very high | 62 Ų | 62 | 45.8 Ų | 45.8 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 177.3 | -68.3 | 177.3 | 0 | 0 | 0 | 112.6 | V167 S168 C174 G175 V195 L198 A199 | V167-L171 HydrophobicContact CG1-CD1 3.96Å; V167-L171 HydrophobicContact CG1-CG 4.23Å; V167-L171 WeakPolarHBondContact O-CG 3.44Å; V167-L171 PolarHBondContact O-N 3.34Å; S168-L171 PolarHBondContact O-N 3.16Å; L171-C174 PolarHBondContact O-N 3.49Å; L171-G175 PolarHBondContact O-N 3.03Å; L171-V195 HydrophobicContact CD2-CG1 3.87Å; L171-L198 HydrophobicContact CD2-CD2 4.27Å; L171-A199 HydrophobicContact CD2-CB 4.36Å |
| 172 | V | 92.2 | Very high | 93 | Very high | 52 Ų | 52 | 38.9 Ų | 38.9 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62 | -43.5 | 172.9 | 169.5 | 0 | 0 | 0 | 0 | 111 | S168 A170 C174 G175 L176 M441 | S168-V172 WeakPolarHBondContact O-CG2 3.47Å; S168-V172 PolarHBondContact O-N 3.49Å; A170-V172 VanDerWaalsContact C-N 3.34Å; A170-V172 PolarHBondContact O-N 2.89Å; V172-C174 VanDerWaalsContact C-N 3.33Å; V172-C174 PolarHBondContact O-N 3.25Å; V172-G175 PolarHBondContact O-N 2.94Å; V172-L176 HydrophobicContact CG1-CD1 4.01Å; V172-L176 HydrophobicContact CG1-CG 4.45Å; V172-L176 WeakPolarHBondContact O-CB 3.26Å; V172-L176 WeakPolarHBondContact O-CG 3.49Å; V172-L176 PolarHBondContact O-N 3.47Å; V172-M441 HydrophobicContact CG1-SD 4.44Å |
| 173 | G | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T169 A170 A177 | T169-G173 PolarHBondContact O-N 3.19Å; T169-G173 VanDerWaalsContact O-N 3.16Å; A170-G173 PolarHBondContact O-N 3.16Å; G173-A177 VanDerWaalsContact O-CB 3.29Å; G173-A177 WeakPolarHBondContact O-CB 3.45Å; G173-A177 PolarHBondContact O-N 3.4Å; G173-A177 VanDerWaalsContact O-N 3.11Å |
| 174 | C | 95.7 | Very high | 92.8 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 176.4 | -172.2 | 0 | 0 | 0 | 0 | 112.1 | A170 L171 V172 A177 A178 L198 G305 | A170-C174 PolarHBondContact O-N 3.31Å; L171-C174 PolarHBondContact O-N 3.49Å; V172-C174 VanDerWaalsContact C-N 3.33Å; V172-C174 PolarHBondContact O-N 3.25Å; C174-A177 PolarHBondContact O-N 3.12Å; C174-A178 VanDerWaalsContact O-CB 3.29Å; C174-A178 WeakPolarHBondContact O-CB 3.28Å; C174-A178 PolarHBondContact O-N 3.23Å; C174-L198 HydrophobicContact CB-CD2 3.84Å; C174-G305 WeakPolarHBondContact CA-O 3.23Å; C174-G305 WeakPolarHBondContact CB-O 3.24Å; C174-G305 VanDerWaalsContact N-C 3.34Å; C174-G305 PolarHBondContact N-O 3.14Å |
| 175 | G | 91.9 | Very high | 92.8 | Very high | 44 Ų | 44 | 39.7 Ų | 39.7 | 45% | 0.454 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | L171 V172 S179 | L171-G175 PolarHBondContact O-N 3.03Å; V172-G175 PolarHBondContact O-N 2.94Å; G175-S179 PolarHBondContact O-N 3.48Å |
| 176 | L | 89.2 | Confident | 92.9 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 173.9 | -74.4 | 171.7 | 0 | 0 | 0 | 111 | V172 S179 T180 W306 L320 L385 V444 L445 | V172-L176 HydrophobicContact CG1-CD1 4.01Å; V172-L176 HydrophobicContact CG1-CG 4.45Å; V172-L176 WeakPolarHBondContact O-CB 3.26Å; V172-L176 WeakPolarHBondContact O-CG 3.49Å; V172-L176 PolarHBondContact O-N 3.47Å; L176-S179 PolarHBondContact O-N 2.94Å; L176-S179 PolarHBondContact O-OG 3.39Å; L176-T180 WeakPolarHBondContact O-CG2 3.23Å; L176-W306 HydrophobicContact CB-CZ3 4.22Å; L176-L320 HydrophobicContact CD1-CD2 4.1Å; L176-L385 HydrophobicContact CD2-CD1 4.27Å; L176-L385 WeakPolarHBondContact O-CD2 3.25Å; L176-V444 HydrophobicContact CD2-CG1 4.47Å; L176-L445 HydrophobicContact CD2-CD2 3.48Å; L176-L445 VanDerWaalsContact CD2-CD2 3.48Å; L176-L445 HydrophobicContact CD2-CG 4.31Å; L176-L445 HydrophobicContact CG-CD2 4.13Å |
| 177 | A | 91.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.4 | -37.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G173 C174 S179 T180 W306 A309 T310 | G173-A177 VanDerWaalsContact O-CB 3.29Å; G173-A177 WeakPolarHBondContact O-CB 3.45Å; G173-A177 PolarHBondContact O-N 3.4Å; G173-A177 VanDerWaalsContact O-N 3.11Å; C174-A177 PolarHBondContact O-N 3.12Å; A177-S179 PolarHBondContact O-N 2.78Å; A177-T180 WeakPolarHBondContact O-CB 3.46Å; A177-T180 PolarHBondContact O-N 3.27Å; A177-T180 VanDerWaalsContact O-N 3.08Å; A177-T180 PolarHBondContact O-OG1 3.48Å; A177-W306 HydrophobicContact CB-CB 4.2Å; A177-W306 HydrophobicContact CB-CD2 3.51Å; A177-W306 HydrophobicContact CB-CE3 3.8Å; A177-W306 HydrophobicContact CB-CG 3.69Å; A177-W306 HydrophobicContact CB-CZ2 4.43Å; A177-W306 HydrophobicContact CB-CZ3 4.36Å; A177-A309 HydrophobicContact CB-CB 3.74Å; A177-T310 HydrophobicContact CB-CG2 3.96Å |
| 178 | A | 91.8 | Very high | 92.7 | Very high | 38 Ų | 38 | 43.4 Ų | 43.4 | 31% | 0.314 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.7 | -21.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C174 T180 F187 A309 | C174-A178 VanDerWaalsContact O-CB 3.29Å; C174-A178 WeakPolarHBondContact O-CB 3.28Å; C174-A178 PolarHBondContact O-N 3.23Å; A178-T180 VanDerWaalsContact C-N 3.29Å; A178-F187 HydrophobicContact CB-CE1 3.73Å; A178-F187 HydrophobicContact CB-CZ 4.09Å; A178-A309 HydrophobicContact CB-CB 4.4Å |
| 179 | S | 85.3 | Confident | 92.8 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -4.6 | 175 | 73.2 | 0 | 0 | 0 | 0 | 114.2 | G175 L176 A177 M457 | G175-S179 PolarHBondContact O-N 3.48Å; L176-S179 PolarHBondContact O-N 2.94Å; L176-S179 PolarHBondContact O-OG 3.39Å; A177-S179 PolarHBondContact O-N 2.78Å; S179-M457 WeakPolarHBondContact O-CE 3.46Å |
| 180 | T | 86.2 | Confident | 92.8 | Very high | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -94.6 | 158.2 | -178.2 | 74.3 | 0 | 0 | 0 | 0 | 111.4 | L176 A177 A178 M182 V183 W306 S384 L385 | L176-T180 WeakPolarHBondContact O-CG2 3.23Å; A177-T180 WeakPolarHBondContact O-CB 3.46Å; A177-T180 PolarHBondContact O-N 3.27Å; A177-T180 VanDerWaalsContact O-N 3.08Å; A177-T180 PolarHBondContact O-OG1 3.48Å; A178-T180 VanDerWaalsContact C-N 3.29Å; T180-M182 PolarHBondContact O-N 2.78Å; T180-M182 VanDerWaalsContact O-N 3.08Å; T180-M182 WeakPolarHBondContact OG1-CB 3.39Å; T180-M182 PolarHBondContact OG1-N 3.15Å; T180-V183 WeakPolarHBondContact O-CG1 3.46Å; T180-V183 PolarHBondContact O-N 3.36Å; T180-W306 HydrophobicContact CG2-CH2 4.17Å; T180-W306 HydrophobicContact CG2-CZ2 4.36Å; T180-S384 VanDerWaalsContact CG2-O 3.26Å; T180-S384 WeakPolarHBondContact CG2-O 3.35Å; T180-L385 HydrophobicContact CG2-CD2 3.65Å; T180-L385 HydrophobicContact CG2-CG 4.48Å |
| 181 | S | 85.5 | Confident | 92.7 | Very high | 99 Ų | 99 | 52.1 Ų | 52.1 | 69% | 0.692 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -2.9 | 169.3 | 56.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 182 | M | 87.7 | Confident | 92.8 | Very high | 87 Ų | 87 | 59 Ų | 59 | 43% | 0.429 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 1 | 179 | -53.9 | -67.9 | 110.3 | 0 | 0 | 112.7 | T180 S184 T310 | T180-M182 PolarHBondContact O-N 2.78Å; T180-M182 VanDerWaalsContact O-N 3.08Å; T180-M182 WeakPolarHBondContact OG1-CB 3.39Å; T180-M182 PolarHBondContact OG1-N 3.15Å; M182-S184 PolarHBondContact O-N 3.46Å; M182-T310 HydrophobicContact CB-CG2 4.29Å; M182-T310 WeakPolarHBondContact O-CG2 3.44Å |
| 183 | V | 92.8 | Very high | 93 | Very high | 29 Ų | 29 | 59.5 Ų | 59.5 | 18% | 0.176 | 33% | 0.334 | C | S | . | . | trans | -57.6 | 134.4 | 175.3 | 66.3 | 0 | 0 | 0 | 0 | 110.2 | T180 F187 L188 | T180-V183 WeakPolarHBondContact O-CG1 3.46Å; T180-V183 PolarHBondContact O-N 3.36Å; V183-F187 HydrophobicContact CG2-CB 4.35Å; V183-F187 HydrophobicContact CG2-CD1 3.41Å; V183-F187 VanDerWaalsContact CG2-CD1 3.41Å; V183-F187 HydrophobicContact CG2-CE1 4.09Å; V183-F187 HydrophobicContact CG2-CG 4.22Å; V183-L188 HydrophobicContact CG1-CD1 4.09Å; V183-L188 HydrophobicContact CG1-CD2 4.09Å; V183-L188 HydrophobicContact CG1-CG 4.2Å; V183-L188 HydrophobicContact CG2-CD2 3.83Å; V183-L188 HydrophobicContact CG2-CG 4.06Å | ||
| 184 | S | 95.3 | Very high | 93.2 | Very high | 19 Ų | 19 | 60 Ų | 60 | 13% | 0.133 | 34% | 0.337 | C | S | . | . | trans | -78.8 | 146.7 | -176.4 | 98.8 | 0 | 0 | 0 | 0 | 111.1 | M182 E186 F187 L188 A309 | M182-S184 PolarHBondContact O-N 3.46Å; S184-E186 WeakPolarHBondContact CB-OE2 3.3Å; S184-E186 PolarHBondContact O-N 2.97Å; S184-E186 PolarHBondContact OG-N 3.46Å; S184-E186 PolarHBondContact OG-OE2 3.35Å; S184-F187 PolarHBondContact O-N 2.87Å; S184-F187 PolarHBondContact OG-N 3.09Å; S184-L188 PolarHBondContact O-N 3.34Å; S184-L188 VanDerWaalsContact O-N 3.16Å; S184-A309 PolarHBondContact N-O 2.86Å | ||
| 185 | P | 95.8 | Very high | 93.3 | Very high | 84 Ų | 84 | 62 Ų | 62 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.7 | -38.5 | 175.2 | -24.6 | 34.5 | 0 | 0 | 0 | 112.6 | F187 L188 E189 | P185-F187 VanDerWaalsContact C-N 3.31Å; P185-F187 PolarHBondContact O-N 3.11Å; P185-L188 PolarHBondContact O-N 2.79Å; P185-L188 VanDerWaalsContact O-N 3.12Å; P185-E189 WeakPolarHBondContact O-CG 3.26Å; P185-E189 PolarHBondContact O-N 3.29Å |
| 186 | E | 94.9 | Very high | 93.7 | Very high | 121 Ų | 121 | 64.7 Ų | 64.7 | 57% | 0.565 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.9 | -37.6 | 179.9 | -53.7 | 78.9 | -173.4 | 0 | 0 | 111.8 | S184 N190 | S184-E186 WeakPolarHBondContact CB-OE2 3.3Å; S184-E186 PolarHBondContact O-N 2.97Å; S184-E186 PolarHBondContact OG-N 3.46Å; S184-E186 PolarHBondContact OG-OE2 3.35Å; E186-N190 PolarHBondContact O-N 2.93Å; E186-N190 PolarHBondContact O-ND2 2.96Å |
| 187 | F | 96.9 | Very high | 94.1 | Very high | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.035 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 173.4 | 177.3 | -93.1 | 0 | 0 | 0 | 111.4 | A178 V183 S184 P185 E189 N190 C191 T194 V195 A308 A309 | A178-F187 HydrophobicContact CB-CE1 3.73Å; A178-F187 HydrophobicContact CB-CZ 4.09Å; V183-F187 HydrophobicContact CG2-CB 4.35Å; V183-F187 HydrophobicContact CG2-CD1 3.41Å; V183-F187 VanDerWaalsContact CG2-CD1 3.41Å; V183-F187 HydrophobicContact CG2-CE1 4.09Å; V183-F187 HydrophobicContact CG2-CG 4.22Å; S184-F187 PolarHBondContact O-N 2.87Å; S184-F187 PolarHBondContact OG-N 3.09Å; P185-F187 VanDerWaalsContact C-N 3.31Å; P185-F187 PolarHBondContact O-N 3.11Å; F187-E189 VanDerWaalsContact C-N 3.33Å; F187-E189 PolarHBondContact O-N 2.98Å; F187-N190 CarbonylContact O-C 3.36Å; F187-N190 PolarHBondContact O-N 3.42Å; F187-C191 HydrophobicContact CE1-CB 4.24Å; F187-C191 HydrophobicContact CZ-CB 4.38Å; F187-C191 VanDerWaalsContact CZ-SG 3.53Å; F187-C191 WeakPolarHBondContact O-CA 3.39Å; F187-C191 VanDerWaalsContact O-CB 3.29Å; F187-C191 WeakPolarHBondContact O-CB 3.41Å; F187-C191 PolarHBondContact O-N 3.36Å; F187-T194 HydrophobicContact CD2-CG2 3.78Å; F187-T194 HydrophobicContact CE2-CG2 4.07Å; F187-V195 HydrophobicContact CE2-CG2 4.16Å; F187-V195 HydrophobicContact CZ-CG2 4.21Å; F187-A308 WeakPolarHBondContact CD2-O 3.43Å; F187-A309 WeakPolarHBondContact CB-O 3.41Å; F187-A309 HydrophobicContact CD1-CB 4.44Å; F187-A309 HydrophobicContact CD2-CB 4.21Å; F187-A309 HydrophobicContact CE1-CB 4.4Å; F187-A309 HydrophobicContact CE2-CB 4.17Å; F187-A309 HydrophobicContact CG-CB 4.34Å; F187-A309 HydrophobicContact CZ-CB 4.26Å |
| 188 | L | 95.5 | Very high | 94.4 | Very high | 111 Ų | 111 | 65 Ų | 65 | 58% | 0.581 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.1 | -38.7 | 178.7 | -66.7 | 178.6 | 0 | 0 | 0 | 112.2 | V183 S184 P185 N190 | V183-L188 HydrophobicContact CG1-CD1 4.09Å; V183-L188 HydrophobicContact CG1-CD2 4.09Å; V183-L188 HydrophobicContact CG1-CG 4.2Å; V183-L188 HydrophobicContact CG2-CD2 3.83Å; V183-L188 HydrophobicContact CG2-CG 4.06Å; S184-L188 PolarHBondContact O-N 3.34Å; S184-L188 VanDerWaalsContact O-N 3.16Å; P185-L188 PolarHBondContact O-N 2.79Å; P185-L188 VanDerWaalsContact O-N 3.12Å; L188-N190 VanDerWaalsContact C-N 3.34Å |
| 189 | E | 96.4 | Very high | 94.8 | Very high | 157 Ų | 157 | 64.2 Ų | 64.2 | 73% | 0.734 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.1 | -33.8 | 176.5 | -70.6 | 177.9 | -178.4 | 0 | 0 | 112.7 | P185 F187 | P185-E189 WeakPolarHBondContact O-CG 3.26Å; P185-E189 PolarHBondContact O-N 3.29Å; F187-E189 VanDerWaalsContact C-N 3.33Å; F187-E189 PolarHBondContact O-N 2.98Å |
| 190 | N | 95.9 | Very high | 95.4 | Very high | 84 Ų | 84 | 66.8 Ų | 66.8 | 45% | 0.449 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -122.6 | 23.1 | -171.1 | -63.6 | -77.2 | 0 | 0 | 0 | 114.2 | E186 F187 L188 Y192 S193 T194 | E186-N190 PolarHBondContact O-N 2.93Å; E186-N190 PolarHBondContact O-ND2 2.96Å; F187-N190 CarbonylContact O-C 3.36Å; F187-N190 PolarHBondContact O-N 3.42Å; L188-N190 VanDerWaalsContact C-N 3.34Å; N190-Y192 PolarHBondContact O-N 3.36Å; N190-Y192 VanDerWaalsContact O-N 3.13Å; N190-S193 WeakPolarHBondContact O-CA 3.32Å; N190-S193 WeakPolarHBondContact O-CB 3.29Å; N190-S193 PolarHBondContact O-N 3.46Å; N190-T194 PolarHBondContact O-N 2.85Å; N190-T194 PolarHBondContact O-OG1 3.3Å |
| 191 | C | 95.8 | Very high | 96 | Very high | 44 Ų | 44 | 66.5 Ų | 66.5 | 30% | 0.297 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -49.2 | -50.3 | -166.1 | 179.2 | 0 | 0 | 0 | 0 | 113.5 | F187 S193 T194 V195 | F187-C191 HydrophobicContact CE1-CB 4.24Å; F187-C191 HydrophobicContact CZ-CB 4.38Å; F187-C191 VanDerWaalsContact CZ-SG 3.53Å; F187-C191 WeakPolarHBondContact O-CA 3.39Å; F187-C191 VanDerWaalsContact O-CB 3.29Å; F187-C191 WeakPolarHBondContact O-CB 3.41Å; F187-C191 PolarHBondContact O-N 3.36Å; C191-S193 PolarHBondContact O-N 3.31Å; C191-T194 PolarHBondContact O-N 2.86Å; C191-V195 WeakPolarHBondContact O-CB 3.11Å; C191-V195 VanDerWaalsContact O-CG2 3.27Å; C191-V195 WeakPolarHBondContact O-CG2 3.36Å; C191-V195 PolarHBondContact O-N 3.28Å |
| 192 | Y | 97 | Very high | 96.6 | Very high | 206 Ų | 206 | 62 Ų | 62 | 81% | 0.808 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 179.8 | -61.6 | -70.1 | 0 | 0 | 0 | 112.5 | N190 I196 | N190-Y192 PolarHBondContact O-N 3.36Å; N190-Y192 VanDerWaalsContact O-N 3.13Å; Y192-I196 WeakPolarHBondContact O-CB 3.48Å; Y192-I196 WeakPolarHBondContact O-CD1 3.32Å; Y192-I196 VanDerWaalsContact O-CG1 3.24Å; Y192-I196 WeakPolarHBondContact O-CG1 3.32Å; Y192-I196 PolarHBondContact O-N 3.39Å |
| 193 | S | 97.8 | Very high | 97.2 | Very high | 62 Ų | 62 | 60.1 Ų | 60.1 | 43% | 0.434 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 178.5 | -171.9 | 0 | 0 | 0 | 0 | 110.6 | N190 C191 V195 I196 C197 | N190-S193 WeakPolarHBondContact O-CA 3.32Å; N190-S193 WeakPolarHBondContact O-CB 3.29Å; N190-S193 PolarHBondContact O-N 3.46Å; C191-S193 PolarHBondContact O-N 3.31Å; S193-V195 PolarHBondContact O-N 3.44Å; S193-I196 PolarHBondContact O-N 3.15Å; S193-C197 WeakPolarHBondContact O-CB 3.37Å; S193-C197 PolarHBondContact O-N 3.01Å; S193-C197 PolarHBondContact O-SG 3.34Å; S193-C197 VanDerWaalsContact O-SG 3.41Å |
| 194 | T | 98.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 179.3 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | F187 N190 C191 C197 L198 V261 A308 | F187-T194 HydrophobicContact CD2-CG2 3.78Å; F187-T194 HydrophobicContact CE2-CG2 4.07Å; N190-T194 PolarHBondContact O-N 2.85Å; N190-T194 PolarHBondContact O-OG1 3.3Å; C191-T194 PolarHBondContact O-N 2.86Å; T194-C197 PolarHBondContact O-N 3.12Å; T194-L198 VanDerWaalsContact O-CB 3.23Å; T194-L198 WeakPolarHBondContact O-CB 3.41Å; T194-L198 PolarHBondContact O-N 3.26Å; T194-V261 HydrophobicContact CG2-CB 4.41Å; T194-V261 HydrophobicContact CG2-CG1 4Å; T194-V261 HydrophobicContact CG2-CG2 4.3Å; T194-A308 HydrophobicContact CG2-CB 4.33Å |
| 195 | V | 98.4 | Very high | 97.6 | Very high | 48 Ų | 48 | 60.4 Ų | 60.4 | 29% | 0.291 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 177.9 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | L171 F187 C191 S193 L198 A199 | L171-V195 HydrophobicContact CD2-CG1 3.87Å; F187-V195 HydrophobicContact CE2-CG2 4.16Å; F187-V195 HydrophobicContact CZ-CG2 4.21Å; C191-V195 WeakPolarHBondContact O-CB 3.11Å; C191-V195 VanDerWaalsContact O-CG2 3.27Å; C191-V195 WeakPolarHBondContact O-CG2 3.36Å; C191-V195 PolarHBondContact O-N 3.28Å; S193-V195 PolarHBondContact O-N 3.44Å; V195-L198 PolarHBondContact O-N 2.8Å; V195-A199 WeakPolarHBondContact O-CB 3.17Å; V195-A199 PolarHBondContact O-N 3.04Å |
| 196 | I | 98.5 | Very high | 97.8 | Very high | 99 Ų | 99 | 57 Ų | 57 | 51% | 0.508 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.6 | -46.8 | 176.5 | -69.7 | 167.2 | 0 | 0 | 0 | 110.6 | Y192 S193 L198 A199 L200 | Y192-I196 WeakPolarHBondContact O-CB 3.48Å; Y192-I196 WeakPolarHBondContact O-CD1 3.32Å; Y192-I196 VanDerWaalsContact O-CG1 3.24Å; Y192-I196 WeakPolarHBondContact O-CG1 3.32Å; Y192-I196 PolarHBondContact O-N 3.39Å; S193-I196 PolarHBondContact O-N 3.15Å; I196-L198 PolarHBondContact O-N 3.25Å; I196-A199 PolarHBondContact O-N 3.17Å; I196-L200 HydrophobicContact CG2-CD1 3.76Å; I196-L200 HydrophobicContact CG2-CG 4.28Å; I196-L200 WeakPolarHBondContact O-CB 3.47Å; I196-L200 WeakPolarHBondContact O-CG 3.22Å; I196-L200 PolarHBondContact O-N 2.95Å |
| 197 | C | 98.7 | Very high | 97.9 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 177.2 | -74.8 | 0 | 0 | 0 | 0 | 112 | S193 T194 G201 V261 | S193-C197 WeakPolarHBondContact O-CB 3.37Å; S193-C197 PolarHBondContact O-N 3.01Å; S193-C197 PolarHBondContact O-SG 3.34Å; S193-C197 VanDerWaalsContact O-SG 3.41Å; T194-C197 PolarHBondContact O-N 3.12Å; C197-G201 WeakPolarHBondContact O-CA 3.34Å; C197-G201 PolarHBondContact O-N 2.86Å; C197-V261 HydrophobicContact CB-CG2 3.8Å |
| 198 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.2 | -49.5 | 173 | 175.1 | 66.7 | 0 | 0 | 0 | 110.8 | L171 C174 T194 V195 I196 T202 L257 V261 V265 A308 | L171-L198 HydrophobicContact CD2-CD2 4.27Å; C174-L198 HydrophobicContact CB-CD2 3.84Å; T194-L198 VanDerWaalsContact O-CB 3.23Å; T194-L198 WeakPolarHBondContact O-CB 3.41Å; T194-L198 PolarHBondContact O-N 3.26Å; V195-L198 PolarHBondContact O-N 2.8Å; I196-L198 PolarHBondContact O-N 3.25Å; L198-T202 WeakPolarHBondContact O-CB 3.33Å; L198-T202 PolarHBondContact O-N 3.42Å; L198-T202 PolarHBondContact O-OG1 2.98Å; L198-L257 HydrophobicContact CD1-CD2 4.44Å; L198-V261 HydrophobicContact CB-CG2 4.13Å; L198-V265 HydrophobicContact CD1-CG1 4.18Å; L198-A308 HydrophobicContact CD1-CB 4.16Å; L198-A308 HydrophobicContact CD2-CB 3.86Å; L198-A308 HydrophobicContact CG-CB 4.42Å |
| 199 | A | 98.7 | Very high | 98.2 | Very high | 22 Ų | 22 | 46.2 Ų | 46.2 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.6 | -49.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | V167 L171 V195 I196 T203 | V167-A199 HydrophobicContact CG1-CB 4.02Å; L171-A199 HydrophobicContact CD2-CB 4.36Å; V195-A199 WeakPolarHBondContact O-CB 3.17Å; V195-A199 PolarHBondContact O-N 3.04Å; I196-A199 PolarHBondContact O-N 3.17Å; A199-T203 VanDerWaalsContact O-CB 3.31Å; A199-T203 WeakPolarHBondContact O-CB 3.47Å; A199-T203 PolarHBondContact O-N 3.43Å; A199-T203 PolarHBondContact O-OG1 3.28Å |
| 200 | L | 98.7 | Very high | 98.3 | Very high | 90 Ų | 90 | 39 Ų | 39 | 47% | 0.471 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69.8 | -44.9 | -179.4 | -66.7 | 179.6 | 0 | 0 | 0 | 111.8 | I196 T202 T203 L204 L256 | I196-L200 HydrophobicContact CG2-CD1 3.76Å; I196-L200 HydrophobicContact CG2-CG 4.28Å; I196-L200 WeakPolarHBondContact O-CB 3.47Å; I196-L200 WeakPolarHBondContact O-CG 3.22Å; I196-L200 PolarHBondContact O-N 2.95Å; L200-T202 PolarHBondContact O-N 2.98Å; L200-T203 WeakPolarHBondContact O-CB 3.48Å; L200-T203 PolarHBondContact O-N 3.4Å; L200-L204 WeakPolarHBondContact O-CB 3.34Å; L200-L204 VanDerWaalsContact O-CG 3.31Å; L200-L204 WeakPolarHBondContact O-CG 3.49Å; L200-L204 PolarHBondContact O-N 3.36Å; L200-L256 HydrophobicContact CB-CD1 4.13Å |
| 201 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C197 L204 T205 | C197-G201 WeakPolarHBondContact O-CA 3.34Å; C197-G201 PolarHBondContact O-N 2.86Å; G201-L204 PolarHBondContact O-N 3.32Å; G201-T205 WeakPolarHBondContact O-CB 3.4Å; G201-T205 WeakPolarHBondContact O-CG2 3.28Å; G201-T205 PolarHBondContact O-N 3.14Å; G201-T205 PolarHBondContact O-OG1 3.33Å |
| 202 | T | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66 | -39.9 | 173.3 | -56 | 0 | 0 | 0 | 0 | 111.5 | V166 V167 A170 L198 L200 L204 T205 S206 M304 | V166-T202 HydrophobicContact CG1-CG2 4.05Å; V167-T202 HydrophobicContact CG2-CG2 4.02Å; A170-T202 HydrophobicContact CB-CG2 4.47Å; L198-T202 WeakPolarHBondContact O-CB 3.33Å; L198-T202 PolarHBondContact O-N 3.42Å; L198-T202 PolarHBondContact O-OG1 2.98Å; L200-T202 PolarHBondContact O-N 2.98Å; T202-L204 PolarHBondContact O-N 2.95Å; T202-T205 WeakPolarHBondContact CA-OG1 3.29Å; T202-T205 PolarHBondContact O-OG1 2.92Å; T202-S206 WeakPolarHBondContact O-CB 3.39Å; T202-S206 PolarHBondContact O-N 3.48Å; T202-M304 HydrophobicContact CG2-CE 4.3Å; T202-M304 WeakPolarHBondContact OG1-CE 3.28Å |
| 203 | T | 98.8 | Very high | 98.6 | Very high | 49 Ų | 49 | 25.5 Ų | 25.5 | 30% | 0.301 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -58.5 | -49.3 | 175.2 | -63 | 0 | 0 | 0 | 0 | 110.8 | T163 V167 A199 L200 S207 | T163-T203 HydrophobicContact CG2-CG2 3.93Å; V167-T203 VanDerWaalsContact CG2-OG1 3.26Å; V167-T203 WeakPolarHBondContact CG2-OG1 3.17Å; A199-T203 VanDerWaalsContact O-CB 3.31Å; A199-T203 WeakPolarHBondContact O-CB 3.47Å; A199-T203 PolarHBondContact O-N 3.43Å; A199-T203 PolarHBondContact O-OG1 3.28Å; L200-T203 WeakPolarHBondContact O-CB 3.48Å; L200-T203 PolarHBondContact O-N 3.4Å; T203-S207 VanDerWaalsContact O-CB 3.26Å; T203-S207 WeakPolarHBondContact O-CB 3.48Å; T203-S207 PolarHBondContact O-N 3.36Å; T203-S207 PolarHBondContact O-OG 2.93Å |
| 204 | L | 98.8 | Very high | 98.7 | Very high | 44 Ų | 44 | 22.7 Ų | 22.7 | 23% | 0.23 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.8 | -45.9 | -176.5 | -71 | 165.2 | 0 | 0 | 0 | 112.1 | L200 G201 T202 S206 S207 A208 C249 L256 | L200-L204 WeakPolarHBondContact O-CB 3.34Å; L200-L204 VanDerWaalsContact O-CG 3.31Å; L200-L204 WeakPolarHBondContact O-CG 3.49Å; L200-L204 PolarHBondContact O-N 3.36Å; G201-L204 PolarHBondContact O-N 3.32Å; T202-L204 PolarHBondContact O-N 2.95Å; L204-S206 PolarHBondContact O-N 3.1Å; L204-S207 WeakPolarHBondContact O-CB 3.48Å; L204-S207 PolarHBondContact O-N 2.91Å; L204-S207 VanDerWaalsContact O-N 3.16Å; L204-A208 PolarHBondContact O-N 2.82Å; L204-C249 HydrophobicContact CB-CB 4.46Å; L204-C249 HydrophobicContact CD2-CB 4.34Å; L204-C249 WeakPolarHBondContact O-CB 3.32Å; L204-L256 HydrophobicContact CD1-CD1 3.64Å |
| 205 | T | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 6% | 0.055 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.2 | -41 | 176.8 | 51.8 | 0 | 0 | 0 | 0 | 112 | G201 T202 S207 A208 A209 L254 L257 A269 | G201-T205 WeakPolarHBondContact O-CB 3.4Å; G201-T205 WeakPolarHBondContact O-CG2 3.28Å; G201-T205 PolarHBondContact O-N 3.14Å; G201-T205 PolarHBondContact O-OG1 3.33Å; T202-T205 WeakPolarHBondContact CA-OG1 3.29Å; T202-T205 PolarHBondContact O-OG1 2.92Å; T205-S207 VanDerWaalsContact C-N 3.34Å; T205-S207 PolarHBondContact O-N 2.95Å; T205-A208 PolarHBondContact O-N 3.33Å; T205-A209 WeakPolarHBondContact O-CB 3.04Å; T205-A209 PolarHBondContact O-N 2.97Å; T205-L254 HydrophobicContact CG2-CD2 3.81Å; T205-L254 HydrophobicContact CG2-CG 4.11Å; T205-L257 HydrophobicContact CG2-CD1 4.29Å; T205-A269 HydrophobicContact CG2-CB 4.37Å |
| 206 | S | 98.6 | Very high | 98.7 | Very high | 14 Ų | 14 | 25.4 Ų | 25.4 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.2 | -39.1 | 171.6 | 178.4 | 0 | 0 | 0 | 0 | 112 | T163 T202 L204 A209 N210 | T163-S206 PolarHBondContact OG1-OG 3.2Å; T202-S206 WeakPolarHBondContact O-CB 3.39Å; T202-S206 PolarHBondContact O-N 3.48Å; L204-S206 PolarHBondContact O-N 3.1Å; S206-A209 PolarHBondContact O-N 2.82Å; S206-N210 WeakPolarHBondContact O-CB 3.39Å; S206-N210 PolarHBondContact O-N 2.88Å; S206-N210 PolarHBondContact O-ND2 3.46Å; S206-N210 PolarHBondContact OG-ND2 3.1Å |
| 207 | S | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 3% | 0.028 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 177.6 | -61 | 0 | 0 | 0 | 0 | 111.8 | S158 T203 L204 T205 T211 | S158-S207 VanDerWaalsContact CB-OG 3.26Å; S158-S207 WeakPolarHBondContact CB-OG 3.38Å; S158-S207 WeakPolarHBondContact OG-CB 3.38Å; S158-S207 PolarHBondContact OG-OG 3.15Å; T203-S207 VanDerWaalsContact O-CB 3.26Å; T203-S207 WeakPolarHBondContact O-CB 3.48Å; T203-S207 PolarHBondContact O-N 3.36Å; T203-S207 PolarHBondContact O-OG 2.93Å; L204-S207 WeakPolarHBondContact O-CB 3.48Å; L204-S207 PolarHBondContact O-N 2.91Å; L204-S207 VanDerWaalsContact O-N 3.16Å; T205-S207 VanDerWaalsContact C-N 3.34Å; T205-S207 PolarHBondContact O-N 2.95Å; S207-T211 WeakPolarHBondContact O-CB 3.28Å; S207-T211 PolarHBondContact O-N 3.14Å; S207-T211 PolarHBondContact O-OG1 2.84Å |
| 208 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61 | -50.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L204 T205 N210 T211 I212 A246 C249 T250 M273 | L204-A208 PolarHBondContact O-N 2.82Å; T205-A208 PolarHBondContact O-N 3.33Å; A208-N210 VanDerWaalsContact C-N 3.33Å; A208-N210 PolarHBondContact O-N 2.71Å; A208-T211 WeakPolarHBondContact O-CB 3.29Å; A208-T211 PolarHBondContact O-N 3.19Å; A208-T211 VanDerWaalsContact O-N 3.12Å; A208-I212 WeakPolarHBondContact O-CG1 3.29Å; A208-I212 PolarHBondContact O-N 3.38Å; A208-A246 HydrophobicContact CB-CB 4.44Å; A208-A246 WeakPolarHBondContact CB-O 3.4Å; A208-C249 HydrophobicContact CB-CB 3.9Å; A208-T250 VanDerWaalsContact CB-OG1 3.29Å; A208-T250 WeakPolarHBondContact CB-OG1 3.43Å; A208-M273 HydrophobicContact CB-SD 4.1Å |
