| 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 | 35.3 | Very low | 29.5 | Very low | 245 Ų | 245 | 162.5 Ų | 162.5 | 100% | 1.207 | 84% | 0.838 | S | S | * | * | 0 | 115.7 | 0 | -66.3 | 168.8 | 178.9 | 0 | 0 | 107.6 | |||||
| 2 | M | 24 | Very low | 29.5 | Very low | 187 Ų | 187 | 165.1 Ų | 165.1 | 92% | 0.921 | 84% | 0.844 | S | S | * | * | trans | -105.9 | 132.8 | 168.7 | -75 | -70.3 | -160.8 | 0 | 0 | 107.2 | ||||
| 3 | A | 30.1 | Very low | 30.1 | Very low | 97 Ų | 97 | 166.2 Ų | 166.2 | 80% | 0.802 | 84% | 0.839 | S | S | * | * | trans | -89.2 | 112.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | S5 | A3-S5 PolarHBondContact O-N 3.11Š| ||
| 4 | T | 29.3 | Very low | 30.4 | Very low | 124 Ų | 124 | 158.6 Ų | 158.6 | 76% | 0.761 | 82% | 0.823 | S | S | * | * | trans | -79.5 | 93.2 | 173.9 | 47 | 0 | 0 | 0 | 0 | 110 | Q6 | T4-Q6 PolarHBondContact O-N 3.07Š| ||
| 5 | S | 29.8 | Very low | 31 | Very low | 120 Ų | 120 | 157.2 Ų | 157.2 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | trans | -64.1 | 102.9 | 170.3 | -57.3 | 0 | 0 | 0 | 0 | 110 | A3 | A3-S5 PolarHBondContact O-N 3.11Š| ||
| 6 | Q | 32.5 | Very low | 32.3 | Very low | 178 Ų | 178 | 156.7 Ų | 156.7 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -74.8 | 141.5 | 171 | -73.4 | -173.5 | -21.2 | 0 | 0 | 110.2 | T4 I8 | T4-Q6 PolarHBondContact O-N 3.07Å; Q6-I8 PolarHBondContact O-N 3.13Å; Q6-I8 VanDerWaalsContact O-N 3.17Å | ||
| 7 | N | 26.6 | Very low | 33.8 | Very low | 140 Ų | 140 | 152 Ų | 152 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | -80.2 | 99.6 | -166.9 | -169.2 | -102.6 | 0 | 0 | 0 | 110.7 | K9 | N7-K9 PolarHBondContact O-N 3.3Š| ||
| 8 | I | 33.4 | Very low | 35.5 | Very low | 146 Ų | 146 | 149.2 Ų | 149.2 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -70.9 | 112.3 | 163.1 | -60.9 | 177.5 | 0 | 0 | 0 | 106.7 | Q6 E10 | Q6-I8 PolarHBondContact O-N 3.13Å; Q6-I8 VanDerWaalsContact O-N 3.17Å; I8-E10 HydrophobicContact CG2-CG 4.33Å; I8-E10 PolarHBondContact O-N 3.24Å; I8-E10 VanDerWaalsContact O-N 3.12Å | ||
| 9 | K | 26.5 | Very low | 37 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 71% | 0.709 | 74% | 0.74 | S | S | * | * | trans | -73.8 | 95.1 | 163.8 | -75.4 | -174.1 | 176.2 | -178.2 | 0 | 108.2 | N7 Y11 | N7-K9 PolarHBondContact O-N 3.3Å; K9-Y11 PolarHBondContact O-N 2.95Å | ||
| 10 | E | 27.9 | Very low | 37.6 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 84% | 0.836 | 72% | 0.724 | S | S | * | * | trans | -62.6 | 103.5 | 160.2 | -69 | -178.5 | 125.2 | 0 | 0 | 107.7 | I8 E12 | I8-E10 HydrophobicContact CG2-CG 4.33Å; I8-E10 PolarHBondContact O-N 3.24Å; I8-E10 VanDerWaalsContact O-N 3.12Å; E10-E12 PolarHBondContact O-N 3.19Å | ||
| 11 | Y | 29.1 | Very low | 37.6 | Very low | 208 Ų | 208 | 132.8 Ų | 132.8 | 82% | 0.816 | 70% | 0.701 | S | S | * | * | trans | -69.8 | 118.9 | 162 | -98.4 | -93.1 | 0 | 0 | 0 | 107.3 | K9 K13 | K9-Y11 PolarHBondContact O-N 2.95Å; Y11-K13 VanDerWaalsContact C-N 3.33Å; Y11-K13 PolarHBondContact O-N 2.68Å | ||
| 12 | E | 29.7 | Very low | 37.8 | Very low | 194 Ų | 194 | 123.5 Ų | 123.5 | 91% | 0.907 | 66% | 0.659 | S | S | * | * | trans | -63 | 94.2 | 173.3 | -68.5 | -175.7 | 129.8 | 0 | 0 | 109.2 | E10 G14 | E10-E12 PolarHBondContact O-N 3.19Å; E12-G14 PolarHBondContact O-N 3.09Å | ||
| 13 | K | 36.9 | Very low | 38.3 | Very low | 179 Ų | 179 | 120.3 Ų | 120.3 | 78% | 0.778 | 65% | 0.65 | S | S | * | * | trans | -59.9 | 108.2 | 163.7 | -88.8 | -178.3 | 175.5 | 174.1 | 0 | 107.2 | Y11 | Y11-K13 VanDerWaalsContact C-N 3.33Å; Y11-K13 PolarHBondContact O-N 2.68Å | ||
| 14 | G | 35.3 | Very low | 38.4 | Very low | 60 Ų | 60 | 124.6 Ų | 124.6 | 62% | 0.619 | 65% | 0.653 | S | S | * | * | trans | -49.3 | 142.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | E12 K16 | E12-G14 PolarHBondContact O-N 3.09Å; G14-K16 PolarHBondContact O-N 3.41Å | ||
| 15 | T | 38.6 | Very low | 38.3 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 85% | 0.847 | 66% | 0.655 | S | S | * | * | trans | -58.8 | 97.6 | -173.6 | 42.5 | 0 | 0 | 0 | 0 | 110.8 | K17 | T15-K17 PolarHBondContact O-N 3.08Š| ||
| 16 | K | 51.3 | Low | 38.2 | Very low | 149 Ų | 149 | 126.8 Ų | 126.8 | 65% | 0.648 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 123.2 | 172.8 | -65.5 | -159.6 | 174.3 | -159.1 | 0 | 107.9 | G14 T18 | G14-K16 PolarHBondContact O-N 3.41Å; K16-T18 PolarHBondContact O-N 3.36Å |
| 17 | K | 58.9 | Low | 38 | Very low | 77 Ų | 77 | 126.5 Ų | 126.5 | 34% | 0.335 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 131.5 | 175.6 | -178.4 | -169.7 | 160.9 | -160.3 | 0 | 107.3 | T15 F19 W262 E295 | T15-K17 PolarHBondContact O-N 3.08Å; K17-F19 PolarHBondContact O-N 3.32Å; K17-W262 WeakPolarHBondContact O-CZ2 3.48Å; K17-E295 IonicContact NZ-OE2 3.95Å |
| 18 | T | 64 | Low | 38.1 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 62% | 0.62 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 135.8 | 170 | -43.3 | 0 | 0 | 0 | 0 | 109.1 | K16 A20 Y307 | K16-T18 PolarHBondContact O-N 3.36Å; T18-A20 PolarHBondContact O-N 3.12Å; T18-A20 VanDerWaalsContact O-N 3.08Å; T18-Y307 WeakPolarHBondContact CG2-OH 3.43Å |
| 19 | F | 63.8 | Low | 38 | Very low | 18 Ų | 18 | 126.1 Ų | 126.1 | 8% | 0.079 | 65% | 0.647 | C | S | . | * | trans | -56.2 | 115.3 | 163.6 | -174.2 | -85.9 | 0 | 0 | 0 | 107.3 | K17 W251 W262 W298 V305 Y307 | K17-F19 PolarHBondContact O-N 3.32Å; F19-W251 HydrophobicContact CE2-CB 4.23Å; F19-W251 AromaticContact CE2-CD2 3.95Å; F19-W251 HydrophobicContact CE2-CD2 3.95Å; F19-W251 AromaticContact CE2-CE3 3.99Å; F19-W251 HydrophobicContact CE2-CE3 3.99Å; F19-W251 HydrophobicContact CE2-CG 4.05Å; F19-W251 HydrophobicContact CZ-CD2 4.41Å; F19-W262 HydrophobicContact CB-CH2 4.35Å; F19-W262 HydrophobicContact CB-CZ2 3.87Å; F19-W262 HydrophobicContact CD2-CB 4.38Å; F19-W262 AromaticContact CD2-CD2 3.56Å; F19-W262 HydrophobicContact CD2-CD2 3.56Å; F19-W262 AromaticContact CD2-CE2 3.83Å; F19-W262 AromaticContact CD2-CE3 3.84Å; F19-W262 HydrophobicContact CD2-CE3 3.84Å; F19-W262 AromaticContact CD2-CG 3.79Å; F19-W262 HydrophobicContact CD2-CG 3.79Å; F19-W262 HydrophobicContact CD2-CZ2 4.32Å; F19-W262 HydrophobicContact CD2-CZ3 4.32Å; F19-W262 HydrophobicContact CE2-CB 4.27Å; F19-W262 HydrophobicContact CE2-CD2 4.27Å; F19-W262 HydrophobicContact CE2-CE3 4.47Å; F19-W262 HydrophobicContact CE2-CG 4.16Å; F19-W298 AromaticContact CE1-CD2 3.87Å; F19-W298 HydrophobicContact CE1-CD2 3.87Å; F19-W298 AromaticContact CE1-CE3 3.7Å; F19-W298 HydrophobicContact CE1-CE3 3.7Å; F19-W298 HydrophobicContact CE1-CG 4.36Å; F19-W298 HydrophobicContact CE1-CH2 4.32Å; F19-W298 AromaticContact CE1-CZ3 3.94Å; F19-W298 HydrophobicContact CE1-CZ3 3.94Å; F19-W298 HydrophobicContact CZ-CB 4.06Å; F19-W298 AromaticContact CZ-CD2 3.98Å; F19-W298 HydrophobicContact CZ-CD2 3.98Å; F19-W298 HydrophobicContact CZ-CE3 4.19Å; F19-W298 AromaticContact CZ-CG 3.98Å; F19-W298 HydrophobicContact CZ-CG 3.98Å; F19-V305 HydrophobicContact CB-CG1 4.19Å; F19-V305 HydrophobicContact CD1-CG1 4Å; F19-V305 HydrophobicContact CD1-CG2 4.05Å; F19-V305 HydrophobicContact CE1-CG2 4.15Å; F19-V305 HydrophobicContact CG-CG1 4.17Å; F19-Y307 HydrophobicContact CB-CE1 4.32Å; F19-Y307 WeakPolarHBondContact CB-OH 3.46Å; F19-Y307 PolarHBondContact N-OH 3.42Å | ||
| 20 | A | 48.6 | Very low | 38 | Very low | 52 Ų | 52 | 127 Ų | 127 | 43% | 0.43 | 65% | 0.651 | S | S | . | * | trans | -120.2 | 124 | -177.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | T18 P22 | T18-A20 PolarHBondContact O-N 3.12Å; T18-A20 VanDerWaalsContact O-N 3.08Å; A20-P22 WeakPolarHBondContact O-CD 3.25Å | ||
| 21 | S | 38 | Very low | 38.1 | Very low | 34 Ų | 34 | 124.2 Ų | 124.2 | 24% | 0.238 | 65% | 0.648 | C | S | . | * | trans | -55.4 | 129 | -179.8 | 55.8 | 0 | 0 | 0 | 0 | 110.5 | T23 E302 | S21-T23 VanDerWaalsContact C-N 3.26Å; S21-T23 PolarHBondContact O-N 3.32Å; S21-T23 PolarHBondContact O-OG1 2.88Å; S21-E302 VanDerWaalsContact CB-OE1 3.31Å; S21-E302 WeakPolarHBondContact CB-OE1 3.46Å; S21-E302 PolarHBondContact N-OE1 3.38Å; S21-E302 PolarHBondContact OG-OE1 3.49Å | ||
| 22 | P | 40.6 | Very low | 37.9 | Very low | 50 Ų | 50 | 122.2 Ų | 122.2 | 33% | 0.325 | 65% | 0.646 | S | S | . | * | trans | -65.6 | 85.4 | 176.4 | -26.4 | 37.6 | 0 | 0 | 0 | 111.3 | A20 Q24 T297 | A20-P22 WeakPolarHBondContact O-CD 3.25Å; P22-Q24 PolarHBondContact O-N 2.94Å; P22-T297 HydrophobicContact CB-CG2 4.49Å | ||
| 23 | T | 33.4 | Very low | 37.8 | Very low | 119 Ų | 119 | 117.5 Ų | 117.5 | 73% | 0.73 | 64% | 0.64 | S | S | * | * | trans | -58.9 | 123.8 | -167.6 | -6.4 | 0 | 0 | 0 | 0 | 110.6 | S21 K25 | S21-T23 VanDerWaalsContact C-N 3.26Å; S21-T23 PolarHBondContact O-N 3.32Å; S21-T23 PolarHBondContact O-OG1 2.88Å; T23-K25 PolarHBondContact O-N 3.13Å | ||
| 24 | Q | 31.9 | Very low | 37.4 | Very low | 188 Ų | 188 | 114.8 Ų | 114.8 | 88% | 0.879 | 63% | 0.634 | S | S | * | * | trans | -58 | 111.3 | -179.1 | -170.5 | -177.1 | 52.5 | 0 | 0 | 109.3 | P22 S26 | P22-Q24 PolarHBondContact O-N 2.94Å; Q24-S26 PolarHBondContact O-N 3.48Å | ||
| 25 | K | 28.3 | Very low | 37 | Very low | 184 Ų | 184 | 117.5 Ų | 117.5 | 80% | 0.8 | 64% | 0.644 | S | S | * | * | trans | -67.5 | 94.4 | 179.9 | -72.3 | -175.5 | -175.6 | 176.5 | 0 | 109.7 | T23 H27 | T23-K25 PolarHBondContact O-N 3.13Å; K25-H27 PolarHBondContact O-CD2 3.36Å; K25-H27 PolarHBondContact O-N 3.34Å | ||
| 26 | S | 26.7 | Very low | 36.4 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 74% | 0.741 | 65% | 0.647 | S | S | * | * | trans | -59.7 | 108.8 | 166.4 | 49.4 | 0 | 0 | 0 | 0 | 108.4 | Q24 H28 | Q24-S26 PolarHBondContact O-N 3.48Å; S26-H28 PolarHBondContact O-N 3.22Å | ||
| 27 | H | 29.6 | Very low | 35.2 | Very low | 172 Ų | 172 | 125.2 Ų | 125.2 | 80% | 0.796 | 66% | 0.66 | S | S | * | * | trans | -70.8 | 78.8 | 173 | -86.9 | -100.9 | 0 | 0 | 0 | 108.8 | K25 V29 | K25-H27 PolarHBondContact O-CD2 3.36Å; K25-H27 PolarHBondContact O-N 3.34Å; H27-V29 PolarHBondContact O-N 3.08Å | ||
| 28 | H | 27.9 | Very low | 33.7 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 73% | 0.731 | 69% | 0.685 | S | S | * | * | trans | -71.5 | 81.4 | 174 | -161.9 | -38.7 | 0 | 0 | 0 | 109.4 | S26 K30 | S26-H28 PolarHBondContact O-N 3.22Å; H28-K30 PolarHBondContact O-N 3.06Å; H28-K30 VanDerWaalsContact O-N 3.17Å | ||
| 29 | V | 30.1 | Very low | 31.9 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 121.7 | 164.3 | 177.8 | 0 | 0 | 0 | 0 | 107 | H27 | H27-V29 PolarHBondContact O-N 3.08Š|
| 30 | K | 27.8 | Very low | 30.6 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 128.9 | 168.6 | -76.3 | -173.9 | 174 | -176.7 | 0 | 107.8 | H28 Q32 | H28-K30 PolarHBondContact O-N 3.06Å; H28-K30 VanDerWaalsContact O-N 3.17Å; K30-Q32 PolarHBondContact O-N 3.3Å; K30-Q32 VanDerWaalsContact O-N 3.17Å |
| 31 | P | 29.9 | Very low | 29.5 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 118.2 | 163.3 | -18.8 | 32 | 0 | 0 | 0 | 108.5 | ||
| 32 | Q | 25.5 | Very low | 28.9 | Very low | 165 Ų | 165 | 148 Ų | 148 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -80 | 118.7 | 169 | -177.5 | 178.3 | -62.6 | 0 | 0 | 107.8 | K30 D34 | K30-Q32 PolarHBondContact O-N 3.3Å; K30-Q32 VanDerWaalsContact O-N 3.17Å; Q32-D34 PolarHBondContact NE2-OD1 3.13Å |
| 33 | A | 27.4 | Very low | 28.3 | Very low | 95 Ų | 95 | 151.7 Ų | 151.7 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -87.3 | 114.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 34 | D | 27.1 | Very low | 27.9 | Very low | 122 Ų | 122 | 151.5 Ų | 151.5 | 65% | 0.652 | 81% | 0.811 | S | S | * | * | trans | -71.9 | 132.3 | 175.6 | -69.7 | -37.5 | 0 | 0 | 0 | 110.8 | Q32 | Q32-D34 PolarHBondContact NE2-OD1 3.13Š| ||
| 35 | S | 28.5 | Very low | 27.7 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -142.1 | 114.9 | 158.7 | 59.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 36 | W | 24.5 | Very low | 27.7 | Very low | 241 Ų | 241 | 145.5 Ų | 145.5 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -83.1 | 134.3 | 177.2 | -66.4 | 31.7 | 0 | 0 | 0 | 109.1 | ||||
| 37 | K | 27.4 | Very low | 27.8 | Very low | 209 Ų | 209 | 148.3 Ų | 148.3 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -147.6 | 154.5 | 147 | -77.5 | -141.7 | 172.7 | -144.4 | 0 | 110.5 | ||||
| 38 | E | 25.7 | Very low | 27.7 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -95.2 | 151.9 | -162.8 | -60.2 | 153.7 | 117.4 | 0 | 0 | 112.9 | ||||
| 39 | D | 26.2 | Very low | 27.7 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -68.2 | 157.4 | 164 | -77.9 | -48.9 | 0 | 0 | 0 | 111.6 | ||||
| 40 | P | 36.8 | Very low | 27.5 | Very low | 125 Ų | 125 | 145 Ų | 145 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | -131.5 | 161.2 | 125 | 36.5 | -28.8 | 0 | 0 | 0 | 115 | |||||
| 41 | Q | 26.7 | Very low | 27.8 | Very low | 204 Ų | 204 | 145.6 Ų | 145.6 | 95% | 0.953 | 81% | 0.814 | S | S | * | * | trans | -77.4 | 159.6 | -170.2 | -58.2 | 158.5 | -15.7 | 0 | 0 | 114 | ||||
| 42 | G | 25.4 | Very low | 28 | Very low | 82 Ų | 82 | 145.8 Ų | 145.8 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -172 | 116.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 43 | T | 27.2 | Very low | 28 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | trans | -98.6 | 151.1 | -170.2 | 47.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 44 | S | 26.2 | Very low | 28.2 | Very low | 115 Ų | 115 | 156.1 Ų | 156.1 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | 65.4 | 165.7 | 151.1 | 71 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 45 | S | 27.6 | Very low | 28.7 | Very low | 98 Ų | 98 | 156.1 Ų | 156.1 | 69% | 0.685 | 83% | 0.833 | S | S | * | * | cis | -172.6 | 146.7 | -33.5 | -178 | 0 | 0 | 0 | 0 | 109 | ||||
| 46 | L | 27.9 | Very low | 28.9 | Very low | 148 Ų | 148 | 162.3 Ų | 162.3 | 78% | 0.775 | 84% | 0.839 | S | S | * | * | trans | 65.9 | 167.7 | 178.2 | -49.9 | 175.2 | 0 | 0 | 0 | 113.7 | ||||
| 47 | E | 28.5 | Very low | 28.9 | Very low | 166 Ų | 166 | 155.7 Ų | 155.7 | 78% | 0.776 | 84% | 0.835 | S | S | * | * | cis | -160.5 | 178.5 | -13.7 | -124.2 | 177.3 | 76 | 0 | 0 | 108.2 | ||||
| 48 | A | 26.9 | Very low | 28.9 | Very low | 83 Ų | 83 | 151.2 Ų | 151.2 | 69% | 0.686 | 83% | 0.83 | S | S | * | * | cis | -144.3 | -93.4 | -2.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 49 | E | 28 | Very low | 30.3 | Very low | 193 Ų | 193 | 147.5 Ų | 147.5 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -125 | 137.9 | -164.3 | -67.5 | -160 | 96.8 | 0 | 0 | 116.3 | ||||
| 50 | A | 25.8 | Very low | 30.3 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | -170.9 | 142.5 | 128.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 51 | K | 33.5 | Very low | 29.8 | Very low | 194 Ų | 194 | 151.3 Ų | 151.3 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -140.3 | 141.7 | 170.8 | -82.4 | 174.5 | -179.2 | 156.5 | 0 | 109.9 | ||||
| 52 | P | 34.7 | Very low | 29.8 | Very low | 125 Ų | 125 | 148.7 Ų | 148.7 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | -129.5 | 131.7 | 99.1 | 5.3 | 16.6 | 0 | 0 | 0 | 112.1 | |||||
| 53 | R | 26.1 | Very low | 30.1 | Very low | 235 Ų | 235 | 152 Ų | 152 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | 89.2 | 102.3 | 71.8 | -77.9 | -174.8 | -178.8 | -122.5 | 3.2 | 115.1 | |||||
| 54 | R | 31.2 | Very low | 30.2 | Very low | 242 Ų | 242 | 154 Ų | 154 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | trans | -38.9 | 166.7 | 149.6 | -80 | -176.7 | -177 | -168.7 | 2.6 | 114 | ||||
| 55 | P | 38.6 | Very low | 30.3 | Very low | 122 Ų | 122 | 155 Ų | 155 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | cis | -154.2 | 175.9 | 42.2 | 45.2 | -24.2 | 0 | 0 | 0 | 121.3 | ||||
| 56 | R | 31 | Very low | 30.3 | Very low | 248 Ų | 248 | 154.5 Ų | 154.5 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | trans | -70.6 | 160.5 | 155.6 | -67.6 | 178 | 172.5 | 176.7 | -4 | 110.7 | ||||
| 57 | A | 24.5 | Very low | 30.4 | Very low | 102 Ų | 102 | 153.1 Ų | 153.1 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -138.5 | 144.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 58 | S | 28.7 | Very low | 30.4 | Very low | 115 Ų | 115 | 153 Ų | 153 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -170.5 | 180 | 168.6 | 59.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 59 | P | 53.9 | Low | 30.5 | Very low | 109 Ų | 109 | 157 Ų | 157 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | -120.5 | 173.7 | -66.3 | 39.4 | -27.9 | 0 | 0 | 0 | 112.6 | |||||
| 60 | K | 26.1 | Very low | 30.4 | Very low | 197 Ų | 197 | 150.7 Ų | 150.7 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -178.5 | 146.9 | 157.2 | -96.4 | 142.2 | -169.1 | 179.6 | 0 | 109.8 | ||||
| 61 | K | 26.6 | Very low | 31.2 | Very low | 170 Ų | 170 | 151.9 Ų | 151.9 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | 63.9 | 141.6 | 75.2 | -111 | -173.2 | 177.3 | -149.5 | 0 | 112.9 | |||||
| 62 | E | 28.4 | Very low | 31 | Very low | 148 Ų | 148 | 150.5 Ų | 150.5 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | cis | -154.9 | -146.7 | 23 | -159.3 | 144.1 | -145.3 | 0 | 0 | 114.8 | ||||
| 63 | Q | 30.3 | Very low | 30.8 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | -84.6 | -170.9 | -169.8 | -56.4 | 179.1 | -19.1 | 0 | 0 | 114 | ||||
| 64 | K | 30.1 | Very low | 30.9 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 73% | 0.726 | 78% | 0.782 | S | S | * | * | cis | -175 | -179.5 | 27.2 | -147.5 | 167 | -171.7 | 171.9 | 0 | 113.4 | ||||
| 65 | T | 27.2 | Very low | 31 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | 66.5 | 159.8 | 161.5 | 36.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 66 | A | 28.8 | Very low | 30.9 | Very low | 89 Ų | 89 | 141 Ų | 141 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | cis | -167.8 | 175.1 | -2.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 67 | T | 28.8 | Very low | 31.1 | Very low | 118 Ų | 118 | 139 Ų | 139 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | cis | -173.3 | 154.7 | -29.1 | -77.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 68 | E | 29.2 | Very low | 31.8 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 76.6 | 152.1 | 160.1 | -97.1 | 172.8 | -169.2 | 0 | 0 | 125.8 | ||||
| 69 | H | 28.4 | Very low | 32 | Very low | 168 Ų | 168 | 150.4 Ų | 150.4 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | trans | 52.7 | 128.3 | 156 | -73.5 | -65 | 0 | 0 | 0 | 124.5 | ||||
| 70 | G | 26.1 | Very low | 31 | Very low | 61 Ų | 61 | 155.4 Ų | 155.4 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | trans | -102.2 | -173.2 | 151.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 71 | P | 43.3 | Very low | 31.3 | Very low | 127 Ų | 127 | 150.7 Ų | 150.7 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | -150.4 | 141.8 | 104.5 | 37.2 | -20.2 | 0 | 0 | 0 | 118.2 | |||||
| 72 | N | 30.1 | Very low | 31.6 | Very low | 166 Ų | 166 | 151.9 Ų | 151.9 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | 46.6 | 129.6 | 128.6 | -153.4 | 13.4 | 0 | 0 | 0 | 123.6 | |||||
| 73 | G | 29.9 | Very low | 31.9 | Very low | 75 Ų | 75 | 152.2 Ų | 152.2 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | 89.2 | 132.2 | 153 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 74 | G | 28.6 | Very low | 32.2 | Very low | 72 Ų | 72 | 154.6 Ų | 154.6 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | cis | 146.1 | 122.7 | -12.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 75 | Q | 31.9 | Very low | 32.6 | Very low | 197 Ų | 197 | 152.8 Ų | 152.8 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -168.5 | 146.7 | 159.5 | -114.6 | 176 | 35 | 0 | 0 | 112.3 | ||||
| 76 | E | 36.6 | Very low | 32.9 | Very low | 179 Ų | 179 | 151 Ų | 151 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | trans | -86.6 | 150.5 | 172.7 | -60.4 | 179.3 | 95.3 | 0 | 0 | 112.6 | ||||
| 77 | K | 36.5 | Very low | 33.3 | Very low | 207 Ų | 207 | 156.7 Ų | 156.7 | 90% | 0.9 | 84% | 0.835 | S | S | * | * | -162.1 | 138.6 | 127 | -107.9 | 146.3 | -168.8 | 166.2 | 0 | 114.7 | |||||
| 78 | K | 37.7 | Very low | 33.9 | Very low | 204 Ų | 204 | 161 Ų | 161 | 89% | 0.887 | 84% | 0.844 | S | S | * | * | trans | -88.7 | 119.6 | -170.4 | -175.8 | 179.9 | -170.9 | 171.4 | 0 | 111.7 | ||||
| 79 | R | 33.4 | Very low | 34.3 | Very low | 253 Ų | 253 | 163.2 Ų | 163.2 | 96% | 0.955 | 85% | 0.851 | S | S | * | * | trans | -137.9 | 163.8 | 160.9 | -74.5 | -161.3 | 172.5 | -171.5 | -1.8 | 111.2 | ||||
| 80 | K | 33.1 | Very low | 34.9 | Very low | 213 Ų | 213 | 158.5 Ų | 158.5 | 93% | 0.926 | 85% | 0.848 | S | S | * | * | trans | -136.8 | 120.9 | -151.6 | 173.8 | -170 | -179.9 | -174.5 | 0 | 110.5 | ||||
| 81 | A | 32 | Very low | 36 | Very low | 98 Ų | 98 | 165.5 Ų | 165.5 | 81% | 0.81 | 86% | 0.861 | S | S | * | * | trans | -155.3 | 109.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 82 | Q | 32.8 | Very low | 36.1 | Very low | 195 Ų | 195 | 168.6 Ų | 168.6 | 91% | 0.911 | 86% | 0.864 | S | S | * | * | trans | 25.4 | 146.1 | 151.1 | -68.8 | 176.2 | -48.6 | 0 | 0 | 124.2 | ||||
| 83 | D | 34.3 | Very low | 37.2 | Very low | 156 Ų | 156 | 169.6 Ų | 169.6 | 83% | 0.834 | 86% | 0.861 | S | S | * | * | trans | -66.1 | 152.8 | 177.9 | -52.7 | -97 | 0 | 0 | 0 | 116.3 | ||||
| 84 | K | 38.2 | Very low | 38.8 | Very low | 202 Ų | 202 | 175.6 Ų | 175.6 | 88% | 0.878 | 87% | 0.869 | S | S | * | * | trans | -139.2 | 134.5 | 142.9 | -73.4 | -167.8 | 177.4 | -179.5 | 0 | 110 | ||||
| 85 | P | 38.4 | Very low | 40.8 | Very low | 130 Ų | 130 | 178.1 Ų | 178.1 | 84% | 0.844 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 133.1 | -179.1 | 30.6 | -34.2 | 0 | 0 | 0 | 112.1 | ||
| 86 | A | 33.2 | Very low | 43.1 | Very low | 99 Ų | 99 | 173.3 Ų | 173.3 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 124.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K88 | A86-K88 PolarHBondContact O-N 3.24Š|
| 87 | K | 35.9 | Very low | 45.5 | Very low | 207 Ų | 207 | 168.4 Ų | 168.4 | 90% | 0.9 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 125.1 | 170.2 | -79 | -174.2 | 173.6 | -176.9 | 0 | 110 | ||
| 88 | K | 41.4 | Very low | 47.7 | Very low | 208 Ų | 208 | 165.1 Ų | 165.1 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 130.5 | 164.6 | -69.3 | -178.6 | 177.2 | 179 | 0 | 109.1 | A86 G90 | A86-K88 PolarHBondContact O-N 3.24Å; K88-G90 PolarHBondContact O-N 2.81Å |
| 89 | K | 38.9 | Very low | 50.1 | Low | 210 Ų | 210 | 158.9 Ų | 158.9 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 119.4 | 164.8 | -74.5 | -168.7 | 174 | -169.6 | 0 | 108.8 | ||
| 90 | G | 39.7 | Very low | 52.9 | Low | 69 Ų | 69 | 151 Ų | 151 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 155.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | K88 | K88-G90 PolarHBondContact O-N 2.81Š|
| 91 | K | 50.5 | Low | 55.6 | Low | 209 Ų | 209 | 146.6 Ų | 146.6 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 124.2 | 159.8 | -76.3 | -175.7 | 173.6 | -175.8 | 0 | 107.5 | K93 | K91-K93 PolarHBondContact O-N 3.49Š|
| 92 | E | 44.1 | Very low | 58.4 | Low | 191 Ų | 191 | 145.9 Ų | 145.9 | 89% | 0.893 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 133 | 164.1 | -76.2 | 165 | 123 | 0 | 0 | 108.9 | ||
| 93 | K | 55 | Low | 61.2 | Low | 187 Ų | 187 | 142.5 Ų | 142.5 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 131.9 | 159.7 | -66.7 | -176.9 | 177.3 | -174.7 | 0 | 106.1 | K91 T95 | K91-K93 PolarHBondContact O-N 3.49Å; K93-T95 PolarHBondContact O-N 3.39Å |
| 94 | Q | 62.8 | Low | 64.1 | Low | 201 Ų | 201 | 139.5 Ų | 139.5 | 94% | 0.939 | 71% | 0.714 | S | S | * | * | trans | -68.8 | 99 | 165.9 | -73.5 | 172.7 | -42 | 0 | 0 | 107.7 | ||||
| 95 | T | 69.7 | Low | 66.5 | Low | 125 Ų | 125 | 134.6 Ų | 134.6 | 77% | 0.767 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 118.4 | 164.4 | 41.2 | 0 | 0 | 0 | 0 | 107.9 | K93 | K93-T95 PolarHBondContact O-N 3.39Š|
| 96 | L | 80 | Confident | 68.9 | Low | 97 Ų | 97 | 132 Ų | 132 | 51% | 0.508 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 139.3 | 169.7 | -129.4 | 80.5 | 0 | 0 | 0 | 109.8 | E100 F101 I104 | L96-E100 HydrophobicContact CD2-CB 3.76Å; L96-E100 HydrophobicContact CG-CB 3.7Å; L96-F101 HydrophobicContact CD2-CB 4.4Å; L96-I104 HydrophobicContact CD2-CD1 3.69Å |
| 97 | T | 88.4 | Confident | 71.8 | Confident | 76 Ų | 76 | 130.5 Ų | 130.5 | 47% | 0.466 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -74.5 | 159.1 | 170.5 | 66 | 0 | 0 | 0 | 0 | 110.6 | A99 E100 F101 | T97-A99 PolarHBondContact O-N 3.33Å; T97-E100 VanDerWaalsContact CB-OE2 3.27Å; T97-E100 WeakPolarHBondContact CB-OE2 3.37Å; T97-E100 WeakPolarHBondContact CG2-OE2 3.38Å; T97-E100 PolarHBondContact N-OE2 3.37Å; T97-E100 PolarHBondContact O-N 3.35Å; T97-E100 WeakPolarHBondContact OG1-CG 3.29Å; T97-E100 PolarHBondContact OG1-N 2.75Å; T97-E100 PolarHBondContact OG1-OE2 3.38Å; T97-F101 PolarHBondContact O-N 3.37Å |
| 98 | N | 82.4 | Confident | 74.5 | Confident | 138 Ų | 138 | 124.4 Ų | 124.4 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.3 | -26.3 | 179.9 | -156.2 | 51.3 | 0 | 0 | 0 | 112.6 | E102 | N98-E102 PolarHBondContact O-N 3.21Å; N98-E102 VanDerWaalsContact O-N 3.07Å |
| 99 | A | 88.7 | Confident | 76.8 | Confident | 73 Ų | 73 | 117.9 Ų | 117.9 | 60% | 0.603 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.7 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T97 F101 E102 E103 | T97-A99 PolarHBondContact O-N 3.33Å; A99-F101 VanDerWaalsContact C-N 3.28Å; A99-F101 PolarHBondContact O-N 3.36Å; A99-E102 PolarHBondContact O-N 2.74Å; A99-E103 WeakPolarHBondContact O-CB 3.49Å; A99-E103 PolarHBondContact O-N 2.69Å |
| 100 | E | 90.9 | Very high | 79.2 | Confident | 88 Ų | 88 | 115 Ų | 115 | 41% | 0.411 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.6 | -33.4 | 174.1 | -68.8 | 162 | 120.8 | 0 | 0 | 111.7 | L96 T97 I104 | L96-E100 HydrophobicContact CD2-CB 3.76Å; L96-E100 HydrophobicContact CG-CB 3.7Å; T97-E100 VanDerWaalsContact CB-OE2 3.27Å; T97-E100 WeakPolarHBondContact CB-OE2 3.37Å; T97-E100 WeakPolarHBondContact CG2-OE2 3.38Å; T97-E100 PolarHBondContact N-OE2 3.37Å; T97-E100 PolarHBondContact O-N 3.35Å; T97-E100 WeakPolarHBondContact OG1-CG 3.29Å; T97-E100 PolarHBondContact OG1-N 2.75Å; T97-E100 PolarHBondContact OG1-OE2 3.38Å; E100-I104 VanDerWaalsContact O-CG1 3.31Å; E100-I104 WeakPolarHBondContact O-CG1 3.41Å; E100-I104 PolarHBondContact O-N 3.27Å; E100-I104 VanDerWaalsContact O-N 3.08Å |
| 101 | F | 91.1 | Very high | 81.5 | Confident | 120 Ų | 120 | 118.4 Ų | 118.4 | 53% | 0.526 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66 | -47.8 | 173.5 | 179 | -93.9 | 0 | 0 | 0 | 111.7 | L96 T97 A99 E103 I104 F105 | L96-F101 HydrophobicContact CD2-CB 4.4Å; T97-F101 PolarHBondContact O-N 3.37Å; A99-F101 VanDerWaalsContact C-N 3.28Å; A99-F101 PolarHBondContact O-N 3.36Å; F101-E103 VanDerWaalsContact C-N 3.34Å; F101-E103 PolarHBondContact O-N 2.81Å; F101-I104 PolarHBondContact O-N 3.41Å; F101-F105 WeakPolarHBondContact O-CB 3.5Å; F101-F105 PolarHBondContact O-N 2.8Å |
| 102 | E | 89.7 | Confident | 83.2 | Confident | 83 Ų | 83 | 111.5 Ų | 111.5 | 39% | 0.388 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.3 | -39.4 | 176.8 | -172.5 | 59 | -144.9 | 0 | 0 | 111.5 | N98 A99 I104 F105 Q106 | N98-E102 PolarHBondContact O-N 3.21Å; N98-E102 VanDerWaalsContact O-N 3.07Å; A99-E102 PolarHBondContact O-N 2.74Å; E102-I104 PolarHBondContact O-N 3.36Å; E102-F105 PolarHBondContact O-N 3.37Å; E102-Q106 HydrophobicContact CG-CG 4.32Å; E102-Q106 WeakPolarHBondContact O-CB 3.42Å; E102-Q106 VanDerWaalsContact O-CG 3.25Å; E102-Q106 WeakPolarHBondContact O-CG 3.39Å; E102-Q106 PolarHBondContact O-N 3.3Å; E102-Q106 WeakPolarHBondContact OE1-CG 3.36Å; E102-Q106 PolarHBondContact OE1-NE2 2.93Å |
| 103 | E | 92.6 | Very high | 85.2 | Confident | 124 Ų | 124 | 107.5 Ų | 107.5 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60 | -46.2 | 174.7 | -173.8 | 177.7 | -177 | 0 | 0 | 111.6 | A99 F101 F105 Q106 I107 | A99-E103 WeakPolarHBondContact O-CB 3.49Å; A99-E103 PolarHBondContact O-N 2.69Å; F101-E103 VanDerWaalsContact C-N 3.34Å; F101-E103 PolarHBondContact O-N 2.81Å; E103-F105 PolarHBondContact O-N 2.92Å; E103-Q106 PolarHBondContact O-N 2.77Å; E103-I107 HydrophobicContact CG-CD1 3.96Å; E103-I107 WeakPolarHBondContact O-CB 3.34Å; E103-I107 WeakPolarHBondContact O-CD1 3.34Å; E103-I107 VanDerWaalsContact O-CG1 3.22Å; E103-I107 WeakPolarHBondContact O-CG1 3.39Å; E103-I107 PolarHBondContact O-N 3.45Å |
| 104 | I | 93.9 | Very high | 86.5 | Confident | 93 Ų | 93 | 103.7 Ų | 103.7 | 48% | 0.477 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 174.6 | -70.7 | 173.3 | 0 | 0 | 0 | 111 | L96 E100 F101 E102 Q106 I107 V108 | L96-I104 HydrophobicContact CD2-CD1 3.69Å; E100-I104 VanDerWaalsContact O-CG1 3.31Å; E100-I104 WeakPolarHBondContact O-CG1 3.41Å; E100-I104 PolarHBondContact O-N 3.27Å; E100-I104 VanDerWaalsContact O-N 3.08Å; F101-I104 PolarHBondContact O-N 3.41Å; E102-I104 PolarHBondContact O-N 3.36Å; I104-Q106 PolarHBondContact O-N 3.22Å; I104-I107 PolarHBondContact O-N 3.27Å; I104-V108 WeakPolarHBondContact O-CG2 3.13Å; I104-V108 PolarHBondContact O-N 3.04Å |
| 105 | F | 88.9 | Confident | 87.2 | Confident | 98 Ų | 98 | 100.3 Ų | 100.3 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 178.8 | -174.2 | -115.1 | 0 | 0 | 0 | 111.6 | F101 E102 E103 I107 V108 L109 | F101-F105 WeakPolarHBondContact O-CB 3.5Å; F101-F105 PolarHBondContact O-N 2.8Å; E102-F105 PolarHBondContact O-N 3.37Å; E103-F105 PolarHBondContact O-N 2.92Å; F105-I107 VanDerWaalsContact C-N 3.29Å; F105-I107 PolarHBondContact O-N 3.11Å; F105-V108 PolarHBondContact O-N 3.27Å; F105-L109 HydrophobicContact CD1-CD1 3.96Å; F105-L109 HydrophobicContact CE1-CD1 3.62Å; F105-L109 HydrophobicContact CE1-CG 4.42Å; F105-L109 HydrophobicContact CZ-CD1 3.99Å; F105-L109 HydrophobicContact CZ-CG 4.4Å; F105-L109 WeakPolarHBondContact O-CG 3.28Å; F105-L109 PolarHBondContact O-N 3.42Å |
| 106 | Q | 89.1 | Confident | 87.5 | Confident | 77 Ų | 77 | 102.1 Ų | 102.1 | 36% | 0.36 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.7 | -24.8 | 176.2 | -66.4 | -63.6 | -22.6 | 0 | 0 | 113.4 | E102 E103 I104 R110 | E102-Q106 HydrophobicContact CG-CG 4.32Å; E102-Q106 WeakPolarHBondContact O-CB 3.42Å; E102-Q106 VanDerWaalsContact O-CG 3.25Å; E102-Q106 WeakPolarHBondContact O-CG 3.39Å; E102-Q106 PolarHBondContact O-N 3.3Å; E102-Q106 WeakPolarHBondContact OE1-CG 3.36Å; E102-Q106 PolarHBondContact OE1-NE2 2.93Å; E103-Q106 PolarHBondContact O-N 2.77Å; I104-Q106 PolarHBondContact O-N 3.22Å; Q106-R110 PolarHBondContact O-N 3.34Å; Q106-R110 PolarHBondContact O-NE 3.22Å; Q106-R110 PolarHBondContact O-NH2 2.76Å |
| 107 | I | 93.8 | Very high | 87.3 | Confident | 66 Ų | 66 | 102 Ų | 102 | 34% | 0.338 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -74.6 | -41.6 | 171.3 | -73.2 | 165.1 | 0 | 0 | 0 | 110.7 | E103 I104 F105 K111 | E103-I107 HydrophobicContact CG-CD1 3.96Å; E103-I107 WeakPolarHBondContact O-CB 3.34Å; E103-I107 WeakPolarHBondContact O-CD1 3.34Å; E103-I107 VanDerWaalsContact O-CG1 3.22Å; E103-I107 WeakPolarHBondContact O-CG1 3.39Å; E103-I107 PolarHBondContact O-N 3.45Å; I104-I107 PolarHBondContact O-N 3.27Å; F105-I107 VanDerWaalsContact C-N 3.29Å; F105-I107 PolarHBondContact O-N 3.11Å; I107-K111 HydrophobicContact CG2-CD 4.41Å; I107-K111 WeakPolarHBondContact O-CG 3.42Å; I107-K111 PolarHBondContact O-N 2.87Å; I107-K111 VanDerWaalsContact O-N 3.09Å |
| 108 | V | 93.2 | Very high | 86.5 | Confident | 80 Ų | 80 | 104.2 Ų | 104.2 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -50.8 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | I104 F105 R110 K111 S112 | I104-V108 WeakPolarHBondContact O-CG2 3.13Å; I104-V108 PolarHBondContact O-N 3.04Å; F105-V108 PolarHBondContact O-N 3.27Å; V108-R110 PolarHBondContact O-N 2.79Å; V108-K111 PolarHBondContact O-N 2.85Å; V108-S112 PolarHBondContact O-N 3.31Å; V108-S112 PolarHBondContact O-OG 3.3Å |