| 209 | A | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 25.5 Ų | 25.5 | 7% | 0.074 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.2 | -44 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T205 S206 N213 M273 Y276 T277 | T205-A209 WeakPolarHBondContact O-CB 3.04Å; T205-A209 PolarHBondContact O-N 2.97Å; S206-A209 PolarHBondContact O-N 2.82Å; A209-N213 VanDerWaalsContact O-CB 3.31Å; A209-N213 WeakPolarHBondContact O-CB 3.48Å; A209-N213 PolarHBondContact O-N 3.2Å; A209-M273 HydrophobicContact CB-CG 3.99Å; A209-Y276 HydrophobicContact CB-CD1 3.75Å; A209-Y276 HydrophobicContact CB-CE1 4.31Å; A209-T277 HydrophobicContact CB-CG2 4.22Å |
| 210 | N | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.027 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.2 | -35.2 | 176.6 | -78.4 | -51.7 | 0 | 0 | 0 | 113.2 | S158 K159 T163 S206 A208 Q214 Y276 | S158-N210 PolarHBondContact O-ND2 2.87Å; K159-N210 HydrophobicContact CB-CB 4.38Å; K159-N210 HydrophobicContact CD-CB 4.17Å; K159-N210 WeakPolarHBondContact CD-OD1 3.11Å; K159-N210 HydrophobicContact CG-CB 4.11Å; T163-N210 PolarHBondContact OG1-ND2 3.37Å; S206-N210 WeakPolarHBondContact O-CB 3.39Å; S206-N210 PolarHBondContact O-N 2.88Å; S206-N210 PolarHBondContact O-ND2 3.46Å; S206-N210 PolarHBondContact OG-ND2 3.1Å; A208-N210 VanDerWaalsContact C-N 3.33Å; A208-N210 PolarHBondContact O-N 2.71Å; N210-Q214 WeakPolarHBondContact O-CG 3.42Å; N210-Q214 PolarHBondContact O-N 2.95Å; N210-Y276 PolarHBondContact OD1-OH 3.43Å; N210-Y276 VanDerWaalsContact OD1-OH 3.13Å |
| 211 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.4 | -48.8 | 176.2 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | L157 S207 A208 N213 Q214 I215 A242 F245 A246 | L157-T211 HydrophobicContact CB-CG2 4.45Å; L157-T211 HydrophobicContact CD1-CG2 4.45Å; L157-T211 HydrophobicContact CD2-CG2 4.16Å; S207-T211 WeakPolarHBondContact O-CB 3.28Å; S207-T211 PolarHBondContact O-N 3.14Å; S207-T211 PolarHBondContact O-OG1 2.84Å; A208-T211 WeakPolarHBondContact O-CB 3.29Å; A208-T211 PolarHBondContact O-N 3.19Å; A208-T211 VanDerWaalsContact O-N 3.12Å; T211-N213 VanDerWaalsContact C-N 3.32Å; T211-N213 PolarHBondContact O-N 2.7Å; T211-Q214 PolarHBondContact O-N 3.33Å; T211-Q214 VanDerWaalsContact O-N 3.11Å; T211-I215 HydrophobicContact CG2-CD1 4.17Å; T211-I215 WeakPolarHBondContact O-CG1 3.11Å; T211-I215 PolarHBondContact O-N 3.02Å; T211-A242 HydrophobicContact CG2-CB 3.83Å; T211-A242 WeakPolarHBondContact CG2-O 3.33Å; T211-F245 HydrophobicContact CG2-CD1 4.18Å; T211-F245 WeakPolarHBondContact OG1-CD1 3.26Å; T211-A246 HydrophobicContact CG2-CB 3.9Å |
| 212 | I | 98.6 | Very high | 98.3 | Very high | 49 Ų | 49 | 26.6 Ų | 26.6 | 25% | 0.251 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 177.2 | -64.4 | 163.5 | 0 | 0 | 0 | 110.4 | A208 Q214 I215 I216 A246 T277 | A208-I212 WeakPolarHBondContact O-CG1 3.29Å; A208-I212 PolarHBondContact O-N 3.38Å; I212-Q214 VanDerWaalsContact C-N 3.31Å; I212-Q214 PolarHBondContact O-N 3.4Å; I212-I215 PolarHBondContact O-N 3.35Å; I212-I215 VanDerWaalsContact O-N 3.15Å; I212-I216 HydrophobicContact CG2-CD1 3.86Å; I212-I216 HydrophobicContact CG2-CG1 4.49Å; I212-I216 WeakPolarHBondContact O-CG1 3.35Å; I212-I216 PolarHBondContact O-N 3.16Å; I212-A246 HydrophobicContact CD1-CB 4.3Å; I212-A246 HydrophobicContact CG1-CB 3.85Å; I212-T277 HydrophobicContact CB-CG2 3.73Å; I212-T277 HydrophobicContact CD1-CG2 4.13Å; I212-T277 HydrophobicContact CG2-CG2 3.71Å |
| 213 | N | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.011 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.5 | -45 | 173.7 | 170.3 | -104.6 | 0 | 0 | 0 | 111.9 | K159 A209 T211 I216 E217 Y276 T281 | K159-N213 PolarHBondContact NZ-OD1 3.11Å; A209-N213 VanDerWaalsContact O-CB 3.31Å; A209-N213 WeakPolarHBondContact O-CB 3.48Å; A209-N213 PolarHBondContact O-N 3.2Å; T211-N213 VanDerWaalsContact C-N 3.32Å; T211-N213 PolarHBondContact O-N 2.7Å; N213-I216 PolarHBondContact O-N 3.18Å; N213-E217 PolarHBondContact ND2-OE1 3.29Å; N213-E217 VanDerWaalsContact O-CB 3.32Å; N213-E217 WeakPolarHBondContact O-CB 3.37Å; N213-E217 WeakPolarHBondContact O-CG 3.26Å; N213-E217 PolarHBondContact O-N 3.49Å; N213-E217 PolarHBondContact OD1-OE2 2.96Å; N213-Y276 HydrophobicContact CB-CD1 4.38Å; N213-Y276 HydrophobicContact CB-CE1 3.65Å; N213-T281 VanDerWaalsContact ND2-CG2 3.29Å; N213-T281 WeakPolarHBondContact ND2-CG2 3.16Å; N213-T281 PolarHBondContact ND2-OG1 3.04Å |
| 214 | Q | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.1 | -34.6 | 177.5 | -71.3 | -172.3 | 65.3 | 0 | 0 | 113.1 | G156 L157 N210 T211 I212 E217 I218 L232 | G156-Q214 PolarHBondContact O-NE2 3.3Å; L157-Q214 PolarHBondContact O-NE2 3.33Å; N210-Q214 WeakPolarHBondContact O-CG 3.42Å; N210-Q214 PolarHBondContact O-N 2.95Å; T211-Q214 PolarHBondContact O-N 3.33Å; T211-Q214 VanDerWaalsContact O-N 3.11Å; I212-Q214 VanDerWaalsContact C-N 3.31Å; I212-Q214 PolarHBondContact O-N 3.4Å; Q214-E217 PolarHBondContact O-N 3.46Å; Q214-I218 WeakPolarHBondContact O-CG1 3.34Å; Q214-I218 PolarHBondContact O-N 3.31Å; Q214-L232 HydrophobicContact CB-CD1 3.87Å |
| 215 | I | 98.6 | Very high | 97.9 | Very high | 46 Ų | 46 | 29.8 Ų | 29.8 | 24% | 0.236 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 175.2 | -67.5 | 166.9 | 0 | 0 | 0 | 110.5 | T211 I212 E217 I218 L232 P239 A242 A243 | T211-I215 HydrophobicContact CG2-CD1 4.17Å; T211-I215 WeakPolarHBondContact O-CG1 3.11Å; T211-I215 PolarHBondContact O-N 3.02Å; I212-I215 PolarHBondContact O-N 3.35Å; I212-I215 VanDerWaalsContact O-N 3.15Å; I215-E217 VanDerWaalsContact C-N 3.34Å; I215-I218 WeakPolarHBondContact O-CG1 3.47Å; I215-L232 HydrophobicContact CB-CD1 4.36Å; I215-L232 HydrophobicContact CG1-CD1 3.59Å; I215-P239 HydrophobicContact CG2-CB 4.43Å; I215-A242 HydrophobicContact CD1-CB 3.88Å; I215-A242 HydrophobicContact CG1-CB 4.05Å; I215-A243 HydrophobicContact CD1-CB 4.14Å |
| 216 | I | 98.1 | Very high | 97.6 | Very high | 70 Ų | 70 | 36.2 Ų | 36.2 | 36% | 0.359 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.6 | -37.5 | 178.8 | -63.6 | 165.4 | 0 | 0 | 0 | 110.9 | I212 N213 T281 | I212-I216 HydrophobicContact CG2-CD1 3.86Å; I212-I216 HydrophobicContact CG2-CG1 4.49Å; I212-I216 WeakPolarHBondContact O-CG1 3.35Å; I212-I216 PolarHBondContact O-N 3.16Å; N213-I216 PolarHBondContact O-N 3.18Å; I216-T281 HydrophobicContact CB-CG2 4.02Å; I216-T281 HydrophobicContact CD1-CG2 4.12Å; I216-T281 HydrophobicContact CG2-CG2 3.78Å |
| 217 | E | 97.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -88.9 | 0.3 | -170.6 | -70.1 | -177.7 | 175.3 | 0 | 0 | 115.5 | N213 Q214 I215 Y220 D221 R230 T281 K284 | N213-E217 PolarHBondContact ND2-OE1 3.29Å; N213-E217 VanDerWaalsContact O-CB 3.32Å; N213-E217 WeakPolarHBondContact O-CB 3.37Å; N213-E217 WeakPolarHBondContact O-CG 3.26Å; N213-E217 PolarHBondContact O-N 3.49Å; N213-E217 PolarHBondContact OD1-OE2 2.96Å; Q214-E217 PolarHBondContact O-N 3.46Å; I215-E217 VanDerWaalsContact C-N 3.34Å; E217-Y220 PolarHBondContact O-N 3.09Å; E217-D221 WeakPolarHBondContact CB-OD2 3.4Å; E217-D221 WeakPolarHBondContact O-CB 3.37Å; E217-D221 PolarHBondContact O-N 2.63Å; E217-R230 IonicContact OE2-NH1 3.54Å; E217-R230 PolarHBondContact OE2-NH1 3.31Å; E217-T281 HydrophobicContact CG-CG2 4.01Å; E217-K284 VanDerWaalsContact CD-NZ 3.32Å; E217-K284 IonicContact OE1-NZ 2.62Å; E217-K284 PolarHBondContact OE1-NZ 2.9Å; E217-K284 IonicContact OE2-NZ 3.45Å; E217-K284 PolarHBondContact OE2-NZ 3.03Å |
| 218 | I | 98.1 | Very high | 97.4 | Very high | 43 Ų | 43 | 41.8 Ų | 41.8 | 22% | 0.221 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -43.6 | -55.2 | -176.3 | -60.5 | 175.8 | 0 | 0 | 0 | 114 | Q214 I215 Y220 D221 S222 L232 P239 | Q214-I218 WeakPolarHBondContact O-CG1 3.34Å; Q214-I218 PolarHBondContact O-N 3.31Å; I215-I218 WeakPolarHBondContact O-CG1 3.47Å; I218-Y220 VanDerWaalsContact C-N 3.25Å; I218-Y220 PolarHBondContact O-N 2.97Å; I218-D221 PolarHBondContact O-N 3Å; I218-S222 PolarHBondContact O-N 3.19Å; I218-L232 HydrophobicContact CD1-CB 4.13Å; I218-L232 HydrophobicContact CD1-CD1 4.34Å; I218-L232 HydrophobicContact CG1-CB 4.1Å; I218-P239 HydrophobicContact CD1-CG 3.82Å |
| 219 | P | 96.8 | Very high | 97.3 | Very high | 71 Ų | 71 | 47 Ų | 47 | 46% | 0.461 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.5 | -22.8 | -176.4 | 27.6 | -36.1 | 0 | 0 | 0 | 113.6 | S222 Q223 | P219-S222 PolarHBondContact O-OG 3.23Å; P219-Q223 PolarHBondContact O-NE2 2.91Å |
| 220 | Y | 97.3 | Very high | 97.2 | Very high | 76 Ų | 76 | 48.2 Ų | 48.2 | 30% | 0.298 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -89.6 | -39.2 | 179.7 | -52.5 | -65.9 | 0 | 0 | 0 | 111.2 | E217 I218 S222 Q223 Q285 A346 | E217-Y220 PolarHBondContact O-N 3.09Å; I218-Y220 VanDerWaalsContact C-N 3.25Å; I218-Y220 PolarHBondContact O-N 2.97Å; Y220-S222 VanDerWaalsContact C-N 3.25Å; Y220-S222 PolarHBondContact O-N 3.46Å; Y220-Q223 PolarHBondContact O-N 2.91Å; Y220-Q285 HydrophobicContact CD2-CG 4.35Å; Y220-Q285 HydrophobicContact CE1-CG 4.16Å; Y220-Q285 HydrophobicContact CE2-CG 3.83Å; Y220-Q285 VanDerWaalsContact CG-NE2 3.28Å; Y220-Q285 VanDerWaalsContact CZ-CD 3.5Å; Y220-A346 VanDerWaalsContact CD1-O 3.22Å; Y220-A346 WeakPolarHBondContact CD1-O 3.43Å |
| 221 | D | 97.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.011 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -32.8 | 178.9 | -82.2 | -30.6 | 0 | 0 | 0 | 111.9 | E217 I218 Q223 M224 T227 R228 R230 V233 | E217-D221 WeakPolarHBondContact CB-OD2 3.4Å; E217-D221 WeakPolarHBondContact O-CB 3.37Å; E217-D221 PolarHBondContact O-N 2.63Å; I218-D221 PolarHBondContact O-N 3Å; D221-Q223 PolarHBondContact O-N 3.43Å; D221-M224 PolarHBondContact O-N 3.43Å; D221-T227 WeakPolarHBondContact CA-OG1 3.25Å; D221-T227 CarbonylContact O-C 3.22Å; D221-T227 PolarHBondContact O-OG1 3.49Å; D221-T227 VanDerWaalsContact OD1-CB 3.27Å; D221-T227 WeakPolarHBondContact OD1-CB 3.46Å; D221-T227 PolarHBondContact OD1-OG1 3.39Å; D221-R228 WeakPolarHBondContact O-CA 3.43Å; D221-R228 PolarHBondContact O-N 3.28Å; D221-R230 IonicContact OD1-CZ 3.24Å; D221-R230 VanDerWaalsContact OD1-CZ 3.25Å; D221-R230 IonicContact OD1-NE 2.61Å; D221-R230 IonicContact OD1-NH1 3.57Å; D221-R230 PolarHBondContact OD1-NH1 2.9Å; D221-R230 VanDerWaalsContact OD1-NH1 3.09Å; D221-R230 IonicContact OD1-NH2 3.26Å; D221-R230 WeakPolarHBondContact OD2-CD 3.43Å; D221-R230 IonicContact OD2-CZ 3.25Å; D221-R230 VanDerWaalsContact OD2-CZ 3.26Å; D221-R230 IonicContact OD2-NE 3.78Å; D221-R230 IonicContact OD2-NH1 3.09Å; D221-R230 PolarHBondContact OD2-NH1 3.49Å; D221-V233 HydrophobicContact CB-CG2 3.63Å |
| 222 | S | 97.3 | Very high | 97.1 | Very high | 58 Ų | 58 | 49.2 Ų | 49.2 | 41% | 0.406 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -24.1 | 176.7 | 67.1 | 0 | 0 | 0 | 0 | 113.6 | I218 P219 Y220 | I218-S222 PolarHBondContact O-N 3.19Å; P219-S222 PolarHBondContact O-OG 3.23Å; Y220-S222 VanDerWaalsContact C-N 3.25Å; Y220-S222 PolarHBondContact O-N 3.46Å |
| 223 | Q | 96.5 | Very high | 97.1 | Very high | 74 Ų | 74 | 48.8 Ų | 48.8 | 35% | 0.346 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -8.6 | -175.4 | -60.4 | 180 | 53.1 | 0 | 0 | 113.6 | P219 Y220 D221 K345 A346 | P219-Q223 PolarHBondContact O-NE2 2.91Å; Y220-Q223 PolarHBondContact O-N 2.91Å; D221-Q223 PolarHBondContact O-N 3.43Å; Q223-K345 PolarHBondContact OE1-O 3.4Å; Q223-A346 HydrophobicContact CB-CB 4.15Å |
| 224 | M | 96.2 | Very high | 97.1 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -113.8 | 134 | -176.6 | -61.4 | 177.6 | 60.8 | 0 | 0 | 112 | D221 R226 T227 R228 M339 E342 Y343 A346 Y348 | D221-M224 PolarHBondContact O-N 3.43Å; M224-R226 PolarHBondContact O-N 3.35Å; M224-R226 VanDerWaalsContact O-N 3.12Å; M224-T227 WeakPolarHBondContact CB-OG1 3.43Å; M224-T227 PolarHBondContact O-N 3.18Å; M224-R228 WeakPolarHBondContact O-CB 3.27Å; M224-R228 PolarHBondContact O-N 2.88Å; M224-M339 HydrophobicContact CE-CE 3.75Å; M224-E342 HydrophobicContact CE-CB 4.28Å; M224-E342 HydrophobicContact CG-CB 4.28Å; M224-Y343 HydrophobicContact CE-CD1 3.77Å; M224-Y343 HydrophobicContact CE-CE1 3.59Å; M224-Y343 HydrophobicContact CE-CG 4.48Å; M224-Y343 HydrophobicContact SD-CD1 4.11Å; M224-Y343 HydrophobicContact SD-CE1 4.2Å; M224-A346 HydrophobicContact CG-CB 3.82Å; M224-A346 HydrophobicContact SD-CB 4.21Å; M224-Y348 HydrophobicContact SD-CD2 4.03Å; M224-Y348 HydrophobicContact SD-CE2 3.65Å |
| 225 | T | 95.7 | Very high | 97 | Very high | 86 Ų | 86 | 58.6 Ų | 58.6 | 53% | 0.528 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -37.9 | -176.7 | -55.4 | 0 | 0 | 0 | 0 | 113.3 | E342 | T225-E342 WeakPolarHBondContact CB-OE2 3.19Å; T225-E342 PolarHBondContact N-OE2 3.13Å; T225-E342 PolarHBondContact OG1-OE2 3.49Å |
| 226 | R | 92.2 | Very high | 96.9 | Very high | 144 Ų | 144 | 59.7 Ų | 59.7 | 54% | 0.543 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -30.9 | -178.8 | -174 | -177.1 | 63.3 | 82.7 | 1.7 | 113.4 | M224 M339 | M224-R226 PolarHBondContact O-N 3.35Å; M224-R226 VanDerWaalsContact O-N 3.12Å; R226-M339 HydrophobicContact CB-CE 4.22Å |
| 227 | T | 96.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -11.3 | -166.5 | 50.3 | 0 | 0 | 0 | 0 | 113.8 | D221 M224 N229 R230 | D221-T227 WeakPolarHBondContact CA-OG1 3.25Å; D221-T227 CarbonylContact O-C 3.22Å; D221-T227 PolarHBondContact O-OG1 3.49Å; D221-T227 VanDerWaalsContact OD1-CB 3.27Å; D221-T227 WeakPolarHBondContact OD1-CB 3.46Å; D221-T227 PolarHBondContact OD1-OG1 3.39Å; M224-T227 WeakPolarHBondContact CB-OG1 3.43Å; M224-T227 PolarHBondContact O-N 3.18Å; T227-N229 PolarHBondContact O-N 2.99Å; T227-R230 VanDerWaalsContact O-CB 3.29Å; T227-R230 WeakPolarHBondContact O-CB 3.44Å; T227-R230 VanDerWaalsContact O-CG 3.26Å; T227-R230 WeakPolarHBondContact O-CG 3.11Å; T227-R230 PolarHBondContact O-N 3.41Å |
| 228 | R | 96.9 | Very high | 96.8 | Very high | 135 Ų | 135 | 60.1 Ų | 60.1 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -23.3 | 176.3 | 70 | -179 | -172.6 | 171.6 | 4.5 | 114 | D221 M224 V233 | D221-R228 WeakPolarHBondContact O-CA 3.43Å; D221-R228 PolarHBondContact O-N 3.28Å; M224-R228 WeakPolarHBondContact O-CB 3.27Å; M224-R228 PolarHBondContact O-N 2.88Å; R228-V233 WeakPolarHBondContact O-CG1 3.37Å |
| 229 | N | 96.6 | Very high | 96.8 | Very high | 109 Ų | 109 | 61.1 Ų | 61.1 | 58% | 0.583 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 5.4 | 178.8 | -67.4 | -28.1 | 0 | 0 | 0 | 114 | T227 R234 | T227-N229 PolarHBondContact O-N 2.99Å; N229-R234 VanDerWaalsContact O-CD 3.31Å; N229-R234 WeakPolarHBondContact O-CD 3.3Å |
| 230 | R | 97.1 | Very high | 96.9 | Very high | 35 Ų | 35 | 59.9 Ų | 59.9 | 13% | 0.132 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -62.5 | 150.7 | 176.6 | -77.6 | 178.3 | -177 | -176.4 | 13.2 | 111.1 | E217 D221 T227 L232 V233 R234 | E217-R230 IonicContact OE2-NH1 3.54Å; E217-R230 PolarHBondContact OE2-NH1 3.31Å; D221-R230 IonicContact OD1-CZ 3.24Å; D221-R230 VanDerWaalsContact OD1-CZ 3.25Å; D221-R230 IonicContact OD1-NE 2.61Å; D221-R230 IonicContact OD1-NH1 3.57Å; D221-R230 PolarHBondContact OD1-NH1 2.9Å; D221-R230 VanDerWaalsContact OD1-NH1 3.09Å; D221-R230 IonicContact OD1-NH2 3.26Å; D221-R230 WeakPolarHBondContact OD2-CD 3.43Å; D221-R230 IonicContact OD2-CZ 3.25Å; D221-R230 VanDerWaalsContact OD2-CZ 3.26Å; D221-R230 IonicContact OD2-NE 3.78Å; D221-R230 IonicContact OD2-NH1 3.09Å; D221-R230 PolarHBondContact OD2-NH1 3.49Å; T227-R230 VanDerWaalsContact O-CB 3.29Å; T227-R230 WeakPolarHBondContact O-CB 3.44Å; T227-R230 VanDerWaalsContact O-CG 3.26Å; T227-R230 WeakPolarHBondContact O-CG 3.11Å; T227-R230 PolarHBondContact O-N 3.41Å; R230-L232 VanDerWaalsContact C-N 3.3Å; R230-L232 PolarHBondContact O-N 3Å; R230-V233 HydrophobicContact CB-CG2 4.2Å; R230-V233 PolarHBondContact O-N 3.26Å; R230-V233 VanDerWaalsContact O-N 3.16Å; R230-R234 WeakPolarHBondContact O-CG 3.49Å; R230-R234 PolarHBondContact O-N 3.45Å |
| 231 | V | 97.4 | Very high | 96.9 | Very high | 14 Ų | 14 | 63.4 Ų | 63.4 | 9% | 0.085 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -39.6 | -173.8 | -66 | 0 | 0 | 0 | 0 | 113.5 | L157 G235 L236 | L157-V231 HydrophobicContact CD2-CG2 3.4Å; L157-V231 VanDerWaalsContact CD2-CG2 3.4Å; L157-V231 HydrophobicContact CG-CG2 3.8Å; V231-G235 PolarHBondContact O-N 2.93Å; V231-L236 HydrophobicContact CG1-CD1 4.43Å; V231-L236 PolarHBondContact O-N 3.04Å |
| 232 | L | 98.2 | Very high | 97 | Very high | 12 Ų | 12 | 63.3 Ų | 63.3 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -37.8 | 179 | -75.2 | 175.9 | 0 | 0 | 0 | 112.9 | L157 Q214 I215 I218 R230 R234 G235 T237 A242 | L157-L232 HydrophobicContact CD2-CD1 4.17Å; L157-L232 HydrophobicContact CD2-CG 4.01Å; Q214-L232 HydrophobicContact CB-CD1 3.87Å; I215-L232 HydrophobicContact CB-CD1 4.36Å; I215-L232 HydrophobicContact CG1-CD1 3.59Å; I218-L232 HydrophobicContact CD1-CB 4.13Å; I218-L232 HydrophobicContact CD1-CD1 4.34Å; I218-L232 HydrophobicContact CG1-CB 4.1Å; R230-L232 VanDerWaalsContact C-N 3.3Å; R230-L232 PolarHBondContact O-N 3Å; L232-R234 VanDerWaalsContact C-N 3.3Å; L232-R234 PolarHBondContact O-N 3.13Å; L232-G235 PolarHBondContact O-N 2.94Å; L232-G235 VanDerWaalsContact O-N 3.15Å; L232-T237 HydrophobicContact CD2-CG2 3.68Å; L232-T237 WeakPolarHBondContact CD2-O 3.49Å; L232-T237 HydrophobicContact CG-CG2 4.43Å; L232-A242 HydrophobicContact CD1-CB 4.11Å; L232-A242 HydrophobicContact CD2-CB 3.88Å; L232-A242 HydrophobicContact CG-CB 4.44Å |
| 233 | V | 97.9 | Very high | 97.1 | Very high | 39 Ų | 39 | 62.4 Ų | 62.4 | 24% | 0.236 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -38.9 | 176.8 | 178 | 0 | 0 | 0 | 0 | 110.9 | D221 R228 R230 G235 | D221-V233 HydrophobicContact CB-CG2 3.63Å; R228-V233 WeakPolarHBondContact O-CG1 3.37Å; R230-V233 HydrophobicContact CB-CG2 4.2Å; R230-V233 PolarHBondContact O-N 3.26Å; R230-V233 VanDerWaalsContact O-N 3.16Å; V233-G235 PolarHBondContact O-N 3.23Å |
| 234 | R | 97.5 | Very high | 97.2 | Very high | 151 Ų | 151 | 64.1 Ų | 64.1 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -4 | 177.1 | -68.7 | -175.8 | 64 | -161.5 | -1.2 | 114.1 | N229 R230 L232 L236 | N229-R234 VanDerWaalsContact O-CD 3.31Å; N229-R234 WeakPolarHBondContact O-CD 3.3Å; R230-R234 WeakPolarHBondContact O-CG 3.49Å; R230-R234 PolarHBondContact O-N 3.45Å; L232-R234 VanDerWaalsContact C-N 3.3Å; L232-R234 PolarHBondContact O-N 3.13Å; R234-L236 HydrophobicContact CB-CD1 4.43Å; R234-L236 HydrophobicContact CB-CG 3.97Å; R234-L236 PolarHBondContact O-N 2.99Å |
| 235 | G | 96.8 | Very high | 97.3 | Very high | 59 Ų | 59 | 66.6 Ų | 66.6 | 61% | 0.608 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 21.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V231 L232 V233 T237 | V231-G235 PolarHBondContact O-N 2.93Å; L232-G235 PolarHBondContact O-N 2.94Å; L232-G235 VanDerWaalsContact O-N 3.15Å; V233-G235 PolarHBondContact O-N 3.23Å; G235-T237 PolarHBondContact O-N 3.36Å |
| 236 | L | 96.4 | Very high | 97.4 | Very high | 70 Ų | 70 | 62.7 Ų | 62.7 | 37% | 0.366 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -69 | -19.5 | 177.7 | -62.1 | -179.9 | 0 | 0 | 0 | 112.4 | I153 V231 R234 | I153-L236 WeakPolarHBondContact CD1-O 3.16Å; V231-L236 HydrophobicContact CG1-CD1 4.43Å; V231-L236 PolarHBondContact O-N 3.04Å; R234-L236 HydrophobicContact CB-CD1 4.43Å; R234-L236 HydrophobicContact CB-CG 3.97Å; R234-L236 PolarHBondContact O-N 2.99Å |
| 237 | T | 97.1 | Very high | 97.7 | Very high | 14 Ų | 14 | 61.4 Ų | 61.4 | 9% | 0.086 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -148.4 | 160.1 | 168.9 | -168.6 | 0 | 0 | 0 | 0 | 109.1 | I153 L157 L232 G235 R241 | I153-T237 HydrophobicContact CG2-CG2 3.9Å; L157-T237 HydrophobicContact CD1-CG2 4.35Å; L157-T237 HydrophobicContact CD2-CG2 4.21Å; L232-T237 HydrophobicContact CD2-CG2 3.68Å; L232-T237 WeakPolarHBondContact CD2-O 3.49Å; L232-T237 HydrophobicContact CG-CG2 4.43Å; G235-T237 PolarHBondContact O-N 3.36Å; T237-R241 WeakPolarHBondContact OG1-CB 3.35Å |
| 238 | T | 97.8 | Very high | 97.8 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | trans | -87.3 | 153.4 | 179.8 | 67.2 | 0 | 0 | 0 | 0 | 111.2 | G240 R241 A242 | T238-G240 PolarHBondContact O-N 3.49Å; T238-R241 PolarHBondContact O-N 3.37Å; T238-R241 VanDerWaalsContact O-N 3.15Å; T238-R241 WeakPolarHBondContact OG1-CG 3.21Å; T238-R241 PolarHBondContact OG1-N 3.2Å; T238-A242 PolarHBondContact O-N 3.44Å | ||
| 239 | P | 98.2 | Very high | 97.9 | Very high | 64 Ų | 64 | 58.3 Ų | 58.3 | 42% | 0.416 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -54.6 | -36.9 | 173.5 | -27.7 | 35.8 | 0 | 0 | 0 | 113.2 | I215 I218 A242 A243 | I215-P239 HydrophobicContact CG2-CB 4.43Å; I218-P239 HydrophobicContact CD1-CG 3.82Å; P239-A242 PolarHBondContact O-N 3.11Å; P239-A243 WeakPolarHBondContact O-CB 3.37Å; P239-A243 PolarHBondContact O-N 2.91Å |
| 240 | G | 98.4 | Very high | 98 | Very high | 45 Ų | 45 | 54.5 Ų | 54.5 | 46% | 0.464 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T238 A242 A243 L244 | T238-G240 PolarHBondContact O-N 3.49Å; G240-A242 VanDerWaalsContact C-N 3.35Å; G240-A243 PolarHBondContact O-N 3.16Å; G240-L244 WeakPolarHBondContact O-CG 3.35Å; G240-L244 PolarHBondContact O-N 3.05Å |
| 241 | R | 98.1 | Very high | 98.1 | Very high | 150 Ų | 150 | 54.7 Ų | 54.7 | 57% | 0.566 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.3 | -39.2 | 174.9 | -72.1 | 175.6 | -176 | 173 | 2 | 111.7 | T237 T238 A243 L244 F245 | T237-R241 WeakPolarHBondContact OG1-CB 3.35Å; T238-R241 PolarHBondContact O-N 3.37Å; T238-R241 VanDerWaalsContact O-N 3.15Å; T238-R241 WeakPolarHBondContact OG1-CG 3.21Å; T238-R241 PolarHBondContact OG1-N 3.2Å; R241-A243 VanDerWaalsContact C-N 3.35Å; R241-L244 PolarHBondContact O-N 2.9Å; R241-F245 PolarHBondContact O-N 3.19Å |
| 242 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L157 T211 I215 L232 T238 P239 G240 F245 A246 | L157-A242 HydrophobicContact CD1-CB 4.18Å; L157-A242 HydrophobicContact CD2-CB 3.94Å; T211-A242 HydrophobicContact CG2-CB 3.83Å; T211-A242 WeakPolarHBondContact CG2-O 3.33Å; I215-A242 HydrophobicContact CD1-CB 3.88Å; I215-A242 HydrophobicContact CG1-CB 4.05Å; L232-A242 HydrophobicContact CD1-CB 4.11Å; L232-A242 HydrophobicContact CD2-CB 3.88Å; L232-A242 HydrophobicContact CG-CB 4.44Å; T238-A242 PolarHBondContact O-N 3.44Å; P239-A242 PolarHBondContact O-N 3.11Å; G240-A242 VanDerWaalsContact C-N 3.35Å; A242-F245 WeakPolarHBondContact O-CB 3.13Å; A242-F245 PolarHBondContact O-N 2.84Å; A242-A246 PolarHBondContact O-N 2.72Å |
| 243 | A | 98.6 | Very high | 98.2 | Very high | 38 Ų | 38 | 55.9 Ų | 55.9 | 31% | 0.314 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I215 P239 G240 R241 F245 A246 M247 | I215-A243 HydrophobicContact CD1-CB 4.14Å; P239-A243 WeakPolarHBondContact O-CB 3.37Å; P239-A243 PolarHBondContact O-N 2.91Å; G240-A243 PolarHBondContact O-N 3.16Å; R241-A243 VanDerWaalsContact C-N 3.35Å; A243-F245 VanDerWaalsContact C-N 3.35Å; A243-F245 PolarHBondContact O-N 3.4Å; A243-A246 PolarHBondContact O-N 3.34Å; A243-M247 WeakPolarHBondContact O-CG 3.18Å; A243-M247 PolarHBondContact O-N 2.78Å |
| 244 | L | 98.5 | Very high | 98.2 | Very high | 111 Ų | 111 | 55.8 Ų | 55.8 | 58% | 0.581 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59 | -45.1 | 172.9 | -70.1 | 170.7 | 0 | 0 | 0 | 111.7 | G240 R241 A246 M247 A248 | G240-L244 WeakPolarHBondContact O-CG 3.35Å; G240-L244 PolarHBondContact O-N 3.05Å; R241-L244 PolarHBondContact O-N 2.9Å; L244-A246 VanDerWaalsContact C-N 3.35Å; L244-A246 PolarHBondContact O-N 2.81Å; L244-M247 HydrophobicContact CD2-CE 3.69Å; L244-M247 HydrophobicContact CG-CE 4.45Å; L244-M247 PolarHBondContact O-N 3.45Å; L244-A248 WeakPolarHBondContact O-CB 3.42Å; L244-A248 PolarHBondContact O-N 3.38Å |
| 245 | F | 98.5 | Very high | 98.3 | Very high | 54 Ų | 54 | 51.3 Ų | 51.3 | 24% | 0.237 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 174.8 | 175.5 | -99.6 | 0 | 0 | 0 | 112 | A154 L157 S158 T211 R241 A242 A243 A248 C249 | A154-F245 HydrophobicContact CB-CE2 3.98Å; A154-F245 HydrophobicContact CB-CZ 4.16Å; L157-F245 HydrophobicContact CB-CD1 4.21Å; L157-F245 HydrophobicContact CB-CE1 4.05Å; L157-F245 HydrophobicContact CD1-CB 4.39Å; L157-F245 HydrophobicContact CD1-CD1 3.87Å; L157-F245 HydrophobicContact CD1-CE1 4.42Å; L157-F245 HydrophobicContact CD1-CG 4.17Å; S158-F245 WeakPolarHBondContact OG-CZ 3.33Å; T211-F245 HydrophobicContact CG2-CD1 4.18Å; T211-F245 WeakPolarHBondContact OG1-CD1 3.26Å; R241-F245 PolarHBondContact O-N 3.19Å; A242-F245 WeakPolarHBondContact O-CB 3.13Å; A242-F245 PolarHBondContact O-N 2.84Å; A243-F245 VanDerWaalsContact C-N 3.35Å; A243-F245 PolarHBondContact O-N 3.4Å; F245-A248 PolarHBondContact O-N 3.16Å; F245-C249 WeakPolarHBondContact CZ-SG 3.05Å; F245-C249 WeakPolarHBondContact O-CB 3.32Å; F245-C249 PolarHBondContact O-N 2.96Å; F245-C249 PolarHBondContact O-SG 3.32Å |
| 246 | A | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A208 T211 I212 A242 A243 L244 C249 T250 | A208-A246 HydrophobicContact CB-CB 4.44Å; A208-A246 WeakPolarHBondContact CB-O 3.4Å; T211-A246 HydrophobicContact CG2-CB 3.9Å; I212-A246 HydrophobicContact CD1-CB 4.3Å; I212-A246 HydrophobicContact CG1-CB 3.85Å; A242-A246 PolarHBondContact O-N 2.72Å; A243-A246 PolarHBondContact O-N 3.34Å; L244-A246 VanDerWaalsContact C-N 3.35Å; L244-A246 PolarHBondContact O-N 2.81Å; A246-C249 PolarHBondContact O-N 3.35Å; A246-T250 WeakPolarHBondContact O-CB 3.45Å; A246-T250 PolarHBondContact O-N 3.46Å; A246-T250 PolarHBondContact O-OG1 2.99Å |
| 247 | M | 98.6 | Very high | 98.5 | Very high | 118 Ų | 118 | 48 Ų | 48 | 58% | 0.581 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.3 | -44.4 | 176.1 | -72.5 | -170.6 | -63.2 | 0 | 0 | 111.6 | A243 L244 T250 G251 | A243-M247 WeakPolarHBondContact O-CG 3.18Å; A243-M247 PolarHBondContact O-N 2.78Å; L244-M247 HydrophobicContact CD2-CE 3.69Å; L244-M247 HydrophobicContact CG-CE 4.45Å; L244-M247 PolarHBondContact O-N 3.45Å; M247-T250 PolarHBondContact O-N 3.49Å; M247-G251 PolarHBondContact O-N 3.18Å |