| 109 | L | 89.5 | Confident | 85.4 | Confident | 70 Ų | 70 | 102.6 Ų | 102.6 | 37% | 0.366 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.7 | -45.8 | 178.6 | -71.9 | 175 | 0 | 0 | 0 | 112.8 | F105 K111 S112 L113 | F105-L109 HydrophobicContact CD1-CD1 3.96Å; F105-L109 HydrophobicContact CE1-CD1 3.62Å; F105-L109 HydrophobicContact CE1-CG 4.42Å; F105-L109 HydrophobicContact CZ-CD1 3.99Å; F105-L109 HydrophobicContact CZ-CG 4.4Å; F105-L109 WeakPolarHBondContact O-CG 3.28Å; F105-L109 PolarHBondContact O-N 3.42Å; L109-K111 VanDerWaalsContact C-N 3.34Å; L109-K111 PolarHBondContact O-N 3Å; L109-S112 PolarHBondContact O-N 3.32Å; L109-L113 WeakPolarHBondContact O-CG 3.5Å; L109-L113 PolarHBondContact O-N 3.48Å |
| 110 | R | 89.8 | Confident | 83.6 | Confident | 151 Ų | 151 | 102.4 Ų | 102.4 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65 | -35.1 | 177 | -85.5 | 175 | -72.4 | 160.5 | -3.6 | 113 | Q106 V108 Q114 | Q106-R110 PolarHBondContact O-N 3.34Å; Q106-R110 PolarHBondContact O-NE 3.22Å; Q106-R110 PolarHBondContact O-NH2 2.76Å; V108-R110 PolarHBondContact O-N 2.79Å; R110-Q114 WeakPolarHBondContact O-CB 3.5Å; R110-Q114 PolarHBondContact O-N 2.9Å |
| 111 | K | 88.4 | Confident | 81.5 | Confident | 140 Ų | 140 | 103 Ų | 103 | 61% | 0.609 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.7 | -44.6 | 175.2 | -77 | -176.5 | 174.3 | -170.8 | 0 | 112.1 | I107 V108 L109 L113 Q114 E115 | I107-K111 HydrophobicContact CG2-CD 4.41Å; I107-K111 WeakPolarHBondContact O-CG 3.42Å; I107-K111 PolarHBondContact O-N 2.87Å; I107-K111 VanDerWaalsContact O-N 3.09Å; V108-K111 PolarHBondContact O-N 2.85Å; L109-K111 VanDerWaalsContact C-N 3.34Å; L109-K111 PolarHBondContact O-N 3Å; K111-L113 VanDerWaalsContact C-N 3.29Å; K111-L113 PolarHBondContact O-N 3.44Å; K111-Q114 WeakPolarHBondContact O-CB 3.26Å; K111-Q114 PolarHBondContact O-N 3.11Å; K111-E115 WeakPolarHBondContact O-CB 3.39Å; K111-E115 PolarHBondContact O-N 3.03Å |
| 112 | S | 84.7 | Confident | 79.3 | Confident | 64 Ų | 64 | 103 Ų | 103 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -36.9 | 176 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | V108 L109 Y116 | V108-S112 PolarHBondContact O-N 3.31Å; V108-S112 PolarHBondContact O-OG 3.3Å; L109-S112 PolarHBondContact O-N 3.32Å; S112-Y116 VanDerWaalsContact O-CB 3.31Å; S112-Y116 WeakPolarHBondContact O-CB 3.49Å; S112-Y116 PolarHBondContact O-N 2.91Å |
| 113 | L | 85.6 | Confident | 76.7 | Confident | 107 Ų | 107 | 107.3 Ų | 107.3 | 56% | 0.56 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.7 | -40.3 | 172.7 | -79 | 164 | 0 | 0 | 0 | 112.8 | L109 K111 L117 | L109-L113 WeakPolarHBondContact O-CG 3.5Å; L109-L113 PolarHBondContact O-N 3.48Å; K111-L113 VanDerWaalsContact C-N 3.29Å; K111-L113 PolarHBondContact O-N 3.44Å; L113-L117 WeakPolarHBondContact O-CB 3.43Å; L113-L117 VanDerWaalsContact O-CG 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.45Å; L113-L117 PolarHBondContact O-N 3.11Å |
| 114 | Q | 82.7 | Confident | 74 | Confident | 106 Ų | 106 | 107.3 Ų | 107.3 | 50% | 0.495 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.4 | -47.1 | 174.6 | -174.9 | 70.8 | 27.1 | 0 | 0 | 111.1 | R110 K111 L117 E118 | R110-Q114 WeakPolarHBondContact O-CB 3.5Å; R110-Q114 PolarHBondContact O-N 2.9Å; K111-Q114 WeakPolarHBondContact O-CB 3.26Å; K111-Q114 PolarHBondContact O-N 3.11Å; Q114-L117 PolarHBondContact O-N 2.97Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.01Å; Q114-E118 PolarHBondContact NE2-OE1 2.88Å; Q114-E118 WeakPolarHBondContact O-CB 3.4Å; Q114-E118 WeakPolarHBondContact O-CG 3.48Å; Q114-E118 PolarHBondContact O-N 3.05Å |
| 115 | E | 77.8 | Confident | 71 | Confident | 131 Ų | 131 | 110.5 Ų | 110.5 | 61% | 0.612 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.3 | -38.4 | 179.9 | -172.1 | 167.2 | -156.2 | 0 | 0 | 112.2 | K111 T119 | K111-E115 WeakPolarHBondContact O-CB 3.39Å; K111-E115 PolarHBondContact O-N 3.03Å; E115-T119 WeakPolarHBondContact O-CB 3.41Å; E115-T119 WeakPolarHBondContact O-CG2 3.33Å; E115-T119 PolarHBondContact O-N 3.27Å; E115-T119 PolarHBondContact O-OG1 3.5Å |
| 116 | Y | 75.8 | Confident | 68.6 | Low | 163 Ų | 163 | 112.4 Ų | 112.4 | 64% | 0.639 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.1 | -42.1 | 171.1 | -179.9 | -95.6 | 0 | 0 | 0 | 112.5 | S112 T119 S120 | S112-Y116 VanDerWaalsContact O-CB 3.31Å; S112-Y116 WeakPolarHBondContact O-CB 3.49Å; S112-Y116 PolarHBondContact O-N 2.91Å; Y116-T119 WeakPolarHBondContact CA-OG1 3.47Å; Y116-T119 PolarHBondContact O-OG1 3.25Å; Y116-T119 VanDerWaalsContact O-OG1 3.06Å; Y116-S120 WeakPolarHBondContact O-CB 3.3Å; Y116-S120 PolarHBondContact O-N 3.24Å; Y116-S120 PolarHBondContact O-OG 2.9Å |
| 117 | L | 75.6 | Confident | 65.9 | Low | 94 Ų | 94 | 114.3 Ų | 114.3 | 49% | 0.492 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.5 | -43.9 | 177.5 | -72.7 | 169.3 | 0 | 0 | 0 | 111.6 | L113 Q114 T119 S120 C121 | L113-L117 WeakPolarHBondContact O-CB 3.43Å; L113-L117 VanDerWaalsContact O-CG 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.45Å; L113-L117 PolarHBondContact O-N 3.11Å; Q114-L117 PolarHBondContact O-N 2.97Å; L117-T119 VanDerWaalsContact C-N 3.33Å; L117-T119 PolarHBondContact O-N 3.25Å; L117-S120 PolarHBondContact O-N 2.77Å; L117-S120 PolarHBondContact O-OG 2.77Å; L117-C121 PolarHBondContact O-N 2.82Å; L117-C121 PolarHBondContact O-SG 2.85Å |
| 118 | E | 72.6 | Confident | 62.8 | Low | 122 Ų | 122 | 117.4 Ų | 117.4 | 57% | 0.57 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.3 | -37.3 | 177.3 | -75.1 | 176 | -169.3 | 0 | 0 | 112.5 | Q114 | Q114-E118 WeakPolarHBondContact CG-OE1 3.01Å; Q114-E118 PolarHBondContact NE2-OE1 2.88Å; Q114-E118 WeakPolarHBondContact O-CB 3.4Å; Q114-E118 WeakPolarHBondContact O-CG 3.48Å; Q114-E118 PolarHBondContact O-N 3.05Å |
| 119 | T | 59.4 | Low | 59.8 | Low | 105 Ų | 105 | 122.5 Ų | 122.5 | 64% | 0.644 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.9 | -29.7 | 173.4 | 47.8 | 0 | 0 | 0 | 0 | 113.5 | E115 Y116 L117 | E115-T119 WeakPolarHBondContact O-CB 3.41Å; E115-T119 WeakPolarHBondContact O-CG2 3.33Å; E115-T119 PolarHBondContact O-N 3.27Å; E115-T119 PolarHBondContact O-OG1 3.5Å; Y116-T119 WeakPolarHBondContact CA-OG1 3.47Å; Y116-T119 PolarHBondContact O-OG1 3.25Å; Y116-T119 VanDerWaalsContact O-OG1 3.06Å; L117-T119 VanDerWaalsContact C-N 3.33Å; L117-T119 PolarHBondContact O-N 3.25Å |
| 120 | S | 51.1 | Low | 57 | Low | 69 Ų | 69 | 124.5 Ų | 124.5 | 48% | 0.483 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -73.2 | -25.1 | 178.5 | 76.1 | 0 | 0 | 0 | 0 | 114.7 | Y116 L117 V122 | Y116-S120 WeakPolarHBondContact O-CB 3.3Å; Y116-S120 PolarHBondContact O-N 3.24Å; Y116-S120 PolarHBondContact O-OG 2.9Å; L117-S120 PolarHBondContact O-N 2.77Å; L117-S120 PolarHBondContact O-OG 2.77Å; S120-V122 VanDerWaalsContact C-N 3.26Å; S120-V122 PolarHBondContact O-N 2.83Å; S120-V122 VanDerWaalsContact O-N 3.13Å |
| 121 | C | 45.6 | Very low | 54.1 | Low | 100 Ų | 100 | 125 Ų | 125 | 68% | 0.676 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 11.3 | -167.9 | -75.8 | 0 | 0 | 0 | 0 | 116 | L117 | L117-C121 PolarHBondContact O-N 2.82Å; L117-C121 PolarHBondContact O-SG 2.85Å |
| 122 | V | 46 | Very low | 51.6 | Low | 120 Ų | 120 | 127.9 Ų | 127.9 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -110.8 | 57.6 | -176.1 | -163.3 | 0 | 0 | 0 | 0 | 112.6 | S120 | S120-V122 VanDerWaalsContact C-N 3.26Å; S120-V122 PolarHBondContact O-N 2.83Å; S120-V122 VanDerWaalsContact O-N 3.13Å | ||
| 123 | Q | 35.7 | Very low | 49.1 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | trans | -139 | 123.4 | 154 | -72.3 | -157.6 | 19.7 | 0 | 0 | 111.3 | I125 | Q123-I125 PolarHBondContact O-N 3.09Š| ||
| 124 | P | 34.7 | Very low | 46.7 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 81% | 0.805 | 72% | 0.715 | S | S | * | * | trans | -70.6 | 114.4 | 171.4 | -15.7 | 30.4 | 0 | 0 | 0 | 110.7 | I126 | P124-I126 PolarHBondContact O-N 2.84Å; P124-I126 VanDerWaalsContact O-N 3.08Å | ||
| 125 | I | 32.2 | Very low | 44 | Very low | 159 Ų | 159 | 133 Ų | 133 | 82% | 0.815 | 73% | 0.73 | S | S | * | * | trans | -71.3 | 104.5 | 173.8 | -59.5 | 176.1 | 0 | 0 | 0 | 108.8 | Q123 P127 | Q123-I125 PolarHBondContact O-N 3.09Å; I125-P127 WeakPolarHBondContact O-CD 3.29Å | ||
| 126 | I | 38.1 | Very low | 41.8 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | -77.5 | 122.2 | 167.6 | -60.5 | 177.1 | 0 | 0 | 0 | 107.9 | P124 T128 | P124-I126 PolarHBondContact O-N 2.84Å; P124-I126 VanDerWaalsContact O-N 3.08Å; I126-T128 PolarHBondContact O-N 2.92Å | ||
| 127 | P | 31.2 | Very low | 39.5 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | -74.8 | 90.6 | 176.6 | -15.3 | 31.6 | 0 | 0 | 0 | 111 | I125 K129 | I125-P127 WeakPolarHBondContact O-CD 3.29Å; P127-K129 PolarHBondContact O-N 3.25Å | ||
| 128 | T | 28.4 | Very low | 37.3 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -63.5 | 121.5 | 172.1 | -48.4 | 0 | 0 | 0 | 0 | 109.6 | I126 | I126-T128 PolarHBondContact O-N 2.92Š| ||
| 129 | K | 30.9 | Very low | 36.3 | Very low | 187 Ų | 187 | 131.8 Ų | 131.8 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -67.3 | 144.1 | 173.5 | -71.5 | -171.9 | 176.1 | -175.8 | 0 | 110.3 | P127 D131 | P127-K129 PolarHBondContact O-N 3.25Å; K129-D131 PolarHBondContact O-N 2.78Å | ||
| 130 | S | 30.8 | Very low | 34.9 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -81.5 | 105.6 | 175.3 | 58.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 131 | D | 29.8 | Very low | 33.9 | Very low | 162 Ų | 162 | 133 Ų | 133 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 138.7 | 162.4 | -73.4 | -46.1 | 0 | 0 | 0 | 110.2 | K129 | K129-D131 PolarHBondContact O-N 2.78Š|
| 132 | K | 34.8 | Very low | 33.3 | Very low | 201 Ų | 201 | 134 Ų | 134 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 147.3 | 171.9 | -82.3 | -173.5 | 174.8 | -178.9 | 0 | 110.5 | ||
| 133 | E | 32.6 | Very low | 32.8 | Very low | 186 Ų | 186 | 135 Ų | 135 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 141.5 | -179 | -170.8 | -178.7 | 163.6 | 0 | 0 | 113.5 | G135 | E133-G135 PolarHBondContact O-N 2.83Š|
| 134 | P | 34.3 | Very low | 32.8 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -80.8 | 111 | -179.8 | 31.2 | -33.9 | 0 | 0 | 0 | 112.8 | ||||
| 135 | G | 26.8 | Very low | 32.8 | Very low | 79 Ų | 79 | 134.6 Ų | 134.6 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | trans | -76 | 153.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E133 | E133-G135 PolarHBondContact O-N 2.83Š| ||
| 136 | I | 31.6 | Very low | 33 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -93.3 | 134.7 | -174.7 | -64.7 | 173.7 | 0 | 0 | 0 | 112.1 | ||||
| 137 | A | 26.5 | Very low | 32.8 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | trans | 64.9 | 105.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 138 | S | 30.3 | Very low | 32.7 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | 55.1 | 150.9 | 115.8 | -58.9 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 139 | P | 52.4 | Low | 32.9 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | cis | -139.7 | -176.2 | -23.6 | 39.9 | -22.4 | 0 | 0 | 0 | 114.9 | ||||
| 140 | A | 28.8 | Very low | 32.8 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | trans | 114.3 | 129 | 145.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 141 | T | 31.6 | Very low | 32.8 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | 56.5 | 144.8 | 151.6 | 58 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 142 | D | 31.7 | Very low | 33.1 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | cis | -167.9 | 141.2 | -13.4 | -103.1 | -11.8 | 0 | 0 | 0 | 107.4 | ||||
| 143 | N | 35.4 | Very low | 32.8 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | 58.7 | 172.1 | 155.6 | -54.6 | -26.1 | 0 | 0 | 0 | 117.9 | ||||
| 144 | E | 37.1 | Very low | 32.6 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | cis | -157.5 | 156.2 | -46.6 | -106.1 | -157.9 | 177.8 | 0 | 0 | 107.1 | ||||
| 145 | N | 34.3 | Very low | 32.4 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | trans | 64.3 | 163.3 | 157.7 | -57.3 | -32.3 | 0 | 0 | 0 | 118.1 | ||||
| 146 | A | 35.5 | Very low | 32.5 | Very low | 75 Ų | 75 | 131 Ų | 131 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | cis | -165.9 | 160.5 | -33.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 147 | D | 33.3 | Very low | 32.3 | Very low | 163 Ų | 163 | 128.7 Ų | 128.7 | 87% | 0.872 | 74% | 0.74 | S | S | * | * | trans | 52 | 160.1 | 151.4 | -62.5 | -32.9 | 0 | 0 | 0 | 123.2 | ||||
| 148 | G | 29.3 | Very low | 33.5 | Very low | 67 Ų | 67 | 130.4 Ų | 130.4 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | trans | 114 | 72.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 149 | I | 32.9 | Very low | 33.3 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | 74.5 | 108.8 | 72.9 | -66.9 | -179.4 | 0 | 0 | 0 | 115.5 | |||||
| 150 | N | 29.3 | Very low | 32.1 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | trans | 68.4 | 113 | 141.5 | -71.3 | 3.7 | 0 | 0 | 0 | 123.8 | ||||
| 151 | S | 31.6 | Very low | 32.1 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | 109.4 | 151.8 | 102.2 | -77.3 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 152 | R | 34.3 | Very low | 32 | Very low | 201 Ų | 201 | 136.7 Ų | 136.7 | 76% | 0.758 | 73% | 0.732 | S | S | * | * | trans | 79.6 | 114.3 | 158.1 | -117.9 | 164 | 175.9 | -128.1 | -23.9 | 116.4 | ||||
| 153 | E | 28.7 | Very low | 31.9 | Very low | 144 Ų | 144 | 138 Ų | 138 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | 66.8 | 98.8 | 54.6 | 175.7 | -154.6 | -120.7 | 0 | 0 | 112.5 | |||||
| 154 | E | 28.8 | Very low | 31.5 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | -157.4 | 166.7 | 125.6 | -130.1 | 167.9 | -179.4 | 0 | 0 | 111.3 | |||||
| 155 | V | 30.5 | Very low | 31 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | trans | -129.1 | 139.8 | -174.7 | 171.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 156 | I | 28.2 | Very low | 30.8 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | -161.8 | 154.1 | 156.1 | -102.6 | 144.3 | 0 | 0 | 0 | 109.3 | ||||
| 157 | V | 28.4 | Very low | 30.6 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | trans | -126.4 | -177.1 | -178.4 | -141.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 158 | P | 52.1 | Low | 30.5 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | -97.5 | 175.8 | -120.9 | 42 | -29.2 | 0 | 0 | 0 | 114.9 | |||||
| 159 | D | 25.2 | Very low | 30.5 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | -158.9 | 151.5 | 129.4 | -138.7 | -4.8 | 0 | 0 | 0 | 117.2 | |||||
| 160 | T | 27.8 | Very low | 30.3 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | trans | 37.5 | 140 | 150.6 | 43.5 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 161 | R | 28.1 | Very low | 30.2 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | 92 | 121.3 | 132.5 | -79.8 | -171.1 | 160.2 | 126.8 | 9.2 | 120.9 | ||||
| 162 | E | 28.9 | Very low | 30 | Very low | 137 Ų | 137 | 145 Ų | 145 | 64% | 0.64 | 77% | 0.766 | S | S | * | * | 73.6 | 135.8 | 77.8 | -71.3 | 172.8 | -144.1 | 0 | 0 | 112.4 | |||||
| 163 | I | 29.7 | Very low | 29.7 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | cis | -159.4 | 145.1 | -2.1 | -105.7 | 158.4 | 0 | 0 | 0 | 108 | ||||
| 164 | A | 27 | Very low | 29.7 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -177.1 | 118.5 | 150.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 165 | S | 26.4 | Very low | 29.7 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -158.5 | 148.1 | 140.2 | -169.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 166 | S | 31.1 | Very low | 29.6 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -138.6 | 171.2 | -162.3 | -55.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 167 | L | 31.1 | Very low | 29.4 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 90.2 | 85.2 | 168.3 | -127.5 | 74.1 | 0 | 0 | 0 | 117.8 | ||||
| 168 | E | 31.6 | Very low | 29.3 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | 13.1 | 144.4 | 106.7 | 30.6 | -163.1 | 152.9 | 0 | 0 | 116.7 | |||||
| 169 | E | 28.8 | Very low | 28.4 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | cis | -152.8 | 160.6 | 47.5 | -164.9 | 174.9 | 160.1 | 0 | 0 | 114.8 | ||||
| 170 | E | 28.9 | Very low | 28.8 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -57.9 | 160.2 | 177.7 | 178.1 | -179.6 | 165.2 | 0 | 0 | 117.7 | ||||
| 171 | V | 27.1 | Very low | 28.6 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 90% | 0.903 | 78% | 0.779 | S | S | * | * | trans | -175.9 | 158.7 | 139.9 | 142.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 172 | D | 27.5 | Very low | 28.6 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -116.1 | 159.1 | -144.7 | -164 | 13.4 | 0 | 0 | 0 | 117.7 | ||||
| 173 | S | 28.6 | Very low | 28.4 | Very low | 88 Ų | 88 | 144.8 Ų | 144.8 | 62% | 0.615 | 80% | 0.798 | S | S | * | * | trans | 46.3 | 119.4 | 147.7 | -75.2 | 0 | 0 | 0 | 0 | 126 | ||||
| 174 | E | 28 | Very low | 28.2 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | 75.7 | 166.7 | 122.1 | -144 | -176.8 | -158.2 | 0 | 0 | 122.1 | |||||
| 175 | I | 28.7 | Very low | 28.2 | Very low | 138 Ų | 138 | 142 Ų | 142 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | trans | 93.4 | 85 | 161.4 | -47.6 | -174.1 | 0 | 0 | 0 | 119.1 | ||||
| 176 | R | 27.6 | Very low | 28.3 | Very low | 218 Ų | 218 | 145.4 Ų | 145.4 | 82% | 0.823 | 80% | 0.799 | S | S | * | * | 55.5 | 106.7 | 113.3 | -153.2 | -176.5 | -168.9 | -172.3 | 5.8 | 120.9 | |||||
| 177 | T | 23.8 | Very low | 28.8 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | trans | 73.2 | 139.5 | 142.3 | 59.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 178 | S | 27.4 | Very low | 28.9 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 101 | 128.4 | 147.8 | -52.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 179 | K | 32.4 | Very low | 29.1 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -72.2 | 175.2 | 154.3 | -57.4 | 179.5 | 177.3 | 179.8 | 0 | 109.1 | ||||
| 180 | P | 34.4 | Very low | 29.4 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | cis | -147.8 | 156.8 | 13.9 | 41 | -20.4 | 0 | 0 | 0 | 119.7 | ||||
| 181 | G | 23.3 | Very low | 29.6 | Very low | 78 Ų | 78 | 143.6 Ų | 143.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 65.1 | -174.4 | 147.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 182 | Q | 28.2 | Very low | 29.7 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | cis | -167.2 | 137.2 | -33.1 | -175.5 | 178.9 | 34.3 | 0 | 0 | 109.4 | ||||
| 183 | L | 24.2 | Very low | 29.7 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | -150.2 | 157.5 | 169.1 | -70.4 | 178 | 0 | 0 | 0 | 109.3 | ||||
| 184 | A | 26.3 | Very low | 29.7 | Very low | 88 Ų | 88 | 148.7 Ų | 148.7 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | cis | -176.1 | 162.8 | -24.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 185 | A | 27.5 | Very low | 29.6 | Very low | 100 Ų | 100 | 148.3 Ų | 148.3 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | cis | -172.2 | 138.6 | -33 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 186 | E | 27.4 | Very low | 29.4 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | trans | -117.9 | 140 | -177.5 | -153.4 | -171.7 | -129.4 | 0 | 0 | 113.9 | ||||
| 187 | P | 42.7 | Very low | 29.4 | Very low | 109 Ų | 109 | 145 Ų | 145 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | trans | -105 | 152.2 | 172.5 | 37 | -30.3 | 0 | 0 | 0 | 113.1 | ||||
| 188 | S | 31.9 | Very low | 29.8 | Very low | 88 Ų | 88 | 143.1 Ų | 143.1 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | cis | -168.7 | 166.2 | 2.8 | 64.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 189 | K | 36.7 | Very low | 30 | Very low | 180 Ų | 180 | 146 Ų | 146 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | 48.8 | 134.2 | 143.6 | -64.8 | 157.9 | -170.5 | 167.4 | 0 | 118.9 | ||||
| 190 | K | 34.6 | Very low | 30 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | cis | -171 | 137.6 | 8.3 | -124.4 | 178.9 | -178.5 | 177.2 | 0 | 110.8 | ||||
| 191 | K | 33.5 | Very low | 29.9 | Very low | 190 Ų | 190 | 150.7 Ų | 150.7 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | 60.2 | 149.4 | 149.2 | -72 | -168.7 | 174.3 | -168 | 0 | 120 | ||||
| 192 | S | 28.4 | Very low | 30.3 | Very low | 86 Ų | 86 | 156.2 Ų | 156.2 | 60% | 0.601 | 79% | 0.79 | S | S | * | * | cis | -173.8 | 141.2 | -18.6 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 193 | N | 27.5 | Very low | 30.2 | Very low | 159 Ų | 159 | 156.2 Ų | 156.2 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | 62.2 | 151.4 | 152.6 | -60.8 | -4.6 | 0 | 0 | 0 | 118.9 | ||||
| 194 | R | 29.3 | Very low | 30.6 | Very low | 230 Ų | 230 | 151.9 Ų | 151.9 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | cis | -166.1 | 118.1 | -25.3 | 171.2 | -179.2 | 179.1 | 178.3 | 0.6 | 106.5 | ||||
| 195 | L | 25.6 | Very low | 30.7 | Very low | 174 Ų | 174 | 154.6 Ų | 154.6 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | trans | -140.3 | 152.3 | 170.1 | -78.8 | 176.2 | 0 | 0 | 0 | 110.3 | ||||
| 196 | S | 25.3 | Very low | 30.7 | Very low | 117 Ų | 117 | 156.8 Ų | 156.8 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -137.9 | 108.3 | 169.7 | 54.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 197 | L | 27.6 | Very low | 30.7 | Very low | 171 Ų | 171 | 155.4 Ų | 155.4 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | trans | -119.8 | 166.7 | 171.3 | -101.6 | 174.1 | 0 | 0 | 0 | 110.9 | ||||
| 198 | S | 31.6 | Very low | 30 | Very low | 78 Ų | 78 | 158.8 Ų | 158.8 | 55% | 0.545 | 76% | 0.763 | S | S | . | * | trans | -98 | 166.5 | -153.8 | 70.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 199 | K | 31.8 | Very low | 29.7 | Very low | 179 Ų | 179 | 161.5 Ų | 161.5 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | trans | 76.7 | 124.9 | 144.4 | -73.3 | 165.1 | -177.4 | 170.3 | 0 | 120.6 | ||||
| 200 | R | 32.8 | Very low | 29.4 | Very low | 211 Ų | 211 | 161.2 Ų | 161.2 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | 61.6 | 144.8 | 128.8 | -77.8 | -172.4 | 173.2 | -171 | -1.1 | 119.8 | |||||
| 201 | R | 31.8 | Very low | 29.1 | Very low | 203 Ų | 203 | 161.3 Ų | 161.3 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | cis | -167.6 | 149.1 | -13.1 | -142.3 | -176.6 | -177 | -171.8 | -0.2 | 109.9 | ||||
| 202 | K | 32.1 | Very low | 29 | Very low | 195 Ų | 195 | 160.3 Ų | 160.3 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | 56.9 | 111.5 | 145 | -166.4 | 177.4 | -172.4 | -177.1 | 0 | 120.7 | ||||
| 203 | K | 25.6 | Very low | 29.2 | Very low | 187 Ų | 187 | 164.8 Ų | 164.8 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | -143.1 | 173.9 | 128 | -167 | 165.2 | -179.4 | -152.7 | 0 | 109.3 | |||||
| 204 | S | 31.7 | Very low | 29.2 | Very low | 78 Ų | 78 | 165.2 Ų | 165.2 | 55% | 0.545 | 79% | 0.788 | S | S | . | * | trans | -116.2 | -178.9 | -161.7 | 44.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 205 | E | 28.6 | Very low | 29.1 | Very low | 145 Ų | 145 | 157.2 Ų | 157.2 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | 71.7 | 144.3 | 168.3 | -55.8 | 137.2 | 125.6 | 0 | 0 | 115.1 | ||||
| 206 | D | 27.8 | Very low | 29.4 | Very low | 147 Ų | 147 | 159 Ų | 159 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | cis | -158.3 | -178.2 | -43.2 | -114.5 | -66.8 | 0 | 0 | 0 | 106.7 | ||||
| 207 | E | 28.5 | Very low | 29.4 | Very low | 164 Ų | 164 | 162.5 Ų | 162.5 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | cis | -140.5 | -178.6 | 16.5 | -50.5 | 170.6 | 18.1 | 0 | 0 | 112.6 | ||||
| 208 | K | 26.8 | Very low | 29.6 | Very low | 181 Ų | 181 | 160.3 Ų | 160.3 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | trans | 60.4 | 111.4 | 137.3 | -168.5 | 173 | -173.1 | 170.8 | 0 | 120.8 | ||||
| 209 | M | 26.7 | Very low | 29.6 | Very low | 144 Ų | 144 | 164.1 Ų | 164.1 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | -171.5 | 133.4 | 101.1 | -175.1 | 159.1 | 176.4 | 0 | 0 | 113.2 | |||||
| 210 | E | 29.5 | Very low | 29.8 | Very low | 174 Ų | 174 | 163.3 Ų | 163.3 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 54 | 142.4 | 161.4 | -75.4 | 174.3 | -173.4 | 0 | 0 | 122.5 | ||||
| 211 | E | 28 | Very low | 29.7 | Very low | 175 Ų | 175 | 163.5 Ų | 163.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -135.6 | 137.9 | 179.5 | 176.4 | 178.3 | -175.4 | 0 | 0 | 107.2 | ||||
| 212 | I | 31.9 | Very low | 29.6 | Very low | 169 Ų | 169 | 160.6 Ų | 160.6 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -110.5 | 124.7 | 175.5 | -64.7 | 177.9 | 0 | 0 | 0 | 108.1 | ||||
| 213 | Q | 32.9 | Very low | 29.5 | Very low | 180 Ų | 180 | 160.9 Ų | 160.9 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -85.7 | 133.8 | 179.7 | -61.9 | 176.1 | -53.3 | 0 | 0 | 111.4 | ||||
| 214 | D | 26.9 | Very low | 29.8 | Very low | 167 Ų | 167 | 160.6 Ų | 160.6 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -160.6 | 133.4 | 158 | -157.9 | 35 | 0 | 0 | 0 | 107.6 | ||||
| 215 | G | 27.8 | Very low | 29.8 | Very low | 63 Ų | 63 | 164.8 Ų | 164.8 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | cis | 166.7 | 52 | 0.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 216 | Y | 32 | Very low | 29.7 | Very low | 212 Ų | 212 | 165.1 Ų | 165.1 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | trans | -127.6 | 72.1 | -174.8 | 67.8 | -85.2 | 0 | 0 | 0 | 114.7 | ||||
| 217 | E | 26.1 | Very low | 29.6 | Very low | 189 Ų | 189 | 162.8 Ų | 162.8 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -87.6 | 105.5 | 163.5 | -75.4 | -163 | 124.4 | 0 | 0 | 111.3 | I219 | E217-I219 PolarHBondContact O-N 2.86Š| ||
| 218 | C | 31.3 | Very low | 29.8 | Very low | 126 Ų | 126 | 163.1 Ų | 163.1 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -82.3 | 96.8 | 167.2 | -68.1 | 0 | 0 | 0 | 0 | 110.1 | L220 | C218-L220 PolarHBondContact O-N 3.16Å; C218-L220 VanDerWaalsContact O-N 3.16Å | ||
| 219 | I | 30.4 | Very low | 30.1 | Very low | 157 Ų | 157 | 162.5 Ų | 162.5 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | trans | -64.2 | 110.3 | 174.7 | -58.6 | 171.7 | 0 | 0 | 0 | 109.8 | E217 | E217-I219 PolarHBondContact O-N 2.86Š| ||
| 220 | L | 37.7 | Very low | 30.1 | Very low | 163 Ų | 163 | 163.4 Ų | 163.4 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -170.9 | 49.7 | 147.8 | -108 | 176.5 | 0 | 0 | 0 | 113.6 | C218 | C218-L220 PolarHBondContact O-N 3.16Å; C218-L220 VanDerWaalsContact O-N 3.16Å | ||
| 221 | K | 29.5 | Very low | 31 | Very low | 214 Ų | 214 | 160.1 Ų | 160.1 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | -141.3 | 83.5 | 170.5 | -73 | -169.7 | -180 | 175 | 0 | 113.9 | ||||
| 222 | D | 29.1 | Very low | 31.2 | Very low | 142 Ų | 142 | 157 Ų | 157 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | trans | -155.4 | 130.7 | 140.3 | -166.9 | 7.4 | 0 | 0 | 0 | 111.9 | ||||
| 223 | K | 31.6 | Very low | 31.3 | Very low | 201 Ų | 201 | 156.7 Ų | 156.7 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | 171 | 66.4 | 148.6 | -97.3 | 168.7 | -177 | 174.5 | 0 | 112.4 | ||||
| 224 | Q | 30.4 | Very low | 31.5 | Very low | 182 Ų | 182 | 155.7 Ų | 155.7 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -167 | 135.6 | 152.4 | -112 | 174.8 | 81.2 | 0 | 0 | 106.9 | ||||
| 225 | K | 31.7 | Very low | 31.7 | Very low | 166 Ų | 166 | 159.4 Ų | 159.4 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | cis | -169.8 | 143.6 | 32.3 | 158.6 | -170.1 | 174.7 | -176.6 | 0 | 110.5 | ||||
| 226 | T | 28.4 | Very low | 32 | Very low | 152 Ų | 152 | 159.8 Ų | 159.8 | 93% | 0.933 | 81% | 0.814 | S | S | * | * | trans | -151.3 | 158.2 | 149.9 | 6.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 227 | T | 25.3 | Very low | 32.3 | Very low | 97 Ų | 97 | 158.9 Ų | 158.9 | 60% | 0.595 | 82% | 0.818 | S | S | * | * | trans | -129 | 132.5 | -164.1 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 228 | I | 32.2 | Very low | 32.6 | Very low | 172 Ų | 172 | 158.8 Ų | 158.8 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | trans | -134.5 | 146.2 | 154.3 | -60.6 | -176.5 | 0 | 0 | 0 | 107 | ||||
| 229 | Q | 33.4 | Very low | 32.9 | Very low | 167 Ų | 167 | 161.9 Ų | 161.9 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | trans | -107.9 | 139.9 | 178.8 | -57 | 175 | 15 | 0 | 0 | 110.2 | ||||
| 230 | D | 25.4 | Very low | 33.1 | Very low | 163 Ų | 163 | 162.3 Ų | 162.3 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | -163.3 | 163.2 | 123.4 | -129.1 | 22.3 | 0 | 0 | 0 | 109.9 | |||||
| 231 | P | 48.8 | Very low | 33.4 | Very low | 105 Ų | 105 | 163.4 Ų | 163.4 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | trans | -107.4 | 162.4 | -156.2 | 39.6 | -37.2 | 0 | 0 | 0 | 115.8 | ||||
| 232 | S | 32.1 | Very low | 33.7 | Very low | 110 Ų | 110 | 161.3 Ų | 161.3 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | 176.9 | 154 | 129.4 | 47.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 233 | Q | 34.5 | Very low | 34 | Very low | 163 Ų | 163 | 156.2 Ų | 156.2 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 52 | 83.8 | 163 | -50.2 | -74.2 | 5 | 0 | 0 | 117 | ||||
| 234 | I | 37.3 | Very low | 34.3 | Very low | 159 Ų | 159 | 150.5 Ų | 150.5 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | 57.4 | 96.3 | 78 | -50 | 170.7 | 0 | 0 | 0 | 115.3 | |||||
| 235 | R | 31.7 | Very low | 34.7 | Very low | 245 Ų | 245 | 144.6 Ų | 144.6 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | -152.3 | 119.6 | 125.3 | 177.5 | 163.4 | -82.7 | -106 | 0 | 108.5 | |||||
| 236 | G | 32.3 | Very low | 35.8 | Very low | 70 Ų | 70 | 138.2 Ų | 138.2 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | trans | -81.9 | 143.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 237 | Q | 39.1 | Very low | 37.2 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 91% | 0.907 | 74% | 0.741 | S | S | * | * | trans | -107.9 | 144.5 | 135.9 | -75.4 | -178.6 | -28.2 | 0 | 0 | 107.1 | K239 | Q237-K239 PolarHBondContact O-N 2.91Å; Q237-K239 VanDerWaalsContact O-N 3.16Å | ||
| 238 | Q | 32.3 | Very low | 39.6 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | trans | -71.8 | 109.1 | 174.9 | -72.3 | 163.1 | -89.7 | 0 | 0 | 107.9 | E240 | Q238-E240 VanDerWaalsContact C-N 3.29Å; Q238-E240 PolarHBondContact O-N 3.1Å; Q238-E240 VanDerWaalsContact O-N 3.1Å | ||
| 239 | K | 36.9 | Very low | 42.2 | Very low | 190 Ų | 190 | 135.6 Ų | 135.6 | 83% | 0.826 | 72% | 0.717 | S | S | * | * | trans | -80.5 | 84.7 | 168.8 | -169.2 | -173.2 | -178.5 | -166.6 | 0 | 108 | Q237 | Q237-K239 PolarHBondContact O-N 2.91Å; Q237-K239 VanDerWaalsContact O-N 3.16Å | ||
| 240 | E | 35.3 | Very low | 44.9 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | -59.8 | 139.1 | 160.6 | -68.6 | -174.5 | 118 | 0 | 0 | 108.3 | Q238 E242 | Q238-E240 VanDerWaalsContact C-N 3.29Å; Q238-E240 PolarHBondContact O-N 3.1Å; Q238-E240 VanDerWaalsContact O-N 3.1Å; E240-E242 PolarHBondContact O-N 3Å | ||
| 241 | E | 44.2 | Very low | 48.1 | Very low | 186 Ų | 186 | 123 Ų | 123 | 87% | 0.869 | 65% | 0.652 | S | S | * | * | trans | -80.3 | 65.5 | 175 | -64.5 | -163.9 | 127 | 0 | 0 | 109.2 | G243 | E241-G243 PolarHBondContact O-N 3.32Š| ||
| 242 | E | 35.8 | Very low | 50.2 | Low | 170 Ų | 170 | 119.2 Ų | 119.2 | 79% | 0.794 | 63% | 0.626 | S | S | * | * | trans | -63 | 124.5 | -177.9 | -167.6 | 169.4 | -150.1 | 0 | 0 | 110.5 | E240 G244 | E240-E242 PolarHBondContact O-N 3Å; E242-G244 PolarHBondContact O-N 2.91Å | ||