| 248 | A | 98.6 | Very high | 98.6 | Very high | 63 Ų | 63 | 53.3 Ų | 53.3 | 52% | 0.521 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61 | -46 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L244 F245 T250 G251 S252 | L244-A248 WeakPolarHBondContact O-CB 3.42Å; L244-A248 PolarHBondContact O-N 3.38Å; F245-A248 PolarHBondContact O-N 3.16Å; A248-T250 VanDerWaalsContact C-N 3.34Å; A248-T250 PolarHBondContact O-N 3.16Å; A248-G251 PolarHBondContact O-N 2.91Å; A248-S252 WeakPolarHBondContact O-CB 3.49Å; A248-S252 PolarHBondContact O-N 3.36Å; A248-S252 PolarHBondContact O-OG 3.41Å |
| 249 | C | 98.7 | Very high | 98.6 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 175.9 | -69.8 | 0 | 0 | 0 | 0 | 112.4 | L204 A208 F245 A246 S252 G253 | L204-C249 HydrophobicContact CB-CB 4.46Å; L204-C249 HydrophobicContact CD2-CB 4.34Å; L204-C249 WeakPolarHBondContact O-CB 3.32Å; A208-C249 HydrophobicContact CB-CB 3.9Å; F245-C249 WeakPolarHBondContact CZ-SG 3.05Å; F245-C249 WeakPolarHBondContact O-CB 3.32Å; F245-C249 PolarHBondContact O-N 2.96Å; F245-C249 PolarHBondContact O-SG 3.32Å; A246-C249 PolarHBondContact O-N 3.35Å; C249-S252 PolarHBondContact O-OG 3.28Å; C249-G253 WeakPolarHBondContact O-CA 3.33Å; C249-G253 PolarHBondContact O-N 2.9Å |
| 250 | T | 98.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 56 Ų | 56 | 18% | 0.184 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.9 | -53.7 | 176.2 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | A208 A246 M247 A248 L254 M273 | A208-T250 VanDerWaalsContact CB-OG1 3.29Å; A208-T250 WeakPolarHBondContact CB-OG1 3.43Å; A246-T250 WeakPolarHBondContact O-CB 3.45Å; A246-T250 PolarHBondContact O-N 3.46Å; A246-T250 PolarHBondContact O-OG1 2.99Å; M247-T250 PolarHBondContact O-N 3.49Å; A248-T250 VanDerWaalsContact C-N 3.34Å; A248-T250 PolarHBondContact O-N 3.16Å; T250-L254 HydrophobicContact CG2-CD1 3.88Å; T250-L254 HydrophobicContact CG2-CG 4.5Å; T250-L254 WeakPolarHBondContact O-CB 3.28Å; T250-L254 WeakPolarHBondContact O-CG 3.49Å; T250-L254 PolarHBondContact O-N 2.98Å; T250-M273 HydrophobicContact CG2-CE 3.62Å; T250-M273 HydrophobicContact CG2-SD 4.16Å |
| 251 | G | 98.7 | Very high | 98.6 | Very high | 39 Ų | 39 | 54.9 Ų | 54.9 | 40% | 0.402 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.8 | -49.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M247 A248 S255 | M247-G251 PolarHBondContact O-N 3.18Å; A248-G251 PolarHBondContact O-N 2.91Å; G251-S255 VanDerWaalsContact O-CB 3.25Å; G251-S255 WeakPolarHBondContact O-CB 3.36Å; G251-S255 PolarHBondContact O-N 3.43Å; G251-S255 VanDerWaalsContact O-N 3.07Å; G251-S255 PolarHBondContact O-OG 2.87Å |
| 252 | S | 98.7 | Very high | 98.6 | Very high | 50 Ų | 50 | 49 Ų | 49 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 178.3 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | A248 C249 S255 L256 | A248-S252 WeakPolarHBondContact O-CB 3.49Å; A248-S252 PolarHBondContact O-N 3.36Å; A248-S252 PolarHBondContact O-OG 3.41Å; C249-S252 PolarHBondContact O-OG 3.28Å; S252-S255 PolarHBondContact O-N 3Å; S252-L256 WeakPolarHBondContact O-CB 3.47Å; S252-L256 WeakPolarHBondContact O-CG 3.47Å; S252-L256 PolarHBondContact O-N 3.21Å |
| 253 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.1 | -48.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | C249 S255 L256 L257 | C249-G253 WeakPolarHBondContact O-CA 3.33Å; C249-G253 PolarHBondContact O-N 2.9Å; G253-S255 VanDerWaalsContact C-N 3.35Å; G253-L256 PolarHBondContact O-N 3.34Å; G253-L257 WeakPolarHBondContact O-CG 3.47Å; G253-L257 PolarHBondContact O-N 3.31Å; G253-L257 VanDerWaalsContact O-N 3.14Å |
| 254 | L | 98.8 | Very high | 98.5 | Very high | 37 Ų | 37 | 53.4 Ų | 53.4 | 19% | 0.194 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.9 | -36 | 176.9 | -66.9 | 178.1 | 0 | 0 | 0 | 112 | T205 T250 L257 Y258 T266 A269 A270 | T205-L254 HydrophobicContact CG2-CD2 3.81Å; T205-L254 HydrophobicContact CG2-CG 4.11Å; T250-L254 HydrophobicContact CG2-CD1 3.88Å; T250-L254 HydrophobicContact CG2-CG 4.5Å; T250-L254 WeakPolarHBondContact O-CB 3.28Å; T250-L254 WeakPolarHBondContact O-CG 3.49Å; T250-L254 PolarHBondContact O-N 2.98Å; L254-L257 PolarHBondContact O-N 3.25Å; L254-Y258 VanDerWaalsContact O-CB 3.3Å; L254-Y258 WeakPolarHBondContact O-CB 3.24Å; L254-Y258 PolarHBondContact O-N 3.43Å; L254-T266 HydrophobicContact CB-CG2 4.29Å; L254-T266 HydrophobicContact CD2-CG2 4.1Å; L254-A269 HydrophobicContact CD2-CB 4.1Å; L254-A270 HydrophobicContact CD1-CB 4.47Å; L254-A270 HydrophobicContact CD2-CB 4.12Å |
| 255 | S | 98.8 | Very high | 98.5 | Very high | 57 Ų | 57 | 48.1 Ų | 48.1 | 40% | 0.399 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 175.6 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | G251 S252 G253 L257 Y258 F259 | G251-S255 VanDerWaalsContact O-CB 3.25Å; G251-S255 WeakPolarHBondContact O-CB 3.36Å; G251-S255 PolarHBondContact O-N 3.43Å; G251-S255 VanDerWaalsContact O-N 3.07Å; G251-S255 PolarHBondContact O-OG 2.87Å; S252-S255 PolarHBondContact O-N 3Å; G253-S255 VanDerWaalsContact C-N 3.35Å; S255-L257 VanDerWaalsContact C-N 3.33Å; S255-L257 PolarHBondContact O-N 2.86Å; S255-Y258 PolarHBondContact O-N 3.46Å; S255-F259 VanDerWaalsContact O-CD2 3.24Å; S255-F259 WeakPolarHBondContact O-CD2 3.27Å; S255-F259 PolarHBondContact O-N 2.89Å |
| 256 | L | 98.6 | Very high | 98.6 | Very high | 60 Ų | 60 | 46.4 Ų | 46.4 | 31% | 0.314 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 176.4 | -79.3 | 169.8 | 0 | 0 | 0 | 112.3 | L200 L204 S252 G253 G260 | L200-L256 HydrophobicContact CB-CD1 4.13Å; L204-L256 HydrophobicContact CD1-CD1 3.64Å; S252-L256 WeakPolarHBondContact O-CB 3.47Å; S252-L256 WeakPolarHBondContact O-CG 3.47Å; S252-L256 PolarHBondContact O-N 3.21Å; G253-L256 PolarHBondContact O-N 3.34Å; L256-G260 VanDerWaalsContact O-CA 3.28Å; L256-G260 WeakPolarHBondContact O-CA 3.46Å; L256-G260 PolarHBondContact O-N 3.03Å |
| 257 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.9 | -38.1 | 176.2 | -65 | 176.3 | 0 | 0 | 0 | 111.7 | L198 T205 G253 L254 S255 V261 N262 V265 T266 A269 M304 | L198-L257 HydrophobicContact CD1-CD2 4.44Å; T205-L257 HydrophobicContact CG2-CD1 4.29Å; G253-L257 WeakPolarHBondContact O-CG 3.47Å; G253-L257 PolarHBondContact O-N 3.31Å; G253-L257 VanDerWaalsContact O-N 3.14Å; L254-L257 PolarHBondContact O-N 3.25Å; S255-L257 VanDerWaalsContact C-N 3.33Å; S255-L257 PolarHBondContact O-N 2.86Å; L257-V261 HydrophobicContact CD2-CG2 3.95Å; L257-V261 CarbonylContact O-C 3.59Å; L257-V261 WeakPolarHBondContact O-CA 3.39Å; L257-V261 VanDerWaalsContact O-CB 3.29Å; L257-V261 WeakPolarHBondContact O-CB 3.4Å; L257-V261 PolarHBondContact O-N 3.05Å; L257-N262 PolarHBondContact O-N 2.66Å; L257-V265 HydrophobicContact CB-CG1 4.47Å; L257-V265 HydrophobicContact CD1-CG1 4.34Å; L257-V265 HydrophobicContact CD2-CG1 3.92Å; L257-V265 HydrophobicContact CG-CG1 4.46Å; L257-T266 WeakPolarHBondContact CB-OG1 3.41Å; L257-T266 PolarHBondContact O-OG1 3.43Å; L257-A269 HydrophobicContact CD1-CB 3.45Å; L257-A269 VanDerWaalsContact CD1-CB 3.45Å; L257-M304 HydrophobicContact CD1-CE 4.2Å |
| 258 | Y | 98.7 | Very high | 98.6 | Very high | 125 Ų | 125 | 44.7 Ų | 44.7 | 49% | 0.49 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.8 | -48.8 | -177 | -173.7 | -93.7 | 0 | 0 | 0 | 112.2 | L254 S255 P263 T266 | L254-Y258 VanDerWaalsContact O-CB 3.3Å; L254-Y258 WeakPolarHBondContact O-CB 3.24Å; L254-Y258 PolarHBondContact O-N 3.43Å; S255-Y258 PolarHBondContact O-N 3.46Å; Y258-P263 HydrophobicContact CD2-CB 4.43Å; Y258-P263 HydrophobicContact CD2-CG 4.37Å; Y258-P263 HydrophobicContact CE2-CB 4.15Å; Y258-P263 HydrophobicContact CE2-CG 3.96Å; Y258-T266 WeakPolarHBondContact CA-OG1 3.43Å; Y258-T266 HydrophobicContact CD2-CG2 4.33Å; Y258-T266 PolarHBondContact N-OG1 3.17Å |
| 259 | F | 98.1 | Very high | 98.6 | Very high | 171 Ų | 171 | 41.8 Ų | 41.8 | 75% | 0.75 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -85.6 | -30 | -177.4 | -64.9 | -65.8 | 0 | 0 | 0 | 113.4 | S255 | S255-F259 VanDerWaalsContact O-CD2 3.24Å; S255-F259 WeakPolarHBondContact O-CD2 3.27Å; S255-F259 PolarHBondContact O-N 2.89Å |
| 260 | G | 97.8 | Very high | 98.6 | Very high | 18 Ų | 18 | 42.8 Ų | 42.8 | 19% | 0.186 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -102.1 | -13.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L256 | L256-G260 VanDerWaalsContact O-CA 3.28Å; L256-G260 WeakPolarHBondContact O-CA 3.46Å; L256-G260 PolarHBondContact O-N 3.03Å |
| 261 | V | 98.3 | Very high | 98.6 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 13% | 0.127 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -82.4 | -179.1 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | T194 C197 L198 L257 V265 A308 | T194-V261 HydrophobicContact CG2-CB 4.41Å; T194-V261 HydrophobicContact CG2-CG1 4Å; T194-V261 HydrophobicContact CG2-CG2 4.3Å; C197-V261 HydrophobicContact CB-CG2 3.8Å; L198-V261 HydrophobicContact CB-CG2 4.13Å; L257-V261 HydrophobicContact CD2-CG2 3.95Å; L257-V261 CarbonylContact O-C 3.59Å; L257-V261 WeakPolarHBondContact O-CA 3.39Å; L257-V261 VanDerWaalsContact O-CB 3.29Å; L257-V261 WeakPolarHBondContact O-CB 3.4Å; L257-V261 PolarHBondContact O-N 3.05Å; V261-V265 HydrophobicContact CB-CB 4.49Å; V261-V265 HydrophobicContact CG1-CB 3.89Å; V261-V265 HydrophobicContact CG1-CG1 4.06Å; V261-V265 HydrophobicContact CG1-CG2 3.72Å; V261-A308 HydrophobicContact CG1-CB 3.47Å; V261-A308 VanDerWaalsContact CG1-CB 3.47Å |
| 262 | N | 98 | Very high | 98.6 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | trans | 179.9 | 163.6 | 171.4 | 54.3 | 69.1 | 0 | 0 | 0 | 111 | L257 L264 V265 T266 A307 | L257-N262 PolarHBondContact O-N 2.66Å; N262-L264 VanDerWaalsContact C-N 3.3Å; N262-L264 PolarHBondContact O-N 3.06Å; N262-L264 WeakPolarHBondContact OD1-CB 3.36Å; N262-L264 PolarHBondContact OD1-N 3.05Å; N262-V265 PolarHBondContact O-N 3.39Å; N262-V265 WeakPolarHBondContact OD1-CG2 3.45Å; N262-V265 PolarHBondContact OD1-N 2.71Å; N262-T266 PolarHBondContact O-N 2.64Å; N262-T266 PolarHBondContact O-OG1 3.5Å; N262-A307 PolarHBondContact ND2-O 3.23Å | ||
| 263 | P | 98.3 | Very high | 98.6 | Very high | 79 Ų | 79 | 43.3 Ų | 43.3 | 51% | 0.513 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60 | -31.7 | 178.4 | -27.2 | 36.3 | 0 | 0 | 0 | 115.1 | Y258 T266 S267 | Y258-P263 HydrophobicContact CD2-CB 4.43Å; Y258-P263 HydrophobicContact CD2-CG 4.37Å; Y258-P263 HydrophobicContact CE2-CB 4.15Å; Y258-P263 HydrophobicContact CE2-CG 3.96Å; P263-T266 PolarHBondContact O-N 3.31Å; P263-S267 WeakPolarHBondContact O-CB 3.39Å; P263-S267 PolarHBondContact O-N 2.99Å |
| 264 | L | 98.4 | Very high | 98.5 | Very high | 52 Ų | 52 | 47.9 Ų | 47.9 | 27% | 0.272 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.8 | -48.7 | 178.9 | 173.6 | 60.8 | 0 | 0 | 0 | 110.5 | N262 T266 S267 L268 A307 G311 L313 | N262-L264 VanDerWaalsContact C-N 3.3Å; N262-L264 PolarHBondContact O-N 3.06Å; N262-L264 WeakPolarHBondContact OD1-CB 3.36Å; N262-L264 PolarHBondContact OD1-N 3.05Å; L264-T266 VanDerWaalsContact C-N 3.33Å; L264-T266 PolarHBondContact O-N 3.41Å; L264-S267 PolarHBondContact O-N 3.13Å; L264-S267 PolarHBondContact O-OG 2.68Å; L264-L268 HydrophobicContact CD1-CD1 4.41Å; L264-L268 HydrophobicContact CD1-CG 4.44Å; L264-L268 HydrophobicContact CG-CD1 4.39Å; L264-L268 WeakPolarHBondContact O-CG 3.34Å; L264-L268 PolarHBondContact O-N 2.9Å; L264-A307 HydrophobicContact CD2-CB 3.75Å; L264-A307 HydrophobicContact CG-CB 4.06Å; L264-G311 WeakPolarHBondContact CD2-O 3.18Å; L264-L313 HydrophobicContact CD2-CG 4.31Å |
| 265 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.8 | -41 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | L198 L257 V261 N262 S267 L268 A269 M304 A307 A308 | L198-V265 HydrophobicContact CD1-CG1 4.18Å; L257-V265 HydrophobicContact CB-CG1 4.47Å; L257-V265 HydrophobicContact CD1-CG1 4.34Å; L257-V265 HydrophobicContact CD2-CG1 3.92Å; L257-V265 HydrophobicContact CG-CG1 4.46Å; V261-V265 HydrophobicContact CB-CB 4.49Å; V261-V265 HydrophobicContact CG1-CB 3.89Å; V261-V265 HydrophobicContact CG1-CG1 4.06Å; V261-V265 HydrophobicContact CG1-CG2 3.72Å; N262-V265 PolarHBondContact O-N 3.39Å; N262-V265 WeakPolarHBondContact OD1-CG2 3.45Å; N262-V265 PolarHBondContact OD1-N 2.71Å; V265-S267 VanDerWaalsContact C-N 3.35Å; V265-S267 PolarHBondContact O-N 3.12Å; V265-L268 PolarHBondContact O-N 3.41Å; V265-A269 WeakPolarHBondContact O-CB 3.25Å; V265-A269 PolarHBondContact O-N 2.92Å; V265-M304 HydrophobicContact CG1-CB 4.14Å; V265-M304 HydrophobicContact CG1-CE 4.22Å; V265-M304 HydrophobicContact CG1-CG 4.49Å; V265-M304 VanDerWaalsContact CG2-O 3.29Å; V265-M304 WeakPolarHBondContact CG2-O 3.45Å; V265-A307 HydrophobicContact CG2-CB 3.7Å; V265-A308 HydrophobicContact CG2-CB 4.19Å |
| 266 | T | 98.8 | Very high | 98.5 | Very high | 18 Ų | 18 | 46.2 Ų | 46.2 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 175.3 | -56.6 | 0 | 0 | 0 | 0 | 112 | L254 L257 Y258 N262 P263 L264 A269 A270 | L254-T266 HydrophobicContact CB-CG2 4.29Å; L254-T266 HydrophobicContact CD2-CG2 4.1Å; L257-T266 WeakPolarHBondContact CB-OG1 3.41Å; L257-T266 PolarHBondContact O-OG1 3.43Å; Y258-T266 WeakPolarHBondContact CA-OG1 3.43Å; Y258-T266 HydrophobicContact CD2-CG2 4.33Å; Y258-T266 PolarHBondContact N-OG1 3.17Å; N262-T266 PolarHBondContact O-N 2.64Å; N262-T266 PolarHBondContact O-OG1 3.5Å; P263-T266 PolarHBondContact O-N 3.31Å; L264-T266 VanDerWaalsContact C-N 3.33Å; L264-T266 PolarHBondContact O-N 3.41Å; T266-A269 PolarHBondContact O-N 2.96Å; T266-A270 WeakPolarHBondContact O-CB 3.38Å; T266-A270 PolarHBondContact O-N 3.49Å |
| 267 | S | 98.6 | Very high | 98.5 | Very high | 59 Ų | 59 | 43.7 Ų | 43.7 | 41% | 0.413 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 177.9 | 75.7 | 0 | 0 | 0 | 0 | 111.7 | P263 L264 V265 A269 A270 V271 | P263-S267 WeakPolarHBondContact O-CB 3.39Å; P263-S267 PolarHBondContact O-N 2.99Å; L264-S267 PolarHBondContact O-N 3.13Å; L264-S267 PolarHBondContact O-OG 2.68Å; V265-S267 VanDerWaalsContact C-N 3.35Å; V265-S267 PolarHBondContact O-N 3.12Å; S267-A269 PolarHBondContact O-N 3.26Å; S267-A270 PolarHBondContact O-N 2.82Å; S267-V271 WeakPolarHBondContact O-CB 3.37Å; S267-V271 WeakPolarHBondContact O-CG2 3.3Å; S267-V271 PolarHBondContact O-N 3.45Å |
| 268 | L | 98.6 | Very high | 98.5 | Very high | 26 Ų | 26 | 47.5 Ų | 47.5 | 14% | 0.136 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 175.4 | -71.3 | 172.8 | 0 | 0 | 0 | 111.2 | L264 V265 N272 I300 L303 M304 A307 L313 | L264-L268 HydrophobicContact CD1-CD1 4.41Å; L264-L268 HydrophobicContact CD1-CG 4.44Å; L264-L268 HydrophobicContact CG-CD1 4.39Å; L264-L268 WeakPolarHBondContact O-CG 3.34Å; L264-L268 PolarHBondContact O-N 2.9Å; V265-L268 PolarHBondContact O-N 3.41Å; L268-N272 WeakPolarHBondContact O-CB 3.36Å; L268-N272 PolarHBondContact O-N 2.68Å; L268-I300 HydrophobicContact CB-CG2 4.12Å; L268-L303 HydrophobicContact CD1-CB 4.3Å; L268-M304 HydrophobicContact CB-CG 3.73Å; L268-M304 HydrophobicContact CD1-CG 4.28Å; L268-A307 HydrophobicContact CD1-CB 4.37Å; L268-L313 HydrophobicContact CD1-CD2 4.31Å |
| 269 | A | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 2% | 0.017 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T205 L254 L257 V265 T266 S267 N272 M273 M304 | T205-A269 HydrophobicContact CG2-CB 4.37Å; L254-A269 HydrophobicContact CD2-CB 4.1Å; L257-A269 HydrophobicContact CD1-CB 3.45Å; L257-A269 VanDerWaalsContact CD1-CB 3.45Å; V265-A269 WeakPolarHBondContact O-CB 3.25Å; V265-A269 PolarHBondContact O-N 2.92Å; T266-A269 PolarHBondContact O-N 2.96Å; S267-A269 PolarHBondContact O-N 3.26Å; A269-N272 PolarHBondContact O-N 2.84Å; A269-M273 WeakPolarHBondContact O-CB 3.45Å; A269-M273 PolarHBondContact O-N 2.92Å; A269-M304 HydrophobicContact CB-CE 3.72Å; A269-M304 HydrophobicContact CB-SD 4.24Å |
| 270 | A | 98.8 | Very high | 98.5 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 23% | 0.231 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -47.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L254 T266 S267 N272 M273 L274 | L254-A270 HydrophobicContact CD1-CB 4.47Å; L254-A270 HydrophobicContact CD2-CB 4.12Å; T266-A270 WeakPolarHBondContact O-CB 3.38Å; T266-A270 PolarHBondContact O-N 3.49Å; S267-A270 PolarHBondContact O-N 2.82Å; A270-N272 VanDerWaalsContact C-N 3.32Å; A270-N272 PolarHBondContact O-N 3.36Å; A270-M273 PolarHBondContact O-N 3.48Å; A270-L274 WeakPolarHBondContact O-CG 3.49Å; A270-L274 PolarHBondContact O-N 3.26Å |
| 271 | V | 98.6 | Very high | 98.5 | Very high | 88 Ų | 88 | 38.9 Ų | 38.9 | 53% | 0.533 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 174.8 | 169.1 | 0 | 0 | 0 | 0 | 110.5 | S267 M273 L274 L275 | S267-V271 WeakPolarHBondContact O-CB 3.37Å; S267-V271 WeakPolarHBondContact O-CG2 3.3Å; S267-V271 PolarHBondContact O-N 3.45Å; V271-M273 VanDerWaalsContact C-N 3.33Å; V271-M273 PolarHBondContact O-N 3.41Å; V271-L274 PolarHBondContact O-N 2.84Å; V271-L275 WeakPolarHBondContact O-CB 3.4Å; V271-L275 PolarHBondContact O-N 3.47Å |
| 272 | N | 98.7 | Very high | 98.5 | Very high | 20 Ų | 20 | 40.2 Ų | 40.2 | 11% | 0.107 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | -179.9 | -162.2 | 26.7 | 0 | 0 | 0 | 112.1 | L268 A269 A270 L275 Y276 V297 I300 | L268-N272 WeakPolarHBondContact O-CB 3.36Å; L268-N272 PolarHBondContact O-N 2.68Å; A269-N272 PolarHBondContact O-N 2.84Å; A270-N272 VanDerWaalsContact C-N 3.32Å; A270-N272 PolarHBondContact O-N 3.36Å; N272-L275 PolarHBondContact O-N 3.31Å; N272-Y276 WeakPolarHBondContact O-CB 3.4Å; N272-Y276 PolarHBondContact O-N 3.33Å; N272-V297 PolarHBondContact ND2-O 3.39Å; N272-V297 WeakPolarHBondContact OD1-CA 3.12Å; N272-V297 WeakPolarHBondContact OD1-CG1 3.23Å; N272-V297 PolarHBondContact OD1-O 3.21Å; N272-I300 HydrophobicContact CB-CB 4.32Å; N272-I300 HydrophobicContact CB-CD1 4Å; N272-I300 HydrophobicContact CB-CG2 3.91Å; N272-I300 WeakPolarHBondContact OD1-CD1 3.42Å |
| 273 | M | 98.6 | Very high | 98.5 | Very high | 23 Ų | 23 | 40.6 Ų | 40.6 | 11% | 0.113 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -48.8 | 176.3 | -174.9 | 175.9 | 64.2 | 0 | 0 | 111.1 | A208 A209 T250 A269 A270 V271 Y276 T277 | A208-M273 HydrophobicContact CB-SD 4.1Å; A209-M273 HydrophobicContact CB-CG 3.99Å; T250-M273 HydrophobicContact CG2-CE 3.62Å; T250-M273 HydrophobicContact CG2-SD 4.16Å; A269-M273 WeakPolarHBondContact O-CB 3.45Å; A269-M273 PolarHBondContact O-N 2.92Å; A270-M273 PolarHBondContact O-N 3.48Å; V271-M273 VanDerWaalsContact C-N 3.33Å; V271-M273 PolarHBondContact O-N 3.41Å; M273-Y276 PolarHBondContact O-N 2.94Å; M273-T277 WeakPolarHBondContact O-CG2 3.29Å; M273-T277 PolarHBondContact O-N 3.26Å; M273-T277 PolarHBondContact O-OG1 3.41Å |
| 274 | L | 98.5 | Very high | 98.4 | Very high | 96 Ų | 96 | 37.7 Ų | 37.7 | 50% | 0.503 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 177.2 | -68.3 | 174.9 | 0 | 0 | 0 | 112.3 | A270 V271 Y276 T277 C278 I279 | A270-L274 WeakPolarHBondContact O-CG 3.49Å; A270-L274 PolarHBondContact O-N 3.26Å; V271-L274 PolarHBondContact O-N 2.84Å; L274-Y276 VanDerWaalsContact C-N 3.29Å; L274-Y276 PolarHBondContact O-N 3.39Å; L274-T277 PolarHBondContact O-N 2.79Å; L274-C278 WeakPolarHBondContact O-CA 3.48Å; L274-C278 VanDerWaalsContact O-CB 3.27Å; L274-C278 WeakPolarHBondContact O-CB 3.25Å; L274-C278 PolarHBondContact O-N 3.23Å; L274-I279 PolarHBondContact O-N 2.91Å |
| 275 | L | 98.5 | Very high | 98.4 | Very high | 26 Ų | 26 | 37 Ų | 37 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -58.9 | -42.7 | 175.8 | -179.2 | 64 | 0 | 0 | 0 | 111 | V271 N272 I279 Y280 V293 W296 V297 I300 | V271-L275 WeakPolarHBondContact O-CB 3.4Å; V271-L275 PolarHBondContact O-N 3.47Å; N272-L275 PolarHBondContact O-N 3.31Å; L275-I279 HydrophobicContact CD1-CB 4.3Å; L275-I279 HydrophobicContact CD1-CD1 4.03Å; L275-Y280 VanDerWaalsContact O-CB 3.32Å; L275-Y280 WeakPolarHBondContact O-CB 3.28Å; L275-Y280 PolarHBondContact O-N 2.9Å; L275-V293 HydrophobicContact CD1-CG1 3.63Å; L275-V293 HydrophobicContact CG-CG1 4.44Å; L275-W296 HydrophobicContact CD2-CB 3.7Å; L275-V297 HydrophobicContact CB-CG2 4.33Å; L275-V297 HydrophobicContact CD2-CG2 3.79Å; L275-V297 HydrophobicContact CG-CG2 3.72Å; L275-I300 HydrophobicContact CD2-CD1 4.04Å |
| 276 | Y | 98.7 | Very high | 98.3 | Very high | 32 Ų | 32 | 42.7 Ų | 42.7 | 13% | 0.125 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -71.3 | -47.1 | 178.8 | -173.8 | -115.2 | 0 | 0 | 0 | 112.9 | A209 N210 N213 N272 M273 L274 Y280 T281 V297 | A209-Y276 HydrophobicContact CB-CD1 3.75Å; A209-Y276 HydrophobicContact CB-CE1 4.31Å; N210-Y276 PolarHBondContact OD1-OH 3.43Å; N210-Y276 VanDerWaalsContact OD1-OH 3.13Å; N213-Y276 HydrophobicContact CB-CD1 4.38Å; N213-Y276 HydrophobicContact CB-CE1 3.65Å; N272-Y276 WeakPolarHBondContact O-CB 3.4Å; N272-Y276 PolarHBondContact O-N 3.33Å; M273-Y276 PolarHBondContact O-N 2.94Å; L274-Y276 VanDerWaalsContact C-N 3.29Å; L274-Y276 PolarHBondContact O-N 3.39Å; Y276-Y280 AromaticContact CD2-CD1 3.4Å; Y276-Y280 HydrophobicContact CD2-CD1 3.4Å; Y276-Y280 AromaticContact CD2-CE1 3.85Å; Y276-Y280 HydrophobicContact CD2-CE1 3.85Å; Y276-Y280 HydrophobicContact CD2-CG 4.39Å; Y276-Y280 AromaticContact CE2-CD1 3.6Å; Y276-Y280 HydrophobicContact CE2-CD1 3.6Å; Y276-Y280 AromaticContact CE2-CE1 3.53Å; Y276-Y280 HydrophobicContact CE2-CE1 3.53Å; Y276-Y280 HydrophobicContact CG-CD1 4.38Å; Y276-T281 WeakPolarHBondContact O-CB 3.26Å; Y276-T281 PolarHBondContact O-N 3.18Å; Y276-T281 PolarHBondContact O-OG1 3.39Å; Y276-V297 HydrophobicContact CD2-CB 4.42Å; Y276-V297 HydrophobicContact CD2-CG1 3.73Å; Y276-V297 HydrophobicContact CD2-CG2 4.22Å; Y276-V297 HydrophobicContact CG-CG1 4.09Å |
| 277 | T | 98.5 | Very high | 98.2 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -85.7 | -42.2 | -170.6 | 59 | 0 | 0 | 0 | 0 | 113.3 | A209 I212 M273 L274 P282 | A209-T277 HydrophobicContact CB-CG2 4.22Å; I212-T277 HydrophobicContact CB-CG2 3.73Å; I212-T277 HydrophobicContact CD1-CG2 4.13Å; I212-T277 HydrophobicContact CG2-CG2 3.71Å; M273-T277 WeakPolarHBondContact O-CG2 3.29Å; M273-T277 PolarHBondContact O-N 3.26Å; M273-T277 PolarHBondContact O-OG1 3.41Å; L274-T277 PolarHBondContact O-N 2.79Å; T277-P282 WeakPolarHBondContact O-CD 3.25Å |
| 278 | C | 98.2 | Very high | 98.2 | Very high | 81 Ų | 81 | 42.9 Ų | 42.9 | 55% | 0.547 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -94.1 | -26.7 | -172.6 | -58.6 | 0 | 0 | 0 | 0 | 113.2 | L274 | L274-C278 WeakPolarHBondContact O-CA 3.48Å; L274-C278 VanDerWaalsContact O-CB 3.27Å; L274-C278 WeakPolarHBondContact O-CB 3.25Å; L274-C278 PolarHBondContact O-N 3.23Å |
| 279 | I | 98.4 | Very high | 98.1 | Very high | 86 Ų | 86 | 45.1 Ų | 45.1 | 44% | 0.441 | 25% | 0.25 | S | C | . | . | I | π-helix | trans | -109.8 | -64.5 | -175.3 | -51.8 | 180 | 0 | 0 | 0 | 110.5 | L274 L275 P282 L283 V293 | L274-I279 PolarHBondContact O-N 2.91Å; L275-I279 HydrophobicContact CD1-CB 4.3Å; L275-I279 HydrophobicContact CD1-CD1 4.03Å; I279-P282 WeakPolarHBondContact O-CD 3.48Å; I279-L283 HydrophobicContact CG2-CD1 3.69Å; I279-L283 VanDerWaalsContact O-CB 3.24Å; I279-L283 WeakPolarHBondContact O-CB 3.12Å; I279-L283 WeakPolarHBondContact O-CD1 3.27Å; I279-L283 WeakPolarHBondContact O-CG 3.48Å; I279-L283 PolarHBondContact O-N 3.09Å; I279-L283 VanDerWaalsContact O-N 3.08Å; I279-V293 HydrophobicContact CG2-CG1 3.85Å |
| 280 | Y | 98.4 | Very high | 98 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 17% | 0.173 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -61.8 | -50.1 | -175.4 | 166.4 | -107.8 | 0 | 0 | 0 | 112.8 | L275 Y276 L283 K284 N290 | L275-Y280 VanDerWaalsContact O-CB 3.32Å; L275-Y280 WeakPolarHBondContact O-CB 3.28Å; L275-Y280 PolarHBondContact O-N 2.9Å; Y276-Y280 AromaticContact CD2-CD1 3.4Å; Y276-Y280 HydrophobicContact CD2-CD1 3.4Å; Y276-Y280 AromaticContact CD2-CE1 3.85Å; Y276-Y280 HydrophobicContact CD2-CE1 3.85Å; Y276-Y280 HydrophobicContact CD2-CG 4.39Å; Y276-Y280 AromaticContact CE2-CD1 3.6Å; Y276-Y280 HydrophobicContact CE2-CD1 3.6Å; Y276-Y280 AromaticContact CE2-CE1 3.53Å; Y276-Y280 HydrophobicContact CE2-CE1 3.53Å; Y276-Y280 HydrophobicContact CG-CD1 4.38Å; Y280-L283 WeakPolarHBondContact O-CB 3.44Å; Y280-L283 PolarHBondContact O-N 3.29Å; Y280-K284 HydrophobicContact CE1-CD 3.98Å; Y280-K284 HydrophobicContact CE2-CD 4.31Å; Y280-K284 HydrophobicContact CE2-CG 4.04Å; Y280-K284 PolarHBondContact O-N 2.69Å; Y280-N290 HydrophobicContact CD2-CB 4.38Å; Y280-N290 WeakPolarHBondContact CD2-O 3.28Å; Y280-N290 HydrophobicContact CE2-CB 4.35Å; Y280-N290 WeakPolarHBondContact CE2-O 3.45Å |
| 281 | T | 98.1 | Very high | 98 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.2 | -51.2 | -175.2 | -64 | 0 | 0 | 0 | 0 | 112.2 | N213 I216 E217 Y276 L283 K284 | N213-T281 VanDerWaalsContact ND2-CG2 3.29Å; N213-T281 WeakPolarHBondContact ND2-CG2 3.16Å; N213-T281 PolarHBondContact ND2-OG1 3.04Å; I216-T281 HydrophobicContact CB-CG2 4.02Å; I216-T281 HydrophobicContact CD1-CG2 4.12Å; I216-T281 HydrophobicContact CG2-CG2 3.78Å; E217-T281 HydrophobicContact CG-CG2 4.01Å; Y276-T281 WeakPolarHBondContact O-CB 3.26Å; Y276-T281 PolarHBondContact O-N 3.18Å; Y276-T281 PolarHBondContact O-OG1 3.39Å; T281-L283 PolarHBondContact O-N 2.89Å; T281-K284 WeakPolarHBondContact O-CB 3.2Å; T281-K284 PolarHBondContact O-N 3.28Å |