| 243 | G | 34.5 | Very low | 53.2 | Low | 36 Ų | 36 | 115.3 Ų | 115.3 | 37% | 0.371 | 60% | 0.596 | S | S | . | * | trans | -74.3 | 96.3 | -159.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E241 F245 Q413 | E241-G243 PolarHBondContact O-N 3.32Å; G243-F245 VanDerWaalsContact C-N 3.26Å; G243-F245 PolarHBondContact O-N 3.16Å; G243-Q413 PolarHBondContact O-NE2 3.07Å | ||
| 244 | G | 39.3 | Very low | 56.1 | Low | 81 Ų | 81 | 107.6 Ų | 107.6 | 84% | 0.835 | 56% | 0.56 | S | S | * | * | trans | 61.1 | 17.2 | 140.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | E242 | E242-G244 PolarHBondContact O-N 2.91Š| ||
| 245 | F | 38 | Very low | 58.8 | Low | 58 Ų | 58 | 103.2 Ų | 103.2 | 25% | 0.254 | 54% | 0.544 | S | S | . | . | trans | -75.4 | 146 | 174.6 | -133.7 | -94.7 | 0 | 0 | 0 | 111.4 | G243 Q247 P312 I412 Q413 V416 | G243-F245 VanDerWaalsContact C-N 3.26Å; G243-F245 PolarHBondContact O-N 3.16Å; F245-Q247 PolarHBondContact O-N 3.03Å; F245-P312 HydrophobicContact CE1-CB 3.77Å; F245-P312 WeakPolarHBondContact CE1-O 3.38Å; F245-P312 HydrophobicContact CZ-CB 4.01Å; F245-P312 VanDerWaalsContact CZ-O 3.3Å; F245-P312 WeakPolarHBondContact CZ-O 3.3Å; F245-I412 HydrophobicContact CE1-CG2 3.59Å; F245-I412 HydrophobicContact CE2-CG2 3.85Å; F245-I412 HydrophobicContact CZ-CG2 3.15Å; F245-Q413 VanDerWaalsContact CG-OE1 3.3Å; F245-V416 HydrophobicContact CE2-CB 3.67Å; F245-V416 HydrophobicContact CE2-CG1 4.28Å; F245-V416 HydrophobicContact CE2-CG2 3.5Å; F245-V416 HydrophobicContact CZ-CB 4.33Å; F245-V416 HydrophobicContact CZ-CG2 3.65Å | ||
| 246 | G | 54 | Low | 61.7 | Low | 31 Ų | 31 | 93.7 Ų | 93.7 | 32% | 0.32 | 51% | 0.514 | S | S | . | . | trans | -60.6 | 132.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | C248 | G246-C248 PolarHBondContact O-N 3.28Š| ||
| 247 | Q | 59.8 | Low | 64.5 | Low | 198 Ų | 198 | 95.2 Ų | 95.2 | 93% | 0.925 | 51% | 0.514 | S | S | * | . | trans | -77.6 | 36.6 | -167.5 | -65 | 168.9 | -10.5 | 0 | 0 | 113.7 | F245 | F245-Q247 PolarHBondContact O-N 3.03Š| ||
| 248 | C | 74.1 | Confident | 67.1 | Low | 62 Ų | 62 | 95.6 Ų | 95.6 | 42% | 0.419 | 51% | 0.513 | S | S | . | . | trans | -90.3 | 114.3 | -178.2 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | G246 I250 | G246-C248 PolarHBondContact O-N 3.28Å; C248-I250 PolarHBondContact O-N 3.13Å | ||
| 249 | L | 87.3 | Confident | 70 | Confident | 106 Ų | 106 | 87.4 Ų | 87.4 | 56% | 0.555 | 48% | 0.476 | S | S | * | . | trans | -71.3 | 123.3 | 168.9 | -56.7 | -177.2 | 0 | 0 | 0 | 109.2 | ||||
| 250 | I | 90.8 | Very high | 72.6 | Confident | 23 Ų | 23 | 82.4 Ų | 82.4 | 12% | 0.118 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.2 | -177.6 | -51.9 | 174.8 | 0 | 0 | 0 | 109.2 | C248 L265 P271 V311 | C248-I250 PolarHBondContact O-N 3.13Å; I250-L265 HydrophobicContact CB-CB 4.18Å; I250-L265 HydrophobicContact CG2-CB 4.19Å; I250-L265 HydrophobicContact CG2-CD1 3.9Å; I250-L265 HydrophobicContact CG2-CG 4.47Å; I250-L265 PolarHBondContact O-N 2.91Å; I250-P271 HydrophobicContact CG2-CB 4.19Å; I250-P271 HydrophobicContact CG2-CG 3.96Å; I250-V311 HydrophobicContact CD1-CB 4.3Å; I250-V311 HydrophobicContact CD1-CG1 4.07Å; I250-V311 HydrophobicContact CD1-CG2 3.98Å; I250-V311 HydrophobicContact CG1-CG1 4.2Å |
| 251 | W | 92.6 | Very high | 75.4 | Confident | 44 Ų | 44 | 76.5 Ų | 76.5 | 17% | 0.167 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.4 | 179.4 | -70.6 | 81.2 | 0 | 0 | 0 | 111 | F19 W262 R263 Q264 E296 W298 | F19-W251 HydrophobicContact CE2-CB 4.23Å; F19-W251 AromaticContact CE2-CD2 3.95Å; F19-W251 HydrophobicContact CE2-CD2 3.95Å; F19-W251 AromaticContact CE2-CE3 3.99Å; F19-W251 HydrophobicContact CE2-CE3 3.99Å; F19-W251 HydrophobicContact CE2-CG 4.05Å; F19-W251 HydrophobicContact CZ-CD2 4.41Å; W251-W262 HydrophobicContact CB-CE3 4.18Å; W251-W262 HydrophobicContact CE3-CB 4.04Å; W251-W262 HydrophobicContact CZ3-CB 4.44Å; W251-R263 WeakPolarHBondContact CA-O 3.45Å; W251-Q264 HydrophobicContact CD2-CB 4.23Å; W251-Q264 HydrophobicContact CE3-CB 4.28Å; W251-Q264 HydrophobicContact CH2-CB 4.13Å; W251-Q264 HydrophobicContact CZ2-CB 4.03Å; W251-Q264 HydrophobicContact CZ2-CG 4.26Å; W251-Q264 HydrophobicContact CZ3-CB 4.26Å; W251-E296 HydrophobicContact CH2-CB 3.63Å; W251-E296 HydrophobicContact CZ3-CB 3.77Å; W251-W298 HydrophobicContact CH2-CB 4.06Å; W251-W298 HydrophobicContact CZ2-CB 3.81Å; W251-W298 AromaticContact CZ2-CD1 3.99Å; W251-W298 HydrophobicContact CZ2-CG 4.27Å; W251-W298 AromaticContact NE1-CD1 3.91Å |
| 252 | V | 93.3 | Very high | 77.8 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 15% | 0.145 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.6 | 178.4 | 65 | 0 | 0 | 0 | 0 | 110.6 | W262 R263 L265 L274 W278 | V252-W262 VanDerWaalsContact C-CE3 3.44Å; V252-W262 WeakPolarHBondContact O-CA 3.43Å; V252-R263 HydrophobicContact CG1-CB 4.24Å; V252-R263 PolarHBondContact N-O 2.87Å; V252-R263 PolarHBondContact O-N 2.8Å; V252-L265 HydrophobicContact CB-CD1 4.1Å; V252-L265 HydrophobicContact CB-CG 4.3Å; V252-L265 HydrophobicContact CG1-CD1 4.02Å; V252-L265 HydrophobicContact CG1-CD2 3.74Å; V252-L265 HydrophobicContact CG1-CG 3.76Å; V252-L274 HydrophobicContact CG2-CD1 4.21Å; V252-W278 HydrophobicContact CB-CE3 4.48Å; V252-W278 HydrophobicContact CB-CZ3 4.5Å; V252-W278 HydrophobicContact CG1-CD2 4.13Å; V252-W278 HydrophobicContact CG1-CE3 3.8Å; V252-W278 HydrophobicContact CG1-CH2 3.48Å; V252-W278 VanDerWaalsContact CG1-CH2 3.48Å; V252-W278 HydrophobicContact CG1-CZ2 3.79Å; V252-W278 HydrophobicContact CG1-CZ3 3.48Å; V252-W278 VanDerWaalsContact CG1-CZ3 3.48Å; V252-W278 HydrophobicContact CG2-CD2 4.12Å; V252-W278 HydrophobicContact CG2-CE3 3.86Å; V252-W278 HydrophobicContact CG2-CZ3 4.34Å |
| 253 | Q | 94.4 | Very high | 80.6 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 13% | 0.131 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 133.9 | 174.5 | -156.6 | -165.3 | 1 | 0 | 0 | 110.4 | S255 E260 W262 | Q253-S255 PolarHBondContact O-N 2.98Å; Q253-E260 WeakPolarHBondContact CG-O 3.16Å; Q253-E260 PolarHBondContact NE2-O 2.75Å; Q253-W262 HydrophobicContact CB-CD2 4Å; Q253-W262 HydrophobicContact CB-CE3 3.91Å; Q253-W262 HydrophobicContact CB-CH2 3.91Å; Q253-W262 HydrophobicContact CB-CZ2 3.96Å; Q253-W262 HydrophobicContact CB-CZ3 3.88Å; Q253-W262 HydrophobicContact CG-CD2 4.08Å; Q253-W262 HydrophobicContact CG-CZ2 4.13Å |
| 254 | C | 94.9 | Very high | 83.4 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.007 | 35% | 0.35 | C | S | . | . | trans | -69 | 113.6 | 171.1 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | S256 K261 W278 C280 | C254-S256 PolarHBondContact O-N 3.35Å; C254-K261 WeakPolarHBondContact CB-O 3.45Å; C254-K261 PolarHBondContact N-O 2.79Å; C254-W278 HydrophobicContact CB-CZ3 4.2Å; C254-C280 PolarHBondContact SG-N 3Å; C254-C280 VanDerWaalsContact SG-N 3.44Å; C254-C280 VanDerWaalsContact SG-SG 3.68Å | ||
| 255 | S | 94.3 | Very high | 85.7 | Confident | 68 Ų | 68 | 58.6 Ų | 58.6 | 48% | 0.476 | 31% | 0.311 | S | S | . | . | trans | -67.5 | 1.4 | -180 | -62.5 | 0 | 0 | 0 | 0 | 114.9 | Q253 S257 D276 W278 | Q253-S255 PolarHBondContact O-N 2.98Å; S255-S257 PolarHBondContact O-N 3.42Å; S255-D276 WeakPolarHBondContact CB-O 3.36Å; S255-D276 PolarHBondContact OG-O 2.93Å; S255-W278 WeakPolarHBondContact CB-O 3.5Å; S255-W278 PolarHBondContact N-O 2.71Å | ||
| 256 | S | 92.5 | Very high | 87.9 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | trans | -75 | 116.1 | 172.8 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | C254 K258 C259 E260 | C254-S256 PolarHBondContact O-N 3.35Å; S256-K258 PolarHBondContact O-N 3.49Å; S256-C259 PolarHBondContact O-N 3.19Å; S256-E260 PolarHBondContact O-N 3.14Å | ||
| 257 | S | 91.5 | Very high | 88.7 | Confident | 103 Ų | 103 | 63 Ų | 63 | 72% | 0.72 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 2.2 | -179.7 | 58.1 | 0 | 0 | 0 | 0 | 115.8 | S255 | S255-S257 PolarHBondContact O-N 3.42Š|
| 258 | K | 92.3 | Very high | 89.7 | Confident | 201 Ų | 201 | 57.7 Ų | 57.7 | 87% | 0.874 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -5.7 | 169.8 | -64.1 | -178.8 | -178.2 | 175.2 | 0 | 113.1 | S256 | S256-K258 PolarHBondContact O-N 3.49Š|
| 259 | C | 93.1 | Very high | 90.3 | Very high | 16 Ų | 16 | 55.9 Ų | 55.9 | 11% | 0.108 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -59.4 | -174.3 | -167.9 | 0 | 0 | 0 | 0 | 110.9 | S256 K261 C291 | S256-C259 PolarHBondContact O-N 3.19Å; C259-K261 PolarHBondContact O-N 2.7Å; C259-K261 PolarHBondContact SG-NZ 3.26Å; C259-C291 HydrophobicContact CB-CB 4.09Å |
| 260 | E | 92.5 | Very high | 90.4 | Very high | 84 Ų | 84 | 51.1 Ų | 51.1 | 39% | 0.393 | 27% | 0.272 | S | S | . | . | trans | 50.5 | 13.2 | -178.6 | -62 | -172.3 | 173.3 | 0 | 0 | 115.6 | Q253 S256 | Q253-E260 WeakPolarHBondContact CG-O 3.16Å; Q253-E260 PolarHBondContact NE2-O 2.75Å; S256-E260 PolarHBondContact O-N 3.14Å | ||
| 261 | K | 94.7 | Very high | 90.3 | Very high | 42 Ų | 42 | 51.6 Ų | 51.6 | 18% | 0.183 | 28% | 0.276 | C | S | . | . | trans | -71.9 | 146 | -176.2 | -70.3 | -175.4 | -172.9 | 72.3 | 0 | 111.7 | C254 C259 C291 I293 E295 | C254-K261 WeakPolarHBondContact CB-O 3.45Å; C254-K261 PolarHBondContact N-O 2.79Å; C259-K261 PolarHBondContact O-N 2.7Å; C259-K261 PolarHBondContact SG-NZ 3.26Å; K261-C291 PolarHBondContact NZ-O 3.25Å; K261-I293 WeakPolarHBondContact CD-O 3.44Å; K261-I293 WeakPolarHBondContact CE-O 3.39Å; K261-E295 VanDerWaalsContact CA-OE2 3.23Å; K261-E295 WeakPolarHBondContact CA-OE2 3.43Å; K261-E295 HydrophobicContact CB-CG 4.46Å; K261-E295 HydrophobicContact CD-CB 4.2Å; K261-E295 HydrophobicContact CG-CB 4.26Å | ||
| 262 | W | 94.1 | Very high | 90.1 | Very high | 27 Ų | 27 | 50.1 Ų | 50.1 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 144.3 | 164.4 | -67.7 | 95.3 | 0 | 0 | 0 | 111.1 | K17 F19 W251 V252 Q253 E295 Y307 | K17-W262 WeakPolarHBondContact O-CZ2 3.48Å; F19-W262 HydrophobicContact CB-CH2 4.35Å; F19-W262 HydrophobicContact CB-CZ2 3.87Å; F19-W262 HydrophobicContact CD2-CB 4.38Å; F19-W262 AromaticContact CD2-CD2 3.56Å; F19-W262 HydrophobicContact CD2-CD2 3.56Å; F19-W262 AromaticContact CD2-CE2 3.83Å; F19-W262 AromaticContact CD2-CE3 3.84Å; F19-W262 HydrophobicContact CD2-CE3 3.84Å; F19-W262 AromaticContact CD2-CG 3.79Å; F19-W262 HydrophobicContact CD2-CG 3.79Å; F19-W262 HydrophobicContact CD2-CZ2 4.32Å; F19-W262 HydrophobicContact CD2-CZ3 4.32Å; F19-W262 HydrophobicContact CE2-CB 4.27Å; F19-W262 HydrophobicContact CE2-CD2 4.27Å; F19-W262 HydrophobicContact CE2-CE3 4.47Å; F19-W262 HydrophobicContact CE2-CG 4.16Å; W251-W262 HydrophobicContact CB-CE3 4.18Å; W251-W262 HydrophobicContact CE3-CB 4.04Å; W251-W262 HydrophobicContact CZ3-CB 4.44Å; V252-W262 VanDerWaalsContact C-CE3 3.44Å; V252-W262 WeakPolarHBondContact O-CA 3.43Å; Q253-W262 HydrophobicContact CB-CD2 4Å; Q253-W262 HydrophobicContact CB-CE3 3.91Å; Q253-W262 HydrophobicContact CB-CH2 3.91Å; Q253-W262 HydrophobicContact CB-CZ2 3.96Å; Q253-W262 HydrophobicContact CB-CZ3 3.88Å; Q253-W262 HydrophobicContact CG-CD2 4.08Å; Q253-W262 HydrophobicContact CG-CZ2 4.13Å; W262-E295 PolarHBondContact N-OE2 2.89Å; W262-Y307 HydrophobicContact CH2-CE1 4.3Å |
| 263 | R | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 135.3 | 178.9 | -68.1 | -62 | -175.8 | -147.9 | 1.8 | 109.9 | W251 V252 W278 C280 Y288 R290 I293 P294 E296 | W251-R263 WeakPolarHBondContact CA-O 3.45Å; V252-R263 HydrophobicContact CG1-CB 4.24Å; V252-R263 PolarHBondContact N-O 2.87Å; V252-R263 PolarHBondContact O-N 2.8Å; R263-W278 HydrophobicContact CB-CH2 3.71Å; R263-W278 HydrophobicContact CB-CZ3 4.21Å; R263-W278 HydrophobicContact CG-CH2 3.81Å; R263-W278 HydrophobicContact CG-CZ3 4.15Å; R263-C280 PolarHBondContact NE-SG 3.44Å; R263-C280 VanDerWaalsContact NE-SG 3.45Å; R263-Y288 PolarHBondContact NE-O 3.14Å; R263-R290 PolarHBondContact NH2-O 2.98Å; R263-I293 PolarHBondContact NH2-O 2.86Å; R263-P294 PolarHBondContact NH1-O 3.44Å; R263-P294 PolarHBondContact NH2-O 3.03Å; R263-E296 VanDerWaalsContact CA-OE1 3.3Å; R263-E296 WeakPolarHBondContact CA-OE1 3.48Å; R263-E296 WeakPolarHBondContact CD-OE1 3.34Å; R263-E296 IonicContact NH1-OE1 3.68Å |
| 264 | Q | 92.8 | Very high | 89.7 | Confident | 66 Ų | 66 | 52.9 Ų | 52.9 | 31% | 0.308 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 135.9 | 171.3 | -165.8 | 178 | -34 | 0 | 0 | 109.1 | W251 E296 | W251-Q264 HydrophobicContact CD2-CB 4.23Å; W251-Q264 HydrophobicContact CE3-CB 4.28Å; W251-Q264 HydrophobicContact CH2-CB 4.13Å; W251-Q264 HydrophobicContact CZ2-CB 4.03Å; W251-Q264 HydrophobicContact CZ2-CG 4.26Å; W251-Q264 HydrophobicContact CZ3-CB 4.26Å; Q264-E296 VanDerWaalsContact CB-OE2 3.26Å; Q264-E296 WeakPolarHBondContact CB-OE2 3.44Å; Q264-E296 PolarHBondContact N-OE1 2.85Å; Q264-E296 VanDerWaalsContact N-OE1 3.16Å; Q264-E296 PolarHBondContact N-OE2 2.96Å |
| 265 | L | 89.4 | Confident | 89.5 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 147.6 | 167.5 | -64.7 | 178.6 | 0 | 0 | 0 | 109.7 | I250 V252 I269 P271 L274 W278 | I250-L265 HydrophobicContact CB-CB 4.18Å; I250-L265 HydrophobicContact CG2-CB 4.19Å; I250-L265 HydrophobicContact CG2-CD1 3.9Å; I250-L265 HydrophobicContact CG2-CG 4.47Å; I250-L265 PolarHBondContact O-N 2.91Å; V252-L265 HydrophobicContact CB-CD1 4.1Å; V252-L265 HydrophobicContact CB-CG 4.3Å; V252-L265 HydrophobicContact CG1-CD1 4.02Å; V252-L265 HydrophobicContact CG1-CD2 3.74Å; V252-L265 HydrophobicContact CG1-CG 3.76Å; L265-I269 HydrophobicContact CB-CB 4.4Å; L265-I269 HydrophobicContact CB-CD1 4.35Å; L265-I269 HydrophobicContact CD1-CG2 4.2Å; L265-I269 HydrophobicContact CD2-CD1 4.06Å; L265-I269 HydrophobicContact CD2-CG2 4.34Å; L265-P271 HydrophobicContact CD1-CB 4.37Å; L265-L274 HydrophobicContact CD1-CD1 3.63Å; L265-L274 HydrophobicContact CD2-CD1 4.37Å; L265-W278 HydrophobicContact CD2-CZ2 4.36Å |
| 266 | R | 82.6 | Confident | 89.2 | Confident | 128 Ų | 128 | 59.7 Ų | 59.7 | 48% | 0.483 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 149.7 | 169 | -63 | -179.2 | 177.6 | -164.9 | -1.9 | 109.3 | D268 I269 D285 | R266-D268 WeakPolarHBondContact CB-OD1 3.16Å; R266-D268 PolarHBondContact O-N 2.93Å; R266-I269 HydrophobicContact CB-CD1 4.28Å; R266-I269 PolarHBondContact O-N 3.29Å; R266-D285 IonicContact CZ-OD2 3.41Å; R266-D285 IonicContact NE-OD2 2.71Å; R266-D285 PolarHBondContact NE-OD2 3.1Å; R266-D285 VanDerWaalsContact NE-OD2 3.14Å; R266-D285 IonicContact NH2-OD1 2.64Å; R266-D285 IonicContact NH2-OD2 3.82Å; R266-D285 PolarHBondContact NH2-OD2 2.9Å |
| 267 | G | 72.3 | Confident | 89.2 | Confident | 53 Ų | 53 | 63.2 Ų | 63.2 | 55% | 0.546 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -8.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | I412 | G267-I412 WeakPolarHBondContact O-CG2 3.37Š|
| 268 | D | 79.9 | Confident | 89.3 | Confident | 88 Ų | 88 | 58.6 Ų | 58.6 | 47% | 0.471 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -16.9 | 172.9 | 57.9 | -51.7 | 0 | 0 | 0 | 113.8 | R266 N411 | R266-D268 WeakPolarHBondContact CB-OD1 3.16Å; R266-D268 PolarHBondContact O-N 2.93Å; D268-N411 HydrophobicContact CB-CB 4.3Å |
| 269 | I | 86.5 | Confident | 89.5 | Confident | 23 Ų | 23 | 50.2 Ų | 50.2 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | trans | -95 | 124.1 | -171.6 | -51 | 171.2 | 0 | 0 | 0 | 111.5 | L265 R266 P271 L274 P284 I412 | L265-I269 HydrophobicContact CB-CB 4.4Å; L265-I269 HydrophobicContact CB-CD1 4.35Å; L265-I269 HydrophobicContact CD1-CG2 4.2Å; L265-I269 HydrophobicContact CD2-CD1 4.06Å; L265-I269 HydrophobicContact CD2-CG2 4.34Å; R266-I269 HydrophobicContact CB-CD1 4.28Å; R266-I269 PolarHBondContact O-N 3.29Å; I269-P271 WeakPolarHBondContact O-CD 3.39Å; I269-L274 HydrophobicContact CG2-CD2 4.1Å; I269-P284 HydrophobicContact CD1-CB 4.48Å; I269-P284 HydrophobicContact CD1-CG 3.69Å; I269-I412 VanDerWaalsContact C-CD1 3.44Å; I269-I412 WeakPolarHBondContact O-CD1 3.49Å | ||
| 270 | D | 88.9 | Confident | 89.6 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.032 | 27% | 0.268 | C | S | . | . | trans | -84.8 | 112.3 | 177.9 | -169.5 | -16 | 0 | 0 | 0 | 111.4 | S272 V273 S314 I412 R415 | D270-S272 PolarHBondContact O-N 2.77Å; D270-S272 VanDerWaalsContact O-N 3.1Å; D270-S272 WeakPolarHBondContact OD1-CB 3.08Å; D270-S272 PolarHBondContact OD1-N 2.83Å; D270-S272 PolarHBondContact OD1-OG 2.84Å; D270-S272 PolarHBondContact OD2-OG 2.84Å; D270-V273 HydrophobicContact CB-CG1 4.17Å; D270-V273 HydrophobicContact CB-CG2 4.07Å; D270-V273 WeakPolarHBondContact O-CG2 3.5Å; D270-V273 PolarHBondContact O-N 2.59Å; D270-V273 VanDerWaalsContact O-N 3.09Å; D270-S314 PolarHBondContact OD1-OG 2.87Å; D270-S314 WeakPolarHBondContact OD2-CA 3.48Å; D270-I412 HydrophobicContact CB-CD1 3.91Å; D270-I412 HydrophobicContact CB-CG1 4.42Å; D270-R415 IonicContact OD2-CZ 2.8Å; D270-R415 IonicContact OD2-NH2 3.85Å; D270-R415 PolarHBondContact OD2-NH2 3.23Å | ||
| 271 | P | 89 | Confident | 89.6 | Confident | 33 Ų | 33 | 50.4 Ų | 50.4 | 21% | 0.214 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -18.9 | 178.8 | 27.4 | -35.2 | 0 | 0 | 0 | 112.5 | I250 L265 I269 V311 | I250-P271 HydrophobicContact CG2-CB 4.19Å; I250-P271 HydrophobicContact CG2-CG 3.96Å; L265-P271 HydrophobicContact CD1-CB 4.37Å; I269-P271 WeakPolarHBondContact O-CD 3.39Å; P271-V311 HydrophobicContact CG-CG1 3.72Å; P271-V311 HydrophobicContact CG-CG2 4.01Å |
| 272 | S | 88.4 | Confident | 89.5 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -21.5 | 176.8 | 75.7 | 0 | 0 | 0 | 0 | 113.7 | D270 N374 | D270-S272 PolarHBondContact O-N 2.77Å; D270-S272 VanDerWaalsContact O-N 3.1Å; D270-S272 WeakPolarHBondContact OD1-CB 3.08Å; D270-S272 PolarHBondContact OD1-N 2.83Å; D270-S272 PolarHBondContact OD1-OG 2.84Å; D270-S272 PolarHBondContact OD2-OG 2.84Å; S272-N374 PolarHBondContact O-ND2 3.45Å |
| 273 | V | 89.1 | Confident | 89.4 | Confident | 67 Ų | 67 | 51.3 Ų | 51.3 | 41% | 0.406 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -92.4 | -0.1 | 174.3 | -47.2 | 0 | 0 | 0 | 0 | 113 | D270 | D270-V273 HydrophobicContact CB-CG1 4.17Å; D270-V273 HydrophobicContact CB-CG2 4.07Å; D270-V273 WeakPolarHBondContact O-CG2 3.5Å; D270-V273 PolarHBondContact O-N 2.59Å; D270-V273 VanDerWaalsContact O-N 3.09Å |
| 274 | L | 90.4 | Very high | 89.2 | Confident | 43 Ų | 43 | 55 Ų | 55 | 23% | 0.225 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -75.9 | 140 | 174.3 | -61.4 | -175.1 | 0 | 0 | 0 | 110.8 | V252 L265 I269 W278 | V252-L274 HydrophobicContact CG2-CD1 4.21Å; L265-L274 HydrophobicContact CD1-CD1 3.63Å; L265-L274 HydrophobicContact CD2-CD1 4.37Å; I269-L274 HydrophobicContact CG2-CD2 4.1Å; L274-W278 HydrophobicContact CD1-CG 4.34Å |
| 275 | P | 90.6 | Very high | 89.1 | Confident | 57 Ų | 57 | 53.1 Ų | 53.1 | 37% | 0.37 | 30% | 0.298 | S | S | . | . | trans | -74.2 | 149.9 | -179.7 | 32.5 | -36.9 | 0 | 0 | 0 | 111.6 | N277 W278 | P275-N277 WeakPolarHBondContact CB-OD1 3.03Å; P275-N277 PolarHBondContact O-N 3.5Å; P275-W278 VanDerWaalsContact O-CB 3.29Å; P275-W278 WeakPolarHBondContact O-CB 3.48Å; P275-W278 PolarHBondContact O-N 3.06Å | ||
| 276 | D | 88.3 | Confident | 89.2 | Confident | 155 Ų | 155 | 59.3 Ų | 59.3 | 83% | 0.829 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -29.9 | -179.6 | -81.8 | -52.7 | 0 | 0 | 0 | 114 | S255 W278 | S255-D276 WeakPolarHBondContact CB-O 3.36Å; S255-D276 PolarHBondContact OG-O 2.93Å; D276-W278 VanDerWaalsContact C-N 3.29Å; D276-W278 PolarHBondContact O-N 2.77Å |
| 277 | N | 92.2 | Very high | 89.6 | Confident | 118 Ų | 118 | 58.4 Ų | 58.4 | 63% | 0.631 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 18.1 | 178.2 | 72.7 | -58.1 | 0 | 0 | 0 | 114.1 | P275 | P275-N277 WeakPolarHBondContact CB-OD1 3.03Å; P275-N277 PolarHBondContact O-N 3.5Å |
| 278 | W | 94.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 2% | 0.023 | 32% | 0.324 | C | S | . | . | trans | -51.2 | 138 | -178.2 | -173.1 | 92.9 | 0 | 0 | 0 | 113 | V252 C254 S255 R263 L265 L274 P275 D276 N283 | V252-W278 HydrophobicContact CB-CE3 4.48Å; V252-W278 HydrophobicContact CB-CZ3 4.5Å; V252-W278 HydrophobicContact CG1-CD2 4.13Å; V252-W278 HydrophobicContact CG1-CE3 3.8Å; V252-W278 HydrophobicContact CG1-CH2 3.48Å; V252-W278 VanDerWaalsContact CG1-CH2 3.48Å; V252-W278 HydrophobicContact CG1-CZ2 3.79Å; V252-W278 HydrophobicContact CG1-CZ3 3.48Å; V252-W278 VanDerWaalsContact CG1-CZ3 3.48Å; V252-W278 HydrophobicContact CG2-CD2 4.12Å; V252-W278 HydrophobicContact CG2-CE3 3.86Å; V252-W278 HydrophobicContact CG2-CZ3 4.34Å; C254-W278 HydrophobicContact CB-CZ3 4.2Å; S255-W278 WeakPolarHBondContact CB-O 3.5Å; S255-W278 PolarHBondContact N-O 2.71Å; R263-W278 HydrophobicContact CB-CH2 3.71Å; R263-W278 HydrophobicContact CB-CZ3 4.21Å; R263-W278 HydrophobicContact CG-CH2 3.81Å; R263-W278 HydrophobicContact CG-CZ3 4.15Å; L265-W278 HydrophobicContact CD2-CZ2 4.36Å; L274-W278 HydrophobicContact CD1-CG 4.34Å; P275-W278 VanDerWaalsContact O-CB 3.29Å; P275-W278 WeakPolarHBondContact O-CB 3.48Å; P275-W278 PolarHBondContact O-N 3.06Å; D276-W278 VanDerWaalsContact C-N 3.29Å; D276-W278 PolarHBondContact O-N 2.77Å; W278-N283 HydrophobicContact CH2-CB 4.08Å; W278-N283 HydrophobicContact CZ2-CB 3.77Å | ||
| 279 | S | 95.4 | Very high | 91.3 | Very high | 24 Ų | 24 | 57.6 Ų | 57.6 | 17% | 0.168 | 31% | 0.312 | C | S | . | . | trans | -133.7 | 160.5 | -174.6 | 62 | 0 | 0 | 0 | 0 | 111.8 | D281 Q282 | S279-D281 PolarHBondContact O-N 3.05Å; S279-D281 VanDerWaalsContact O-N 3.07Å; S279-Q282 WeakPolarHBondContact O-CB 3.28Å; S279-Q282 PolarHBondContact O-N 3.18Å; S279-Q282 PolarHBondContact OG-OE1 3.3Å | ||
| 280 | C | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -53.4 | -33.8 | 178.3 | -64 | 0 | 0 | 0 | 0 | 112 | C254 R263 Q282 N283 N289 R290 | C254-C280 PolarHBondContact SG-N 3Å; C254-C280 VanDerWaalsContact SG-N 3.44Å; C254-C280 VanDerWaalsContact SG-SG 3.68Å; R263-C280 PolarHBondContact NE-SG 3.44Å; R263-C280 VanDerWaalsContact NE-SG 3.45Å; C280-Q282 PolarHBondContact O-N 2.82Å; C280-N283 VanDerWaalsContact O-CB 3.32Å; C280-N283 WeakPolarHBondContact O-CB 3.27Å; C280-N283 PolarHBondContact O-N 3.22Å; C280-N289 CarbonylContact O-C 3.47Å; C280-N289 WeakPolarHBondContact O-CA 3.44Å; C280-R290 WeakPolarHBondContact CB-O 3.2Å |
| 281 | D | 93.6 | Very high | 92 | Very high | 104 Ų | 104 | 64.2 Ų | 64.2 | 56% | 0.556 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -67.7 | -4.9 | -178.5 | -45.1 | -21.4 | 0 | 0 | 0 | 112.8 | S279 N289 R290 | S279-D281 PolarHBondContact O-N 3.05Å; S279-D281 VanDerWaalsContact O-N 3.07Å; D281-N289 VanDerWaalsContact CA-O 3.3Å; D281-N289 WeakPolarHBondContact CA-O 3.2Å; D281-R290 WeakPolarHBondContact OD1-CA 3.45Å |
| 282 | Q | 92.3 | Very high | 92.3 | Very high | 83 Ų | 83 | 67.7 Ų | 67.7 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -111.1 | 8.7 | 173.8 | -60.5 | 165.6 | -92.5 | 0 | 0 | 113 | S279 C280 P284 | S279-Q282 WeakPolarHBondContact O-CB 3.28Å; S279-Q282 PolarHBondContact O-N 3.18Å; S279-Q282 PolarHBondContact OG-OE1 3.3Å; C280-Q282 PolarHBondContact O-N 2.82Å; Q282-P284 WeakPolarHBondContact O-CD 3.46Å |
| 283 | N | 92.9 | Very high | 92.5 | Very high | 6 Ų | 6 | 68.8 Ų | 68.8 | 3% | 0.032 | 36% | 0.362 | C | S | . | . | trans | -78.7 | 126.7 | 171.2 | -171.7 | -3.4 | 0 | 0 | 0 | 110 | W278 C280 D285 N289 | W278-N283 HydrophobicContact CH2-CB 4.08Å; W278-N283 HydrophobicContact CZ2-CB 3.77Å; C280-N283 VanDerWaalsContact O-CB 3.32Å; C280-N283 WeakPolarHBondContact O-CB 3.27Å; C280-N283 PolarHBondContact O-N 3.22Å; N283-D285 PolarHBondContact O-N 3.04Å; N283-D285 PolarHBondContact OD1-N 3.09Å; N283-N289 HydrophobicContact CB-CB 4.35Å; N283-N289 WeakPolarHBondContact O-CB 3.47Å | ||
| 284 | P | 90.1 | Very high | 92.8 | Very high | 78 Ų | 78 | 70.2 Ų | 70.2 | 51% | 0.506 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -64.1 | -20 | 172.7 | -25.9 | 38.1 | 0 | 0 | 0 | 114.6 | I269 Q282 L286 | I269-P284 HydrophobicContact CD1-CB 4.48Å; I269-P284 HydrophobicContact CD1-CG 3.69Å; Q282-P284 WeakPolarHBondContact O-CD 3.46Å; P284-L286 PolarHBondContact O-N 3.16Å |
| 285 | D | 90.4 | Very high | 92.9 | Very high | 26 Ų | 26 | 70.8 Ų | 70.8 | 14% | 0.139 | 37% | 0.374 | C | S | . | . | trans | -77.1 | 104.3 | 176.4 | -156.1 | -57.4 | 0 | 0 | 0 | 112.3 | R266 N283 N287 Y288 N289 | R266-D285 IonicContact CZ-OD2 3.41Å; R266-D285 IonicContact NE-OD2 2.71Å; R266-D285 PolarHBondContact NE-OD2 3.1Å; R266-D285 VanDerWaalsContact NE-OD2 3.14Å; R266-D285 IonicContact NH2-OD1 2.64Å; R266-D285 IonicContact NH2-OD2 3.82Å; R266-D285 PolarHBondContact NH2-OD2 2.9Å; N283-D285 PolarHBondContact O-N 3.04Å; N283-D285 PolarHBondContact OD1-N 3.09Å; D285-N287 PolarHBondContact O-N 2.8Å; D285-N287 VanDerWaalsContact OD1-CB 3.29Å; D285-N287 WeakPolarHBondContact OD1-CB 3.41Å; D285-N287 PolarHBondContact OD1-N 3.43Å; D285-N287 PolarHBondContact OD1-ND2 2.79Å; D285-Y288 CarbonylContact O-C 3.46Å; D285-Y288 PolarHBondContact O-N 2.69Å; D285-N289 WeakPolarHBondContact O-CB 3.5Å; D285-N289 PolarHBondContact O-N 3.05Å | ||
| 286 | L | 90.3 | Very high | 93 | Very high | 133 Ų | 133 | 69 Ų | 69 | 70% | 0.696 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -17.8 | 179.9 | -56.1 | -178.7 | 0 | 0 | 0 | 114.4 | P284 Y288 N289 | P284-L286 PolarHBondContact O-N 3.16Å; L286-Y288 VanDerWaalsContact C-N 3.31Å; L286-N289 WeakPolarHBondContact CD2-ND2 3.46Å; L286-N289 PolarHBondContact O-OD1 3.04Å |
| 287 | N | 92.7 | Very high | 93 | Very high | 109 Ų | 109 | 67.1 Ų | 67.1 | 58% | 0.583 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -16.4 | 175.4 | -56.1 | -78.9 | 0 | 0 | 0 | 112.7 | D285 I293 | D285-N287 PolarHBondContact O-N 2.8Å; D285-N287 VanDerWaalsContact OD1-CB 3.29Å; D285-N287 WeakPolarHBondContact OD1-CB 3.41Å; D285-N287 PolarHBondContact OD1-N 3.43Å; D285-N287 PolarHBondContact OD1-ND2 2.79Å; N287-I293 WeakPolarHBondContact O-CG2 3.15Å |
| 288 | Y | 92.8 | Very high | 92.6 | Very high | 81 Ų | 81 | 63.4 Ų | 63.4 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.9 | 12.1 | -174.8 | -60.3 | -66.8 | 0 | 0 | 0 | 113.7 | R263 D285 L286 R290 I293 E296 | R263-Y288 PolarHBondContact NE-O 3.14Å; D285-Y288 CarbonylContact O-C 3.46Å; D285-Y288 PolarHBondContact O-N 2.69Å; L286-Y288 VanDerWaalsContact C-N 3.31Å; Y288-R290 PolarHBondContact O-N 2.73Å; Y288-I293 HydrophobicContact CD1-CG2 3.73Å; Y288-I293 HydrophobicContact CE1-CG2 4.23Å; Y288-E296 HydrophobicContact CD1-CG 3.5Å; Y288-E296 VanDerWaalsContact CD2-CD 3.42Å; Y288-E296 HydrophobicContact CD2-CG 3.65Å; Y288-E296 HydrophobicContact CE1-CG 3.44Å; Y288-E296 VanDerWaalsContact CE1-CG 3.44Å; Y288-E296 HydrophobicContact CE2-CG 3.59Å; Y288-E296 HydrophobicContact CG-CG 3.61Å; Y288-E296 VanDerWaalsContact CZ-CG 3.49Å |
| 289 | N | 94.1 | Very high | 92 | Very high | 43 Ų | 43 | 69.6 Ų | 69.6 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | trans | -78.4 | 24.9 | -176.3 | 76 | -17.5 | 0 | 0 | 0 | 116 | C280 D281 N283 D285 L286 | C280-N289 CarbonylContact O-C 3.47Å; C280-N289 WeakPolarHBondContact O-CA 3.44Å; D281-N289 VanDerWaalsContact CA-O 3.3Å; D281-N289 WeakPolarHBondContact CA-O 3.2Å; N283-N289 HydrophobicContact CB-CB 4.35Å; N283-N289 WeakPolarHBondContact O-CB 3.47Å; D285-N289 WeakPolarHBondContact O-CB 3.5Å; D285-N289 PolarHBondContact O-N 3.05Å; L286-N289 WeakPolarHBondContact CD2-ND2 3.46Å; L286-N289 PolarHBondContact O-OD1 3.04Å | ||
| 290 | R | 95.3 | Very high | 91.3 | Very high | 131 Ų | 131 | 70.3 Ų | 70.3 | 49% | 0.494 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -146.2 | 155.3 | 178.9 | -61.6 | 167.8 | 59 | 107.4 | -4.5 | 112.3 | R263 C280 D281 Y288 D292 I293 | R263-R290 PolarHBondContact NH2-O 2.98Å; C280-R290 WeakPolarHBondContact CB-O 3.2Å; D281-R290 WeakPolarHBondContact OD1-CA 3.45Å; Y288-R290 PolarHBondContact O-N 2.73Å; R290-D292 WeakPolarHBondContact CB-OD1 3.33Å; R290-D292 IonicContact CZ-OD1 3.33Å; R290-D292 IonicContact CZ-OD2 3.98Å; R290-D292 IonicContact NE-OD1 2.92Å; R290-D292 PolarHBondContact NE-OD1 2.95Å; R290-D292 IonicContact NE-OD2 3.27Å; R290-D292 PolarHBondContact NE-OD2 2.64Å; R290-D292 IonicContact NH2-OD1 3.14Å; R290-D292 IonicContact NH2-OD2 2.69Å; R290-D292 PolarHBondContact NH2-OD2 3.26Å; R290-I293 HydrophobicContact CB-CD1 3.82Å; R290-I293 HydrophobicContact CB-CG1 4.04Å; R290-I293 HydrophobicContact CG-CD1 4.21Å |
| 291 | C | 95.4 | Very high | 90.6 | Very high | 37 Ų | 37 | 73.8 Ų | 73.8 | 25% | 0.25 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -75.2 | -19.1 | 178.5 | -64.6 | 0 | 0 | 0 | 0 | 114.6 | C259 K261 | C259-C291 HydrophobicContact CB-CB 4.09Å; K261-C291 PolarHBondContact NZ-O 3.25Å |
| 292 | D | 94.3 | Very high | 90 | Very high | 107 Ų | 107 | 74.3 Ų | 74.3 | 57% | 0.572 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -84.1 | -25.6 | 178.6 | 52.4 | 2.1 | 0 | 0 | 0 | 113.5 | R290 | R290-D292 WeakPolarHBondContact CB-OD1 3.33Å; R290-D292 IonicContact CZ-OD1 3.33Å; R290-D292 IonicContact CZ-OD2 3.98Å; R290-D292 IonicContact NE-OD1 2.92Å; R290-D292 PolarHBondContact NE-OD1 2.95Å; R290-D292 IonicContact NE-OD2 3.27Å; R290-D292 PolarHBondContact NE-OD2 2.64Å; R290-D292 IonicContact NH2-OD1 3.14Å; R290-D292 IonicContact NH2-OD2 2.69Å; R290-D292 PolarHBondContact NH2-OD2 3.26Å |
| 293 | I | 93.8 | Very high | 89.2 | Confident | 36 Ų | 36 | 75 Ų | 75 | 19% | 0.185 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -64 | 138.7 | 173.3 | -59.9 | 170 | 0 | 0 | 0 | 110.4 | K261 R263 N287 Y288 R290 | K261-I293 WeakPolarHBondContact CD-O 3.44Å; K261-I293 WeakPolarHBondContact CE-O 3.39Å; R263-I293 PolarHBondContact NH2-O 2.86Å; N287-I293 WeakPolarHBondContact O-CG2 3.15Å; Y288-I293 HydrophobicContact CD1-CG2 3.73Å; Y288-I293 HydrophobicContact CE1-CG2 4.23Å; R290-I293 HydrophobicContact CB-CD1 3.82Å; R290-I293 HydrophobicContact CB-CG1 4.04Å; R290-I293 HydrophobicContact CG-CD1 4.21Å |
| 294 | P | 93.8 | Very high | 88.7 | Confident | 97 Ų | 97 | 79.9 Ų | 79.9 | 63% | 0.63 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 159.2 | 173.4 | -28.4 | 36.3 | 0 | 0 | 0 | 114.8 | R263 | R263-P294 PolarHBondContact NH1-O 3.44Å; R263-P294 PolarHBondContact NH2-O 3.03Å |
| 295 | E | 93.9 | Very high | 88.6 | Confident | 55 Ų | 55 | 78.1 Ų | 78.1 | 26% | 0.257 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 148.7 | 171.5 | -170.1 | 164.7 | 63 | 0 | 0 | 110.4 | K17 K261 W262 | K17-E295 IonicContact NZ-OE2 3.95Å; K261-E295 VanDerWaalsContact CA-OE2 3.23Å; K261-E295 WeakPolarHBondContact CA-OE2 3.43Å; K261-E295 HydrophobicContact CB-CG 4.46Å; K261-E295 HydrophobicContact CD-CB 4.2Å; K261-E295 HydrophobicContact CG-CB 4.26Å; W262-E295 PolarHBondContact N-OE2 2.89Å |
| 296 | E | 92.3 | Very high | 88.5 | Confident | 20 Ų | 20 | 78.6 Ų | 78.6 | 9% | 0.093 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 142.6 | -179.9 | -72 | 157 | -95.3 | 0 | 0 | 111.2 | W251 R263 Q264 Y288 | W251-E296 HydrophobicContact CH2-CB 3.63Å; W251-E296 HydrophobicContact CZ3-CB 3.77Å; R263-E296 VanDerWaalsContact CA-OE1 3.3Å; R263-E296 WeakPolarHBondContact CA-OE1 3.48Å; R263-E296 WeakPolarHBondContact CD-OE1 3.34Å; R263-E296 IonicContact NH1-OE1 3.68Å; Q264-E296 VanDerWaalsContact CB-OE2 3.26Å; Q264-E296 WeakPolarHBondContact CB-OE2 3.44Å; Q264-E296 PolarHBondContact N-OE1 2.85Å; Q264-E296 VanDerWaalsContact N-OE1 3.16Å; Q264-E296 PolarHBondContact N-OE2 2.96Å; Y288-E296 HydrophobicContact CD1-CG 3.5Å; Y288-E296 VanDerWaalsContact CD2-CD 3.42Å; Y288-E296 HydrophobicContact CD2-CG 3.65Å; Y288-E296 HydrophobicContact CE1-CG 3.44Å; Y288-E296 VanDerWaalsContact CE1-CG 3.44Å; Y288-E296 HydrophobicContact CE2-CG 3.59Å; Y288-E296 HydrophobicContact CG-CG 3.61Å; Y288-E296 VanDerWaalsContact CZ-CG 3.49Å |