| 282 | P | 97.6 | Very high | 98 | Very high | 48 Ų | 48 | 43 Ų | 43 | 31% | 0.312 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 174.3 | -24.4 | 36.1 | 0 | 0 | 0 | 113.2 | T277 I279 K284 Q285 I286 | T277-P282 WeakPolarHBondContact O-CD 3.25Å; I279-P282 WeakPolarHBondContact O-CD 3.48Å; P282-K284 PolarHBondContact O-N 3.19Å; P282-K284 VanDerWaalsContact O-N 3.12Å; P282-Q285 PolarHBondContact O-N 3.41Å; P282-I286 HydrophobicContact CB-CD1 4.5Å; P282-I286 WeakPolarHBondContact O-CG1 3.34Å |
| 283 | L | 98 | Very high | 97.9 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 18% | 0.183 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.9 | -29 | 179.7 | -85.3 | 172.6 | 0 | 0 | 0 | 113.2 | I279 Y280 T281 Q285 I286 S287 N290 V293 | I279-L283 HydrophobicContact CG2-CD1 3.69Å; I279-L283 VanDerWaalsContact O-CB 3.24Å; I279-L283 WeakPolarHBondContact O-CB 3.12Å; I279-L283 WeakPolarHBondContact O-CD1 3.27Å; I279-L283 WeakPolarHBondContact O-CG 3.48Å; I279-L283 PolarHBondContact O-N 3.09Å; I279-L283 VanDerWaalsContact O-N 3.08Å; Y280-L283 WeakPolarHBondContact O-CB 3.44Å; Y280-L283 PolarHBondContact O-N 3.29Å; T281-L283 PolarHBondContact O-N 2.89Å; L283-Q285 PolarHBondContact O-N 3.13Å; L283-Q285 VanDerWaalsContact O-N 3.13Å; L283-I286 PolarHBondContact O-N 3.31Å; L283-S287 PolarHBondContact O-N 3.37Å; L283-S287 VanDerWaalsContact O-O 3.09Å; L283-N290 HydrophobicContact CB-CB 3.94Å; L283-V293 HydrophobicContact CD1-CB 4.1Å; L283-V293 HydrophobicContact CD1-CG1 4.17Å; L283-V293 HydrophobicContact CD1-CG2 3.79Å |
| 284 | K | 97.8 | Very high | 97.9 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.4 | -29.2 | 177.3 | -67.8 | 173.5 | 64.2 | -160 | 0 | 112.9 | E217 Y280 T281 P282 N290 Y348 A349 M350 | E217-K284 VanDerWaalsContact CD-NZ 3.32Å; E217-K284 IonicContact OE1-NZ 2.62Å; E217-K284 PolarHBondContact OE1-NZ 2.9Å; E217-K284 IonicContact OE2-NZ 3.45Å; E217-K284 PolarHBondContact OE2-NZ 3.03Å; Y280-K284 HydrophobicContact CE1-CD 3.98Å; Y280-K284 HydrophobicContact CE2-CD 4.31Å; Y280-K284 HydrophobicContact CE2-CG 4.04Å; Y280-K284 PolarHBondContact O-N 2.69Å; T281-K284 WeakPolarHBondContact O-CB 3.2Å; T281-K284 PolarHBondContact O-N 3.28Å; P282-K284 PolarHBondContact O-N 3.19Å; P282-K284 VanDerWaalsContact O-N 3.12Å; K284-N290 HydrophobicContact CG-CB 4.11Å; K284-Y348 HydrophobicContact CB-CD1 3.62Å; K284-Y348 HydrophobicContact CB-CE1 3.65Å; K284-Y348 HydrophobicContact CD-CE1 4.21Å; K284-Y348 PolarHBondContact NZ-OH 2.96Å; K284-Y348 WeakPolarHBondContact O-CD1 3.28Å; K284-A349 PolarHBondContact O-N 3.42Å; K284-M350 HydrophobicContact CB-CE 4.05Å; K284-M350 HydrophobicContact CG-CE 4.19Å |
| 285 | Q | 97.1 | Very high | 97.9 | Very high | 37 Ų | 37 | 38.1 Ų | 38.1 | 17% | 0.173 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -90.3 | -12.3 | 177.8 | -67 | -65.3 | -28.3 | 0 | 0 | 113.2 | Y220 P282 L283 A346 G347 Y348 | Y220-Q285 HydrophobicContact CD2-CG 4.35Å; Y220-Q285 HydrophobicContact CE1-CG 4.16Å; Y220-Q285 HydrophobicContact CE2-CG 3.83Å; Y220-Q285 VanDerWaalsContact CG-NE2 3.28Å; Y220-Q285 VanDerWaalsContact CZ-CD 3.5Å; P282-Q285 PolarHBondContact O-N 3.41Å; L283-Q285 PolarHBondContact O-N 3.13Å; L283-Q285 VanDerWaalsContact O-N 3.13Å; Q285-A346 PolarHBondContact NE2-O 2.88Å; Q285-G347 PolarHBondContact OE1-O 3.28Å; Q285-G347 VanDerWaalsContact OE1-O 3.06Å; Q285-Y348 HydrophobicContact CG-CD1 4.44Å; Q285-Y348 HydrophobicContact CG-CE1 4.37Å |
| 286 | I | 96.7 | Very high | 97.9 | Very high | 120 Ų | 120 | 43.4 Ų | 43.4 | 62% | 0.615 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -109.8 | -45.1 | -168.5 | -58.5 | 168.5 | 0 | 0 | 0 | 111.4 | P282 L283 | P282-I286 HydrophobicContact CB-CD1 4.5Å; P282-I286 WeakPolarHBondContact O-CG1 3.34Å; L283-I286 PolarHBondContact O-N 3.31Å |
| 287 | S | 97.7 | Very high | 97.9 | Very high | 36 Ų | 36 | 42.9 Ų | 42.9 | 25% | 0.252 | 22% | 0.224 | S | C | . | . | trans | -152.2 | 144.6 | -168.8 | 177.2 | 0 | 0 | 0 | 0 | 113.2 | L283 V289 N290 A349 | L283-S287 PolarHBondContact O-N 3.37Å; L283-S287 VanDerWaalsContact O-O 3.09Å; S287-V289 PolarHBondContact O-N 3.27Å; S287-V289 VanDerWaalsContact O-N 3.12Å; S287-V289 WeakPolarHBondContact OG-CG2 3.39Å; S287-V289 PolarHBondContact OG-N 2.83Å; S287-N290 WeakPolarHBondContact O-CB 3.34Å; S287-N290 PolarHBondContact O-N 3.47Å; S287-N290 VanDerWaalsContact O-N 3.08Å; S287-N290 PolarHBondContact O-ND2 3.45Å; S287-A349 CarbonylContact C-O 3.58Å | ||
| 288 | Q | 97.2 | Very high | 97.7 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -21.4 | 170.7 | 62.5 | -177.7 | -15.1 | 0 | 0 | 113.9 | N290 T291 W292 A349 I354 | Q288-N290 PolarHBondContact O-N 3.01Å; Q288-T291 PolarHBondContact O-N 3.16Å; Q288-W292 VanDerWaalsContact O-CE3 3.3Å; Q288-W292 WeakPolarHBondContact O-CZ3 3.13Å; Q288-A349 WeakPolarHBondContact CA-O 3.29Å; Q288-A349 PolarHBondContact N-O 2.98Å; Q288-I354 HydrophobicContact CB-CD1 4.12Å |
| 289 | V | 97.4 | Very high | 97.7 | Very high | 72 Ų | 72 | 39.9 Ų | 39.9 | 44% | 0.436 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -17.4 | 174.6 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | S287 T291 W292 V293 | S287-V289 PolarHBondContact O-N 3.27Å; S287-V289 VanDerWaalsContact O-N 3.12Å; S287-V289 WeakPolarHBondContact OG-CG2 3.39Å; S287-V289 PolarHBondContact OG-N 2.83Å; V289-T291 PolarHBondContact O-N 2.99Å; V289-W292 PolarHBondContact O-N 3.01Å; V289-V293 HydrophobicContact CG1-CG2 4.04Å; V289-V293 PolarHBondContact O-N 2.9Å; V289-V293 VanDerWaalsContact O-N 3.11Å |
| 290 | N | 97.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.011 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -45.6 | -39.1 | 171.5 | 73.1 | 74.2 | 0 | 0 | 0 | 113 | Y280 L283 K284 S287 Q288 W292 V293 G294 A349 | Y280-N290 HydrophobicContact CD2-CB 4.38Å; Y280-N290 WeakPolarHBondContact CD2-O 3.28Å; Y280-N290 HydrophobicContact CE2-CB 4.35Å; Y280-N290 WeakPolarHBondContact CE2-O 3.45Å; L283-N290 HydrophobicContact CB-CB 3.94Å; K284-N290 HydrophobicContact CG-CB 4.11Å; S287-N290 WeakPolarHBondContact O-CB 3.34Å; S287-N290 PolarHBondContact O-N 3.47Å; S287-N290 VanDerWaalsContact O-N 3.08Å; S287-N290 PolarHBondContact O-ND2 3.45Å; Q288-N290 PolarHBondContact O-N 3.01Å; N290-W292 PolarHBondContact O-N 2.86Å; N290-V293 PolarHBondContact O-N 3.48Å; N290-G294 PolarHBondContact O-N 3.23Å; N290-A349 PolarHBondContact ND2-O 3.3Å |
| 291 | T | 97.4 | Very high | 97.7 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 9% | 0.092 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70 | -35.3 | -176.7 | -52.7 | 0 | 0 | 0 | 0 | 111.7 | Q288 V289 A295 F329 F332 M333 | Q288-T291 PolarHBondContact O-N 3.16Å; V289-T291 PolarHBondContact O-N 2.99Å; T291-A295 WeakPolarHBondContact O-CB 3.45Å; T291-A295 PolarHBondContact O-N 3.31Å; T291-F329 HydrophobicContact CG2-CD1 4.38Å; T291-F329 HydrophobicContact CG2-CE1 4.43Å; T291-F332 HydrophobicContact CG2-CB 4.3Å; T291-M333 HydrophobicContact CG2-CE 3.59Å |
| 292 | W | 98.1 | Very high | 97.6 | Very high | 56 Ų | 56 | 34.5 Ų | 34.5 | 21% | 0.212 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.4 | -37.3 | 177.6 | -72.2 | -100 | 0 | 0 | 0 | 112.5 | Q288 V289 N290 Y325 F329 M333 T351 V362 Y366 | Q288-W292 VanDerWaalsContact O-CE3 3.3Å; Q288-W292 WeakPolarHBondContact O-CZ3 3.13Å; V289-W292 PolarHBondContact O-N 3.01Å; N290-W292 PolarHBondContact O-N 2.86Å; W292-Y325 PolarHBondContact O-OH 3.12Å; W292-F329 HydrophobicContact CB-CE1 4.47Å; W292-F329 HydrophobicContact CB-CZ 4.37Å; W292-F329 AromaticContact CD1-CE1 3.51Å; W292-F329 AromaticContact CD1-CZ 3.56Å; W292-F329 AromaticContact CD2-CE1 3.88Å; W292-F329 HydrophobicContact CD2-CE1 3.88Å; W292-F329 AromaticContact CE2-CE1 3.79Å; W292-F329 AromaticContact CG-CE1 3.73Å; W292-F329 HydrophobicContact CG-CE1 3.73Å; W292-F329 AromaticContact CG-CZ 3.94Å; W292-F329 HydrophobicContact CG-CZ 3.94Å; W292-F329 AromaticContact NE1-CE1 3.53Å; W292-F329 AromaticContact NE1-CZ 3.98Å; W292-M333 HydrophobicContact CH2-CE 4.42Å; W292-T351 HydrophobicContact CH2-CG2 4.37Å; W292-V362 HydrophobicContact CH2-CG2 4.31Å; W292-V362 HydrophobicContact CZ2-CG1 4.25Å; W292-V362 HydrophobicContact CZ2-CG2 3.86Å; W292-Y366 PolarHBondContact NE1-OH 3.19Å |
| 293 | V | 98.2 | Very high | 97.6 | Very high | 27 Ų | 27 | 33.2 Ų | 33.2 | 16% | 0.164 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.5 | -43.4 | 174.8 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | L275 I279 L283 V289 N290 A295 W296 | L275-V293 HydrophobicContact CD1-CG1 3.63Å; L275-V293 HydrophobicContact CG-CG1 4.44Å; I279-V293 HydrophobicContact CG2-CG1 3.85Å; L283-V293 HydrophobicContact CD1-CB 4.1Å; L283-V293 HydrophobicContact CD1-CG1 4.17Å; L283-V293 HydrophobicContact CD1-CG2 3.79Å; V289-V293 HydrophobicContact CG1-CG2 4.04Å; V289-V293 PolarHBondContact O-N 2.9Å; V289-V293 VanDerWaalsContact O-N 3.11Å; N290-V293 PolarHBondContact O-N 3.48Å; V293-A295 VanDerWaalsContact C-N 3.26Å; V293-A295 PolarHBondContact O-N 3.32Å; V293-W296 WeakPolarHBondContact O-CB 3.44Å; V293-W296 PolarHBondContact O-N 2.9Å; V293-W296 VanDerWaalsContact O-N 3.16Å |
| 294 | G | 97.9 | Very high | 97.6 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 9% | 0.093 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62 | -32.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | N290 W296 V297 G298 | N290-G294 PolarHBondContact O-N 3.23Å; G294-W296 PolarHBondContact O-N 3.43Å; G294-V297 VanDerWaalsContact O-CB 3.31Å; G294-V297 WeakPolarHBondContact O-CB 3.44Å; G294-V297 PolarHBondContact O-N 2.94Å; G294-G298 PolarHBondContact O-N 3.34Å |
| 295 | A | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.1 | -32.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | T291 V293 V297 G298 A299 Y325 Q328 F329 | T291-A295 WeakPolarHBondContact O-CB 3.45Å; T291-A295 PolarHBondContact O-N 3.31Å; V293-A295 VanDerWaalsContact C-N 3.26Å; V293-A295 PolarHBondContact O-N 3.32Å; A295-V297 VanDerWaalsContact C-N 3.33Å; A295-G298 PolarHBondContact O-N 3Å; A295-A299 WeakPolarHBondContact O-CB 3.4Å; A295-A299 PolarHBondContact O-N 3.47Å; A295-Y325 HydrophobicContact CB-CD2 3.57Å; A295-Y325 HydrophobicContact CB-CE2 3.41Å; A295-Y325 VanDerWaalsContact CB-CE2 3.41Å; A295-Y325 HydrophobicContact CB-CG 4.27Å; A295-Q328 HydrophobicContact CB-CB 4.43Å; A295-Q328 PolarHBondContact O-NE2 3.22Å; A295-F329 HydrophobicContact CB-CE2 3.72Å; A295-F329 HydrophobicContact CB-CZ 3.9Å |
| 296 | W | 98.2 | Very high | 97.6 | Very high | 138 Ų | 138 | 29.2 Ų | 29.2 | 52% | 0.523 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.5 | -37.2 | 172.9 | -73.7 | 112 | 0 | 0 | 0 | 112.3 | L275 V293 G294 G298 A299 I300 Y325 | L275-W296 HydrophobicContact CD2-CB 3.7Å; V293-W296 WeakPolarHBondContact O-CB 3.44Å; V293-W296 PolarHBondContact O-N 2.9Å; V293-W296 VanDerWaalsContact O-N 3.16Å; G294-W296 PolarHBondContact O-N 3.43Å; W296-G298 VanDerWaalsContact C-N 3.27Å; W296-G298 PolarHBondContact O-N 3.22Å; W296-A299 PolarHBondContact O-N 3.42Å; W296-I300 WeakPolarHBondContact O-CG1 3.4Å; W296-I300 PolarHBondContact O-N 3.49Å; W296-I300 VanDerWaalsContact O-N 3.16Å; W296-Y325 AromaticContact CD1-CE2 3.67Å; W296-Y325 AromaticContact CD2-CD2 3.88Å; W296-Y325 HydrophobicContact CD2-CD2 3.88Å; W296-Y325 AromaticContact CD2-CE2 3.7Å; W296-Y325 HydrophobicContact CD2-CE2 3.7Å; W296-Y325 AromaticContact CE2-CE2 3.6Å; W296-Y325 HydrophobicContact CE3-CD2 4.14Å; W296-Y325 HydrophobicContact CE3-CE2 4.4Å; W296-Y325 HydrophobicContact CG-CD2 4.15Å; W296-Y325 AromaticContact CG-CE2 3.76Å; W296-Y325 HydrophobicContact CG-CE2 3.76Å; W296-Y325 HydrophobicContact CZ2-CE2 4.22Å; W296-Y325 AromaticContact NE1-CE2 3.57Å |
| 297 | V | 98.2 | Very high | 97.7 | Very high | 20 Ų | 20 | 23.5 Ų | 23.5 | 12% | 0.121 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.6 | -40.8 | 179.8 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | N272 L275 Y276 G294 A295 P301 | N272-V297 PolarHBondContact ND2-O 3.39Å; N272-V297 WeakPolarHBondContact OD1-CA 3.12Å; N272-V297 WeakPolarHBondContact OD1-CG1 3.23Å; N272-V297 PolarHBondContact OD1-O 3.21Å; L275-V297 HydrophobicContact CB-CG2 4.33Å; L275-V297 HydrophobicContact CD2-CG2 3.79Å; L275-V297 HydrophobicContact CG-CG2 3.72Å; Y276-V297 HydrophobicContact CD2-CB 4.42Å; Y276-V297 HydrophobicContact CD2-CG1 3.73Å; Y276-V297 HydrophobicContact CD2-CG2 4.22Å; Y276-V297 HydrophobicContact CG-CG1 4.09Å; G294-V297 VanDerWaalsContact O-CB 3.31Å; G294-V297 WeakPolarHBondContact O-CB 3.44Å; G294-V297 PolarHBondContact O-N 2.94Å; A295-V297 VanDerWaalsContact C-N 3.33Å; V297-P301 WeakPolarHBondContact O-CD 3.43Å |
| 298 | G | 96.3 | Very high | 97.7 | Very high | 24 Ų | 24 | 22 Ų | 22 | 25% | 0.247 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -76.8 | -18.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G294 A295 W296 | G294-G298 PolarHBondContact O-N 3.34Å; A295-G298 PolarHBondContact O-N 3Å; W296-G298 VanDerWaalsContact C-N 3.27Å; W296-G298 PolarHBondContact O-N 3.22Å |
| 299 | A | 97.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -87 | -22.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A295 W296 P302 A321 Y325 | A295-A299 WeakPolarHBondContact O-CB 3.4Å; A295-A299 PolarHBondContact O-N 3.47Å; W296-A299 PolarHBondContact O-N 3.42Å; A299-P302 WeakPolarHBondContact O-CD 3.35Å; A299-A321 HydrophobicContact CB-CB 4.44Å; A299-A321 WeakPolarHBondContact CB-O 3.34Å; A299-A321 WeakPolarHBondContact O-CB 3.45Å; A299-Y325 HydrophobicContact CB-CD2 4.45Å |
| 300 | I | 98.3 | Very high | 97.7 | Very high | 15 Ų | 15 | 16.9 Ų | 16.9 | 8% | 0.077 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -73.2 | -40.4 | -177.9 | -69.1 | 161.8 | 0 | 0 | 0 | 114.3 | L268 N272 L275 W296 L303 M304 | L268-I300 HydrophobicContact CB-CG2 4.12Å; N272-I300 HydrophobicContact CB-CB 4.32Å; N272-I300 HydrophobicContact CB-CD1 4Å; N272-I300 HydrophobicContact CB-CG2 3.91Å; N272-I300 WeakPolarHBondContact OD1-CD1 3.42Å; L275-I300 HydrophobicContact CD2-CD1 4.04Å; W296-I300 WeakPolarHBondContact O-CG1 3.4Å; W296-I300 PolarHBondContact O-N 3.49Å; W296-I300 VanDerWaalsContact O-N 3.16Å; I300-L303 WeakPolarHBondContact O-CA 3.38Å; I300-L303 VanDerWaalsContact O-CB 3.25Å; I300-L303 WeakPolarHBondContact O-CB 3.43Å; I300-L303 PolarHBondContact O-N 3.33Å; I300-M304 HydrophobicContact CG2-CG 4.01Å; I300-M304 HydrophobicContact CG2-SD 4.06Å; I300-M304 PolarHBondContact O-N 3.34Å |
| 301 | P | 98.1 | Very high | 97.6 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.019 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56 | -41.8 | -176.5 | -24 | 31.5 | 0 | 0 | 0 | 114.8 | V166 A170 V297 L303 M304 G305 | V166-P301 HydrophobicContact CG1-CB 3.94Å; V166-P301 HydrophobicContact CG1-CG 3.72Å; A170-P301 VanDerWaalsContact CA-O 3.28Å; A170-P301 WeakPolarHBondContact CA-O 3.46Å; A170-P301 HydrophobicContact CB-CB 4.37Å; A170-P301 WeakPolarHBondContact CB-O 3.37Å; V297-P301 WeakPolarHBondContact O-CD 3.43Å; P301-L303 VanDerWaalsContact C-N 3.29Å; P301-L303 PolarHBondContact O-N 2.96Å; P301-M304 WeakPolarHBondContact O-CB 3.09Å; P301-M304 PolarHBondContact O-N 3.4Å; P301-G305 PolarHBondContact O-N 2.84Å |
| 302 | P | 95.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.013 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60 | -34.4 | 171.3 | -18.2 | 25.6 | 0 | 0 | 0 | 114.2 | A299 G305 W306 L320 L324 | A299-P302 WeakPolarHBondContact O-CD 3.35Å; P302-G305 PolarHBondContact O-N 3.21Å; P302-W306 PolarHBondContact O-N 3.17Å; P302-L320 HydrophobicContact CB-CD2 3.59Å; P302-L320 HydrophobicContact CB-CG 3.69Å; P302-L324 HydrophobicContact CG-CG 3.95Å |
| 303 | L | 97.7 | Very high | 97.3 | Very high | 22 Ų | 22 | 24.1 Ų | 24.1 | 12% | 0.115 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.4 | -41.4 | 174.1 | -62.1 | 176.2 | 0 | 0 | 0 | 111.3 | L268 I300 P301 G305 W306 A307 L313 S317 A321 | L268-L303 HydrophobicContact CD1-CB 4.3Å; I300-L303 WeakPolarHBondContact O-CA 3.38Å; I300-L303 VanDerWaalsContact O-CB 3.25Å; I300-L303 WeakPolarHBondContact O-CB 3.43Å; I300-L303 PolarHBondContact O-N 3.33Å; P301-L303 VanDerWaalsContact C-N 3.29Å; P301-L303 PolarHBondContact O-N 2.96Å; L303-G305 VanDerWaalsContact C-N 3.25Å; L303-G305 PolarHBondContact O-N 3.44Å; L303-W306 PolarHBondContact O-N 3.27Å; L303-A307 VanDerWaalsContact O-CB 3.28Å; L303-A307 WeakPolarHBondContact O-CB 3.5Å; L303-A307 PolarHBondContact O-N 2.9Å; L303-L313 HydrophobicContact CB-CD2 4.12Å; L303-L313 HydrophobicContact CD2-CD2 4.3Å; L303-S317 VanDerWaalsContact CD2-C 3.48Å; L303-S317 WeakPolarHBondContact CD2-O 3.42Å; L303-A321 HydrophobicContact CD1-CB 3.82Å; L303-A321 HydrophobicContact CD2-CB 3.55Å; L303-A321 HydrophobicContact CG-CB 3.61Å |
| 304 | M | 98.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.015 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.7 | -43.2 | 173.7 | -66.3 | 169.3 | 53.7 | 0 | 0 | 110.7 | T202 L257 V265 L268 A269 I300 P301 A308 | T202-M304 HydrophobicContact CG2-CE 4.3Å; T202-M304 WeakPolarHBondContact OG1-CE 3.28Å; L257-M304 HydrophobicContact CD1-CE 4.2Å; V265-M304 HydrophobicContact CG1-CB 4.14Å; V265-M304 HydrophobicContact CG1-CE 4.22Å; V265-M304 HydrophobicContact CG1-CG 4.49Å; V265-M304 VanDerWaalsContact CG2-O 3.29Å; V265-M304 WeakPolarHBondContact CG2-O 3.45Å; L268-M304 HydrophobicContact CB-CG 3.73Å; L268-M304 HydrophobicContact CD1-CG 4.28Å; A269-M304 HydrophobicContact CB-CE 3.72Å; A269-M304 HydrophobicContact CB-SD 4.24Å; I300-M304 HydrophobicContact CG2-CG 4.01Å; I300-M304 HydrophobicContact CG2-SD 4.06Å; I300-M304 PolarHBondContact O-N 3.34Å; P301-M304 WeakPolarHBondContact O-CB 3.09Å; P301-M304 PolarHBondContact O-N 3.4Å; M304-A308 WeakPolarHBondContact O-CB 3.2Å; M304-A308 PolarHBondContact O-N 3.28Å |
| 305 | G | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.3 | -53.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A170 C174 P301 P302 L303 A307 A308 A309 | A170-G305 WeakPolarHBondContact O-CA 3.47Å; C174-G305 WeakPolarHBondContact CA-O 3.23Å; C174-G305 WeakPolarHBondContact CB-O 3.24Å; C174-G305 VanDerWaalsContact N-C 3.34Å; C174-G305 PolarHBondContact N-O 3.14Å; P301-G305 PolarHBondContact O-N 2.84Å; P302-G305 PolarHBondContact O-N 3.21Å; L303-G305 VanDerWaalsContact C-N 3.25Å; L303-G305 PolarHBondContact O-N 3.44Å; G305-A307 PolarHBondContact O-N 3.25Å; G305-A308 WeakPolarHBondContact O-CB 3.41Å; G305-A308 PolarHBondContact O-N 2.81Å; G305-A308 VanDerWaalsContact O-N 3.15Å; G305-A309 PolarHBondContact O-N 3.43Å |
| 306 | W | 96.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | -179.7 | -168.2 | -72.3 | 0 | 0 | 0 | 112.4 | L176 A177 T180 P302 L303 A308 A309 T310 | L176-W306 HydrophobicContact CB-CZ3 4.22Å; A177-W306 HydrophobicContact CB-CB 4.2Å; A177-W306 HydrophobicContact CB-CD2 3.51Å; A177-W306 HydrophobicContact CB-CE3 3.8Å; A177-W306 HydrophobicContact CB-CG 3.69Å; A177-W306 HydrophobicContact CB-CZ2 4.43Å; A177-W306 HydrophobicContact CB-CZ3 4.36Å; T180-W306 HydrophobicContact CG2-CH2 4.17Å; T180-W306 HydrophobicContact CG2-CZ2 4.36Å; P302-W306 PolarHBondContact O-N 3.17Å; L303-W306 PolarHBondContact O-N 3.27Å; W306-A308 PolarHBondContact O-N 2.92Å; W306-A309 PolarHBondContact O-N 2.96Å; W306-T310 VanDerWaalsContact CD1-OG1 3.28Å; W306-T310 PolarHBondContact O-N 3.22Å; W306-T310 VanDerWaalsContact O-N 3.1Å; W306-T310 PolarHBondContact O-OG1 3.41Å |
| 307 | A | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.2 | -24.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N262 L264 V265 L268 L303 G305 A309 G311 L313 | N262-A307 PolarHBondContact ND2-O 3.23Å; L264-A307 HydrophobicContact CD2-CB 3.75Å; L264-A307 HydrophobicContact CG-CB 4.06Å; V265-A307 HydrophobicContact CG2-CB 3.7Å; L268-A307 HydrophobicContact CD1-CB 4.37Å; L303-A307 VanDerWaalsContact O-CB 3.28Å; L303-A307 WeakPolarHBondContact O-CB 3.5Å; L303-A307 PolarHBondContact O-N 2.9Å; G305-A307 PolarHBondContact O-N 3.25Å; A307-A309 VanDerWaalsContact C-N 3.35Å; A307-G311 VanDerWaalsContact O-CA 3.26Å; A307-G311 WeakPolarHBondContact O-CA 3.37Å; A307-G311 PolarHBondContact O-N 2.82Å; A307-L313 HydrophobicContact CB-CD2 4.08Å |
| 308 | A | 98.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 3% | 0.033 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.1 | -36.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F187 T194 L198 V261 V265 M304 G305 W306 | F187-A308 WeakPolarHBondContact CD2-O 3.43Å; T194-A308 HydrophobicContact CG2-CB 4.33Å; L198-A308 HydrophobicContact CD1-CB 4.16Å; L198-A308 HydrophobicContact CD2-CB 3.86Å; L198-A308 HydrophobicContact CG-CB 4.42Å; V261-A308 HydrophobicContact CG1-CB 3.47Å; V261-A308 VanDerWaalsContact CG1-CB 3.47Å; V265-A308 HydrophobicContact CG2-CB 4.19Å; M304-A308 WeakPolarHBondContact O-CB 3.2Å; M304-A308 PolarHBondContact O-N 3.28Å; G305-A308 WeakPolarHBondContact O-CB 3.41Å; G305-A308 PolarHBondContact O-N 2.81Å; G305-A308 VanDerWaalsContact O-N 3.15Å; W306-A308 PolarHBondContact O-N 2.92Å |
| 309 | A | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -86.5 | -27 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A177 A178 S184 F187 G305 W306 A307 | A177-A309 HydrophobicContact CB-CB 3.74Å; A178-A309 HydrophobicContact CB-CB 4.4Å; S184-A309 PolarHBondContact N-O 2.86Å; F187-A309 WeakPolarHBondContact CB-O 3.41Å; F187-A309 HydrophobicContact CD1-CB 4.44Å; F187-A309 HydrophobicContact CD2-CB 4.21Å; F187-A309 HydrophobicContact CE1-CB 4.4Å; F187-A309 HydrophobicContact CE2-CB 4.17Å; F187-A309 HydrophobicContact CG-CB 4.34Å; F187-A309 HydrophobicContact CZ-CB 4.26Å; G305-A309 PolarHBondContact O-N 3.43Å; W306-A309 PolarHBondContact O-N 2.96Å; A307-A309 VanDerWaalsContact C-N 3.35Å |
| 310 | T | 96.5 | Very high | 94.7 | Very high | 10 Ų | 10 | 24.5 Ų | 24.5 | 6% | 0.061 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -118.3 | -14.8 | -170.7 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | A177 M182 W306 Q312 | A177-T310 HydrophobicContact CB-CG2 3.96Å; M182-T310 HydrophobicContact CB-CG2 4.29Å; M182-T310 WeakPolarHBondContact O-CG2 3.44Å; W306-T310 VanDerWaalsContact CD1-OG1 3.28Å; W306-T310 PolarHBondContact O-N 3.22Å; W306-T310 VanDerWaalsContact O-N 3.1Å; W306-T310 PolarHBondContact O-OG1 3.41Å; T310-Q312 PolarHBondContact O-N 3.29Å; T310-Q312 VanDerWaalsContact O-N 3.17Å; T310-Q312 PolarHBondContact OG1-N 2.92Å; T310-Q312 PolarHBondContact OG1-O 3.2Å; T310-Q312 VanDerWaalsContact OG1-O 3.04Å |
| 311 | G | 96.6 | Very high | 94.6 | Very high | 34 Ų | 34 | 24.1 Ų | 24.1 | 35% | 0.351 | 14% | 0.137 | S | C | . | . | S | Bend | trans | 68 | 4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L264 A307 | L264-G311 WeakPolarHBondContact CD2-O 3.18Å; A307-G311 VanDerWaalsContact O-CA 3.26Å; A307-G311 WeakPolarHBondContact O-CA 3.37Å; A307-G311 PolarHBondContact O-N 2.82Å |
| 312 | Q | 95.4 | Very high | 94.5 | Very high | 117 Ų | 117 | 26.5 Ų | 26.5 | 55% | 0.547 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -141.4 | 167.4 | -173.3 | -61.3 | -173.7 | -5.5 | 0 | 0 | 112.1 | T310 | T310-Q312 PolarHBondContact O-N 3.29Å; T310-Q312 VanDerWaalsContact O-N 3.17Å; T310-Q312 PolarHBondContact OG1-N 2.92Å; T310-Q312 PolarHBondContact OG1-O 3.2Å; T310-Q312 VanDerWaalsContact OG1-O 3.04Å |
| 313 | L | 93.9 | Very high | 94.5 | Very high | 74 Ų | 74 | 26.6 Ų | 26.6 | 39% | 0.387 | 15% | 0.153 | S | C | . | . | trans | -107.4 | 132 | 168.2 | -59.6 | -178.1 | 0 | 0 | 0 | 109.1 | L264 L268 L303 A307 | L264-L313 HydrophobicContact CD2-CG 4.31Å; L268-L313 HydrophobicContact CD1-CD2 4.31Å; L303-L313 HydrophobicContact CB-CD2 4.12Å; L303-L313 HydrophobicContact CD2-CD2 4.3Å; A307-L313 HydrophobicContact CB-CD2 4.08Å | ||
| 314 | Q | 88.2 | Confident | 94.4 | Very high | 41 Ų | 41 | 26.1 Ų | 26.1 | 19% | 0.192 | 15% | 0.151 | C | C | . | . | trans | -135.1 | 177.1 | -173.3 | -66.8 | -179.4 | -26.5 | 0 | 0 | 111 | G316 S317 I318 | Q314-G316 VanDerWaalsContact C-N 3.26Å; Q314-G316 PolarHBondContact O-N 2.97Å; Q314-S317 PolarHBondContact N-OG 3.43Å; Q314-S317 PolarHBondContact O-N 3.22Å; Q314-S317 VanDerWaalsContact O-N 3.15Å; Q314-S317 PolarHBondContact O-OG 3.49Å; Q314-I318 WeakPolarHBondContact O-CG1 3.43Å; Q314-I318 PolarHBondContact O-N 2.93Å | ||
| 315 | C | 87.5 | Confident | 94.4 | Very high | 53 Ų | 53 | 27.6 Ų | 27.6 | 36% | 0.358 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -56.3 | -42 | -179 | -166.4 | 0 | 0 | 0 | 0 | 112.1 | S317 I318 I319 C380 | C315-S317 PolarHBondContact O-N 3.49Å; C315-I318 PolarHBondContact O-N 2.83Å; C315-I319 WeakPolarHBondContact O-CG1 3.12Å; C315-I319 PolarHBondContact O-N 3.43Å; C315-C380 HydrophobicContact CB-CB 3.87Å; C315-C380 WeakPolarHBondContact CB-SG 3.5Å; C315-C380 WeakPolarHBondContact SG-CB 3.43Å; C315-C380 CovalentContact SG-SG 2.05Å; C315-C380 PolarHBondContact SG-SG 3.03Å |
| 316 | G | 86 | Confident | 94.4 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 6% | 0.062 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.8 | -44.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q314 L320 | Q314-G316 VanDerWaalsContact C-N 3.26Å; Q314-G316 PolarHBondContact O-N 2.97Å; G316-L320 PolarHBondContact O-N 3.41Å |
| 317 | S | 91.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.6 | -41.6 | 176.7 | 72.8 | 0 | 0 | 0 | 0 | 111.9 | L303 Q314 C315 L320 A321 | L303-S317 VanDerWaalsContact CD2-C 3.48Å; L303-S317 WeakPolarHBondContact CD2-O 3.42Å; Q314-S317 PolarHBondContact N-OG 3.43Å; Q314-S317 PolarHBondContact O-N 3.22Å; Q314-S317 VanDerWaalsContact O-N 3.15Å; Q314-S317 PolarHBondContact O-OG 3.49Å; C315-S317 PolarHBondContact O-N 3.49Å; S317-L320 PolarHBondContact O-N 3.39Å; S317-A321 PolarHBondContact O-N 3.47Å |