| 297 | T | 87.6 | Confident | 88.5 | Confident | 115 Ų | 115 | 75.3 Ų | 75.3 | 71% | 0.706 | 42% | 0.419 | S | S | * | . | trans | -90 | 113.3 | -179.6 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | P22 | P22-T297 HydrophobicContact CB-CG2 4.49Š| ||
| 298 | W | 84.4 | Confident | 88.3 | Confident | 40 Ų | 40 | 71.8 Ų | 71.8 | 15% | 0.152 | 41% | 0.405 | C | S | . | . | trans | -96.7 | 146.9 | 171.4 | 173.6 | 89.6 | 0 | 0 | 0 | 111.4 | F19 W251 G300 C301 V305 | F19-W298 AromaticContact CE1-CD2 3.87Å; F19-W298 HydrophobicContact CE1-CD2 3.87Å; F19-W298 AromaticContact CE1-CE3 3.7Å; F19-W298 HydrophobicContact CE1-CE3 3.7Å; F19-W298 HydrophobicContact CE1-CG 4.36Å; F19-W298 HydrophobicContact CE1-CH2 4.32Å; F19-W298 AromaticContact CE1-CZ3 3.94Å; F19-W298 HydrophobicContact CE1-CZ3 3.94Å; F19-W298 HydrophobicContact CZ-CB 4.06Å; F19-W298 AromaticContact CZ-CD2 3.98Å; F19-W298 HydrophobicContact CZ-CD2 3.98Å; F19-W298 HydrophobicContact CZ-CE3 4.19Å; F19-W298 AromaticContact CZ-CG 3.98Å; F19-W298 HydrophobicContact CZ-CG 3.98Å; W251-W298 HydrophobicContact CH2-CB 4.06Å; W251-W298 HydrophobicContact CZ2-CB 3.81Å; W251-W298 AromaticContact CZ2-CD1 3.99Å; W251-W298 HydrophobicContact CZ2-CG 4.27Å; W251-W298 AromaticContact NE1-CD1 3.91Å; W298-G300 VanDerWaalsContact CZ2-CA 3.49Å; W298-G300 WeakPolarHBondContact CZ3-O 3.29Å; W298-C301 VanDerWaalsContact CH2-O 3.26Å; W298-C301 WeakPolarHBondContact CH2-O 3.41Å; W298-V305 HydrophobicContact CH2-CG2 3.39Å; W298-V305 HydrophobicContact CZ2-CG2 3.51Å; W298-V305 HydrophobicContact CZ3-CG2 4.31Å | ||
| 299 | T | 82.1 | Confident | 88.2 | Confident | 136 Ų | 136 | 71.2 Ų | 71.2 | 83% | 0.834 | 41% | 0.413 | S | S | * | . | trans | -131 | 25.7 | -168 | 64.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 300 | G | 81.3 | Confident | 88.2 | Confident | 39 Ų | 39 | 70.1 Ų | 70.1 | 40% | 0.402 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -89 | -173.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | W298 | W298-G300 VanDerWaalsContact CZ2-CA 3.49Å; W298-G300 WeakPolarHBondContact CZ3-O 3.29Å |
| 301 | C | 80.1 | Confident | 88.1 | Confident | 74 Ų | 74 | 64.4 Ų | 64.4 | 50% | 0.5 | 39% | 0.385 | S | S | . | . | trans | -96.6 | 143.5 | 172.3 | -172.4 | 0 | 0 | 0 | 0 | 110.3 | W298 S303 D304 | W298-C301 VanDerWaalsContact CH2-O 3.26Å; W298-C301 WeakPolarHBondContact CH2-O 3.41Å; C301-S303 WeakPolarHBondContact CB-OG 3.36Å; C301-S303 PolarHBondContact O-N 2.71Å; C301-S303 PolarHBondContact SG-OG 2.86Å; C301-D304 WeakPolarHBondContact CB-OD2 3.4Å; C301-D304 PolarHBondContact N-OD2 3.08Å; C301-D304 VanDerWaalsContact O-CB 3.22Å; C301-D304 WeakPolarHBondContact O-CB 3.44Å; C301-D304 PolarHBondContact O-N 2.89Å | ||
| 302 | E | 79.8 | Confident | 88 | Confident | 115 Ų | 115 | 63 Ų | 63 | 54% | 0.537 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -64.9 | -16 | -174.4 | -58.9 | -168.6 | 155.3 | 0 | 0 | 113.4 | S21 D304 | S21-E302 VanDerWaalsContact CB-OE1 3.31Å; S21-E302 WeakPolarHBondContact CB-OE1 3.46Å; S21-E302 PolarHBondContact N-OE1 3.38Å; S21-E302 PolarHBondContact OG-OE1 3.49Å; E302-D304 PolarHBondContact O-N 3.18Å |
| 303 | S | 76.6 | Confident | 88 | Confident | 97 Ų | 97 | 57.9 Ų | 57.9 | 68% | 0.678 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -60.5 | -24.8 | 165.8 | 46.4 | 0 | 0 | 0 | 0 | 114.4 | C301 V305 | C301-S303 WeakPolarHBondContact CB-OG 3.36Å; C301-S303 PolarHBondContact O-N 2.71Å; C301-S303 PolarHBondContact SG-OG 2.86Å; S303-V305 VanDerWaalsContact C-N 3.3Å |
| 304 | D | 82.6 | Confident | 88 | Confident | 109 Ų | 109 | 56.2 Ų | 56.2 | 58% | 0.583 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -91.8 | 2 | -168.7 | -40.4 | -20.7 | 0 | 0 | 0 | 111.2 | C301 E302 | C301-D304 WeakPolarHBondContact CB-OD2 3.4Å; C301-D304 PolarHBondContact N-OD2 3.08Å; C301-D304 VanDerWaalsContact O-CB 3.22Å; C301-D304 WeakPolarHBondContact O-CB 3.44Å; C301-D304 PolarHBondContact O-N 2.89Å; E302-D304 PolarHBondContact O-N 3.18Å |
| 305 | V | 86.9 | Confident | 88.2 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 24% | 0.242 | 31% | 0.311 | C | S | . | . | trans | -103.5 | 102.5 | -173 | -176.1 | 0 | 0 | 0 | 0 | 111 | F19 W298 S303 Y307 | F19-V305 HydrophobicContact CB-CG1 4.19Å; F19-V305 HydrophobicContact CD1-CG1 4Å; F19-V305 HydrophobicContact CD1-CG2 4.05Å; F19-V305 HydrophobicContact CE1-CG2 4.15Å; F19-V305 HydrophobicContact CG-CG1 4.17Å; W298-V305 HydrophobicContact CH2-CG2 3.39Å; W298-V305 HydrophobicContact CZ2-CG2 3.51Å; W298-V305 HydrophobicContact CZ3-CG2 4.31Å; S303-V305 VanDerWaalsContact C-N 3.3Å; V305-Y307 HydrophobicContact CG1-CE2 4.4Å | ||
| 306 | A | 88.1 | Confident | 88.3 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 30% | 0.298 | 30% | 0.299 | S | S | . | . | trans | -99.1 | 133.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A308 F340 F342 | A306-A308 VanDerWaalsContact C-N 3.32Å; A306-A308 PolarHBondContact O-N 2.83Å; A306-F340 HydrophobicContact CB-CE1 4.39Å; A306-F340 HydrophobicContact CB-CE2 3.93Å; A306-F340 HydrophobicContact CB-CZ 3.6Å; A306-F342 HydrophobicContact CB-CZ 3.96Å | ||
| 307 | Y | 90.1 | Very high | 88.5 | Confident | 65 Ų | 65 | 48.4 Ų | 48.4 | 26% | 0.255 | 30% | 0.295 | S | S | . | . | trans | -85.7 | 75.7 | 174.9 | -64.3 | -100.4 | 0 | 0 | 0 | 110 | T18 F19 W262 V305 S348 L349 P350 | T18-Y307 WeakPolarHBondContact CG2-OH 3.43Å; F19-Y307 HydrophobicContact CB-CE1 4.32Å; F19-Y307 WeakPolarHBondContact CB-OH 3.46Å; F19-Y307 PolarHBondContact N-OH 3.42Å; W262-Y307 HydrophobicContact CH2-CE1 4.3Å; V305-Y307 HydrophobicContact CG1-CE2 4.4Å; Y307-S348 WeakPolarHBondContact CB-O 3.47Å; Y307-S348 PolarHBondContact N-O 3.27Å; Y307-S348 VanDerWaalsContact N-O 3.1Å; Y307-L349 WeakPolarHBondContact O-CD2 3.32Å; Y307-P350 WeakPolarHBondContact O-CD 3.3Å | ||
| 308 | A | 90.1 | Very high | 89 | Confident | 35 Ų | 35 | 43 Ų | 43 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | trans | -78.4 | 148 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A306 Y310 Y353 | A306-A308 VanDerWaalsContact C-N 3.32Å; A306-A308 PolarHBondContact O-N 2.83Å; A308-Y310 WeakPolarHBondContact CB-O 3.44Å; A308-Y353 WeakPolarHBondContact CA-OH 3.35Å; A308-Y353 HydrophobicContact CB-CE1 4.4Å | ||
| 309 | S | 90.1 | Very high | 89.5 | Confident | 68 Ų | 68 | 43.9 Ų | 43.9 | 48% | 0.476 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -98.1 | -14.8 | 168.8 | -58.2 | 0 | 0 | 0 | 0 | 112.5 | Y353 | S309-Y353 PolarHBondContact N-OH 3.01Š|
| 310 | Y | 93.5 | Very high | 90 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 8% | 0.082 | 24% | 0.244 | C | C | . | . | trans | -141.8 | 145.8 | -177 | -50.7 | -69.5 | 0 | 0 | 0 | 108.3 | A308 V316 I330 Y353 L372 N374 | A308-Y310 WeakPolarHBondContact CB-O 3.44Å; Y310-V316 HydrophobicContact CD1-CG1 3.6Å; Y310-V316 HydrophobicContact CD2-CG1 4.4Å; Y310-V316 HydrophobicContact CE1-CG1 3.6Å; Y310-V316 HydrophobicContact CE2-CG1 4.39Å; Y310-V316 HydrophobicContact CG-CG1 4.03Å; Y310-I330 HydrophobicContact CG-CG1 4.4Å; Y310-Y353 HydrophobicContact CD2-CD2 4.21Å; Y310-Y353 HydrophobicContact CD2-CE1 4.5Å; Y310-Y353 AromaticContact CD2-CE2 3.93Å; Y310-Y353 HydrophobicContact CD2-CE2 3.93Å; Y310-Y353 VanDerWaalsContact O-CE1 3.31Å; Y310-Y353 WeakPolarHBondContact O-CE1 3.5Å; Y310-L372 HydrophobicContact CD2-CD1 4.3Å; Y310-L372 HydrophobicContact CE2-CB 4.07Å; Y310-L372 HydrophobicContact CE2-CD1 4.16Å; Y310-N374 PolarHBondContact OH-N 2.76Å | ||
| 311 | V | 93.3 | Very high | 90.4 | Very high | 11 Ų | 11 | 48.4 Ų | 48.4 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | trans | -121 | 169.1 | 179.4 | -63.3 | 0 | 0 | 0 | 0 | 109.5 | I250 P271 G313 S314 I330 I412 | I250-V311 HydrophobicContact CD1-CB 4.3Å; I250-V311 HydrophobicContact CD1-CG1 4.07Å; I250-V311 HydrophobicContact CD1-CG2 3.98Å; I250-V311 HydrophobicContact CG1-CG1 4.2Å; P271-V311 HydrophobicContact CG-CG1 3.72Å; P271-V311 HydrophobicContact CG-CG2 4.01Å; V311-G313 PolarHBondContact O-N 2.78Å; V311-S314 WeakPolarHBondContact CG2-OG 3.37Å; V311-S314 PolarHBondContact N-OG 3.43Å; V311-S314 VanDerWaalsContact O-CB 3.3Å; V311-S314 WeakPolarHBondContact O-CB 3.42Å; V311-S314 PolarHBondContact O-N 3.42Å; V311-S314 PolarHBondContact O-OG 2.85Å; V311-I330 WeakPolarHBondContact O-CB 3.46Å; V311-I412 HydrophobicContact CG2-CD1 4.39Å | ||
| 312 | P | 93.7 | Very high | 90.8 | Very high | 7 Ų | 7 | 49 Ų | 49 | 5% | 0.045 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 133.1 | 171.3 | -22.4 | 34.9 | 0 | 0 | 0 | 109.9 | F245 I330 Y339 | F245-P312 HydrophobicContact CE1-CB 3.77Å; F245-P312 WeakPolarHBondContact CE1-O 3.38Å; F245-P312 HydrophobicContact CZ-CB 4.01Å; F245-P312 VanDerWaalsContact CZ-O 3.3Å; F245-P312 WeakPolarHBondContact CZ-O 3.3Å; P312-I330 CarbonylContact C-O 3.11Å; P312-I330 WeakPolarHBondContact CA-O 3.3Å; P312-Y339 HydrophobicContact CG-CD1 3.7Å; P312-Y339 HydrophobicContact CG-CD2 3.99Å; P312-Y339 HydrophobicContact CG-CE1 3.97Å; P312-Y339 HydrophobicContact CG-CE2 4.24Å; P312-Y339 HydrophobicContact CG-CG 3.71Å |
| 313 | G | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -18.3 | -170 | 0 | 0 | 0 | 0 | 0 | 115.5 | V311 I315 I330 R415 V416 | V311-G313 PolarHBondContact O-N 2.78Å; G313-I315 PolarHBondContact O-N 2.74Å; G313-I330 PolarHBondContact N-O 3.24Å; G313-R415 VanDerWaalsContact O-CZ 3.24Å; G313-R415 PolarHBondContact O-NE 3.5Å; G313-R415 PolarHBondContact O-NH2 2.9Å; G313-V416 VanDerWaalsContact CA-CG2 3.45Å |
| 314 | S | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -61.5 | 134.6 | 178.3 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | D270 V311 M329 I330 | D270-S314 PolarHBondContact OD1-OG 2.87Å; D270-S314 WeakPolarHBondContact OD2-CA 3.48Å; V311-S314 WeakPolarHBondContact CG2-OG 3.37Å; V311-S314 PolarHBondContact N-OG 3.43Å; V311-S314 VanDerWaalsContact O-CB 3.3Å; V311-S314 WeakPolarHBondContact O-CB 3.42Å; V311-S314 PolarHBondContact O-N 3.42Å; V311-S314 PolarHBondContact O-OG 2.85Å; S314-M329 CarbonylContact O-C 3.59Å; S314-M329 WeakPolarHBondContact O-CA 3.3Å; S314-I330 PolarHBondContact O-N 3.02Å | ||
| 315 | I | 96.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 131 | -177.6 | -55.8 | -178 | 0 | 0 | 0 | 109.2 | G313 F358 F375 A404 A407 E408 | G313-I315 PolarHBondContact O-N 2.74Å; I315-F358 HydrophobicContact CG2-CE2 4.03Å; I315-F375 HydrophobicContact CB-CB 4.16Å; I315-F375 HydrophobicContact CB-CG 4.39Å; I315-F375 HydrophobicContact CG2-CB 3.71Å; I315-F375 HydrophobicContact CG2-CD1 3.72Å; I315-F375 HydrophobicContact CG2-CD2 3.84Å; I315-F375 HydrophobicContact CG2-CE1 4.27Å; I315-F375 HydrophobicContact CG2-CE2 4.42Å; I315-F375 HydrophobicContact CG2-CG 3.48Å; I315-F375 VanDerWaalsContact CG2-CG 3.48Å; I315-F375 WeakPolarHBondContact O-CB 3.48Å; I315-F375 PolarHBondContact O-N 2.95Å; I315-A404 HydrophobicContact CG2-CB 4.43Å; I315-A407 HydrophobicContact CD1-CB 3.8Å; I315-E408 HydrophobicContact CD1-CB 3.87Å |
| 316 | V | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 154.2 | -172 | -66.2 | 0 | 0 | 0 | 0 | 112.1 | Y310 P327 G328 I330 V355 L372 K373 | Y310-V316 HydrophobicContact CD1-CG1 3.6Å; Y310-V316 HydrophobicContact CD2-CG1 4.4Å; Y310-V316 HydrophobicContact CE1-CG1 3.6Å; Y310-V316 HydrophobicContact CE2-CG1 4.39Å; Y310-V316 HydrophobicContact CG-CG1 4.03Å; V316-P327 WeakPolarHBondContact O-CA 3.1Å; V316-G328 PolarHBondContact N-O 2.9Å; V316-G328 PolarHBondContact O-N 2.83Å; V316-G328 VanDerWaalsContact O-O 3.1Å; V316-I330 HydrophobicContact CG1-CD1 4.15Å; V316-I330 HydrophobicContact CG1-CG1 4.13Å; V316-I330 HydrophobicContact CG2-CD1 3.7Å; V316-I330 HydrophobicContact CG2-CG1 4.32Å; V316-V355 HydrophobicContact CG2-CG1 4.17Å; V316-L372 HydrophobicContact CG2-CD2 4.16Å; V316-K373 WeakPolarHBondContact CA-O 3.36Å; V316-K373 WeakPolarHBondContact CB-O 3.22Å |
| 317 | W | 97.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 121.3 | 157.2 | -69 | 101 | 0 | 0 | 0 | 109 | W325 P327 L372 K373 F375 L378 V383 L397 I401 | W317-W325 HydrophobicContact CB-CE3 3.89Å; W317-W325 HydrophobicContact CE3-CB 4.09Å; W317-W325 WeakPolarHBondContact O-CZ3 3.49Å; W317-P327 HydrophobicContact CE3-CB 4.27Å; W317-P327 HydrophobicContact CZ3-CB 4.24Å; W317-P327 HydrophobicContact CZ3-CG 4.31Å; W317-L372 WeakPolarHBondContact O-CA 3.45Å; W317-K373 HydrophobicContact CB-CB 4.22Å; W317-K373 PolarHBondContact N-O 3.27Å; W317-K373 PolarHBondContact O-N 3.25Å; W317-F375 VanDerWaalsContact CD1-CA 3.49Å; W317-F375 AromaticContact CD1-CD2 3.93Å; W317-F375 HydrophobicContact CD2-CD2 4.33Å; W317-F375 AromaticContact CE2-CD2 3.72Å; W317-F375 AromaticContact CE2-CE2 3.78Å; W317-F375 HydrophobicContact CG-CD2 4.44Å; W317-F375 HydrophobicContact CZ2-CD2 4.19Å; W317-F375 AromaticContact CZ2-CE2 3.76Å; W317-F375 HydrophobicContact CZ2-CE2 3.76Å; W317-F375 AromaticContact NE1-CD2 3.39Å; W317-F375 AromaticContact NE1-CE2 3.88Å; W317-F375 PolarHBondContact NE1-O 3.01Å; W317-L378 HydrophobicContact CB-CD1 3.72Å; W317-L378 HydrophobicContact CB-CG 4.45Å; W317-L378 HydrophobicContact CD2-CB 4.29Å; W317-L378 HydrophobicContact CD2-CD1 3.98Å; W317-L378 HydrophobicContact CE3-CD1 4.48Å; W317-L378 HydrophobicContact CG-CB 4.19Å; W317-L378 HydrophobicContact CG-CD1 3.61Å; W317-L378 HydrophobicContact CG-CG 4.07Å; W317-V383 HydrophobicContact CD2-CG2 4.47Å; W317-V383 HydrophobicContact CE3-CG2 4.19Å; W317-V383 HydrophobicContact CH2-CB 4.4Å; W317-V383 HydrophobicContact CH2-CG1 4.21Å; W317-V383 HydrophobicContact CH2-CG2 3.77Å; W317-V383 HydrophobicContact CZ2-CG2 4.11Å; W317-V383 HydrophobicContact CZ3-CB 4.38Å; W317-V383 HydrophobicContact CZ3-CG1 3.79Å; W317-V383 HydrophobicContact CZ3-CG2 3.82Å; W317-L397 HydrophobicContact CZ3-CD1 4.45Å; W317-I401 HydrophobicContact CH2-CD1 3.7Å; W317-I401 HydrophobicContact CH2-CG1 3.64Å; W317-I401 HydrophobicContact CZ3-CD1 4.36Å; W317-I401 HydrophobicContact CZ3-CG1 4.25Å |
| 318 | A | 97.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 140.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | W326 V355 Y357 I367 L372 | A318-W326 PolarHBondContact N-O 3.05Å; A318-W326 PolarHBondContact O-N 2.95Å; A318-V355 HydrophobicContact CB-CG1 4.06Å; A318-V355 HydrophobicContact CB-CG2 4.39Å; A318-Y357 HydrophobicContact CB-CE1 3.74Å; A318-I367 HydrophobicContact CB-CG1 4.31Å; A318-I367 HydrophobicContact CB-CG2 4.35Å; A318-L372 HydrophobicContact CB-CD2 3.86Å |
| 319 | K | 94.6 | Very high | 94 | Very high | 58 Ų | 58 | 36.6 Ų | 36.6 | 25% | 0.252 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 128.2 | 177.8 | -180 | 63.9 | 171.2 | -175.8 | 0 | 110.1 | Y323 W325 M371 | K319-Y323 WeakPolarHBondContact CE-O 3.37Å; K319-Y323 PolarHBondContact NZ-O 3.07Å; K319-W325 HydrophobicContact CB-CD2 3.86Å; K319-W325 HydrophobicContact CB-CE3 3.64Å; K319-W325 HydrophobicContact CB-CH2 3.81Å; K319-W325 HydrophobicContact CB-CZ2 4.02Å; K319-W325 HydrophobicContact CB-CZ3 3.62Å; K319-W325 HydrophobicContact CD-CD2 4.27Å; K319-W325 HydrophobicContact CD-CG 4.36Å; K319-W325 HydrophobicContact CG-CD2 4.46Å; K319-W325 HydrophobicContact CG-CZ2 4.36Å; K319-M371 HydrophobicContact CB-CB 4.02Å; K319-M371 HydrophobicContact CB-CG 4.42Å; K319-M371 HydrophobicContact CG-SD 4.49Å; K319-M371 PolarHBondContact N-O 2.86Å; K319-M371 WeakPolarHBondContact O-CB 3.24Å |
| 320 | Q | 93.6 | Very high | 94.3 | Very high | 79 Ų | 79 | 33.4 Ų | 33.4 | 37% | 0.369 | 17% | 0.165 | S | C | . | . | trans | -120.8 | 144.3 | 170 | -171 | 168.2 | -25.7 | 0 | 0 | 109.7 | G322 Y323 Y357 | Q320-G322 PolarHBondContact O-N 3.46Å; Q320-Y323 HydrophobicContact CB-CD2 4.11Å; Q320-Y323 HydrophobicContact CG-CD2 4.15Å; Q320-Y323 PolarHBondContact O-N 3.33Å; Q320-Y323 VanDerWaalsContact O-N 3.08Å; Q320-Y323 VanDerWaalsContact O-O 3.12Å; Q320-Y357 PolarHBondContact OE1-OH 3.33Å | ||