| 318 | I | 92.5 | Very high | 94.4 | Very high | 90 Ų | 90 | 30.3 Ų | 30.3 | 46% | 0.462 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.1 | -44.9 | -179.3 | -65.7 | 166 | 0 | 0 | 0 | 110.6 | Q314 C315 L320 A321 C322 | Q314-I318 WeakPolarHBondContact O-CG1 3.43Å; Q314-I318 PolarHBondContact O-N 2.93Å; C315-I318 PolarHBondContact O-N 2.83Å; I318-L320 VanDerWaalsContact C-N 3.32Å; I318-L320 PolarHBondContact O-N 2.8Å; I318-A321 PolarHBondContact O-N 2.89Å; I318-C322 WeakPolarHBondContact O-CB 3.38Å; I318-C322 PolarHBondContact O-N 3.07Å; I318-C322 PolarHBondContact O-SG 3.05Å |
| 319 | I | 92.8 | Very high | 94.4 | Very high | 26 Ų | 26 | 30.1 Ų | 30.1 | 13% | 0.133 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 176.6 | -69.2 | -63.5 | 0 | 0 | 0 | 111.1 | C315 A321 C322 L323 C380 L393 | C315-I319 WeakPolarHBondContact O-CG1 3.12Å; C315-I319 PolarHBondContact O-N 3.43Å; I319-A321 PolarHBondContact O-N 3.31Å; I319-C322 PolarHBondContact O-N 3.49Å; I319-L323 WeakPolarHBondContact O-CB 3.19Å; I319-L323 PolarHBondContact O-N 3.02Å; I319-C380 HydrophobicContact CG1-CB 4.19Å; I319-L393 HydrophobicContact CG2-CD2 4.18Å |
| 320 | L | 92 | Very high | 94.5 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 7% | 0.068 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 177.2 | -176.6 | 59.2 | 0 | 0 | 0 | 111.7 | L176 P302 G316 S317 I318 L323 L324 M441 | L176-L320 HydrophobicContact CD1-CD2 4.1Å; P302-L320 HydrophobicContact CB-CD2 3.59Å; P302-L320 HydrophobicContact CB-CG 3.69Å; G316-L320 PolarHBondContact O-N 3.41Å; S317-L320 PolarHBondContact O-N 3.39Å; I318-L320 VanDerWaalsContact C-N 3.32Å; I318-L320 PolarHBondContact O-N 2.8Å; L320-L323 PolarHBondContact O-N 3Å; L320-L324 HydrophobicContact CD1-CD2 4.21Å; L320-L324 PolarHBondContact O-N 2.85Å; L320-L324 VanDerWaalsContact O-N 3.1Å; L320-M441 HydrophobicContact CD1-CE 3.67Å; L320-M441 HydrophobicContact CD1-SD 3.85Å |
| 321 | A | 95.6 | Very high | 94.6 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.3 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A299 L303 S317 I318 I319 L323 L324 Y325 | A299-A321 HydrophobicContact CB-CB 4.44Å; A299-A321 WeakPolarHBondContact CB-O 3.34Å; A299-A321 WeakPolarHBondContact O-CB 3.45Å; L303-A321 HydrophobicContact CD1-CB 3.82Å; L303-A321 HydrophobicContact CD2-CB 3.55Å; L303-A321 HydrophobicContact CG-CB 3.61Å; S317-A321 PolarHBondContact O-N 3.47Å; I318-A321 PolarHBondContact O-N 2.89Å; I319-A321 PolarHBondContact O-N 3.31Å; A321-L323 VanDerWaalsContact C-N 3.31Å; A321-L323 PolarHBondContact O-N 2.91Å; A321-L324 PolarHBondContact O-N 2.68Å; A321-Y325 VanDerWaalsContact O-CB 3.3Å; A321-Y325 WeakPolarHBondContact O-CB 3.31Å; A321-Y325 PolarHBondContact O-N 3.07Å |
| 322 | C | 96.2 | Very high | 94.6 | Very high | 52 Ų | 52 | 32.6 Ų | 32.6 | 35% | 0.351 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59 | -43.8 | 175.7 | -74.6 | 0 | 0 | 0 | 0 | 111 | I318 I319 Y325 V326 V373 | I318-C322 WeakPolarHBondContact O-CB 3.38Å; I318-C322 PolarHBondContact O-N 3.07Å; I318-C322 PolarHBondContact O-SG 3.05Å; I319-C322 PolarHBondContact O-N 3.49Å; C322-Y325 WeakPolarHBondContact O-CB 3.41Å; C322-Y325 PolarHBondContact O-N 2.83Å; C322-V326 VanDerWaalsContact O-CG2 3.27Å; C322-V326 WeakPolarHBondContact O-CG2 3.38Å; C322-V326 PolarHBondContact O-N 3.21Å; C322-V373 HydrophobicContact CB-CG1 3.96Å; C322-V373 HydrophobicContact CB-CG2 4.35Å |
| 323 | L | 95.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.8 | -46.7 | 178.7 | 178.9 | 55.4 | 0 | 0 | 0 | 111.3 | I319 L320 A321 Y325 V326 W327 V373 V440 M441 | I319-L323 WeakPolarHBondContact O-CB 3.19Å; I319-L323 PolarHBondContact O-N 3.02Å; L320-L323 PolarHBondContact O-N 3Å; A321-L323 VanDerWaalsContact C-N 3.31Å; A321-L323 PolarHBondContact O-N 2.91Å; L323-Y325 VanDerWaalsContact C-N 3.33Å; L323-Y325 PolarHBondContact O-N 3.5Å; L323-V326 WeakPolarHBondContact O-CG2 3.25Å; L323-V326 PolarHBondContact O-N 3Å; L323-W327 WeakPolarHBondContact O-CB 3.12Å; L323-W327 PolarHBondContact O-N 3.05Å; L323-V373 HydrophobicContact CB-CG1 3.99Å; L323-V440 HydrophobicContact CD2-CG1 3.93Å; L323-M441 HydrophobicContact CD2-CE 3.34Å; L323-M441 HydrophobicContact CG-CE 4.22Å |
| 324 | L | 95.8 | Very high | 94.9 | Very high | 12 Ų | 12 | 23.5 Ų | 23.5 | 6% | 0.063 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66 | -36 | 176.7 | -87.4 | -81.7 | 0 | 0 | 0 | 111.9 | P302 L320 A321 Q328 L437 M441 | P302-L324 HydrophobicContact CG-CG 3.95Å; L320-L324 HydrophobicContact CD1-CD2 4.21Å; L320-L324 PolarHBondContact O-N 2.85Å; L320-L324 VanDerWaalsContact O-N 3.1Å; A321-L324 PolarHBondContact O-N 2.68Å; L324-Q328 VanDerWaalsContact O-CG 3.27Å; L324-Q328 WeakPolarHBondContact O-CG 3.31Å; L324-Q328 PolarHBondContact O-N 2.79Å; L324-Q328 PolarHBondContact O-NE2 2.83Å; L324-L437 HydrophobicContact CD1-CD1 4.49Å; L324-L437 HydrophobicContact CD1-CD2 3.93Å; L324-L437 HydrophobicContact CD2-CD1 3.78Å; L324-M441 HydrophobicContact CD2-CE 4.06Å |
| 325 | Y | 98.2 | Very high | 95.3 | Very high | 34 Ų | 34 | 24.1 Ų | 24.1 | 13% | 0.133 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.9 | -54.5 | 174.7 | -178.5 | -93.2 | 0 | 0 | 0 | 111.3 | W292 A295 W296 A299 A321 C322 L323 Q328 F329 Y366 | W292-Y325 PolarHBondContact O-OH 3.12Å; A295-Y325 HydrophobicContact CB-CD2 3.57Å; A295-Y325 HydrophobicContact CB-CE2 3.41Å; A295-Y325 VanDerWaalsContact CB-CE2 3.41Å; A295-Y325 HydrophobicContact CB-CG 4.27Å; W296-Y325 AromaticContact CD1-CE2 3.67Å; W296-Y325 AromaticContact CD2-CD2 3.88Å; W296-Y325 HydrophobicContact CD2-CD2 3.88Å; W296-Y325 AromaticContact CD2-CE2 3.7Å; W296-Y325 HydrophobicContact CD2-CE2 3.7Å; W296-Y325 AromaticContact CE2-CE2 3.6Å; W296-Y325 HydrophobicContact CE3-CD2 4.14Å; W296-Y325 HydrophobicContact CE3-CE2 4.4Å; W296-Y325 HydrophobicContact CG-CD2 4.15Å; W296-Y325 AromaticContact CG-CE2 3.76Å; W296-Y325 HydrophobicContact CG-CE2 3.76Å; W296-Y325 HydrophobicContact CZ2-CE2 4.22Å; W296-Y325 AromaticContact NE1-CE2 3.57Å; A299-Y325 HydrophobicContact CB-CD2 4.45Å; A321-Y325 VanDerWaalsContact O-CB 3.3Å; A321-Y325 WeakPolarHBondContact O-CB 3.31Å; A321-Y325 PolarHBondContact O-N 3.07Å; C322-Y325 WeakPolarHBondContact O-CB 3.41Å; C322-Y325 PolarHBondContact O-N 2.83Å; L323-Y325 VanDerWaalsContact C-N 3.33Å; L323-Y325 PolarHBondContact O-N 3.5Å; Y325-Q328 PolarHBondContact O-N 3.19Å; Y325-F329 AromaticContact CD1-CE2 3.94Å; Y325-F329 HydrophobicContact CD1-CE2 3.94Å; Y325-F329 AromaticContact CE1-CE2 3.54Å; Y325-F329 HydrophobicContact CE1-CE2 3.54Å; Y325-F329 AromaticContact CE1-CZ 3.96Å; Y325-F329 HydrophobicContact CE1-CZ 3.96Å; Y325-F329 HydrophobicContact CE2-CE2 4.49Å; Y325-F329 AromaticContact CZ-CE2 3.83Å; Y325-F329 AromaticContact CZ-CZ 3.88Å; Y325-F329 VanDerWaalsContact O-CD2 3.3Å; Y325-F329 WeakPolarHBondContact O-CD2 3.4Å; Y325-F329 WeakPolarHBondContact O-CE2 3.49Å; Y325-Y366 HydrophobicContact CE1-CE1 4.13Å |
| 326 | V | 98 | Very high | 95.7 | Very high | 13 Ų | 13 | 22.1 Ų | 22.1 | 8% | 0.079 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -71.3 | -34.9 | -175.4 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | C322 L323 Q328 F329 P330 Y366 A369 S370 V373 | C322-V326 VanDerWaalsContact O-CG2 3.27Å; C322-V326 WeakPolarHBondContact O-CG2 3.38Å; C322-V326 PolarHBondContact O-N 3.21Å; L323-V326 WeakPolarHBondContact O-CG2 3.25Å; L323-V326 PolarHBondContact O-N 3Å; V326-Q328 VanDerWaalsContact C-N 3.25Å; V326-Q328 PolarHBondContact O-N 3.42Å; V326-F329 PolarHBondContact O-N 3.11Å; V326-P330 WeakPolarHBondContact O-CD 3.49Å; V326-Y366 HydrophobicContact CB-CD1 3.9Å; V326-Y366 HydrophobicContact CG1-CD1 3.93Å; V326-Y366 HydrophobicContact CG1-CE1 4.24Å; V326-A369 HydrophobicContact CB-CB 4.37Å; V326-A369 HydrophobicContact CG1-CB 4.2Å; V326-S370 WeakPolarHBondContact CG2-OG 3.48Å; V326-V373 HydrophobicContact CG1-CG2 4.36Å; V326-V373 HydrophobicContact CG2-CB 4.5Å; V326-V373 HydrophobicContact CG2-CG2 4.14Å |
| 327 | W | 97.7 | Very high | 96.2 | Very high | 32 Ų | 32 | 22 Ų | 22 | 12% | 0.121 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.1 | -31.4 | 178.4 | 172.5 | 87.7 | 0 | 0 | 0 | 113.2 | L323 F329 P330 H331 T433 H436 L437 | L323-W327 WeakPolarHBondContact O-CB 3.12Å; L323-W327 PolarHBondContact O-N 3.05Å; W327-F329 PolarHBondContact O-N 3.45Å; W327-P330 VanDerWaalsContact O-CD 3.26Å; W327-P330 WeakPolarHBondContact O-CD 3.43Å; W327-P330 WeakPolarHBondContact O-CG 3.36Å; W327-H331 HydrophobicContact CH2-CB 4.29Å; W327-H331 AromaticContact CH2-CG 3.93Å; W327-H331 AromaticContact CH2-ND1 3.95Å; W327-H331 HydrophobicContact CZ2-CB 4.38Å; W327-H331 HydrophobicContact CZ3-CB 4.47Å; W327-T433 VanDerWaalsContact CZ2-O 3.28Å; W327-T433 WeakPolarHBondContact CZ2-O 3.42Å; W327-T433 PolarHBondContact NE1-O 3.39Å; W327-H436 AromaticContact CD1-ND1 3.3Å; W327-H436 VanDerWaalsContact CD1-ND1 3.3Å; W327-H436 AromaticContact NE1-ND1 3.78Å; W327-L437 HydrophobicContact CD2-CB 4.14Å; W327-L437 HydrophobicContact CD2-CD2 4Å; W327-L437 HydrophobicContact CE3-CD2 4Å; W327-L437 HydrophobicContact CG-CB 4.34Å; W327-L437 HydrophobicContact CH2-CD2 4.15Å; W327-L437 HydrophobicContact CZ2-CB 4Å; W327-L437 HydrophobicContact CZ2-CD2 4.12Å; W327-L437 HydrophobicContact CZ3-CD2 4.09Å |
| 328 | Q | 97.9 | Very high | 96.3 | Very high | 15 Ų | 15 | 24.7 Ų | 24.7 | 7% | 0.07 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63 | -29.1 | -178.7 | -81.4 | 174.1 | 80.4 | 0 | 0 | 113.3 | A295 L324 Y325 V326 H331 F332 | A295-Q328 HydrophobicContact CB-CB 4.43Å; A295-Q328 PolarHBondContact O-NE2 3.22Å; L324-Q328 VanDerWaalsContact O-CG 3.27Å; L324-Q328 WeakPolarHBondContact O-CG 3.31Å; L324-Q328 PolarHBondContact O-N 2.79Å; L324-Q328 PolarHBondContact O-NE2 2.83Å; Y325-Q328 PolarHBondContact O-N 3.19Å; V326-Q328 VanDerWaalsContact C-N 3.25Å; V326-Q328 PolarHBondContact O-N 3.42Å; Q328-H331 WeakPolarHBondContact O-CB 3.45Å; Q328-H331 PolarHBondContact O-N 3.08Å; Q328-F332 HydrophobicContact CB-CD2 3.84Å; Q328-F332 HydrophobicContact CB-CE2 3.77Å; Q328-F332 HydrophobicContact CG-CD2 4.4Å; Q328-F332 HydrophobicContact CG-CE2 3.83Å; Q328-F332 WeakPolarHBondContact O-CB 3.48Å; Q328-F332 WeakPolarHBondContact O-CD2 3.37Å; Q328-F332 PolarHBondContact O-N 3.34Å |
| 329 | F | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.2 | -57.6 | -176.6 | -71 | -90.5 | 0 | 0 | 0 | 113.6 | T291 W292 A295 Y325 V326 W327 H331 F332 M333 V362 Y366 | T291-F329 HydrophobicContact CG2-CD1 4.38Å; T291-F329 HydrophobicContact CG2-CE1 4.43Å; W292-F329 HydrophobicContact CB-CE1 4.47Å; W292-F329 HydrophobicContact CB-CZ 4.37Å; W292-F329 AromaticContact CD1-CE1 3.51Å; W292-F329 AromaticContact CD1-CZ 3.56Å; W292-F329 AromaticContact CD2-CE1 3.88Å; W292-F329 HydrophobicContact CD2-CE1 3.88Å; W292-F329 AromaticContact CE2-CE1 3.79Å; W292-F329 AromaticContact CG-CE1 3.73Å; W292-F329 HydrophobicContact CG-CE1 3.73Å; W292-F329 AromaticContact CG-CZ 3.94Å; W292-F329 HydrophobicContact CG-CZ 3.94Å; W292-F329 AromaticContact NE1-CE1 3.53Å; W292-F329 AromaticContact NE1-CZ 3.98Å; A295-F329 HydrophobicContact CB-CE2 3.72Å; A295-F329 HydrophobicContact CB-CZ 3.9Å; Y325-F329 AromaticContact CD1-CE2 3.94Å; Y325-F329 HydrophobicContact CD1-CE2 3.94Å; Y325-F329 AromaticContact CE1-CE2 3.54Å; Y325-F329 HydrophobicContact CE1-CE2 3.54Å; Y325-F329 AromaticContact CE1-CZ 3.96Å; Y325-F329 HydrophobicContact CE1-CZ 3.96Å; Y325-F329 HydrophobicContact CE2-CE2 4.49Å; Y325-F329 AromaticContact CZ-CE2 3.83Å; Y325-F329 AromaticContact CZ-CZ 3.88Å; Y325-F329 VanDerWaalsContact O-CD2 3.3Å; Y325-F329 WeakPolarHBondContact O-CD2 3.4Å; Y325-F329 WeakPolarHBondContact O-CE2 3.49Å; V326-F329 PolarHBondContact O-N 3.11Å; W327-F329 PolarHBondContact O-N 3.45Å; F329-H331 PolarHBondContact O-N 2.81Å; F329-F332 PolarHBondContact O-N 3.45Å; F329-M333 HydrophobicContact CD1-CE 4.28Å; F329-M333 VanDerWaalsContact O-CB 3.25Å; F329-M333 WeakPolarHBondContact O-CB 3.48Å; F329-M333 WeakPolarHBondContact O-CG 3.38Å; F329-M333 PolarHBondContact O-N 3.36Å; F329-V362 HydrophobicContact CB-CG1 4.24Å; F329-V362 HydrophobicContact CD1-CG1 3.65Å; F329-V362 HydrophobicContact CE1-CG1 4.47Å; F329-V362 HydrophobicContact CG-CG1 4.31Å; F329-Y366 VanDerWaalsContact CB-CB 3.49Å; F329-Y366 HydrophobicContact CB-CD1 4.09Å; F329-Y366 HydrophobicContact CB-CD2 3.97Å; F329-Y366 HydrophobicContact CB-CG 3.59Å; F329-Y366 HydrophobicContact CD1-CD1 4.46Å; F329-Y366 HydrophobicContact CD1-CD2 4.04Å; F329-Y366 HydrophobicContact CD1-CE1 4.41Å; F329-Y366 AromaticContact CD1-CE2 3.98Å; F329-Y366 HydrophobicContact CD1-CE2 3.98Å; F329-Y366 HydrophobicContact CD1-CG 4.26Å; F329-Y366 AromaticContact CD2-CD1 3.24Å; F329-Y366 HydrophobicContact CD2-CD1 3.24Å; F329-Y366 HydrophobicContact CD2-CD2 4.22Å; F329-Y366 AromaticContact CD2-CE1 3.43Å; F329-Y366 HydrophobicContact CD2-CE1 3.43Å; F329-Y366 VanDerWaalsContact CD2-CE1 3.43Å; F329-Y366 HydrophobicContact CD2-CE2 4.37Å; F329-Y366 AromaticContact CD2-CG 3.66Å; F329-Y366 HydrophobicContact CD2-CG 3.66Å; F329-Y366 AromaticContact CD2-CZ 3.98Å; F329-Y366 HydrophobicContact CE1-CE1 4.33Å; F329-Y366 HydrophobicContact CE1-CE2 4.11Å; F329-Y366 AromaticContact CE1-CZ 3.94Å; F329-Y366 AromaticContact CE2-CD1 3.69Å; F329-Y366 HydrophobicContact CE2-CD1 3.69Å; F329-Y366 AromaticContact CE2-CE1 3.32Å; F329-Y366 HydrophobicContact CE2-CE1 3.32Å; F329-Y366 HydrophobicContact CE2-CE2 4.49Å; F329-Y366 HydrophobicContact CE2-CG 4.39Å; F329-Y366 AromaticContact CE2-CZ 3.77Å; F329-Y366 AromaticContact CG-CD1 3.68Å; F329-Y366 HydrophobicContact CG-CD1 3.68Å; F329-Y366 AromaticContact CG-CD2 3.81Å; F329-Y366 HydrophobicContact CG-CD2 3.81Å; F329-Y366 AromaticContact CG-CE1 3.98Å; F329-Y366 HydrophobicContact CG-CE1 3.98Å; F329-Y366 HydrophobicContact CG-CE2 4.09Å; F329-Y366 AromaticContact CG-CG 3.56Å; F329-Y366 HydrophobicContact CG-CG 3.56Å; F329-Y366 HydrophobicContact CZ-CD1 4.44Å; F329-Y366 AromaticContact CZ-CE1 3.79Å; F329-Y366 HydrophobicContact CZ-CE1 3.79Å; F329-Y366 HydrophobicContact CZ-CE2 4.36Å; F329-Y366 AromaticContact CZ-CZ 3.72Å |
| 330 | P | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.4 | -32.9 | 176.3 | 22 | -32.5 | 0 | 0 | 0 | 112.3 | V326 W327 A334 S367 L404 L429 T433 | V326-P330 WeakPolarHBondContact O-CD 3.49Å; W327-P330 VanDerWaalsContact O-CD 3.26Å; W327-P330 WeakPolarHBondContact O-CD 3.43Å; W327-P330 WeakPolarHBondContact O-CG 3.36Å; P330-A334 WeakPolarHBondContact O-CB 3.26Å; P330-A334 PolarHBondContact O-N 2.92Å; P330-A334 VanDerWaalsContact O-N 3.17Å; P330-S367 WeakPolarHBondContact CB-OG 3.37Å; P330-L404 HydrophobicContact CB-CD1 4.45Å; P330-L404 HydrophobicContact CG-CD1 4.49Å; P330-L404 HydrophobicContact CG-CD2 4.44Å; P330-L429 HydrophobicContact CB-CD1 4.24Å; P330-L429 HydrophobicContact CB-CD2 4.42Å; P330-T433 HydrophobicContact CB-CG2 3.93Å; P330-T433 HydrophobicContact CG-CG2 4.19Å |
| 331 | H | 97.8 | Very high | 96.5 | Very high | 24 Ų | 24 | 29 Ų | 29 | 11% | 0.111 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63 | -56.7 | 175.6 | -176 | 77.6 | 0 | 0 | 0 | 112.2 | W327 Q328 F329 A334 L335 F430 T433 | W327-H331 HydrophobicContact CH2-CB 4.29Å; W327-H331 AromaticContact CH2-CG 3.93Å; W327-H331 AromaticContact CH2-ND1 3.95Å; W327-H331 HydrophobicContact CZ2-CB 4.38Å; W327-H331 HydrophobicContact CZ3-CB 4.47Å; Q328-H331 WeakPolarHBondContact O-CB 3.45Å; Q328-H331 PolarHBondContact O-N 3.08Å; F329-H331 PolarHBondContact O-N 2.81Å; H331-A334 PolarHBondContact O-N 3.02Å; H331-L335 WeakPolarHBondContact O-CB 3.46Å; H331-L335 PolarHBondContact O-N 3.33Å; H331-F430 AromaticContact CE1-CD2 3.78Å; H331-F430 AromaticContact CE1-CE2 3.09Å; H331-F430 WeakPolarHBondContact CE1-CE2 3.39Å; H331-F430 AromaticContact CE1-CZ 3.69Å; H331-F430 AromaticContact ND1-CD2 3.8Å; H331-F430 AromaticContact ND1-CE2 3.6Å; H331-F430 AromaticContact NE2-CE2 3.54Å; H331-T433 HydrophobicContact CB-CG2 4.16Å; H331-T433 PolarHBondContact ND1-OG1 3.48Å |
| 332 | F | 97.6 | Very high | 96.5 | Very high | 72 Ų | 72 | 30.8 Ų | 30.8 | 32% | 0.316 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -72.7 | -34.5 | -176.7 | -71.1 | -53.3 | 0 | 0 | 0 | 113.5 | T291 Q328 F329 A334 L335 S336 | T291-F332 HydrophobicContact CG2-CB 4.3Å; Q328-F332 HydrophobicContact CB-CD2 3.84Å; Q328-F332 HydrophobicContact CB-CE2 3.77Å; Q328-F332 HydrophobicContact CG-CD2 4.4Å; Q328-F332 HydrophobicContact CG-CE2 3.83Å; Q328-F332 WeakPolarHBondContact O-CB 3.48Å; Q328-F332 WeakPolarHBondContact O-CD2 3.37Å; Q328-F332 PolarHBondContact O-N 3.34Å; F329-F332 PolarHBondContact O-N 3.45Å; F332-A334 VanDerWaalsContact C-N 3.32Å; F332-A334 PolarHBondContact O-N 3.32Å; F332-L335 HydrophobicContact CD1-CD2 4.38Å; F332-L335 PolarHBondContact O-N 3.37Å; F332-S336 VanDerWaalsContact O-CB 3.25Å; F332-S336 WeakPolarHBondContact O-CB 3.28Å; F332-S336 PolarHBondContact O-N 2.96Å; F332-S336 PolarHBondContact O-OG 3.19Å |
| 333 | M | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.5 | -39.7 | 175 | -66.7 | -54.4 | 159.5 | 0 | 0 | 111 | T291 W292 F329 S336 W337 T351 C359 V362 A363 | T291-M333 HydrophobicContact CG2-CE 3.59Å; W292-M333 HydrophobicContact CH2-CE 4.42Å; F329-M333 HydrophobicContact CD1-CE 4.28Å; F329-M333 VanDerWaalsContact O-CB 3.25Å; F329-M333 WeakPolarHBondContact O-CB 3.48Å; F329-M333 WeakPolarHBondContact O-CG 3.38Å; F329-M333 PolarHBondContact O-N 3.36Å; M333-S336 PolarHBondContact O-OG 3.44Å; M333-W337 PolarHBondContact O-N 2.99Å; M333-T351 HydrophobicContact SD-CG2 4.33Å; M333-C359 HydrophobicContact SD-CB 4.13Å; M333-C359 VanDerWaalsContact SD-SG 3.61Å; M333-V362 HydrophobicContact CE-CG1 3.83Å; M333-V362 HydrophobicContact CG-CB 4.49Å; M333-V362 HydrophobicContact CG-CG1 4.14Å; M333-A363 HydrophobicContact CB-CB 3.86Å; M333-A363 HydrophobicContact CG-CB 4.4Å |
| 334 | A | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.6 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | P330 H331 F332 N338 A426 L429 F430 | P330-A334 WeakPolarHBondContact O-CB 3.26Å; P330-A334 PolarHBondContact O-N 2.92Å; P330-A334 VanDerWaalsContact O-N 3.17Å; H331-A334 PolarHBondContact O-N 3.02Å; F332-A334 VanDerWaalsContact C-N 3.32Å; F332-A334 PolarHBondContact O-N 3.32Å; A334-N338 PolarHBondContact O-ND2 2.92Å; A334-A426 WeakPolarHBondContact CB-O 3.31Å; A334-L429 HydrophobicContact CB-CB 4.14Å; A334-L429 HydrophobicContact CB-CD2 4.02Å; A334-L429 HydrophobicContact CB-CG 3.96Å; A334-F430 HydrophobicContact CB-CB 3.87Å |
| 335 | L | 96.4 | Very high | 96.5 | Very high | 54 Ų | 54 | 38.8 Ų | 38.8 | 28% | 0.283 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.9 | -51.4 | 177.7 | 179.8 | 64.4 | 0 | 0 | 0 | 111.3 | H331 F332 W337 N338 M339 F430 | H331-L335 WeakPolarHBondContact O-CB 3.46Å; H331-L335 PolarHBondContact O-N 3.33Å; F332-L335 HydrophobicContact CD1-CD2 4.38Å; F332-L335 PolarHBondContact O-N 3.37Å; L335-W337 PolarHBondContact O-N 3.29Å; L335-N338 PolarHBondContact O-N 2.95Å; L335-M339 HydrophobicContact CD1-SD 4.12Å; L335-M339 HydrophobicContact CG-SD 4.32Å; L335-M339 PolarHBondContact O-N 2.92Å; L335-F430 HydrophobicContact CB-CD2 3.93Å; L335-F430 HydrophobicContact CB-CE2 3.88Å; L335-F430 HydrophobicContact CD1-CD2 4.4Å; L335-F430 HydrophobicContact CD1-CE2 3.86Å; L335-F430 HydrophobicContact CD1-CZ 4.14Å; L335-F430 HydrophobicContact CD2-CE2 4.4Å; L335-F430 HydrophobicContact CG-CE2 4.26Å |
| 336 | S | 96.3 | Very high | 96.4 | Very high | 11 Ų | 11 | 37.3 Ų | 37.3 | 8% | 0.077 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.5 | -21.3 | -176.4 | 63.7 | 0 | 0 | 0 | 0 | 113.6 | F332 M333 M339 R340 S352 | F332-S336 VanDerWaalsContact O-CB 3.25Å; F332-S336 WeakPolarHBondContact O-CB 3.28Å; F332-S336 PolarHBondContact O-N 2.96Å; F332-S336 PolarHBondContact O-OG 3.19Å; M333-S336 PolarHBondContact O-OG 3.44Å; S336-M339 PolarHBondContact O-N 3.22Å; S336-R340 PolarHBondContact O-N 2.93Å; S336-R340 VanDerWaalsContact O-N 3.15Å; S336-S352 PolarHBondContact O-OG 2.72Å |
| 337 | W | 96.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.011 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -48.4 | 174.8 | -168.8 | -87.7 | 0 | 0 | 0 | 112.4 | M333 L335 M339 R340 P356 K360 F411 A426 | M333-W337 PolarHBondContact O-N 2.99Å; L335-W337 PolarHBondContact O-N 3.29Å; W337-M339 VanDerWaalsContact C-N 3.26Å; W337-M339 PolarHBondContact O-N 3.4Å; W337-R340 WeakPolarHBondContact O-CD 3.32Å; W337-R340 WeakPolarHBondContact O-CG 3.45Å; W337-P356 HydrophobicContact CH2-CB 3.85Å; W337-P356 HydrophobicContact CZ3-CB 3.8Å; W337-P356 WeakPolarHBondContact CZ3-O 3.4Å; W337-K360 HydrophobicContact CH2-CD 4.05Å; W337-K360 HydrophobicContact CH2-CG 4.34Å; W337-K360 HydrophobicContact CZ3-CD 4.27Å; W337-K360 HydrophobicContact CZ3-CG 4.05Å; W337-F411 HydrophobicContact CB-CE2 4.44Å; W337-F411 HydrophobicContact CB-CZ 4.11Å; W337-F411 AromaticContact CD2-CE2 3.65Å; W337-F411 HydrophobicContact CD2-CE2 3.65Å; W337-F411 AromaticContact CD2-CZ 3.6Å; W337-F411 HydrophobicContact CD2-CZ 3.6Å; W337-F411 AromaticContact CE2-CE2 3.99Å; W337-F411 AromaticContact CE3-CE2 3.96Å; W337-F411 HydrophobicContact CE3-CE2 3.96Å; W337-F411 AromaticContact CE3-CZ 3.48Å; W337-F411 HydrophobicContact CE3-CZ 3.48Å; W337-F411 VanDerWaalsContact CE3-CZ 3.48Å; W337-F411 AromaticContact CG-CE2 3.86Å; W337-F411 HydrophobicContact CG-CE2 3.86Å; W337-F411 AromaticContact CG-CZ 3.87Å; W337-F411 HydrophobicContact CG-CZ 3.87Å; W337-F411 HydrophobicContact CZ3-CZ 4.14Å; W337-A426 HydrophobicContact CB-CB 3.83Å; W337-A426 HydrophobicContact CG-CB 3.91Å |
| 338 | N | 93.8 | Very high | 96.3 | Very high | 57 Ų | 57 | 37.6 Ų | 37.6 | 31% | 0.305 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -77.6 | -14.1 | -178.5 | -68.7 | -81.3 | 0 | 0 | 0 | 112.7 | A334 L335 S423 A426 R427 | A334-N338 PolarHBondContact O-ND2 2.92Å; L335-N338 PolarHBondContact O-N 2.95Å; N338-S423 WeakPolarHBondContact OD1-CB 3.4Å; N338-S423 PolarHBondContact OD1-O 2.9Å; N338-A426 WeakPolarHBondContact ND2-CB 3.22Å; N338-R427 PolarHBondContact OD1-NH1 3.07Å; N338-R427 VanDerWaalsContact OD1-NH1 3.07Å |
| 339 | M | 93.2 | Very high | 96.2 | Very high | 32 Ų | 32 | 37.4 Ų | 37.4 | 16% | 0.158 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 9.9 | -179.9 | -63.2 | -169.2 | 69.5 | 0 | 0 | 113.1 | M224 R226 L335 S336 W337 S341 E342 Y343 | M224-M339 HydrophobicContact CE-CE 3.75Å; R226-M339 HydrophobicContact CB-CE 4.22Å; L335-M339 HydrophobicContact CD1-SD 4.12Å; L335-M339 HydrophobicContact CG-SD 4.32Å; L335-M339 PolarHBondContact O-N 2.92Å; S336-M339 PolarHBondContact O-N 3.22Å; W337-M339 VanDerWaalsContact C-N 3.26Å; W337-M339 PolarHBondContact O-N 3.4Å; M339-S341 VanDerWaalsContact C-N 3.33Å; M339-S341 PolarHBondContact O-N 2.97Å; M339-E342 PolarHBondContact O-N 3.42Å; M339-Y343 HydrophobicContact CB-CD2 3.63Å; M339-Y343 HydrophobicContact CB-CE2 3.44Å; M339-Y343 VanDerWaalsContact CB-CE2 3.44Å; M339-Y343 HydrophobicContact CG-CE2 4.43Å; M339-Y343 WeakPolarHBondContact O-CD2 3.32Å; M339-Y343 PolarHBondContact O-N 2.94Å; M339-Y343 HydrophobicContact SD-CE2 4.35Å |
| 340 | R | 94 | Very high | 96.1 | Very high | 110 Ų | 110 | 38 Ų | 38 | 42% | 0.415 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.6 | -38.3 | -172.3 | 67.1 | -174.9 | -177.5 | 166 | 1.3 | 113.9 | S336 W337 Y343 S344 I353 | S336-R340 PolarHBondContact O-N 2.93Å; S336-R340 VanDerWaalsContact O-N 3.15Å; W337-R340 WeakPolarHBondContact O-CD 3.32Å; W337-R340 WeakPolarHBondContact O-CG 3.45Å; R340-Y343 PolarHBondContact O-N 2.66Å; R340-S344 VanDerWaalsContact O-CB 3.25Å; R340-S344 WeakPolarHBondContact O-CB 3.19Å; R340-S344 PolarHBondContact O-N 3.41Å; R340-I353 HydrophobicContact CB-CG1 4.14Å; R340-I353 WeakPolarHBondContact O-CD1 3.3Å |
| 341 | S | 94 | Very high | 96.1 | Very high | 78 Ų | 78 | 38 Ų | 38 | 55% | 0.545 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.4 | -46.6 | 179.9 | 49.6 | 0 | 0 | 0 | 0 | 111.3 | M339 S344 K345 | M339-S341 VanDerWaalsContact C-N 3.33Å; M339-S341 PolarHBondContact O-N 2.97Å; S341-S344 PolarHBondContact O-N 2.93Å; S341-K345 WeakPolarHBondContact O-CB 3.15Å; S341-K345 PolarHBondContact O-N 3.02Å |
| 342 | E | 95.3 | Very high | 95.9 | Very high | 44 Ų | 44 | 36.9 Ų | 36.9 | 21% | 0.206 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.6 | -43.1 | 177.3 | -62.5 | -72.3 | 95 | 0 | 0 | 111.3 | M224 T225 M339 S344 K345 A346 | M224-E342 HydrophobicContact CE-CB 4.28Å; M224-E342 HydrophobicContact CG-CB 4.28Å; T225-E342 WeakPolarHBondContact CB-OE2 3.19Å; T225-E342 PolarHBondContact N-OE2 3.13Å; T225-E342 PolarHBondContact OG1-OE2 3.49Å; M339-E342 PolarHBondContact O-N 3.42Å; E342-S344 VanDerWaalsContact C-N 3.35Å; E342-K345 PolarHBondContact O-N 3.15Å; E342-A346 WeakPolarHBondContact O-CB 3.32Å; E342-A346 PolarHBondContact O-N 3.41Å |
| 343 | Y | 96.2 | Very high | 95.8 | Very high | 24 Ų | 24 | 36 Ų | 36 | 9% | 0.094 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 175.7 | -78 | -51.6 | 0 | 0 | 0 | 111.8 | M224 M339 R340 A346 G347 Y348 M350 | M224-Y343 HydrophobicContact CE-CD1 3.77Å; M224-Y343 HydrophobicContact CE-CE1 3.59Å; M224-Y343 HydrophobicContact CE-CG 4.48Å; M224-Y343 HydrophobicContact SD-CD1 4.11Å; M224-Y343 HydrophobicContact SD-CE1 4.2Å; M339-Y343 HydrophobicContact CB-CD2 3.63Å; M339-Y343 HydrophobicContact CB-CE2 3.44Å; M339-Y343 VanDerWaalsContact CB-CE2 3.44Å; M339-Y343 HydrophobicContact CG-CE2 4.43Å; M339-Y343 WeakPolarHBondContact O-CD2 3.32Å; M339-Y343 PolarHBondContact O-N 2.94Å; M339-Y343 HydrophobicContact SD-CE2 4.35Å; R340-Y343 PolarHBondContact O-N 2.66Å; Y343-A346 PolarHBondContact O-N 2.85Å; Y343-G347 PolarHBondContact O-N 3.16Å; Y343-Y348 AromaticContact CD1-CD2 3.62Å; Y343-Y348 HydrophobicContact CD1-CD2 3.62Å; Y343-Y348 HydrophobicContact CD1-CE2 4.38Å; Y343-Y348 AromaticContact CD1-CG 3.98Å; Y343-Y348 HydrophobicContact CD1-CG 3.98Å; Y343-Y348 HydrophobicContact CE1-CD2 4.28Å; Y343-Y348 WeakPolarHBondContact O-CB 3.41Å; Y343-Y348 PolarHBondContact O-N 2.9Å; Y343-M350 HydrophobicContact CD1-CG 4.12Å; Y343-M350 HydrophobicContact CD2-CG 4.01Å; Y343-M350 HydrophobicContact CE2-CG 4.49Å; Y343-M350 HydrophobicContact CG-CG 3.83Å |
| 344 | S | 95.6 | Very high | 95.7 | Very high | 71 Ų | 71 | 40.4 Ų | 40.4 | 50% | 0.497 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65 | -42.4 | 177.7 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | R340 S341 E342 A346 G347 I353 | R340-S344 VanDerWaalsContact O-CB 3.25Å; R340-S344 WeakPolarHBondContact O-CB 3.19Å; R340-S344 PolarHBondContact O-N 3.41Å; S341-S344 PolarHBondContact O-N 2.93Å; E342-S344 VanDerWaalsContact C-N 3.35Å; S344-A346 VanDerWaalsContact C-N 3.34Å; S344-A346 PolarHBondContact O-N 3.49Å; S344-G347 PolarHBondContact O-N 2.97Å; S344-I353 VanDerWaalsContact N-CD1 3.34Å |
| 345 | K | 95.8 | Very high | 95.6 | Very high | 141 Ų | 141 | 43.1 Ų | 43.1 | 61% | 0.613 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -60.5 | -43.8 | 176.6 | -176.8 | -178.7 | 178.2 | -176.2 | 0 | 111.5 | Q223 S341 E342 G347 | Q223-K345 PolarHBondContact OE1-O 3.4Å; S341-K345 WeakPolarHBondContact O-CB 3.15Å; S341-K345 PolarHBondContact O-N 3.02Å; E342-K345 PolarHBondContact O-N 3.15Å; K345-G347 PolarHBondContact O-N 2.86Å |
| 346 | A | 96.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 8.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y220 Q223 M224 Q285 E342 Y343 S344 Y348 | Y220-A346 VanDerWaalsContact CD1-O 3.22Å; Y220-A346 WeakPolarHBondContact CD1-O 3.43Å; Q223-A346 HydrophobicContact CB-CB 4.15Å; M224-A346 HydrophobicContact CG-CB 3.82Å; M224-A346 HydrophobicContact SD-CB 4.21Å; Q285-A346 PolarHBondContact NE2-O 2.88Å; E342-A346 WeakPolarHBondContact O-CB 3.32Å; E342-A346 PolarHBondContact O-N 3.41Å; Y343-A346 PolarHBondContact O-N 2.85Å; S344-A346 VanDerWaalsContact C-N 3.34Å; S344-A346 PolarHBondContact O-N 3.49Å; A346-Y348 VanDerWaalsContact C-N 3.34Å; A346-Y348 HydrophobicContact CB-CD2 3.8Å; A346-Y348 HydrophobicContact CB-CE2 3.98Å; A346-Y348 PolarHBondContact O-N 3.29Å |
| 347 | G | 95.2 | Very high | 95.5 | Very high | 44 Ų | 44 | 46 Ų | 46 | 45% | 0.454 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 10.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q285 Y343 S344 K345 | Q285-G347 PolarHBondContact OE1-O 3.28Å; Q285-G347 VanDerWaalsContact OE1-O 3.06Å; Y343-G347 PolarHBondContact O-N 3.16Å; S344-G347 PolarHBondContact O-N 2.97Å; K345-G347 PolarHBondContact O-N 2.86Å |
| 348 | Y | 97.2 | Very high | 95.5 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | trans | -73.5 | 132.6 | -176.9 | -77.1 | -66.8 | 0 | 0 | 0 | 113.1 | M224 K284 Q285 Y343 A346 M350 I353 | M224-Y348 HydrophobicContact SD-CD2 4.03Å; M224-Y348 HydrophobicContact SD-CE2 3.65Å; K284-Y348 HydrophobicContact CB-CD1 3.62Å; K284-Y348 HydrophobicContact CB-CE1 3.65Å; K284-Y348 HydrophobicContact CD-CE1 4.21Å; K284-Y348 PolarHBondContact NZ-OH 2.96Å; K284-Y348 WeakPolarHBondContact O-CD1 3.28Å; Q285-Y348 HydrophobicContact CG-CD1 4.44Å; Q285-Y348 HydrophobicContact CG-CE1 4.37Å; Y343-Y348 AromaticContact CD1-CD2 3.62Å; Y343-Y348 HydrophobicContact CD1-CD2 3.62Å; Y343-Y348 HydrophobicContact CD1-CE2 4.38Å; Y343-Y348 AromaticContact CD1-CG 3.98Å; Y343-Y348 HydrophobicContact CD1-CG 3.98Å; Y343-Y348 HydrophobicContact CE1-CD2 4.28Å; Y343-Y348 WeakPolarHBondContact O-CB 3.41Å; Y343-Y348 PolarHBondContact O-N 2.9Å; A346-Y348 VanDerWaalsContact C-N 3.34Å; A346-Y348 HydrophobicContact CB-CD2 3.8Å; A346-Y348 HydrophobicContact CB-CE2 3.98Å; A346-Y348 PolarHBondContact O-N 3.29Å; Y348-M350 VanDerWaalsContact C-N 3.3Å; Y348-M350 HydrophobicContact CD1-CE 3.98Å; Y348-M350 HydrophobicContact CG-CE 4.15Å; Y348-M350 PolarHBondContact O-N 3.48Å; Y348-I353 WeakPolarHBondContact O-CD1 3.42Å | ||
| 349 | A | 96.6 | Very high | 95.6 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 8% | 0.083 | 25% | 0.245 | C | C | . | . | trans | -83.1 | 63.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K284 S287 Q288 N290 I354 | K284-A349 PolarHBondContact O-N 3.42Å; S287-A349 CarbonylContact C-O 3.58Å; Q288-A349 WeakPolarHBondContact CA-O 3.29Å; Q288-A349 PolarHBondContact N-O 2.98Å; N290-A349 PolarHBondContact ND2-O 3.3Å; A349-I354 HydrophobicContact CB-CD1 3.72Å | ||
| 350 | M | 97 | Very high | 95.8 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.059 | 24% | 0.238 | C | C | . | . | trans | -84.4 | 144.5 | 179.4 | -61.7 | -63.6 | 133 | 0 | 0 | 111.9 | K284 Y343 Y348 S352 I353 I354 | K284-M350 HydrophobicContact CB-CE 4.05Å; K284-M350 HydrophobicContact CG-CE 4.19Å; Y343-M350 HydrophobicContact CD1-CG 4.12Å; Y343-M350 HydrophobicContact CD2-CG 4.01Å; Y343-M350 HydrophobicContact CE2-CG 4.49Å; Y343-M350 HydrophobicContact CG-CG 3.83Å; Y348-M350 VanDerWaalsContact C-N 3.3Å; Y348-M350 HydrophobicContact CD1-CE 3.98Å; Y348-M350 HydrophobicContact CG-CE 4.15Å; Y348-M350 PolarHBondContact O-N 3.48Å; M350-S352 PolarHBondContact O-N 2.98Å; M350-I353 HydrophobicContact CB-CD1 4.12Å; M350-I353 HydrophobicContact CB-CG1 4.42Å; M350-I353 PolarHBondContact O-N 3.37Å; M350-I354 PolarHBondContact O-N 2.82Å | ||
| 351 | T | 96.9 | Very high | 96 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.3 | -34.7 | 175.8 | -45.7 | 0 | 0 | 0 | 0 | 111.8 | W292 M333 I353 N355 L358 C359 | W292-T351 HydrophobicContact CH2-CG2 4.37Å; M333-T351 HydrophobicContact SD-CG2 4.33Å; T351-I353 PolarHBondContact O-N 2.62Å; T351-N355 CarbonylContact O-C 3.02Å; T351-N355 PolarHBondContact O-N 3.24Å; T351-L358 HydrophobicContact CG2-CB 4.24Å; T351-L358 HydrophobicContact CG2-CD2 4.12Å; T351-L358 HydrophobicContact CG2-CG 4.06Å; T351-C359 HydrophobicContact CG2-CB 3.92Å |
| 352 | S | 95.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.7 | -17.2 | 176.7 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | S336 M350 | S336-S352 PolarHBondContact O-OG 2.72Å; M350-S352 PolarHBondContact O-N 2.98Å |
| 353 | I | 95.1 | Very high | 96.4 | Very high | 52 Ų | 52 | 37.7 Ų | 37.7 | 27% | 0.267 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -100 | -52.7 | 177 | -61.2 | 164.2 | 0 | 0 | 0 | 109.7 | R340 S344 Y348 M350 T351 | R340-I353 HydrophobicContact CB-CG1 4.14Å; R340-I353 WeakPolarHBondContact O-CD1 3.3Å; S344-I353 VanDerWaalsContact N-CD1 3.34Å; Y348-I353 WeakPolarHBondContact O-CD1 3.42Å; M350-I353 HydrophobicContact CB-CD1 4.12Å; M350-I353 HydrophobicContact CB-CG1 4.42Å; M350-I353 PolarHBondContact O-N 3.37Å; T351-I353 PolarHBondContact O-N 2.62Å |
| 354 | I | 95.7 | Very high | 96.5 | Very high | 93 Ų | 93 | 38.4 Ų | 38.4 | 48% | 0.477 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.8 | -45.2 | -172.9 | -66.3 | 171.7 | 0 | 0 | 0 | 111.3 | Q288 A349 M350 | Q288-I354 HydrophobicContact CB-CD1 4.12Å; A349-I354 HydrophobicContact CB-CD1 3.72Å; M350-I354 PolarHBondContact O-N 2.82Å |
| 355 | N | 95.5 | Very high | 96.6 | Very high | 57 Ų | 57 | 42.4 Ų | 42.4 | 31% | 0.305 | 21% | 0.212 | S | C | . | . | trans | -143.7 | 80.3 | -178.9 | -167.2 | -32.3 | 0 | 0 | 0 | 110.2 | T351 D357 L358 C359 | T351-N355 CarbonylContact O-C 3.02Å; T351-N355 PolarHBondContact O-N 3.24Å; N355-D357 PolarHBondContact O-N 3.39Å; N355-L358 HydrophobicContact CB-CB 3.74Å; N355-L358 HydrophobicContact CB-CD2 4.34Å; N355-L358 WeakPolarHBondContact O-CA 3.37Å; N355-L358 WeakPolarHBondContact O-CB 3.36Å; N355-L358 PolarHBondContact O-N 3.24Å; N355-L358 VanDerWaalsContact OD1-CB 3.24Å; N355-L358 WeakPolarHBondContact OD1-CB 3.38Å; N355-L358 PolarHBondContact OD1-N 3.02Å; N355-C359 PolarHBondContact O-N 2.73Å | ||
| 356 | P | 94.6 | Very high | 96.7 | Very high | 41 Ų | 41 | 38 Ų | 38 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -55.9 | -36.1 | -177 | -24.9 | 33 | 0 | 0 | 0 | 113.5 | W337 C359 K360 | W337-P356 HydrophobicContact CH2-CB 3.85Å; W337-P356 HydrophobicContact CZ3-CB 3.8Å; W337-P356 WeakPolarHBondContact CZ3-O 3.4Å; P356-C359 WeakPolarHBondContact O-CB 3.41Å; P356-C359 PolarHBondContact O-N 3.09Å; P356-K360 PolarHBondContact O-N 3.28Å |
| 357 | D | 95.1 | Very high | 96.8 | Very high | 86 Ų | 86 | 37.9 Ų | 37.9 | 46% | 0.46 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -71.8 | -36 | 178 | -62.6 | -32.9 | 0 | 0 | 0 | 111.8 | N355 C359 K360 R361 S416 | N355-D357 PolarHBondContact O-N 3.39Å; D357-C359 VanDerWaalsContact C-N 3.34Å; D357-K360 PolarHBondContact O-N 2.67Å; D357-R361 WeakPolarHBondContact O-CG 3.24Å; D357-R361 PolarHBondContact O-N 2.89Å; D357-S416 PolarHBondContact OD1-OG 3.4Å |
| 358 | L | 96.3 | Very high | 97 | Very high | 33 Ų | 33 | 39.2 Ų | 39.2 | 17% | 0.173 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 171 | -179.6 | 63.9 | 0 | 0 | 0 | 111.1 | T351 N355 K360 R361 V362 | T351-L358 HydrophobicContact CG2-CB 4.24Å; T351-L358 HydrophobicContact CG2-CD2 4.12Å; T351-L358 HydrophobicContact CG2-CG 4.06Å; N355-L358 HydrophobicContact CB-CB 3.74Å; N355-L358 HydrophobicContact CB-CD2 4.34Å; N355-L358 WeakPolarHBondContact O-CA 3.37Å; N355-L358 WeakPolarHBondContact O-CB 3.36Å; N355-L358 PolarHBondContact O-N 3.24Å; N355-L358 VanDerWaalsContact OD1-CB 3.24Å; N355-L358 WeakPolarHBondContact OD1-CB 3.38Å; N355-L358 PolarHBondContact OD1-N 3.02Å; L358-K360 VanDerWaalsContact C-N 3.3Å; L358-K360 PolarHBondContact O-N 3.3Å; L358-R361 PolarHBondContact O-N 2.94Å; L358-R361 VanDerWaalsContact O-N 3.16Å; L358-V362 HydrophobicContact CD1-CG2 3.74Å; L358-V362 HydrophobicContact CG-CG2 3.93Å; L358-V362 WeakPolarHBondContact O-CB 3.25Å; L358-V362 VanDerWaalsContact O-CG2 3.23Å; L358-V362 WeakPolarHBondContact O-CG2 3.48Å; L358-V362 PolarHBondContact O-N 3.08Å |
| 359 | C | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -53.5 | -48.8 | 175.6 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | M333 T351 N355 P356 D357 V362 A363 | M333-C359 HydrophobicContact SD-CB 4.13Å; M333-C359 VanDerWaalsContact SD-SG 3.61Å; T351-C359 HydrophobicContact CG2-CB 3.92Å; N355-C359 PolarHBondContact O-N 2.73Å; P356-C359 WeakPolarHBondContact O-CB 3.41Å; P356-C359 PolarHBondContact O-N 3.09Å; D357-C359 VanDerWaalsContact C-N 3.34Å; C359-V362 PolarHBondContact O-N 3.48Å; C359-A363 WeakPolarHBondContact O-CB 3.17Å; C359-A363 PolarHBondContact O-N 3.48Å |
| 360 | K | 96.9 | Very high | 97 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 174.5 | -80.3 | 177 | 173.4 | 176.8 | 0 | 113.1 | W337 P356 D357 L358 A363 L364 F411 S414 S416 S422 | W337-K360 HydrophobicContact CH2-CD 4.05Å; W337-K360 HydrophobicContact CH2-CG 4.34Å; W337-K360 HydrophobicContact CZ3-CD 4.27Å; W337-K360 HydrophobicContact CZ3-CG 4.05Å; P356-K360 PolarHBondContact O-N 3.28Å; D357-K360 PolarHBondContact O-N 2.67Å; L358-K360 VanDerWaalsContact C-N 3.3Å; L358-K360 PolarHBondContact O-N 3.3Å; K360-A363 PolarHBondContact O-N 2.84Å; K360-L364 PolarHBondContact O-N 3.46Å; K360-F411 WeakPolarHBondContact CE-O 3.45Å; K360-F411 HydrophobicContact CG-CD1 4.22Å; K360-F411 HydrophobicContact CG-CD2 4.44Å; K360-F411 HydrophobicContact CG-CE1 3.83Å; K360-F411 HydrophobicContact CG-CE2 4.05Å; K360-F411 HydrophobicContact CG-CZ 3.75Å; K360-S414 WeakPolarHBondContact CE-OG 3.35Å; K360-S414 PolarHBondContact NZ-O 2.67Å; K360-S414 PolarHBondContact NZ-OG 3.05Å; K360-S416 PolarHBondContact NZ-OG 3.31Å; K360-S422 PolarHBondContact NZ-OG 2.97Å |
| 361 | R | 97.9 | Very high | 97 | Very high | 105 Ų | 105 | 40 Ų | 40 | 40% | 0.396 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 178.7 | -71.6 | -170.2 | -55.3 | -89.2 | 2.1 | 112.4 | D357 L358 L364 R365 | D357-R361 WeakPolarHBondContact O-CG 3.24Å; D357-R361 PolarHBondContact O-N 2.89Å; L358-R361 PolarHBondContact O-N 2.94Å; L358-R361 VanDerWaalsContact O-N 3.16Å; R361-L364 PolarHBondContact O-N 3.13Å; R361-R365 WeakPolarHBondContact O-CB 3.38Å; R361-R365 VanDerWaalsContact O-CG 3.25Å; R361-R365 WeakPolarHBondContact O-CG 3.33Å; R361-R365 PolarHBondContact O-N 2.97Å |
| 362 | V | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 178.3 | 169.3 | 0 | 0 | 0 | 0 | 110.1 | W292 F329 M333 L358 C359 L364 R365 Y366 | W292-V362 HydrophobicContact CH2-CG2 4.31Å; W292-V362 HydrophobicContact CZ2-CG1 4.25Å; W292-V362 HydrophobicContact CZ2-CG2 3.86Å; F329-V362 HydrophobicContact CB-CG1 4.24Å; F329-V362 HydrophobicContact CD1-CG1 3.65Å; F329-V362 HydrophobicContact CE1-CG1 4.47Å; F329-V362 HydrophobicContact CG-CG1 4.31Å; M333-V362 HydrophobicContact CE-CG1 3.83Å; M333-V362 HydrophobicContact CG-CB 4.49Å; M333-V362 HydrophobicContact CG-CG1 4.14Å; L358-V362 HydrophobicContact CD1-CG2 3.74Å; L358-V362 HydrophobicContact CG-CG2 3.93Å; L358-V362 WeakPolarHBondContact O-CB 3.25Å; L358-V362 VanDerWaalsContact O-CG2 3.23Å; L358-V362 WeakPolarHBondContact O-CG2 3.48Å; L358-V362 PolarHBondContact O-N 3.08Å; C359-V362 PolarHBondContact O-N 3.48Å; V362-L364 VanDerWaalsContact C-N 3.3Å; V362-L364 PolarHBondContact O-N 3.2Å; V362-R365 PolarHBondContact O-N 2.84Å; V362-Y366 HydrophobicContact CG1-CD2 3.69Å; V362-Y366 HydrophobicContact CG1-CE2 3.92Å; V362-Y366 WeakPolarHBondContact O-CB 3.42Å; V362-Y366 WeakPolarHBondContact O-CD2 3.43Å; V362-Y366 PolarHBondContact O-N 3.12Å |
| 363 | A | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.7 | -45.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M333 C359 K360 S367 F411 L429 | M333-A363 HydrophobicContact CB-CB 3.86Å; M333-A363 HydrophobicContact CG-CB 4.4Å; C359-A363 WeakPolarHBondContact O-CB 3.17Å; C359-A363 PolarHBondContact O-N 3.48Å; K360-A363 PolarHBondContact O-N 2.84Å; A363-S367 WeakPolarHBondContact O-CB 3.38Å; A363-S367 PolarHBondContact O-N 2.92Å; A363-S367 VanDerWaalsContact O-N 3.11Å; A363-S367 PolarHBondContact O-OG 2.7Å; A363-F411 HydrophobicContact CB-CD1 4.01Å; A363-F411 HydrophobicContact CB-CE1 4.12Å; A363-L429 HydrophobicContact CB-CD2 4.02Å |
| 364 | L | 98.6 | Very high | 96.9 | Very high | 38 Ų | 38 | 43.6 Ų | 43.6 | 20% | 0.199 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.4 | -50 | 177.2 | 178.7 | 58.5 | 0 | 0 | 0 | 112.7 | K360 R361 V362 Y366 S367 I368 I405 A408 W409 A412 | K360-L364 PolarHBondContact O-N 3.46Å; R361-L364 PolarHBondContact O-N 3.13Å; V362-L364 VanDerWaalsContact C-N 3.3Å; V362-L364 PolarHBondContact O-N 3.2Å; L364-Y366 VanDerWaalsContact C-N 3.3Å; L364-Y366 PolarHBondContact O-N 3.4Å; L364-S367 WeakPolarHBondContact O-CB 3.46Å; L364-S367 PolarHBondContact O-N 3.02Å; L364-S367 VanDerWaalsContact O-N 3.14Å; L364-I368 HydrophobicContact CD1-CD1 4.14Å; L364-I368 HydrophobicContact CD1-CG1 4.4Å; L364-I368 HydrophobicContact CG-CD1 4.2Å; L364-I368 WeakPolarHBondContact O-CG1 3.2Å; L364-I368 PolarHBondContact O-N 2.99Å; L364-I405 HydrophobicContact CD1-CG2 4.4Å; L364-A408 HydrophobicContact CB-CB 4.49Å; L364-A408 HydrophobicContact CD1-CB 4.11Å; L364-W409 HydrophobicContact CD1-CB 4.11Å; L364-A412 HydrophobicContact CB-CB 4.2Å; L364-A412 HydrophobicContact CD2-CB 3.99Å |
| 365 | R | 98.5 | Very high | 96.9 | Very high | 155 Ų | 155 | 44.4 Ų | 44.4 | 59% | 0.585 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -56.2 | -44.8 | -179.2 | -76.7 | 174.5 | -179.4 | -175.9 | -1.7 | 111.7 | R361 V362 I368 A369 | R361-R365 WeakPolarHBondContact O-CB 3.38Å; R361-R365 VanDerWaalsContact O-CG 3.25Å; R361-R365 WeakPolarHBondContact O-CG 3.33Å; R361-R365 PolarHBondContact O-N 2.97Å; V362-R365 PolarHBondContact O-N 2.84Å; R365-I368 PolarHBondContact O-N 2.93Å; R365-A369 PolarHBondContact O-N 3.48Å |
| 366 | Y | 98.5 | Very high | 96.7 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 19% | 0.192 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -78.4 | -23.4 | -179.6 | -79.6 | -93.2 | 0 | 0 | 0 | 113.4 | W292 Y325 V326 F329 V362 L364 I368 A369 S370 | W292-Y366 PolarHBondContact NE1-OH 3.19Å; Y325-Y366 HydrophobicContact CE1-CE1 4.13Å; V326-Y366 HydrophobicContact CB-CD1 3.9Å; V326-Y366 HydrophobicContact CG1-CD1 3.93Å; V326-Y366 HydrophobicContact CG1-CE1 4.24Å; F329-Y366 VanDerWaalsContact CB-CB 3.49Å; F329-Y366 HydrophobicContact CB-CD1 4.09Å; F329-Y366 HydrophobicContact CB-CD2 3.97Å; F329-Y366 HydrophobicContact CB-CG 3.59Å; F329-Y366 HydrophobicContact CD1-CD1 4.46Å; F329-Y366 HydrophobicContact CD1-CD2 4.04Å; F329-Y366 HydrophobicContact CD1-CE1 4.41Å; F329-Y366 AromaticContact CD1-CE2 3.98Å; F329-Y366 HydrophobicContact CD1-CE2 3.98Å; F329-Y366 HydrophobicContact CD1-CG 4.26Å; F329-Y366 AromaticContact CD2-CD1 3.24Å; F329-Y366 HydrophobicContact CD2-CD1 3.24Å; F329-Y366 HydrophobicContact CD2-CD2 4.22Å; F329-Y366 AromaticContact CD2-CE1 3.43Å; F329-Y366 HydrophobicContact CD2-CE1 3.43Å; F329-Y366 VanDerWaalsContact CD2-CE1 3.43Å; F329-Y366 HydrophobicContact CD2-CE2 4.37Å; F329-Y366 AromaticContact CD2-CG 3.66Å; F329-Y366 HydrophobicContact CD2-CG 3.66Å; F329-Y366 AromaticContact CD2-CZ 3.98Å; F329-Y366 HydrophobicContact CE1-CE1 4.33Å; F329-Y366 HydrophobicContact CE1-CE2 4.11Å; F329-Y366 AromaticContact CE1-CZ 3.94Å; F329-Y366 AromaticContact CE2-CD1 3.69Å; F329-Y366 HydrophobicContact CE2-CD1 3.69Å; F329-Y366 AromaticContact CE2-CE1 3.32Å; F329-Y366 HydrophobicContact CE2-CE1 3.32Å; F329-Y366 HydrophobicContact CE2-CE2 4.49Å; F329-Y366 HydrophobicContact CE2-CG 4.39Å; F329-Y366 AromaticContact CE2-CZ 3.77Å; F329-Y366 AromaticContact CG-CD1 3.68Å; F329-Y366 HydrophobicContact CG-CD1 3.68Å; F329-Y366 AromaticContact CG-CD2 3.81Å; F329-Y366 HydrophobicContact CG-CD2 3.81Å; F329-Y366 AromaticContact CG-CE1 3.98Å; F329-Y366 HydrophobicContact CG-CE1 3.98Å; F329-Y366 HydrophobicContact CG-CE2 4.09Å; F329-Y366 AromaticContact CG-CG 3.56Å; F329-Y366 HydrophobicContact CG-CG 3.56Å; F329-Y366 HydrophobicContact CZ-CD1 4.44Å; F329-Y366 AromaticContact CZ-CE1 3.79Å; F329-Y366 HydrophobicContact CZ-CE1 3.79Å; F329-Y366 HydrophobicContact CZ-CE2 4.36Å; F329-Y366 AromaticContact CZ-CZ 3.72Å; V362-Y366 HydrophobicContact CG1-CD2 3.69Å; V362-Y366 HydrophobicContact CG1-CE2 3.92Å; V362-Y366 WeakPolarHBondContact O-CB 3.42Å; V362-Y366 WeakPolarHBondContact O-CD2 3.43Å; V362-Y366 PolarHBondContact O-N 3.12Å; L364-Y366 VanDerWaalsContact C-N 3.3Å; L364-Y366 PolarHBondContact O-N 3.4Å; Y366-I368 VanDerWaalsContact C-N 3.33Å; Y366-A369 PolarHBondContact O-N 2.9Å; Y366-S370 PolarHBondContact O-N 3.21Å; Y366-S370 PolarHBondContact O-OG 3.37Å |
| 367 | S | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -39.3 | 167.3 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | P330 A363 L364 S371 A408 | P330-S367 WeakPolarHBondContact CB-OG 3.37Å; A363-S367 WeakPolarHBondContact O-CB 3.38Å; A363-S367 PolarHBondContact O-N 2.92Å; A363-S367 VanDerWaalsContact O-N 3.11Å; A363-S367 PolarHBondContact O-OG 2.7Å; L364-S367 WeakPolarHBondContact O-CB 3.46Å; L364-S367 PolarHBondContact O-N 3.02Å; L364-S367 VanDerWaalsContact O-N 3.14Å; S367-S371 PolarHBondContact O-N 3.45Å; S367-S371 PolarHBondContact O-OG 3.24Å; S367-A408 WeakPolarHBondContact OG-CB 3.38Å |
| 368 | I | 98.4 | Very high | 96.2 | Very high | 73 Ų | 73 | 40 Ų | 40 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.1 | -45.3 | 172.1 | -62.9 | 166.8 | 0 | 0 | 0 | 109.7 | L364 R365 Y366 S370 S371 L372 I405 | L364-I368 HydrophobicContact CD1-CD1 4.14Å; L364-I368 HydrophobicContact CD1-CG1 4.4Å; L364-I368 HydrophobicContact CG-CD1 4.2Å; L364-I368 WeakPolarHBondContact O-CG1 3.2Å; L364-I368 PolarHBondContact O-N 2.99Å; R365-I368 PolarHBondContact O-N 2.93Å; Y366-I368 VanDerWaalsContact C-N 3.33Å; I368-S370 VanDerWaalsContact C-N 3.33Å; I368-S370 PolarHBondContact O-N 2.9Å; I368-S371 WeakPolarHBondContact O-CA 3.36Å; I368-S371 WeakPolarHBondContact O-CB 3.26Å; I368-S371 PolarHBondContact O-N 2.85Å; I368-L372 HydrophobicContact CG2-CD1 4.25Å; I368-L372 HydrophobicContact CG2-CG 4.42Å; I368-L372 PolarHBondContact O-N 3.32Å; I368-I405 HydrophobicContact CG1-CD1 4.17Å; I368-I405 HydrophobicContact CG1-CG1 4.13Å; I368-I405 HydrophobicContact CG1-CG2 4.38Å |
| 369 | A | 98.1 | Very high | 95.9 | Very high | 26 Ų | 26 | 40.3 Ų | 40.3 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.8 | -40.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V326 R365 Y366 S371 L372 V373 | V326-A369 HydrophobicContact CB-CB 4.37Å; V326-A369 HydrophobicContact CG1-CB 4.2Å; R365-A369 PolarHBondContact O-N 3.48Å; Y366-A369 PolarHBondContact O-N 2.9Å; A369-S371 PolarHBondContact O-N 2.62Å; A369-L372 PolarHBondContact O-N 2.87Å; A369-L372 VanDerWaalsContact O-N 3.16Å; A369-V373 WeakPolarHBondContact O-CG2 3.26Å; A369-V373 PolarHBondContact O-N 2.97Å |
| 370 | S | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.2 | -42.9 | 172.4 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | V326 Y366 I368 V373 C374 | V326-S370 WeakPolarHBondContact CG2-OG 3.48Å; Y366-S370 PolarHBondContact O-N 3.21Å; Y366-S370 PolarHBondContact O-OG 3.37Å; I368-S370 VanDerWaalsContact C-N 3.33Å; I368-S370 PolarHBondContact O-N 2.9Å; S370-V373 PolarHBondContact O-N 3.44Å; S370-C374 PolarHBondContact O-N 3.39Å; S370-C374 PolarHBondContact O-SG 3.32Å; S370-C374 VanDerWaalsContact O-SG 3.35Å |
| 371 | S | 95.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.5 | -39.8 | 179.6 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | S367 I368 A369 C374 L375 N401 I405 | S367-S371 PolarHBondContact O-N 3.45Å; S367-S371 PolarHBondContact O-OG 3.24Å; I368-S371 WeakPolarHBondContact O-CA 3.36Å; I368-S371 WeakPolarHBondContact O-CB 3.26Å; I368-S371 PolarHBondContact O-N 2.85Å; A369-S371 PolarHBondContact O-N 2.62Å; S371-C374 PolarHBondContact O-N 3.39Å; S371-L375 PolarHBondContact O-N 2.93Å; S371-N401 VanDerWaalsContact OG-CB 3.3Å; S371-N401 WeakPolarHBondContact OG-CB 3.29Å; S371-I405 VanDerWaalsContact OG-CD1 3.28Å; S371-I405 WeakPolarHBondContact OG-CD1 3.31Å |
| 372 | L | 95.9 | Very high | 94.3 | Very high | 104 Ų | 104 | 38.6 Ų | 38.6 | 55% | 0.545 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.7 | -37.5 | 175 | -65 | 176.9 | 0 | 0 | 0 | 112.2 | I368 A369 L375 A376 | I368-L372 HydrophobicContact CG2-CD1 4.25Å; I368-L372 HydrophobicContact CG2-CG 4.42Å; I368-L372 PolarHBondContact O-N 3.32Å; A369-L372 PolarHBondContact O-N 2.87Å; A369-L372 VanDerWaalsContact O-N 3.16Å; L372-L375 PolarHBondContact O-N 2.76Å; L372-A376 VanDerWaalsContact O-CB 3.26Å; L372-A376 WeakPolarHBondContact O-CB 3.31Å; L372-A376 PolarHBondContact O-N 3.12Å |
| 373 | V | 95.8 | Very high | 93.6 | Very high | 24 Ų | 24 | 45.4 Ų | 45.4 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 174.9 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | C322 L323 V326 A369 S370 G377 | C322-V373 HydrophobicContact CB-CG1 3.96Å; C322-V373 HydrophobicContact CB-CG2 4.35Å; L323-V373 HydrophobicContact CB-CG1 3.99Å; V326-V373 HydrophobicContact CG1-CG2 4.36Å; V326-V373 HydrophobicContact CG2-CB 4.5Å; V326-V373 HydrophobicContact CG2-CG2 4.14Å; A369-V373 WeakPolarHBondContact O-CG2 3.26Å; A369-V373 PolarHBondContact O-N 2.97Å; S370-V373 PolarHBondContact O-N 3.44Å; V373-G377 WeakPolarHBondContact O-CA 3.39Å; V373-G377 PolarHBondContact O-N 2.84Å |
| 374 | C | 95.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 173.2 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | S370 S371 G377 A378 L393 | S370-C374 PolarHBondContact O-N 3.39Å; S370-C374 PolarHBondContact O-SG 3.32Å; S370-C374 VanDerWaalsContact O-SG 3.35Å; S371-C374 PolarHBondContact O-N 3.39Å; C374-G377 PolarHBondContact O-N 3.48Å; C374-A378 PolarHBondContact O-N 3.42Å; C374-L393 HydrophobicContact CB-CD1 3.93Å; C374-L393 HydrophobicContact CB-CG 4.24Å; C374-L393 WeakPolarHBondContact O-CG 3.27Å |
| 375 | L | 93.8 | Very high | 92.2 | Very high | 111 Ų | 111 | 44.9 Ų | 44.9 | 58% | 0.581 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66.4 | -47.5 | 179.8 | -176.7 | 61.6 | 0 | 0 | 0 | 112.5 | S371 L372 G377 A378 | S371-L375 PolarHBondContact O-N 2.93Å; L372-L375 PolarHBondContact O-N 2.76Å; L375-G377 VanDerWaalsContact C-N 3.29Å; L375-G377 PolarHBondContact O-N 3.25Å; L375-A378 VanDerWaalsContact O-CB 3.24Å; L375-A378 WeakPolarHBondContact O-CB 3.35Å; L375-A378 PolarHBondContact O-N 3.36Å |
| 376 | A | 91.3 | Very high | 91.6 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 60% | 0.595 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.3 | -36.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L372 A378 | L372-A376 VanDerWaalsContact O-CB 3.26Å; L372-A376 WeakPolarHBondContact O-CB 3.31Å; L372-A376 PolarHBondContact O-N 3.12Å; A376-A378 VanDerWaalsContact C-N 3.26Å; A376-A378 PolarHBondContact O-N 2.73Å |
| 377 | G | 90.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.5 | -22.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V373 C374 L375 G379 C380 S381 | V373-G377 WeakPolarHBondContact O-CA 3.39Å; V373-G377 PolarHBondContact O-N 2.84Å; C374-G377 PolarHBondContact O-N 3.48Å; L375-G377 VanDerWaalsContact C-N 3.29Å; L375-G377 PolarHBondContact O-N 3.25Å; G377-G379 VanDerWaalsContact C-N 3.28Å; G377-G379 PolarHBondContact O-N 3Å; G377-C380 PolarHBondContact O-N 2.9Å; G377-S381 WeakPolarHBondContact O-CB 3.15Å; G377-S381 PolarHBondContact O-N 3.4Å; G377-S381 PolarHBondContact O-OG 3.46Å |
| 378 | A | 90.3 | Very high | 90.7 | Very high | 18 Ų | 18 | 44.5 Ų | 44.5 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.8 | -41.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C374 L375 A376 A382 G390 | C374-A378 PolarHBondContact O-N 3.42Å; L375-A378 VanDerWaalsContact O-CB 3.24Å; L375-A378 WeakPolarHBondContact O-CB 3.35Å; L375-A378 PolarHBondContact O-N 3.36Å; A376-A378 VanDerWaalsContact C-N 3.26Å; A376-A378 PolarHBondContact O-N 2.73Å; A378-A382 VanDerWaalsContact O-CB 3.28Å; A378-A382 WeakPolarHBondContact O-CB 3.44Å; A378-A382 PolarHBondContact O-N 2.65Å; A378-G390 WeakPolarHBondContact CB-O 3.29Å; A378-G390 WeakPolarHBondContact O-CA 3.47Å |
| 379 | G | 88.5 | Confident | 90.2 | Very high | 41 Ų | 41 | 41 Ų | 41 | 42% | 0.423 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.1 | -47.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G377 S381 A382 I383 | G377-G379 VanDerWaalsContact C-N 3.28Å; G377-G379 PolarHBondContact O-N 3Å; G379-S381 PolarHBondContact O-N 3.5Å; G379-A382 WeakPolarHBondContact O-CB 3.46Å; G379-A382 PolarHBondContact O-N 2.93Å; G379-I383 WeakPolarHBondContact O-CG1 3.24Å; G379-I383 PolarHBondContact O-N 2.94Å; G379-I383 VanDerWaalsContact O-N 3.07Å |
| 380 | C | 86.5 | Confident | 89.9 | Confident | 32 Ų | 32 | 40 Ų | 40 | 22% | 0.216 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 176.6 | -80.7 | 0 | 0 | 0 | 0 | 112.1 | C315 I319 G377 A382 I383 S384 | C315-C380 HydrophobicContact CB-CB 3.87Å; C315-C380 WeakPolarHBondContact CB-SG 3.5Å; C315-C380 WeakPolarHBondContact SG-CB 3.43Å; C315-C380 CovalentContact SG-SG 2.05Å; C315-C380 PolarHBondContact SG-SG 3.03Å; I319-C380 HydrophobicContact CG1-CB 4.19Å; G377-C380 PolarHBondContact O-N 2.9Å; C380-A382 VanDerWaalsContact C-N 3.34Å; C380-I383 PolarHBondContact O-N 2.61Å; C380-S384 WeakPolarHBondContact O-CB 3.29Å; C380-S384 PolarHBondContact O-N 2.98Å; C380-S384 PolarHBondContact O-OG 2.9Å |
| 381 | S | 86 | Confident | 89.7 | Confident | 7 Ų | 7 | 43 Ų | 43 | 5% | 0.049 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 174.1 | -66.9 | 0 | 0 | 0 | 0 | 112 | G377 G379 I383 L385 G386 L393 | G377-S381 WeakPolarHBondContact O-CB 3.15Å; G377-S381 PolarHBondContact O-N 3.4Å; G377-S381 PolarHBondContact O-OG 3.46Å; G379-S381 PolarHBondContact O-N 3.5Å; S381-I383 VanDerWaalsContact C-N 3.31Å; S381-I383 PolarHBondContact O-N 3.35Å; S381-L385 CarbonylContact O-C 3.59Å; S381-L385 WeakPolarHBondContact O-CA 3.4Å; S381-L385 VanDerWaalsContact O-CB 3.32Å; S381-L385 WeakPolarHBondContact O-CB 3.27Å; S381-L385 PolarHBondContact O-N 3.02Å; S381-G386 PolarHBondContact O-N 2.73Å; S381-L393 VanDerWaalsContact OG-CD2 3.28Å; S381-L393 WeakPolarHBondContact OG-CD2 3.33Å |
| 382 | A | 85.5 | Confident | 89.5 | Confident | 35 Ų | 35 | 42.8 Ų | 42.8 | 29% | 0.289 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A378 G379 C380 G386 | A378-A382 VanDerWaalsContact O-CB 3.28Å; A378-A382 WeakPolarHBondContact O-CB 3.44Å; A378-A382 PolarHBondContact O-N 2.65Å; G379-A382 WeakPolarHBondContact O-CB 3.46Å; G379-A382 PolarHBondContact O-N 2.93Å; C380-A382 VanDerWaalsContact C-N 3.34Å; A382-G386 WeakPolarHBondContact CA-O 3.46Å; A382-G386 CarbonylContact O-C 3.19Å; A382-G386 WeakPolarHBondContact O-CA 3.47Å; A382-G386 PolarHBondContact O-N 3.09Å; A382-G386 VanDerWaalsContact O-N 3.16Å |
| 383 | I | 85.2 | Confident | 89.4 | Confident | 148 Ų | 148 | 38.1 Ų | 38.1 | 76% | 0.759 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -73 | -44.2 | 179.5 | -65.7 | 165.5 | 0 | 0 | 0 | 111.2 | G379 C380 S381 | G379-I383 WeakPolarHBondContact O-CG1 3.24Å; G379-I383 PolarHBondContact O-N 2.94Å; G379-I383 VanDerWaalsContact O-N 3.07Å; C380-I383 PolarHBondContact O-N 2.61Å; S381-I383 VanDerWaalsContact C-N 3.31Å; S381-I383 PolarHBondContact O-N 3.35Å |
| 384 | S | 83.3 | Confident | 89.2 | Confident | 22 Ų | 22 | 37.2 Ų | 37.2 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -85.1 | -35.1 | -173.8 | -59.4 | 0 | 0 | 0 | 0 | 114.1 | T180 C380 | T180-S384 VanDerWaalsContact CG2-O 3.26Å; T180-S384 WeakPolarHBondContact CG2-O 3.35Å; C380-S384 WeakPolarHBondContact O-CB 3.29Å; C380-S384 PolarHBondContact O-N 2.98Å; C380-S384 PolarHBondContact O-OG 2.9Å |
| 385 | L | 84 | Confident | 89.2 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -120 | 4 | -171.2 | -62.8 | 167.5 | 0 | 0 | 0 | 113.2 | L176 T180 S381 A389 V444 S451 M457 | L176-L385 HydrophobicContact CD2-CD1 4.27Å; L176-L385 WeakPolarHBondContact O-CD2 3.25Å; T180-L385 HydrophobicContact CG2-CD2 3.65Å; T180-L385 HydrophobicContact CG2-CG 4.48Å; S381-L385 CarbonylContact O-C 3.59Å; S381-L385 WeakPolarHBondContact O-CA 3.4Å; S381-L385 VanDerWaalsContact O-CB 3.32Å; S381-L385 WeakPolarHBondContact O-CB 3.27Å; S381-L385 PolarHBondContact O-N 3.02Å; L385-A389 HydrophobicContact CB-CB 3.45Å; L385-A389 VanDerWaalsContact CB-CB 3.45Å; L385-A389 HydrophobicContact CD1-CB 4.47Å; L385-A389 WeakPolarHBondContact O-CB 3.33Å; L385-V444 HydrophobicContact CD1-CG1 4.31Å; L385-S451 WeakPolarHBondContact O-CB 3.49Å; L385-S451 PolarHBondContact O-OG 3.11Å; L385-M457 VanDerWaalsContact CA-SD 3.56Å |
| 386 | G | 85.7 | Confident | 89.2 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | trans | 89.8 | 160.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S381 A382 W388 A389 G390 | S381-G386 PolarHBondContact O-N 2.73Å; A382-G386 WeakPolarHBondContact CA-O 3.46Å; A382-G386 CarbonylContact O-C 3.19Å; A382-G386 WeakPolarHBondContact O-CA 3.47Å; A382-G386 PolarHBondContact O-N 3.09Å; A382-G386 VanDerWaalsContact O-N 3.16Å; G386-W388 VanDerWaalsContact C-N 3.3Å; G386-W388 PolarHBondContact O-N 2.84Å; G386-A389 WeakPolarHBondContact O-CB 3.5Å; G386-A389 PolarHBondContact O-N 2.94Å; G386-G390 PolarHBondContact O-N 3.01Å | ||
| 387 | P | 88.2 | Confident | 89.4 | Confident | 53 Ų | 53 | 35.8 Ų | 35.8 | 34% | 0.344 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61 | -34 | -168.1 | 23.4 | -33.7 | 0 | 0 | 0 | 113.6 | G390 C391 H456 | P387-G390 PolarHBondContact O-N 3.23Å; P387-C391 PolarHBondContact O-N 3.23Å; P387-C391 PolarHBondContact O-SG 2.96Å; P387-H456 HydrophobicContact CG-CB 4.1Å |
| 388 | W | 89.5 | Confident | 89.6 | Confident | 141 Ų | 141 | 39.5 Ų | 39.5 | 53% | 0.534 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -71.8 | -31.2 | 178.6 | -59.2 | 102.6 | 0 | 0 | 0 | 112.1 | G386 C391 A392 G447 C450 S451 H456 | G386-W388 VanDerWaalsContact C-N 3.3Å; G386-W388 PolarHBondContact O-N 2.84Å; W388-C391 PolarHBondContact O-N 3.12Å; W388-A392 WeakPolarHBondContact O-CB 3.37Å; W388-A392 PolarHBondContact O-N 3.05Å; W388-G447 CarbonylContact C-O 3.47Å; W388-G447 WeakPolarHBondContact CB-O 3.31Å; W388-C450 HydrophobicContact CB-CB 4.05Å; W388-C450 HydrophobicContact CG-CB 4.23Å; W388-S451 VanDerWaalsContact CB-OG 3.29Å; W388-S451 WeakPolarHBondContact CB-OG 3.38Å; W388-S451 PolarHBondContact N-OG 2.84Å; W388-H456 AromaticContact NE1-CD2 3.82Å |
| 389 | A | 88.8 | Confident | 89.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L385 G386 A392 L393 G447 S448 S451 | L385-A389 HydrophobicContact CB-CB 3.45Å; L385-A389 VanDerWaalsContact CB-CB 3.45Å; L385-A389 HydrophobicContact CD1-CB 4.47Å; L385-A389 WeakPolarHBondContact O-CB 3.33Å; G386-A389 WeakPolarHBondContact O-CB 3.5Å; G386-A389 PolarHBondContact O-N 2.94Å; A389-A392 PolarHBondContact O-N 2.91Å; A389-L393 PolarHBondContact O-N 3.38Å; A389-G447 PolarHBondContact N-O 2.91Å; A389-S448 WeakPolarHBondContact CB-OG 3.48Å; A389-S451 PolarHBondContact N-OG 3.3Å |
| 390 | G | 90.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | A378 G386 P387 A392 L393 G394 | A378-G390 WeakPolarHBondContact CB-O 3.29Å; A378-G390 WeakPolarHBondContact O-CA 3.47Å; G386-G390 PolarHBondContact O-N 3.01Å; P387-G390 PolarHBondContact O-N 3.23Å; G390-A392 VanDerWaalsContact C-N 3.35Å; G390-A392 PolarHBondContact O-N 2.87Å; G390-L393 PolarHBondContact O-N 3.04Å; G390-G394 PolarHBondContact O-N 2.84Å |
| 391 | C | 92.4 | Very high | 90.8 | Very high | 64 Ų | 64 | 40.8 Ų | 40.8 | 43% | 0.432 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 176.3 | -66.3 | 0 | 0 | 0 | 0 | 112.2 | P387 W388 G394 I395 G396 | P387-C391 PolarHBondContact O-N 3.23Å; P387-C391 PolarHBondContact O-SG 2.96Å; W388-C391 PolarHBondContact O-N 3.12Å; C391-G394 PolarHBondContact O-N 3.42Å; C391-I395 WeakPolarHBondContact O-CA 3.35Å; C391-I395 WeakPolarHBondContact O-CB 3.48Å; C391-I395 PolarHBondContact O-N 3.15Å; C391-G396 PolarHBondContact O-N 3.45Å; C391-G396 VanDerWaalsContact O-N 3.11Å |
| 392 | A | 92.3 | Very high | 91.4 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 12% | 0.124 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -63.6 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | W388 A389 G390 G396 S397 T443 | W388-A392 WeakPolarHBondContact O-CB 3.37Å; W388-A392 PolarHBondContact O-N 3.05Å; A389-A392 PolarHBondContact O-N 2.91Å; G390-A392 VanDerWaalsContact C-N 3.35Å; G390-A392 PolarHBondContact O-N 2.87Å; A392-G396 CarbonylContact O-C 3.54Å; A392-G396 WeakPolarHBondContact O-CA 3.4Å; A392-G396 PolarHBondContact O-N 3.43Å; A392-G396 VanDerWaalsContact O-N 3.11Å; A392-S397 PolarHBondContact O-N 2.88Å; A392-T443 HydrophobicContact CB-CG2 4.01Å; A392-T443 WeakPolarHBondContact CB-O 3.42Å; A392-T443 WeakPolarHBondContact O-CG2 3.45Å |
| 393 | L | 93.3 | Very high | 92 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -68.2 | -45.3 | 175.4 | -174.7 | 57.5 | 0 | 0 | 0 | 112 | I319 C374 S381 A389 G390 S397 V440 V444 | I319-L393 HydrophobicContact CG2-CD2 4.18Å; C374-L393 HydrophobicContact CB-CD1 3.93Å; C374-L393 HydrophobicContact CB-CG 4.24Å; C374-L393 WeakPolarHBondContact O-CG 3.27Å; S381-L393 VanDerWaalsContact OG-CD2 3.28Å; S381-L393 WeakPolarHBondContact OG-CD2 3.33Å; A389-L393 PolarHBondContact O-N 3.38Å; G390-L393 PolarHBondContact O-N 3.04Å; L393-S397 VanDerWaalsContact O-CB 3.26Å; L393-S397 WeakPolarHBondContact O-CB 3.49Å; L393-S397 PolarHBondContact O-OG 2.84Å; L393-V440 HydrophobicContact CD1-CG1 4.04Å; L393-V444 HydrophobicContact CB-CG2 3.85Å; L393-V444 HydrophobicContact CD1-CG2 3.61Å; L393-V444 HydrophobicContact CG-CG2 4.21Å |
| 394 | G | 92.6 | Very high | 92.6 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -74.5 | -53.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G390 C391 L398 | G390-G394 PolarHBondContact O-N 2.84Å; C391-G394 PolarHBondContact O-N 3.42Å; G394-L398 WeakPolarHBondContact O-CG 3.46Å |
| 395 | I | 93.6 | Very high | 93.4 | Very high | 118 Ų | 118 | 39.5 Ų | 39.5 | 61% | 0.605 | 23% | 0.231 | S | C | * | . | I | π-helix | trans | -97.8 | -47.5 | -174.1 | -58.9 | 174 | 0 | 0 | 0 | 110.6 | C391 S397 L398 | C391-I395 WeakPolarHBondContact O-CA 3.35Å; C391-I395 WeakPolarHBondContact O-CB 3.48Å; C391-I395 PolarHBondContact O-N 3.15Å; I395-S397 PolarHBondContact O-N 2.94Å; I395-L398 HydrophobicContact CG2-CD1 4.3Å; I395-L398 VanDerWaalsContact O-CB 3.26Å; I395-L398 WeakPolarHBondContact O-CB 3.46Å; I395-L398 WeakPolarHBondContact O-CG 3.4Å; I395-L398 PolarHBondContact O-N 3.31Å |
| 396 | G | 93.9 | Very high | 94 | Very high | 36 Ų | 36 | 44.2 Ų | 44.2 | 37% | 0.371 | 25% | 0.25 | S | C | . | . | I | π-helix | trans | -60 | -31.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C391 A392 L398 P399 | C391-G396 PolarHBondContact O-N 3.45Å; C391-G396 VanDerWaalsContact O-N 3.11Å; A392-G396 CarbonylContact O-C 3.54Å; A392-G396 WeakPolarHBondContact O-CA 3.4Å; A392-G396 PolarHBondContact O-N 3.43Å; A392-G396 VanDerWaalsContact O-N 3.11Å; G396-L398 VanDerWaalsContact C-N 3.34Å; G396-P399 WeakPolarHBondContact O-CD 3.43Å |
| 397 | S | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -9.3 | 177.4 | 79.5 | 0 | 0 | 0 | 0 | 114.7 | A392 L393 I395 A400 N401 | A392-S397 PolarHBondContact O-N 2.88Å; L393-S397 VanDerWaalsContact O-CB 3.26Å; L393-S397 WeakPolarHBondContact O-CB 3.49Å; L393-S397 PolarHBondContact O-OG 2.84Å; I395-S397 PolarHBondContact O-N 2.94Å; S397-A400 PolarHBondContact O-N 3.43Å; S397-N401 WeakPolarHBondContact O-CB 3.41Å; S397-N401 PolarHBondContact O-N 3.5Å; S397-N401 PolarHBondContact O-ND2 3.34Å; S397-N401 PolarHBondContact OG-ND2 3.36Å |
| 398 | L | 95.7 | Very high | 95.1 | Very high | 79 Ų | 79 | 45.7 Ų | 45.7 | 41% | 0.414 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.2 | -44.5 | -175.5 | -72.4 | 173.2 | 0 | 0 | 0 | 113.8 | G394 I395 G396 A400 N401 I402 | G394-L398 WeakPolarHBondContact O-CG 3.46Å; I395-L398 HydrophobicContact CG2-CD1 4.3Å; I395-L398 VanDerWaalsContact O-CB 3.26Å; I395-L398 WeakPolarHBondContact O-CB 3.46Å; I395-L398 WeakPolarHBondContact O-CG 3.4Å; I395-L398 PolarHBondContact O-N 3.31Å; G396-L398 VanDerWaalsContact C-N 3.34Å; L398-A400 VanDerWaalsContact C-N 3.32Å; L398-A400 PolarHBondContact O-N 3.02Å; L398-N401 PolarHBondContact O-N 3.48Å; L398-I402 HydrophobicContact CB-CD1 4.43Å; L398-I402 WeakPolarHBondContact O-CB 3.35Å; L398-I402 VanDerWaalsContact O-CG1 3.23Å; L398-I402 WeakPolarHBondContact O-CG1 3.2Å; L398-I402 PolarHBondContact O-N 3.29Å |
| 399 | P | 96.4 | Very high | 95.6 | Very high | 97 Ų | 97 | 45.1 Ų | 45.1 | 63% | 0.63 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -59.6 | -42 | 178.7 | -25.1 | 36 | 0 | 0 | 0 | 112.8 | G396 G403 | G396-P399 WeakPolarHBondContact O-CD 3.43Å; P399-G403 PolarHBondContact O-N 2.94Å |
| 400 | A | 97.1 | Very high | 96 | Very high | 19 Ų | 19 | 48.8 Ų | 48.8 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S397 L398 G403 L404 H436 V439 V440 | S397-A400 PolarHBondContact O-N 3.43Å; L398-A400 VanDerWaalsContact C-N 3.32Å; L398-A400 PolarHBondContact O-N 3.02Å; A400-G403 PolarHBondContact O-N 2.9Å; A400-L404 WeakPolarHBondContact O-CB 3.26Å; A400-L404 PolarHBondContact O-N 3.27Å; A400-H436 PolarHBondContact O-CD2 2.98Å; A400-V439 HydrophobicContact CB-CB 4.49Å; A400-V439 HydrophobicContact CB-CG1 3.98Å; A400-V440 HydrophobicContact CB-CG2 4.13Å |
| 401 | N | 97.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.011 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.9 | -47 | 178.5 | -76.9 | -18.7 | 0 | 0 | 0 | 112.8 | S371 S397 L398 G403 L404 I405 H436 | S371-N401 VanDerWaalsContact OG-CB 3.3Å; S371-N401 WeakPolarHBondContact OG-CB 3.29Å; S397-N401 WeakPolarHBondContact O-CB 3.41Å; S397-N401 PolarHBondContact O-N 3.5Å; S397-N401 PolarHBondContact O-ND2 3.34Å; S397-N401 PolarHBondContact OG-ND2 3.36Å; L398-N401 PolarHBondContact O-N 3.48Å; N401-G403 VanDerWaalsContact C-N 3.34Å; N401-G403 PolarHBondContact O-N 2.83Å; N401-L404 PolarHBondContact O-N 3Å; N401-I405 WeakPolarHBondContact O-CG1 3.47Å; N401-I405 PolarHBondContact O-N 3.48Å; N401-H436 PolarHBondContact OD1-NE2 3.24Å |
| 402 | I | 97.8 | Very high | 96.4 | Very high | 110 Ų | 110 | 47 Ų | 47 | 56% | 0.564 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.7 | -45.7 | 175.8 | -68.7 | 165.5 | 0 | 0 | 0 | 110 | L398 L404 I405 Y406 | L398-I402 HydrophobicContact CB-CD1 4.43Å; L398-I402 WeakPolarHBondContact O-CB 3.35Å; L398-I402 VanDerWaalsContact O-CG1 3.23Å; L398-I402 WeakPolarHBondContact O-CG1 3.2Å; L398-I402 PolarHBondContact O-N 3.29Å; I402-L404 PolarHBondContact O-N 2.93Å; I402-I405 PolarHBondContact O-N 3.38Å; I402-Y406 VanDerWaalsContact O-CB 3.29Å; I402-Y406 WeakPolarHBondContact O-CB 3.31Å; I402-Y406 PolarHBondContact O-N 3.41Å |
| 403 | G | 98 | Very high | 96.6 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 25% | 0.247 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.3 | -46.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P399 A400 N401 Y406 Y407 | P399-G403 PolarHBondContact O-N 2.94Å; A400-G403 PolarHBondContact O-N 2.9Å; N401-G403 VanDerWaalsContact C-N 3.34Å; N401-G403 PolarHBondContact O-N 2.83Å; G403-Y406 PolarHBondContact O-N 3.06Å; G403-Y407 WeakPolarHBondContact O-CD2 3.49Å; G403-Y407 PolarHBondContact O-N 2.92Å; G403-Y407 VanDerWaalsContact O-N 3.09Å |
| 404 | L | 98.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61 | -49.8 | 177.6 | -178.2 | 66.4 | 0 | 0 | 0 | 111.6 | P330 A400 N401 I402 Y406 Y407 A408 L429 T433 | P330-L404 HydrophobicContact CB-CD1 4.45Å; P330-L404 HydrophobicContact CG-CD1 4.49Å; P330-L404 HydrophobicContact CG-CD2 4.44Å; A400-L404 WeakPolarHBondContact O-CB 3.26Å; A400-L404 PolarHBondContact O-N 3.27Å; N401-L404 PolarHBondContact O-N 3Å; I402-L404 PolarHBondContact O-N 2.93Å; L404-Y406 VanDerWaalsContact C-N 3.32Å; L404-Y406 PolarHBondContact O-N 3.33Å; L404-Y407 PolarHBondContact O-N 3.11Å; L404-A408 WeakPolarHBondContact O-CB 3.28Å; L404-A408 PolarHBondContact O-N 3.46Å; L404-L429 HydrophobicContact CD1-CD1 3.9Å; L404-T433 HydrophobicContact CD1-CG2 3.57Å |
| 405 | I | 98.5 | Very high | 96.2 | Very high | 49 Ų | 49 | 59.2 Ų | 59.2 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 177.4 | -69.2 | 168.6 | 0 | 0 | 0 | 110.8 | L364 I368 S371 N401 I402 Y407 A408 W409 | L364-I405 HydrophobicContact CD1-CG2 4.4Å; I368-I405 HydrophobicContact CG1-CD1 4.17Å; I368-I405 HydrophobicContact CG1-CG1 4.13Å; I368-I405 HydrophobicContact CG1-CG2 4.38Å; S371-I405 VanDerWaalsContact OG-CD1 3.28Å; S371-I405 WeakPolarHBondContact OG-CD1 3.31Å; N401-I405 WeakPolarHBondContact O-CG1 3.47Å; N401-I405 PolarHBondContact O-N 3.48Å; I402-I405 PolarHBondContact O-N 3.38Å; I405-Y407 PolarHBondContact O-N 3.37Å; I405-A408 PolarHBondContact O-N 2.93Å; I405-W409 VanDerWaalsContact O-CB 3.32Å; I405-W409 WeakPolarHBondContact O-CB 3.3Å; I405-W409 PolarHBondContact O-N 3.44Å |
| 406 | Y | 98.5 | Very high | 95.2 | Very high | 104 Ų | 104 | 55.4 Ų | 55.4 | 41% | 0.408 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.5 | -48.5 | 179 | 171 | -100.1 | 0 | 0 | 0 | 112.3 | I402 G403 L404 A408 W409 K410 | I402-Y406 VanDerWaalsContact O-CB 3.29Å; I402-Y406 WeakPolarHBondContact O-CB 3.31Å; I402-Y406 PolarHBondContact O-N 3.41Å; G403-Y406 PolarHBondContact O-N 3.06Å; L404-Y406 VanDerWaalsContact C-N 3.32Å; L404-Y406 PolarHBondContact O-N 3.33Å; Y406-A408 VanDerWaalsContact C-N 3.34Å; Y406-W409 PolarHBondContact O-N 3.05Å; Y406-K410 HydrophobicContact CE1-CD 3.85Å; Y406-K410 HydrophobicContact CE2-CD 4.47Å; Y406-K410 PolarHBondContact O-N 3.16Å; Y406-K410 WeakPolarHBondContact OH-CE 3.39Å; Y406-K410 PolarHBondContact OH-NZ 2.95Å |
| 407 | Y | 98.4 | Very high | 94 | Very high | 87 Ų | 87 | 61.3 Ų | 61.3 | 34% | 0.341 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.9 | -33.9 | 177.5 | -73.3 | -65.5 | 0 | 0 | 0 | 112.3 | G403 L404 I405 K410 F411 R428 A432 | G403-Y407 WeakPolarHBondContact O-CD2 3.49Å; G403-Y407 PolarHBondContact O-N 2.92Å; G403-Y407 VanDerWaalsContact O-N 3.09Å; L404-Y407 PolarHBondContact O-N 3.11Å; I405-Y407 PolarHBondContact O-N 3.37Å; Y407-K410 PolarHBondContact O-N 3.13Å; Y407-F411 WeakPolarHBondContact O-CB 3.28Å; Y407-F411 PolarHBondContact O-N 3.12Å; Y407-R428 HydrophobicContact CD1-CB 3.87Å; Y407-R428 HydrophobicContact CE1-CB 4.13Å; Y407-A432 HydrophobicContact CD2-CB 3.51Å; Y407-A432 HydrophobicContact CE2-CB 4.21Å; Y407-A432 HydrophobicContact CG-CB 4.07Å |
| 408 | A | 98.5 | Very high | 92 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L364 S367 L404 I405 Y406 F411 A412 L429 | L364-A408 HydrophobicContact CB-CB 4.49Å; L364-A408 HydrophobicContact CD1-CB 4.11Å; S367-A408 WeakPolarHBondContact OG-CB 3.38Å; L404-A408 WeakPolarHBondContact O-CB 3.28Å; L404-A408 PolarHBondContact O-N 3.46Å; I405-A408 PolarHBondContact O-N 2.93Å; Y406-A408 VanDerWaalsContact C-N 3.34Å; A408-F411 PolarHBondContact O-N 3.34Å; A408-A412 WeakPolarHBondContact O-CB 3.42Å; A408-A412 PolarHBondContact O-N 2.8Å; A408-L429 HydrophobicContact CB-CD1 3.89Å; A408-L429 HydrophobicContact CB-CD2 4.26Å |
| 409 | W | 98.3 | Very high | 90.4 | Very high | 128 Ų | 128 | 65 Ų | 65 | 49% | 0.485 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 174 | 173.7 | 84.8 | 0 | 0 | 0 | 111.4 | L364 I405 Y406 F411 A412 K413 | L364-W409 HydrophobicContact CD1-CB 4.11Å; I405-W409 VanDerWaalsContact O-CB 3.32Å; I405-W409 WeakPolarHBondContact O-CB 3.3Å; I405-W409 PolarHBondContact O-N 3.44Å; Y406-W409 PolarHBondContact O-N 3.05Å; W409-F411 VanDerWaalsContact C-N 3.28Å; W409-F411 PolarHBondContact O-N 3.19Å; W409-A412 PolarHBondContact O-N 3.04Å; W409-A412 VanDerWaalsContact O-N 3.14Å; W409-K413 HydrophobicContact CD2-CG 4.35Å; W409-K413 HydrophobicContact CZ2-CG 4.12Å; W409-K413 WeakPolarHBondContact O-CB 3.48Å; W409-K413 PolarHBondContact O-N 3.39Å |
| 410 | K | 97.1 | Very high | 89.4 | Confident | 77 Ų | 77 | 66.4 Ų | 66.4 | 34% | 0.335 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.2 | -41 | 172.9 | -82.5 | -169.2 | 162.6 | -179.8 | 0 | 112.1 | Y406 Y407 S414 | Y406-K410 HydrophobicContact CE1-CD 3.85Å; Y406-K410 HydrophobicContact CE2-CD 4.47Å; Y406-K410 PolarHBondContact O-N 3.16Å; Y406-K410 WeakPolarHBondContact OH-CE 3.39Å; Y406-K410 PolarHBondContact OH-NZ 2.95Å; Y407-K410 PolarHBondContact O-N 3.13Å; K410-S414 PolarHBondContact O-N 2.87Å; K410-S414 VanDerWaalsContact O-N 3.09Å |
| 411 | F | 97.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 174.4 | 177.5 | -128.6 | 0 | 0 | 0 | 111.8 | W337 K360 A363 Y407 A408 W409 K413 S414 A425 A426 L429 | W337-F411 HydrophobicContact CB-CE2 4.44Å; W337-F411 HydrophobicContact CB-CZ 4.11Å; W337-F411 AromaticContact CD2-CE2 3.65Å; W337-F411 HydrophobicContact CD2-CE2 3.65Å; W337-F411 AromaticContact CD2-CZ 3.6Å; W337-F411 HydrophobicContact CD2-CZ 3.6Å; W337-F411 AromaticContact CE2-CE2 3.99Å; W337-F411 AromaticContact CE3-CE2 3.96Å; W337-F411 HydrophobicContact CE3-CE2 3.96Å; W337-F411 AromaticContact CE3-CZ 3.48Å; W337-F411 HydrophobicContact CE3-CZ 3.48Å; W337-F411 VanDerWaalsContact CE3-CZ 3.48Å; W337-F411 AromaticContact CG-CE2 3.86Å; W337-F411 HydrophobicContact CG-CE2 3.86Å; W337-F411 AromaticContact CG-CZ 3.87Å; W337-F411 HydrophobicContact CG-CZ 3.87Å; W337-F411 HydrophobicContact CZ3-CZ 4.14Å; K360-F411 WeakPolarHBondContact CE-O 3.45Å; K360-F411 HydrophobicContact CG-CD1 4.22Å; K360-F411 HydrophobicContact CG-CD2 4.44Å; K360-F411 HydrophobicContact CG-CE1 3.83Å; K360-F411 HydrophobicContact CG-CE2 4.05Å; K360-F411 HydrophobicContact CG-CZ 3.75Å; A363-F411 HydrophobicContact CB-CD1 4.01Å; A363-F411 HydrophobicContact CB-CE1 4.12Å; Y407-F411 WeakPolarHBondContact O-CB 3.28Å; Y407-F411 PolarHBondContact O-N 3.12Å; A408-F411 PolarHBondContact O-N 3.34Å; W409-F411 VanDerWaalsContact C-N 3.28Å; W409-F411 PolarHBondContact O-N 3.19Å; F411-K413 VanDerWaalsContact C-N 3.31Å; F411-K413 PolarHBondContact O-N 3.45Å; F411-S414 PolarHBondContact O-N 2.89Å; F411-S414 PolarHBondContact O-OG 3.49Å; F411-A425 HydrophobicContact CB-CB 4.3Å; F411-A425 HydrophobicContact CD2-CB 4.23Å; F411-A426 HydrophobicContact CD2-CB 3.95Å; F411-A426 HydrophobicContact CE2-CB 3.65Å; F411-A426 HydrophobicContact CZ-CB 4.18Å; F411-L429 HydrophobicContact CB-CD2 4.12Å; F411-L429 HydrophobicContact CD1-CD2 3.66Å; F411-L429 HydrophobicContact CE1-CD2 4.45Å; F411-L429 HydrophobicContact CG-CD2 4.18Å |
| 412 | A | 96.3 | Very high | 88.5 | Confident | 31 Ų | 31 | 67.8 Ų | 67.8 | 26% | 0.256 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64 | -32.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L364 A408 W409 | L364-A412 HydrophobicContact CB-CB 4.2Å; L364-A412 HydrophobicContact CD2-CB 3.99Å; A408-A412 WeakPolarHBondContact O-CB 3.42Å; A408-A412 PolarHBondContact O-N 2.8Å; W409-A412 PolarHBondContact O-N 3.04Å; W409-A412 VanDerWaalsContact O-N 3.14Å |
| 413 | K | 95.4 | Very high | 88.3 | Confident | 145 Ų | 145 | 63.6 Ų | 63.6 | 63% | 0.63 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -87.1 | -9.5 | 177.1 | -72.7 | -66.5 | -174.9 | 178.1 | 0 | 114.6 | W409 F411 | W409-K413 HydrophobicContact CD2-CG 4.35Å; W409-K413 HydrophobicContact CZ2-CG 4.12Å; W409-K413 WeakPolarHBondContact O-CB 3.48Å; W409-K413 PolarHBondContact O-N 3.39Å; F411-K413 VanDerWaalsContact C-N 3.31Å; F411-K413 PolarHBondContact O-N 3.45Å |
| 414 | S | 93.3 | Very high | 88.2 | Confident | 22 Ų | 22 | 63.5 Ų | 63.5 | 15% | 0.154 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -66.1 | 138.8 | 177.1 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | K360 K410 F411 S416 S422 | K360-S414 WeakPolarHBondContact CE-OG 3.35Å; K360-S414 PolarHBondContact NZ-O 2.67Å; K360-S414 PolarHBondContact NZ-OG 3.05Å; K410-S414 PolarHBondContact O-N 2.87Å; K410-S414 VanDerWaalsContact O-N 3.09Å; F411-S414 PolarHBondContact O-N 2.89Å; F411-S414 PolarHBondContact O-OG 3.49Å; S414-S416 PolarHBondContact O-N 3.06Å; S414-S422 PolarHBondContact OG-OG 3.38Å; S414-S422 VanDerWaalsContact OG-OG 3.06Å |
| 415 | N | 84.6 | Confident | 88.1 | Confident | 113 Ų | 113 | 64 Ų | 64 | 60% | 0.604 | 35% | 0.353 | S | S | * | . | trans | -70.4 | 123.7 | 178.7 | -76.3 | -23.8 | 0 | 0 | 0 | 110.9 | N417 V418 S422 | N415-N417 VanDerWaalsContact C-N 3.27Å; N415-N417 PolarHBondContact O-N 3.2Å; N415-V418 HydrophobicContact CB-CB 4.06Å; N415-V418 HydrophobicContact CB-CG2 4.13Å; N415-S422 VanDerWaalsContact C-OG 3.26Å; N415-S422 PolarHBondContact O-OG 3.01Å | ||
| 416 | S | 72.5 | Confident | 88 | Confident | 38 Ų | 38 | 61.6 Ų | 61.6 | 27% | 0.266 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -28 | 178.6 | -59.9 | 0 | 0 | 0 | 0 | 112.9 | D357 K360 S414 | D357-S416 PolarHBondContact OD1-OG 3.4Å; K360-S416 PolarHBondContact NZ-OG 3.31Å; S414-S416 PolarHBondContact O-N 3.06Å |
| 417 | N | 68.1 | Low | 88 | Confident | 161 Ų | 161 | 61.5 Ų | 61.5 | 86% | 0.861 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -12.4 | -172.6 | -61 | -15.2 | 0 | 0 | 0 | 113.9 | N415 | N415-N417 VanDerWaalsContact C-N 3.27Å; N415-N417 PolarHBondContact O-N 3.2Å |
| 418 | V | 54.8 | Low | 87.9 | Confident | 94 Ų | 94 | 63.2 Ų | 63.2 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -117.4 | 103.7 | -169.7 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | N415 | N415-V418 HydrophobicContact CB-CB 4.06Å; N415-V418 HydrophobicContact CB-CG2 4.13Å |
| 419 | G | 60.8 | Low | 87.9 | Confident | 63 Ų | 63 | 63.2 Ų | 63.2 | 65% | 0.649 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | 53.3 | -172.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | G421 | G419-G421 PolarHBondContact O-N 3.42Å |
| 420 | D | 75.1 | Confident | 87.9 | Confident | 126 Ų | 126 | 59.7 Ų | 59.7 | 67% | 0.674 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -57.2 | -6 | -178 | -75.4 | -49.3 | 0 | 0 | 0 | 115.7 | S423 A424 | D420-S423 PolarHBondContact O-N 3.15Å; D420-A424 VanDerWaalsContact O-CB 3.28Å; D420-A424 WeakPolarHBondContact O-CB 3.49Å; D420-A424 PolarHBondContact O-N 3.23Å |
| 421 | G | 86.6 | Confident | 87.9 | Confident | 45 Ų | 45 | 62 Ų | 62 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60 | -50 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G419 S423 A424 A425 | G419-G421 PolarHBondContact O-N 3.42Å; G421-S423 VanDerWaalsContact C-N 3.33Å; G421-S423 PolarHBondContact O-N 3.37Å; G421-A424 PolarHBondContact O-N 3.47Å; G421-A425 WeakPolarHBondContact O-CB 3.36Å; G421-A425 PolarHBondContact O-N 2.95Å |
| 422 | S | 90.9 | Very high | 88 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 3% | 0.028 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 176.5 | -78.8 | 0 | 0 | 0 | 0 | 111.6 | K360 S414 N415 A425 A426 | K360-S422 PolarHBondContact NZ-OG 2.97Å; S414-S422 PolarHBondContact OG-OG 3.38Å; S414-S422 VanDerWaalsContact OG-OG 3.06Å; N415-S422 VanDerWaalsContact C-OG 3.26Å; N415-S422 PolarHBondContact O-OG 3.01Å; S422-A425 PolarHBondContact O-N 3.42Å; S422-A426 WeakPolarHBondContact O-CB 3.16Å; S422-A426 PolarHBondContact O-N 3.43Å |
| 423 | S | 93.6 | Very high | 88 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 15% | 0.154 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 178.6 | -56 | 0 | 0 | 0 | 0 | 111.5 | N338 D420 G421 A426 R427 | N338-S423 WeakPolarHBondContact OD1-CB 3.4Å; N338-S423 PolarHBondContact OD1-O 2.9Å; D420-S423 PolarHBondContact O-N 3.15Å; G421-S423 VanDerWaalsContact C-N 3.33Å; G421-S423 PolarHBondContact O-N 3.37Å; S423-A426 PolarHBondContact O-N 3.49Å; S423-R427 VanDerWaalsContact CB-NH1 3.33Å; S423-R427 WeakPolarHBondContact O-CG 3.36Å; S423-R427 PolarHBondContact O-N 2.79Å; S423-R427 PolarHBondContact O-NH1 3.33Å |
| 424 | A | 94.7 | Very high | 88.1 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.8 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D420 G421 R427 R428 | D420-A424 VanDerWaalsContact O-CB 3.28Å; D420-A424 WeakPolarHBondContact O-CB 3.49Å; D420-A424 PolarHBondContact O-N 3.23Å; G421-A424 PolarHBondContact O-N 3.47Å; A424-R427 PolarHBondContact O-N 3.18Å; A424-R428 WeakPolarHBondContact O-CG 3.32Å; A424-R428 PolarHBondContact O-N 3.37Å |
| 425 | A | 96.6 | Very high | 88.2 | Confident | 11 Ų | 11 | 64.4 Ų | 64.4 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F411 G421 S422 R427 R428 L429 | F411-A425 HydrophobicContact CB-CB 4.3Å; F411-A425 HydrophobicContact CD2-CB 4.23Å; G421-A425 WeakPolarHBondContact O-CB 3.36Å; G421-A425 PolarHBondContact O-N 2.95Å; S422-A425 PolarHBondContact O-N 3.42Å; A425-R427 PolarHBondContact O-N 3.25Å; A425-R428 PolarHBondContact O-N 3.3Å; A425-L429 PolarHBondContact O-N 3.29Å |
| 426 | A | 96.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.7 | -45 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A334 W337 N338 F411 S422 S423 R428 L429 F430 | A334-A426 WeakPolarHBondContact CB-O 3.31Å; W337-A426 HydrophobicContact CB-CB 3.83Å; W337-A426 HydrophobicContact CG-CB 3.91Å; N338-A426 WeakPolarHBondContact ND2-CB 3.22Å; F411-A426 HydrophobicContact CD2-CB 3.95Å; F411-A426 HydrophobicContact CE2-CB 3.65Å; F411-A426 HydrophobicContact CZ-CB 4.18Å; S422-A426 WeakPolarHBondContact O-CB 3.16Å; S422-A426 PolarHBondContact O-N 3.43Å; S423-A426 PolarHBondContact O-N 3.49Å; A426-R428 VanDerWaalsContact C-N 3.31Å; A426-R428 PolarHBondContact O-N 2.96Å; A426-L429 PolarHBondContact O-N 2.97Å; A426-F430 WeakPolarHBondContact O-CB 3.32Å; A426-F430 PolarHBondContact O-N 2.83Å |
| 427 | R | 97.1 | Very high | 89.7 | Confident | 101 Ų | 101 | 58.6 Ų | 58.6 | 38% | 0.381 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 175.9 | -72.6 | -173.9 | -63.9 | -90.5 | 11.2 | 112.7 | N338 S423 A424 A425 R431 | N338-R427 PolarHBondContact OD1-NH1 3.07Å; N338-R427 VanDerWaalsContact OD1-NH1 3.07Å; S423-R427 VanDerWaalsContact CB-NH1 3.33Å; S423-R427 WeakPolarHBondContact O-CG 3.36Å; S423-R427 PolarHBondContact O-N 2.79Å; S423-R427 PolarHBondContact O-NH1 3.33Å; A424-R427 PolarHBondContact O-N 3.18Å; A425-R427 PolarHBondContact O-N 3.25Å; R427-R431 WeakPolarHBondContact O-CG 3.48Å; R427-R431 PolarHBondContact O-N 3.46Å |
| 428 | R | 97.8 | Very high | 90.9 | Very high | 124 Ų | 124 | 54 Ų | 54 | 47% | 0.468 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 175.7 | -72.3 | 170.6 | -179.2 | 165.9 | -0 | 111.5 | Y407 A424 A425 A426 R431 A432 | Y407-R428 HydrophobicContact CD1-CB 3.87Å; Y407-R428 HydrophobicContact CE1-CB 4.13Å; A424-R428 WeakPolarHBondContact O-CG 3.32Å; A424-R428 PolarHBondContact O-N 3.37Å; A425-R428 PolarHBondContact O-N 3.3Å; A426-R428 VanDerWaalsContact C-N 3.31Å; A426-R428 PolarHBondContact O-N 2.96Å; R428-R431 PolarHBondContact O-N 2.89Å; R428-A432 PolarHBondContact O-N 3.4Å |
| 429 | L | 98.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61 | -45.5 | 174.5 | 176.3 | 58.5 | 0 | 0 | 0 | 111.6 | P330 A334 A363 L404 A408 F411 A425 A426 R431 A432 T433 | P330-L429 HydrophobicContact CB-CD1 4.24Å; P330-L429 HydrophobicContact CB-CD2 4.42Å; A334-L429 HydrophobicContact CB-CB 4.14Å; A334-L429 HydrophobicContact CB-CD2 4.02Å; A334-L429 HydrophobicContact CB-CG 3.96Å; A363-L429 HydrophobicContact CB-CD2 4.02Å; L404-L429 HydrophobicContact CD1-CD1 3.9Å; A408-L429 HydrophobicContact CB-CD1 3.89Å; A408-L429 HydrophobicContact CB-CD2 4.26Å; F411-L429 HydrophobicContact CB-CD2 4.12Å; F411-L429 HydrophobicContact CD1-CD2 3.66Å; F411-L429 HydrophobicContact CE1-CD2 4.45Å; F411-L429 HydrophobicContact CG-CD2 4.18Å; A425-L429 PolarHBondContact O-N 3.29Å; A426-L429 PolarHBondContact O-N 2.97Å; L429-R431 VanDerWaalsContact C-N 3.34Å; L429-R431 PolarHBondContact O-N 3.3Å; L429-A432 WeakPolarHBondContact O-CB 3.17Å; L429-A432 PolarHBondContact O-N 3.41Å; L429-A432 VanDerWaalsContact O-N 3.11Å; L429-T433 HydrophobicContact CD1-CG2 4.27Å; L429-T433 WeakPolarHBondContact O-CG2 3.4Å; L429-T433 PolarHBondContact O-N 3.01Å |
| 430 | F | 98 | Very high | 94.4 | Very high | 54 Ų | 54 | 49.7 Ų | 49.7 | 24% | 0.237 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.5 | -48 | 176.1 | -178.9 | -102.4 | 0 | 0 | 0 | 111.3 | H331 A334 L335 A426 A432 T433 L434 | H331-F430 AromaticContact CE1-CD2 3.78Å; H331-F430 AromaticContact CE1-CE2 3.09Å; H331-F430 WeakPolarHBondContact CE1-CE2 3.39Å; H331-F430 AromaticContact CE1-CZ 3.69Å; H331-F430 AromaticContact ND1-CD2 3.8Å; H331-F430 AromaticContact ND1-CE2 3.6Å; H331-F430 AromaticContact NE2-CE2 3.54Å; A334-F430 HydrophobicContact CB-CB 3.87Å; L335-F430 HydrophobicContact CB-CD2 3.93Å; L335-F430 HydrophobicContact CB-CE2 3.88Å; L335-F430 HydrophobicContact CD1-CD2 4.4Å; L335-F430 HydrophobicContact CD1-CE2 3.86Å; L335-F430 HydrophobicContact CD1-CZ 4.14Å; L335-F430 HydrophobicContact CD2-CE2 4.4Å; L335-F430 HydrophobicContact CG-CE2 4.26Å; A426-F430 WeakPolarHBondContact O-CB 3.32Å; A426-F430 PolarHBondContact O-N 2.83Å; F430-A432 PolarHBondContact O-N 3.31Å; F430-T433 PolarHBondContact O-N 3.24Å; F430-T433 PolarHBondContact O-OG1 3.47Å; F430-L434 HydrophobicContact CD1-CD1 4.15Å; F430-L434 HydrophobicContact CE1-CD1 3.75Å; F430-L434 HydrophobicContact CE1-CG 4.32Å; F430-L434 HydrophobicContact CZ-CD1 4.35Å; F430-L434 HydrophobicContact CZ-CD2 4.47Å; F430-L434 PolarHBondContact O-N 3.26Å |
| 431 | R | 97.8 | Very high | 95.1 | Very high | 124 Ų | 124 | 45 Ų | 45 | 47% | 0.468 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 174.3 | -72.4 | -171.3 | -62.9 | -95.6 | 6 | 112.7 | R427 R428 L429 T433 L434 F435 | R427-R431 WeakPolarHBondContact O-CG 3.48Å; R427-R431 PolarHBondContact O-N 3.46Å; R428-R431 PolarHBondContact O-N 2.89Å; L429-R431 VanDerWaalsContact C-N 3.34Å; L429-R431 PolarHBondContact O-N 3.3Å; R431-T433 VanDerWaalsContact C-N 3.28Å; R431-T433 PolarHBondContact O-N 2.98Å; R431-L434 WeakPolarHBondContact O-CB 3.41Å; R431-L434 PolarHBondContact O-N 3.02Å; R431-L434 VanDerWaalsContact O-N 3.16Å; R431-F435 VanDerWaalsContact O-CD2 3.25Å; R431-F435 WeakPolarHBondContact O-CD2 3.34Å; R431-F435 PolarHBondContact O-N 3.48Å |
| 432 | A | 98 | Very high | 95.4 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y407 R428 L429 F430 L434 F435 H436 | Y407-A432 HydrophobicContact CD2-CB 3.51Å; Y407-A432 HydrophobicContact CE2-CB 4.21Å; Y407-A432 HydrophobicContact CG-CB 4.07Å; R428-A432 PolarHBondContact O-N 3.4Å; L429-A432 WeakPolarHBondContact O-CB 3.17Å; L429-A432 PolarHBondContact O-N 3.41Å; L429-A432 VanDerWaalsContact O-N 3.11Å; F430-A432 PolarHBondContact O-N 3.31Å; A432-L434 VanDerWaalsContact C-N 3.34Å; A432-L434 PolarHBondContact O-N 3.16Å; A432-F435 PolarHBondContact O-N 3.13Å; A432-H436 VanDerWaalsContact O-CB 3.28Å; A432-H436 WeakPolarHBondContact O-CB 3.17Å; A432-H436 PolarHBondContact O-N 2.86Å |
| 433 | T | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.3 | -36.9 | 176.8 | 65 | 0 | 0 | 0 | 0 | 112.5 | W327 P330 H331 L404 L429 F430 R431 F435 H436 | W327-T433 VanDerWaalsContact CZ2-O 3.28Å; W327-T433 WeakPolarHBondContact CZ2-O 3.42Å; W327-T433 PolarHBondContact NE1-O 3.39Å; P330-T433 HydrophobicContact CB-CG2 3.93Å; P330-T433 HydrophobicContact CG-CG2 4.19Å; H331-T433 HydrophobicContact CB-CG2 4.16Å; H331-T433 PolarHBondContact ND1-OG1 3.48Å; L404-T433 HydrophobicContact CD1-CG2 3.57Å; L429-T433 HydrophobicContact CD1-CG2 4.27Å; L429-T433 WeakPolarHBondContact O-CG2 3.4Å; L429-T433 PolarHBondContact O-N 3.01Å; F430-T433 PolarHBondContact O-N 3.24Å; F430-T433 PolarHBondContact O-OG1 3.47Å; R431-T433 VanDerWaalsContact C-N 3.28Å; R431-T433 PolarHBondContact O-N 2.98Å; T433-F435 VanDerWaalsContact C-N 3.31Å; T433-F435 PolarHBondContact O-N 2.95Å; T433-H436 PolarHBondContact O-N 3.32Å |
| 434 | L | 95.9 | Very high | 95.2 | Very high | 84 Ų | 84 | 48.2 Ų | 48.2 | 44% | 0.44 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.8 | -34.5 | 177.3 | -68 | 175.1 | 0 | 0 | 0 | 112.7 | F430 R431 A432 P438 | F430-L434 HydrophobicContact CD1-CD1 4.15Å; F430-L434 HydrophobicContact CE1-CD1 3.75Å; F430-L434 HydrophobicContact CE1-CG 4.32Å; F430-L434 HydrophobicContact CZ-CD1 4.35Å; F430-L434 HydrophobicContact CZ-CD2 4.47Å; F430-L434 PolarHBondContact O-N 3.26Å; R431-L434 WeakPolarHBondContact O-CB 3.41Å; R431-L434 PolarHBondContact O-N 3.02Å; R431-L434 VanDerWaalsContact O-N 3.16Å; A432-L434 VanDerWaalsContact C-N 3.34Å; A432-L434 PolarHBondContact O-N 3.16Å; L434-P438 WeakPolarHBondContact O-CD 3.2Å; L434-P438 WeakPolarHBondContact O-CG 3.35Å |
| 435 | F | 95.7 | Very high | 94.9 | Very high | 151 Ų | 151 | 50.9 Ų | 50.9 | 66% | 0.662 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -84.1 | -35.5 | 175.4 | -71.5 | -71.5 | 0 | 0 | 0 | 112.8 | R431 A432 T433 L437 P438 V439 | R431-F435 VanDerWaalsContact O-CD2 3.25Å; R431-F435 WeakPolarHBondContact O-CD2 3.34Å; R431-F435 PolarHBondContact O-N 3.48Å; A432-F435 PolarHBondContact O-N 3.13Å; T433-F435 VanDerWaalsContact C-N 3.31Å; T433-F435 PolarHBondContact O-N 2.95Å; F435-L437 PolarHBondContact O-N 3.36Å; F435-P438 WeakPolarHBondContact O-CD 3.18Å; F435-V439 WeakPolarHBondContact O-CB 3.5Å; F435-V439 WeakPolarHBondContact O-CG2 3.47Å; F435-V439 PolarHBondContact O-N 3.37Å; F435-V439 VanDerWaalsContact O-N 3.12Å |
| 436 | H | 97.2 | Very high | 94.5 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 2% | 0.023 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55 | -55.2 | -175.5 | 174.2 | -87.3 | 0 | 0 | 0 | 112.2 | W327 A400 N401 A432 T433 V439 V440 | W327-H436 AromaticContact CD1-ND1 3.3Å; W327-H436 VanDerWaalsContact CD1-ND1 3.3Å; W327-H436 AromaticContact NE1-ND1 3.78Å; A400-H436 PolarHBondContact O-CD2 2.98Å; N401-H436 PolarHBondContact OD1-NE2 3.24Å; A432-H436 VanDerWaalsContact O-CB 3.28Å; A432-H436 WeakPolarHBondContact O-CB 3.17Å; A432-H436 PolarHBondContact O-N 2.86Å; T433-H436 PolarHBondContact O-N 3.32Å; H436-V439 PolarHBondContact O-N 2.98Å; H436-V440 WeakPolarHBondContact O-CG2 3.4Å; H436-V440 PolarHBondContact O-N 3.04Å |
| 437 | L | 92.8 | Very high | 94.2 | Very high | 23 Ų | 23 | 55.7 Ų | 55.7 | 12% | 0.12 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.5 | -49.9 | -172.9 | 178.7 | 67.3 | 0 | 0 | 0 | 112.9 | L324 W327 F435 V439 V440 M441 | L324-L437 HydrophobicContact CD1-CD1 4.49Å; L324-L437 HydrophobicContact CD1-CD2 3.93Å; L324-L437 HydrophobicContact CD2-CD1 3.78Å; W327-L437 HydrophobicContact CD2-CB 4.14Å; W327-L437 HydrophobicContact CD2-CD2 4Å; W327-L437 HydrophobicContact CE3-CD2 4Å; W327-L437 HydrophobicContact CG-CB 4.34Å; W327-L437 HydrophobicContact CH2-CD2 4.15Å; W327-L437 HydrophobicContact CZ2-CB 4Å; W327-L437 HydrophobicContact CZ2-CD2 4.12Å; W327-L437 HydrophobicContact CZ3-CD2 4.09Å; F435-L437 PolarHBondContact O-N 3.36Å; L437-V439 VanDerWaalsContact C-N 3.33Å; L437-V439 PolarHBondContact O-N 2.98Å; L437-V440 PolarHBondContact O-N 3.27Å; L437-M441 HydrophobicContact CD1-CE 3.83Å; L437-M441 HydrophobicContact CD1-CG 4.08Å; L437-M441 HydrophobicContact CG-CG 4.42Å; L437-M441 WeakPolarHBondContact O-CB 3.47Å; L437-M441 VanDerWaalsContact O-CG 3.26Å; L437-M441 WeakPolarHBondContact O-CG 3.46Å; L437-M441 PolarHBondContact O-N 3.15Å |
| 438 | P | 92.4 | Very high | 93.7 | Very high | 65 Ų | 65 | 51.1 Ų | 51.1 | 42% | 0.422 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.7 | -42 | 174.5 | -26.3 | 35.5 | 0 | 0 | 0 | 113.4 | L434 F435 M441 I442 | L434-P438 WeakPolarHBondContact O-CD 3.2Å; L434-P438 WeakPolarHBondContact O-CG 3.35Å; F435-P438 WeakPolarHBondContact O-CD 3.18Å; P438-M441 PolarHBondContact O-N 3.46Å; P438-I442 WeakPolarHBondContact O-CB 3.28Å; P438-I442 WeakPolarHBondContact O-CD1 3.38Å; P438-I442 WeakPolarHBondContact O-CG1 3.36Å; P438-I442 PolarHBondContact O-N 3.29Å |
| 439 | V | 94.8 | Very high | 93.2 | Very high | 67 Ų | 67 | 51.8 Ų | 51.8 | 41% | 0.406 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 179.3 | 169.8 | 0 | 0 | 0 | 0 | 111 | A400 F435 H436 L437 T443 | A400-V439 HydrophobicContact CB-CB 4.49Å; A400-V439 HydrophobicContact CB-CG1 3.98Å; F435-V439 WeakPolarHBondContact O-CB 3.5Å; F435-V439 WeakPolarHBondContact O-CG2 3.47Å; F435-V439 PolarHBondContact O-N 3.37Å; F435-V439 VanDerWaalsContact O-N 3.12Å; H436-V439 PolarHBondContact O-N 2.98Å; L437-V439 VanDerWaalsContact C-N 3.33Å; L437-V439 PolarHBondContact O-N 2.98Å; V439-T443 WeakPolarHBondContact O-CB 3.41Å; V439-T443 PolarHBondContact O-N 3.23Å; V439-T443 PolarHBondContact O-OG1 3.49Å |
| 440 | V | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 176.8 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | L323 L393 A400 H436 L437 T443 V444 | L323-V440 HydrophobicContact CD2-CG1 3.93Å; L393-V440 HydrophobicContact CD1-CG1 4.04Å; A400-V440 HydrophobicContact CB-CG2 4.13Å; H436-V440 WeakPolarHBondContact O-CG2 3.4Å; H436-V440 PolarHBondContact O-N 3.04Å; L437-V440 PolarHBondContact O-N 3.27Å; V440-T443 PolarHBondContact O-N 3.15Å; V440-V444 WeakPolarHBondContact O-CG2 3.41Å; V440-V444 PolarHBondContact O-N 3.36Å |
| 441 | M | 90.8 | Very high | 92.1 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 13% | 0.128 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -45.2 | -179.7 | -68.9 | -65.2 | 133.4 | 0 | 0 | 112.6 | V172 L320 L323 L324 L437 P438 T443 V444 L445 | V172-M441 HydrophobicContact CG1-SD 4.44Å; L320-M441 HydrophobicContact CD1-CE 3.67Å; L320-M441 HydrophobicContact CD1-SD 3.85Å; L323-M441 HydrophobicContact CD2-CE 3.34Å; L323-M441 HydrophobicContact CG-CE 4.22Å; L324-M441 HydrophobicContact CD2-CE 4.06Å; L437-M441 HydrophobicContact CD1-CE 3.83Å; L437-M441 HydrophobicContact CD1-CG 4.08Å; L437-M441 HydrophobicContact CG-CG 4.42Å; L437-M441 WeakPolarHBondContact O-CB 3.47Å; L437-M441 VanDerWaalsContact O-CG 3.26Å; L437-M441 WeakPolarHBondContact O-CG 3.46Å; L437-M441 PolarHBondContact O-N 3.15Å; P438-M441 PolarHBondContact O-N 3.46Å; M441-T443 VanDerWaalsContact C-N 3.32Å; M441-T443 PolarHBondContact O-N 3.3Å; M441-V444 PolarHBondContact O-N 3.41Å; M441-L445 VanDerWaalsContact O-CG 3.32Å; M441-L445 WeakPolarHBondContact O-CG 3.29Å; M441-L445 PolarHBondContact O-N 3.19Å |
| 442 | I | 91.3 | Very high | 91.5 | Very high | 100 Ų | 100 | 50 Ų | 50 | 51% | 0.513 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.3 | -69.9 | 165.5 | 0 | 0 | 0 | 110.5 | P438 V444 L445 L446 | P438-I442 WeakPolarHBondContact O-CB 3.28Å; P438-I442 WeakPolarHBondContact O-CD1 3.38Å; P438-I442 WeakPolarHBondContact O-CG1 3.36Å; P438-I442 PolarHBondContact O-N 3.29Å; I442-V444 PolarHBondContact O-N 2.98Å; I442-L445 PolarHBondContact O-N 3.21Å; I442-L446 HydrophobicContact CG2-CD1 3.94Å; I442-L446 HydrophobicContact CG2-CG 4.33Å; I442-L446 VanDerWaalsContact O-CG 3.32Å; I442-L446 WeakPolarHBondContact O-CG 3.38Å; I442-L446 PolarHBondContact O-N 3.37Å |
| 443 | T | 91.9 | Very high | 90.9 | Very high | 30 Ų | 30 | 54 Ų | 54 | 18% | 0.184 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 179.4 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | A392 V439 V440 M441 L446 G447 | A392-T443 HydrophobicContact CB-CG2 4.01Å; A392-T443 WeakPolarHBondContact CB-O 3.42Å; A392-T443 WeakPolarHBondContact O-CG2 3.45Å; V439-T443 WeakPolarHBondContact O-CB 3.41Å; V439-T443 PolarHBondContact O-N 3.23Å; V439-T443 PolarHBondContact O-OG1 3.49Å; V440-T443 PolarHBondContact O-N 3.15Å; M441-T443 VanDerWaalsContact C-N 3.32Å; M441-T443 PolarHBondContact O-N 3.3Å; T443-L446 PolarHBondContact O-N 3.24Å; T443-G447 PolarHBondContact O-N 3.25Å |
| 444 | V | 89.8 | Confident | 90.3 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 176.2 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | L176 L385 L393 V440 M441 I442 L446 G447 S448 | L176-V444 HydrophobicContact CD2-CG1 4.47Å; L385-V444 HydrophobicContact CD1-CG1 4.31Å; L393-V444 HydrophobicContact CB-CG2 3.85Å; L393-V444 HydrophobicContact CD1-CG2 3.61Å; L393-V444 HydrophobicContact CG-CG2 4.21Å; V440-V444 WeakPolarHBondContact O-CG2 3.41Å; V440-V444 PolarHBondContact O-N 3.36Å; M441-V444 PolarHBondContact O-N 3.41Å; I442-V444 PolarHBondContact O-N 2.98Å; V444-L446 VanDerWaalsContact C-N 3.31Å; V444-L446 PolarHBondContact O-N 3.18Å; V444-G447 CarbonylContact O-C 3.59Å; V444-G447 WeakPolarHBondContact O-CA 3.49Å; V444-G447 PolarHBondContact O-N 3.27Å; V444-G447 VanDerWaalsContact O-N 3.1Å; V444-S448 PolarHBondContact O-N 3.19Å; V444-S448 PolarHBondContact O-OG 3.37Å |
| 445 | L | 87.2 | Confident | 89.6 | Confident | 79 Ų | 79 | 55.3 Ų | 55.3 | 41% | 0.414 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60 | -40.8 | 178.8 | -73.8 | 167.9 | 0 | 0 | 0 | 112.2 | L176 M441 I442 S448 Y449 | L176-L445 HydrophobicContact CD2-CD2 3.48Å; L176-L445 VanDerWaalsContact CD2-CD2 3.48Å; L176-L445 HydrophobicContact CD2-CG 4.31Å; L176-L445 HydrophobicContact CG-CD2 4.13Å; M441-L445 VanDerWaalsContact O-CG 3.32Å; M441-L445 WeakPolarHBondContact O-CG 3.29Å; M441-L445 PolarHBondContact O-N 3.19Å; I442-L445 PolarHBondContact O-N 3.21Å; L445-S448 PolarHBondContact O-N 3.31Å; L445-Y449 WeakPolarHBondContact O-CB 3.47Å; L445-Y449 PolarHBondContact O-N 3.45Å |
| 446 | L | 89.6 | Confident | 88.5 | Confident | 105 Ų | 105 | 53.2 Ų | 53.2 | 55% | 0.55 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 173.7 | -70.9 | 171.9 | 0 | 0 | 0 | 111.5 | I442 T443 V444 Y449 C450 | I442-L446 HydrophobicContact CG2-CD1 3.94Å; I442-L446 HydrophobicContact CG2-CG 4.33Å; I442-L446 VanDerWaalsContact O-CG 3.32Å; I442-L446 WeakPolarHBondContact O-CG 3.38Å; I442-L446 PolarHBondContact O-N 3.37Å; T443-L446 PolarHBondContact O-N 3.24Å; V444-L446 VanDerWaalsContact C-N 3.31Å; V444-L446 PolarHBondContact O-N 3.18Å; L446-Y449 PolarHBondContact O-N 2.95Å; L446-C450 PolarHBondContact O-N 3.48Å; L446-C450 PolarHBondContact O-SG 2.97Å; L446-C450 VanDerWaalsContact O-SG 3.35Å |
| 447 | G | 89.2 | Confident | 87 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 6% | 0.062 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | W388 A389 T443 V444 C450 S451 | W388-G447 CarbonylContact C-O 3.47Å; W388-G447 WeakPolarHBondContact CB-O 3.31Å; A389-G447 PolarHBondContact N-O 2.91Å; T443-G447 PolarHBondContact O-N 3.25Å; V444-G447 CarbonylContact O-C 3.59Å; V444-G447 WeakPolarHBondContact O-CA 3.49Å; V444-G447 PolarHBondContact O-N 3.27Å; V444-G447 VanDerWaalsContact O-N 3.1Å; G447-C450 PolarHBondContact O-N 3.02Å; G447-S451 PolarHBondContact O-N 3.39Å; G447-S451 PolarHBondContact O-OG 3.46Å |
| 448 | S | 86.2 | Confident | 86.7 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 4% | 0.035 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.6 | -46 | 173.1 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | A389 V444 L445 C450 S451 I452 | A389-S448 WeakPolarHBondContact CB-OG 3.48Å; V444-S448 PolarHBondContact O-N 3.19Å; V444-S448 PolarHBondContact O-OG 3.37Å; L445-S448 PolarHBondContact O-N 3.31Å; S448-C450 PolarHBondContact O-N 3.25Å; S448-S451 WeakPolarHBondContact O-CB 3.48Å; S448-S451 PolarHBondContact O-N 3.14Å; S448-S451 VanDerWaalsContact O-N 3.08Å; S448-I452 WeakPolarHBondContact O-CG1 3.39Å; S448-I452 PolarHBondContact O-N 2.7Å |
| 449 | Y | 87.5 | Confident | 86.4 | Confident | 139 Ų | 139 | 59.2 Ų | 59.2 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 176.1 | 178.9 | -103.1 | 0 | 0 | 0 | 112.5 | L445 L446 S451 I452 N453 | L445-Y449 WeakPolarHBondContact O-CB 3.47Å; L445-Y449 PolarHBondContact O-N 3.45Å; L446-Y449 PolarHBondContact O-N 2.95Å; Y449-S451 VanDerWaalsContact C-N 3.29Å; Y449-S451 PolarHBondContact O-N 3.21Å; Y449-I452 PolarHBondContact O-N 3.23Å; Y449-N453 WeakPolarHBondContact CE1-ND2 3.47Å; Y449-N453 PolarHBondContact O-N 3.1Å; Y449-N453 VanDerWaalsContact O-N 3.08Å; Y449-N453 PolarHBondContact OH-ND2 3.31Å; Y449-N453 VanDerWaalsContact OH-ND2 3.17Å |
| 450 | C | 88.3 | Confident | 86 | Confident | 63 Ų | 63 | 58.7 Ų | 58.7 | 43% | 0.426 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -34.8 | 174.4 | -69.6 | 0 | 0 | 0 | 0 | 112.7 | W388 L446 G447 S448 A454 | W388-C450 HydrophobicContact CB-CB 4.05Å; W388-C450 HydrophobicContact CG-CB 4.23Å; L446-C450 PolarHBondContact O-N 3.48Å; L446-C450 PolarHBondContact O-SG 2.97Å; L446-C450 VanDerWaalsContact O-SG 3.35Å; G447-C450 PolarHBondContact O-N 3.02Å; S448-C450 PolarHBondContact O-N 3.25Å; C450-A454 VanDerWaalsContact O-CB 3.28Å; C450-A454 WeakPolarHBondContact O-CB 3.44Å; C450-A454 PolarHBondContact O-N 3.29Å |
| 451 | S | 86.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67 | -41.5 | 176.8 | -58.9 | 0 | 0 | 0 | 0 | 112.6 | L385 W388 A389 G447 S448 Y449 A454 G455 H456 | L385-S451 WeakPolarHBondContact O-CB 3.49Å; L385-S451 PolarHBondContact O-OG 3.11Å; W388-S451 VanDerWaalsContact CB-OG 3.29Å; W388-S451 WeakPolarHBondContact CB-OG 3.38Å; W388-S451 PolarHBondContact N-OG 2.84Å; A389-S451 PolarHBondContact N-OG 3.3Å; G447-S451 PolarHBondContact O-N 3.39Å; G447-S451 PolarHBondContact O-OG 3.46Å; S448-S451 WeakPolarHBondContact O-CB 3.48Å; S448-S451 PolarHBondContact O-N 3.14Å; S448-S451 VanDerWaalsContact O-N 3.08Å; Y449-S451 VanDerWaalsContact C-N 3.29Å; Y449-S451 PolarHBondContact O-N 3.21Å; S451-A454 PolarHBondContact O-N 3.45Å; S451-G455 PolarHBondContact O-N 3.48Å; S451-H456 PolarHBondContact O-N 3.46Å |
| 452 | I | 84.2 | Confident | 85.1 | Confident | 77 Ų | 77 | 64.4 Ų | 64.4 | 40% | 0.395 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.5 | -51.4 | 175.3 | -64.2 | 166.8 | 0 | 0 | 0 | 109.9 | S448 Y449 A454 G455 M457 | S448-I452 WeakPolarHBondContact O-CG1 3.39Å; S448-I452 PolarHBondContact O-N 2.7Å; Y449-I452 PolarHBondContact O-N 3.23Å; I452-A454 PolarHBondContact O-N 3.31Å; I452-G455 PolarHBondContact O-N 3.29Å; I452-M457 HydrophobicContact CD1-CE 3.82Å; I452-M457 HydrophobicContact CG1-CE 3.22Å |
| 453 | N | 85.8 | Confident | 84.7 | Confident | 100 Ų | 100 | 62.1 Ų | 62.1 | 54% | 0.535 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66 | -24.7 | -177.5 | -74.7 | -8.9 | 0 | 0 | 0 | 113.7 | Y449 G455 | Y449-N453 WeakPolarHBondContact CE1-ND2 3.47Å; Y449-N453 PolarHBondContact O-N 3.1Å; Y449-N453 VanDerWaalsContact O-N 3.08Å; Y449-N453 PolarHBondContact OH-ND2 3.31Å; Y449-N453 VanDerWaalsContact OH-ND2 3.17Å; N453-G455 VanDerWaalsContact C-N 3.3Å |
| 454 | A | 85.4 | Confident | 84.2 | Confident | 53 Ų | 53 | 64.4 Ų | 64.4 | 44% | 0.438 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -3.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | C450 S451 I452 H456 | C450-A454 VanDerWaalsContact O-CB 3.28Å; C450-A454 WeakPolarHBondContact O-CB 3.44Å; C450-A454 PolarHBondContact O-N 3.29Å; S451-A454 PolarHBondContact O-N 3.45Å; I452-A454 PolarHBondContact O-N 3.31Å; A454-H456 VanDerWaalsContact CB-CD2 3.48Å; A454-H456 WeakPolarHBondContact CB-CD2 3.48Å |
| 455 | G | 81.2 | Confident | 83.8 | Confident | 57 Ų | 57 | 68.5 Ų | 68.5 | 59% | 0.588 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 28 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | S451 I452 N453 | S451-G455 PolarHBondContact O-N 3.48Å; I452-G455 PolarHBondContact O-N 3.29Å; N453-G455 VanDerWaalsContact C-N 3.3Å |
| 456 | H | 73.5 | Confident | 83.5 | Confident | 108 Ų | 108 | 67.7 Ų | 67.7 | 50% | 0.5 | 38% | 0.38 | S | S | . | . | trans | -93.4 | 4.4 | 178.9 | -69.3 | -57.1 | 0 | 0 | 0 | 114.3 | P387 W388 S451 A454 | P387-H456 HydrophobicContact CG-CB 4.1Å; W388-H456 AromaticContact NE1-CD2 3.82Å; S451-H456 PolarHBondContact O-N 3.46Å; A454-H456 VanDerWaalsContact CB-CD2 3.48Å; A454-H456 WeakPolarHBondContact CB-CD2 3.48Å | ||
| 457 | M | 65.1 | Low | 83 | Confident | 99 Ų | 99 | 64.3 Ų | 64.3 | 49% | 0.488 | 37% | 0.365 | S | S | . | . | trans | -133.2 | 0 | 171.2 | -66.7 | -156.6 | -69.3 | 0 | 0 | 108.5 | S179 L385 I452 | S179-M457 WeakPolarHBondContact O-CE 3.46Å; L385-M457 VanDerWaalsContact CA-SD 3.56Å; I452-M457 HydrophobicContact CD1-CE 3.82Å; I452-M457 HydrophobicContact CG1-CE 3.22Å |
Retrieved 457 of 457 residues in 84.4 ms
(Link to these results)