| 321 | Y | 90 | Very high | 94.4 | Very high | 191 Ų | 191 | 33.2 Ų | 33.2 | 75% | 0.749 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 135.4 | 176 | -71.8 | -76.5 | 0 | 0 | 0 | 110.8 | Y323 M371 | Y321-Y323 VanDerWaalsContact C-N 3.3Å; Y321-Y323 WeakPolarHBondContact O-CD2 3.4Å; Y321-Y323 PolarHBondContact O-N 3.33Å; Y321-M371 HydrophobicContact CD1-CE 4.45Å; Y321-M371 HydrophobicContact CD2-CE 4.18Å; Y321-M371 HydrophobicContact CD2-SD 4.49Å; Y321-M371 HydrophobicContact CE1-CE 3.85Å; Y321-M371 HydrophobicContact CE2-CE 3.54Å; Y321-M371 HydrophobicContact CE2-SD 4.15Å; Y321-M371 WeakPolarHBondContact OH-CE 3.44Å |
| 322 | G | 88.1 | Confident | 94.4 | Very high | 87 Ų | 87 | 34.7 Ų | 34.7 | 90% | 0.897 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | -17.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q320 | Q320-G322 PolarHBondContact O-N 3.46Š|
| 323 | Y | 88.7 | Confident | 94.4 | Very high | 127 Ų | 127 | 34.7 Ų | 34.7 | 50% | 0.498 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -114.5 | 155.8 | -178.3 | -58.5 | -84.3 | 0 | 0 | 0 | 111.3 | K319 Q320 Y321 | K319-Y323 WeakPolarHBondContact CE-O 3.37Å; K319-Y323 PolarHBondContact NZ-O 3.07Å; Q320-Y323 HydrophobicContact CB-CD2 4.11Å; Q320-Y323 HydrophobicContact CG-CD2 4.15Å; Q320-Y323 PolarHBondContact O-N 3.33Å; Q320-Y323 VanDerWaalsContact O-N 3.08Å; Q320-Y323 VanDerWaalsContact O-O 3.12Å; Y321-Y323 VanDerWaalsContact C-N 3.3Å; Y321-Y323 WeakPolarHBondContact O-CD2 3.4Å; Y321-Y323 PolarHBondContact O-N 3.33Å |
| 324 | P | 90.3 | Very high | 94.3 | Very high | 14 Ų | 14 | 38.2 Ų | 38.2 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | trans | -64.5 | -173.7 | 164.6 | 28.7 | -35.4 | 0 | 0 | 0 | 112 | Y393 | P324-Y393 WeakPolarHBondContact CD-OH 3.35Å; P324-Y393 HydrophobicContact CG-CE1 3.54Å; P324-Y393 VanDerWaalsContact CG-OH 3.27Å; P324-Y393 WeakPolarHBondContact CG-OH 3.36Å | ||
| 325 | W | 94.2 | Very high | 94.1 | Very high | 59 Ų | 59 | 43.9 Ų | 43.9 | 22% | 0.223 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 134.2 | 165.4 | -67.3 | 93.6 | 0 | 0 | 0 | 108.7 | W317 K319 M371 K373 L378 V383 | W317-W325 HydrophobicContact CB-CE3 3.89Å; W317-W325 HydrophobicContact CE3-CB 4.09Å; W317-W325 WeakPolarHBondContact O-CZ3 3.49Å; K319-W325 HydrophobicContact CB-CD2 3.86Å; K319-W325 HydrophobicContact CB-CE3 3.64Å; K319-W325 HydrophobicContact CB-CH2 3.81Å; K319-W325 HydrophobicContact CB-CZ2 4.02Å; K319-W325 HydrophobicContact CB-CZ3 3.62Å; K319-W325 HydrophobicContact CD-CD2 4.27Å; K319-W325 HydrophobicContact CD-CG 4.36Å; K319-W325 HydrophobicContact CG-CD2 4.46Å; K319-W325 HydrophobicContact CG-CZ2 4.36Å; W325-M371 WeakPolarHBondContact CZ3-O 3.45Å; W325-K373 HydrophobicContact CE3-CD 4.3Å; W325-K373 HydrophobicContact CH2-CD 3.66Å; W325-K373 HydrophobicContact CH2-CG 3.81Å; W325-K373 HydrophobicContact CZ2-CD 3.92Å; W325-K373 HydrophobicContact CZ3-CB 4.2Å; W325-K373 HydrophobicContact CZ3-CD 3.85Å; W325-K373 HydrophobicContact CZ3-CG 3.85Å; W325-L378 HydrophobicContact CB-CD1 3.81Å; W325-L378 HydrophobicContact CD2-CD1 3.77Å; W325-L378 HydrophobicContact CE3-CD1 4.11Å; W325-L378 HydrophobicContact CG-CD1 3.63Å; W325-V383 HydrophobicContact CB-CG1 4.31Å; W325-V383 WeakPolarHBondContact O-CG1 3.46Å |
| 326 | W | 95.6 | Very high | 93.8 | Very high | 37 Ų | 37 | 48.9 Ų | 48.9 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 139.3 | -178.5 | -163.3 | -84.5 | 0 | 0 | 0 | 109.1 | A318 Y357 F358 Y393 K396 L397 A400 | A318-W326 PolarHBondContact N-O 3.05Å; A318-W326 PolarHBondContact O-N 2.95Å; W326-Y357 HydrophobicContact CB-CD1 4.22Å; W326-Y357 HydrophobicContact CB-CE1 4.24Å; W326-Y357 AromaticContact CD1-CD1 3.63Å; W326-Y357 HydrophobicContact CG-CD1 4.24Å; W326-F358 PolarHBondContact NE1-O 2.73Å; W326-Y393 HydrophobicContact CE3-CE1 4.32Å; W326-Y393 AromaticContact CE3-CZ 3.93Å; W326-Y393 AromaticContact CZ3-CE1 3.73Å; W326-Y393 HydrophobicContact CZ3-CE1 3.73Å; W326-Y393 HydrophobicContact CZ3-CE2 4.13Å; W326-Y393 AromaticContact CZ3-CZ 3.44Å; W326-Y393 VanDerWaalsContact CZ3-CZ 3.44Å; W326-Y393 WeakPolarHBondContact CZ3-OH 3.44Å; W326-K396 VanDerWaalsContact CH2-C 3.49Å; W326-K396 HydrophobicContact CH2-CB 3.88Å; W326-L397 HydrophobicContact CD2-CD1 4.14Å; W326-L397 HydrophobicContact CE3-CB 4.29Å; W326-L397 HydrophobicContact CE3-CD1 3.69Å; W326-L397 HydrophobicContact CH2-CB 4.02Å; W326-L397 HydrophobicContact CZ3-CB 3.66Å; W326-L397 HydrophobicContact CZ3-CD1 3.97Å; W326-L397 HydrophobicContact CZ3-CG 4.36Å; W326-A400 HydrophobicContact CZ2-CB 3.69Å |
| 327 | P | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 140.1 | -178.4 | 32.7 | -35.9 | 0 | 0 | 0 | 110.5 | V316 W317 F358 F375 A400 I401 A404 | V316-P327 WeakPolarHBondContact O-CA 3.1Å; W317-P327 HydrophobicContact CE3-CB 4.27Å; W317-P327 HydrophobicContact CZ3-CB 4.24Å; W317-P327 HydrophobicContact CZ3-CG 4.31Å; P327-F358 HydrophobicContact CB-CD2 4.08Å; P327-F358 HydrophobicContact CG-CB 4.41Å; P327-F358 PolarHBondContact O-N 2.93Å; P327-F375 HydrophobicContact CB-CD2 4.47Å; P327-F375 HydrophobicContact CB-CE2 3.96Å; P327-A400 HydrophobicContact CG-CB 3.84Å; P327-I401 HydrophobicContact CG-CG1 3.93Å; P327-A404 HydrophobicContact CB-CB 3.84Å; P327-A404 HydrophobicContact CG-CB 4.35Å |
| 328 | G | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 172.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V316 T356 F358 | V316-G328 PolarHBondContact N-O 2.9Å; V316-G328 PolarHBondContact O-N 2.83Å; V316-G328 VanDerWaalsContact O-O 3.1Å; G328-T356 CarbonylContact C-O 3.55Å; G328-T356 VanDerWaalsContact CA-O 3.28Å; G328-T356 WeakPolarHBondContact CA-O 3.48Å; G328-F358 VanDerWaalsContact C-CE2 3.4Å; G328-F358 WeakPolarHBondContact O-CE2 3.29Å |
| 329 | M | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.8 | 177.7 | -172.3 | 166.8 | 60.5 | 0 | 0 | 108.3 | S314 V355 T356 F358 R415 V416 F419 | S314-M329 CarbonylContact O-C 3.59Å; S314-M329 WeakPolarHBondContact O-CA 3.3Å; M329-V355 WeakPolarHBondContact O-CA 3.46Å; M329-T356 PolarHBondContact N-O 3.45Å; M329-T356 PolarHBondContact O-N 2.94Å; M329-F358 HydrophobicContact CB-CE2 4.04Å; M329-F358 HydrophobicContact CB-CZ 3.78Å; M329-F358 HydrophobicContact SD-CZ 4.38Å; M329-R415 HydrophobicContact SD-CB 4.35Å; M329-R415 HydrophobicContact SD-CG 4Å; M329-V416 HydrophobicContact CE-CB 4.45Å; M329-V416 HydrophobicContact CE-CG2 4.17Å; M329-V416 HydrophobicContact SD-CG2 4.1Å; M329-F419 HydrophobicContact CE-CB 4.32Å |
| 330 | I | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 132.6 | 169.5 | -56.7 | -46 | 0 | 0 | 0 | 108 | Y310 V311 P312 G313 S314 V316 Y339 Y353 H354 V355 | Y310-I330 HydrophobicContact CG-CG1 4.4Å; V311-I330 WeakPolarHBondContact O-CB 3.46Å; P312-I330 CarbonylContact C-O 3.11Å; P312-I330 WeakPolarHBondContact CA-O 3.3Å; G313-I330 PolarHBondContact N-O 3.24Å; S314-I330 PolarHBondContact O-N 3.02Å; V316-I330 HydrophobicContact CG1-CD1 4.15Å; V316-I330 HydrophobicContact CG1-CG1 4.13Å; V316-I330 HydrophobicContact CG2-CD1 3.7Å; V316-I330 HydrophobicContact CG2-CG1 4.32Å; I330-Y339 HydrophobicContact CG2-CD2 3.82Å; I330-Y353 HydrophobicContact CD1-CG 4.44Å; I330-Y353 HydrophobicContact CG2-CD1 4.09Å; I330-H354 WeakPolarHBondContact CA-O 3.41Å; I330-V355 HydrophobicContact CD1-CG2 3.82Å |
| 331 | E | 95.3 | Very high | 93.2 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | trans | -149.5 | 151.5 | -177.2 | -169.3 | 177.9 | 176.6 | 0 | 0 | 108.6 | D333 H354 T356 V416 G420 F421 | E331-D333 PolarHBondContact O-N 2.69Å; E331-H354 PolarHBondContact N-O 2.92Å; E331-H354 WeakPolarHBondContact O-CB 3.35Å; E331-H354 PolarHBondContact O-ND1 2.64Å; E331-T356 WeakPolarHBondContact OE2-CB 3.16Å; E331-T356 PolarHBondContact OE2-OG1 2.84Å; E331-V416 HydrophobicContact CG-CG1 4.21Å; E331-G420 WeakPolarHBondContact OE1-CA 3.25Å; E331-G420 WeakPolarHBondContact OE2-CA 3.38Å; E331-F421 PolarHBondContact OE1-N 3.5Å; E331-F421 WeakPolarHBondContact OE2-CB 3.16Å; E331-F421 PolarHBondContact OE2-N 3.18Å | ||
| 332 | T | 94 | Very high | 93.3 | Very high | 42 Ų | 42 | 49 Ų | 49 | 26% | 0.258 | 27% | 0.274 | S | S | . | . | trans | -60.5 | 130.5 | 170.4 | -52.2 | 0 | 0 | 0 | 0 | 110.6 | G337 | T332-G337 WeakPolarHBondContact CG2-O 3.43Š| ||
| 333 | D | 94.2 | Very high | 93.4 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | trans | -63.1 | 122.9 | 173.9 | -172.5 | -47.9 | 0 | 0 | 0 | 109.3 | E331 D335 L336 G337 E338 H354 R364 W366 | E331-D333 PolarHBondContact O-N 2.69Å; D333-D335 PolarHBondContact O-N 3.34Å; D333-D335 WeakPolarHBondContact OD1-CB 3.32Å; D333-D335 PolarHBondContact OD1-N 3.48Å; D333-L336 HydrophobicContact CB-CB 4.15Å; D333-L336 PolarHBondContact O-N 2.85Å; D333-L336 PolarHBondContact OD1-N 3.08Å; D333-G337 WeakPolarHBondContact O-CA 3.5Å; D333-G337 PolarHBondContact O-N 3.39Å; D333-E338 VanDerWaalsContact CB-O 3.3Å; D333-E338 WeakPolarHBondContact CB-O 3.34Å; D333-E338 PolarHBondContact N-O 3.42Å; D333-H354 HydrophobicContact CB-CB 4.29Å; D333-H354 IonicContact OD2-CD2 3Å; D333-H354 PolarHBondContact OD2-CD2 2.76Å; D333-H354 VanDerWaalsContact OD2-CD2 3.25Å; D333-H354 IonicContact OD2-NE2 2.71Å; D333-R364 IonicContact OD1-NH1 3.88Å; D333-R364 PolarHBondContact OD1-NH1 2.87Å; D333-R364 IonicContact OD2-NH1 3.2Å; D333-R364 PolarHBondContact OD2-NH1 3.1Å; D333-W366 HydrophobicContact CB-CZ2 3.75Å; D333-W366 PolarHBondContact OD2-NE1 2.95Å | ||
| 334 | P | 90.8 | Very high | 93.5 | Very high | 74 Ų | 74 | 45.4 Ų | 45.4 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.4 | -176.2 | 29.9 | -37.6 | 0 | 0 | 0 | 114.1 | R364 F421 | P334-R364 VanDerWaalsContact CG-CZ 3.47Å; P334-F421 HydrophobicContact CG-CD1 3.96Å; P334-F421 HydrophobicContact CG-CE1 4.15Å |
| 335 | D | 91.4 | Very high | 92.9 | Very high | 119 Ų | 119 | 53.1 Ų | 53.1 | 64% | 0.636 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -40.8 | 177.6 | -44.6 | -39.5 | 0 | 0 | 0 | 111.4 | D333 R364 | D333-D335 PolarHBondContact O-N 3.34Å; D333-D335 WeakPolarHBondContact OD1-CB 3.32Å; D333-D335 PolarHBondContact OD1-N 3.48Å; D335-R364 IonicContact OD1-CZ 2.7Å; D335-R364 IonicContact OD1-NH1 3.06Å; D335-R364 IonicContact OD1-NH2 3.99Å; D335-R364 PolarHBondContact OD1-NH2 3.05Å; D335-R364 IonicContact OD2-CZ 3.9Å; D335-R364 IonicContact OD2-NH1 3.5Å; D335-R364 PolarHBondContact OD2-NH1 2.83Å; D335-R364 IonicContact OD2-NH2 2.77Å; D335-R364 PolarHBondContact OD2-NH2 3.01Å |
| 336 | L | 91.1 | Very high | 92.3 | Very high | 112 Ų | 112 | 57 Ų | 57 | 59% | 0.586 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -26.7 | -174.5 | -67.7 | 172.8 | 0 | 0 | 0 | 114.2 | D333 E338 W366 | D333-L336 HydrophobicContact CB-CB 4.15Å; D333-L336 PolarHBondContact O-N 2.85Å; D333-L336 PolarHBondContact OD1-N 3.08Å; L336-E338 VanDerWaalsContact C-N 3.28Å; L336-W366 HydrophobicContact CD1-CZ2 3.83Å |
| 337 | G | 90.5 | Very high | 91.8 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 52% | 0.515 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 80 | 3.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T332 D333 | T332-G337 WeakPolarHBondContact CG2-O 3.43Å; D333-G337 WeakPolarHBondContact O-CA 3.5Å; D333-G337 PolarHBondContact O-N 3.39Å |
| 338 | E | 91.8 | Very high | 91.1 | Very high | 95 Ų | 95 | 61.3 Ų | 61.3 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | trans | -114.1 | 147.8 | -178.5 | -67.6 | -59.5 | 160.7 | 0 | 0 | 112.3 | D333 L336 W366 | D333-E338 VanDerWaalsContact CB-O 3.3Å; D333-E338 WeakPolarHBondContact CB-O 3.34Å; D333-E338 PolarHBondContact N-O 3.42Å; L336-E338 VanDerWaalsContact C-N 3.28Å; E338-W366 HydrophobicContact CB-CH2 4.35Å | ||
| 339 | Y | 93.9 | Very high | 90.7 | Very high | 16 Ų | 16 | 66.5 Ų | 66.5 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -106.9 | -9.1 | 175.7 | 71.7 | -83.9 | 0 | 0 | 0 | 114.1 | P312 I330 Y353 H354 | P312-Y339 HydrophobicContact CG-CD1 3.7Å; P312-Y339 HydrophobicContact CG-CD2 3.99Å; P312-Y339 HydrophobicContact CG-CE1 3.97Å; P312-Y339 HydrophobicContact CG-CE2 4.24Å; P312-Y339 HydrophobicContact CG-CG 3.71Å; I330-Y339 HydrophobicContact CG2-CD2 3.82Å; Y339-Y353 HydrophobicContact CD2-CD1 4.19Å; Y339-Y353 HydrophobicContact CD2-CE1 4.49Å; Y339-Y353 HydrophobicContact CE2-CE1 4.37Å; Y339-Y353 CarbonylContact O-C 3.53Å; Y339-Y353 WeakPolarHBondContact O-CA 3.45Å; Y339-H354 PolarHBondContact O-N 3.21Å |
| 340 | F | 94.9 | Very high | 90.5 | Very high | 28 Ų | 28 | 67 Ų | 67 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 161 | 178.1 | 70.7 | -90.7 | 0 | 0 | 0 | 111.8 | A306 F342 P350 K352 Y353 | A306-F340 HydrophobicContact CB-CE1 4.39Å; A306-F340 HydrophobicContact CB-CE2 3.93Å; A306-F340 HydrophobicContact CB-CZ 3.6Å; F340-F342 HydrophobicContact CD2-CE2 4.44Å; F340-F342 HydrophobicContact CD2-CZ 4.36Å; F340-F342 HydrophobicContact CE2-CD2 4.29Å; F340-F342 HydrophobicContact CE2-CE1 4.28Å; F340-F342 AromaticContact CE2-CE2 3.64Å; F340-F342 HydrophobicContact CE2-CE2 3.64Å; F340-F342 AromaticContact CE2-CZ 3.62Å; F340-F342 HydrophobicContact CE2-CZ 3.62Å; F340-P350 HydrophobicContact CB-CB 3.93Å; F340-P350 HydrophobicContact CB-CG 4.15Å; F340-P350 HydrophobicContact CD2-CB 3.87Å; F340-P350 HydrophobicContact CD2-CG 3.57Å; F340-P350 HydrophobicContact CE2-CG 4.21Å; F340-P350 HydrophobicContact CG-CB 4.21Å; F340-P350 HydrophobicContact CG-CG 3.96Å; F340-K352 CarbonylContact C-O 3.58Å; F340-K352 VanDerWaalsContact CA-O 3.31Å; F340-K352 WeakPolarHBondContact CA-O 3.46Å; F340-Y353 HydrophobicContact CB-CD1 3.75Å; F340-Y353 HydrophobicContact CB-CE1 3.9Å; F340-Y353 HydrophobicContact CB-CG 4.34Å |
| 341 | L | 93.8 | Very high | 90.5 | Very high | 66 Ų | 66 | 68.7 Ų | 68.7 | 35% | 0.346 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 135.4 | 175.1 | -69 | 169.3 | 0 | 0 | 0 | 110.5 | S351 K352 W366 | L341-S351 WeakPolarHBondContact O-CA 3.33Å; L341-S351 WeakPolarHBondContact O-CB 3.26Å; L341-S351 PolarHBondContact O-N 2.92Å; L341-K352 HydrophobicContact CB-CB 4.49Å; L341-K352 PolarHBondContact N-O 2.84Å; L341-K352 PolarHBondContact O-N 3.44Å; L341-W366 HydrophobicContact CB-CZ3 4.21Å; L341-W366 HydrophobicContact CD1-CD2 3.95Å; L341-W366 HydrophobicContact CD1-CE3 3.73Å; L341-W366 HydrophobicContact CD1-CH2 3.98Å; L341-W366 HydrophobicContact CD1-CZ2 4.19Å; L341-W366 HydrophobicContact CD1-CZ3 3.75Å; L341-W366 HydrophobicContact CD2-CH2 4.48Å; L341-W366 HydrophobicContact CG-CE3 4.04Å; L341-W366 HydrophobicContact CG-CH2 3.72Å; L341-W366 HydrophobicContact CG-CZ2 4.37Å; L341-W366 HydrophobicContact CG-CZ3 3.55Å |
| 342 | F | 93.1 | Very high | 90.5 | Very high | 79 Ų | 79 | 72 Ų | 72 | 35% | 0.346 | 40% | 0.401 | S | S | . | . | trans | -77.3 | 168.3 | 166.9 | -60.5 | -65.1 | 0 | 0 | 0 | 111.6 | A306 F340 S344 D347 L349 P350 | A306-F342 HydrophobicContact CB-CZ 3.96Å; F340-F342 HydrophobicContact CD2-CE2 4.44Å; F340-F342 HydrophobicContact CD2-CZ 4.36Å; F340-F342 HydrophobicContact CE2-CD2 4.29Å; F340-F342 HydrophobicContact CE2-CE1 4.28Å; F340-F342 AromaticContact CE2-CE2 3.64Å; F340-F342 HydrophobicContact CE2-CE2 3.64Å; F340-F342 AromaticContact CE2-CZ 3.62Å; F340-F342 HydrophobicContact CE2-CZ 3.62Å; F342-S344 WeakPolarHBondContact CB-O 3.35Å; F342-D347 HydrophobicContact CB-CB 4.22Å; F342-D347 HydrophobicContact CD1-CB 3.93Å; F342-D347 VanDerWaalsContact CD1-O 3.25Å; F342-D347 WeakPolarHBondContact CD1-O 3.31Å; F342-D347 VanDerWaalsContact CE1-O 3.25Å; F342-D347 WeakPolarHBondContact CE1-O 3.47Å; F342-D347 HydrophobicContact CG-CB 4.41Å; F342-L349 WeakPolarHBondContact CD1-O 3.31Å; F342-P350 HydrophobicContact CE1-CG 4.1Å | ||
| 343 | S | 90.7 | Very high | 90.7 | Very high | 94 Ų | 94 | 70.1 Ų | 70.1 | 66% | 0.657 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -97.4 | -24.6 | 167.8 | -81.5 | 0 | 0 | 0 | 0 | 112.6 | D347 S351 | S343-D347 VanDerWaalsContact CA-OD2 3.29Å; S343-D347 WeakPolarHBondContact CA-OD2 3.41Å; S343-D347 VanDerWaalsContact CB-OD2 3.3Å; S343-D347 WeakPolarHBondContact CB-OD2 3.5Å; S343-D347 PolarHBondContact N-OD2 2.9Å; S343-S351 VanDerWaalsContact OG-CB 3.25Å; S343-S351 WeakPolarHBondContact OG-CB 3.27Å; S343-S351 PolarHBondContact OG-OG 3.03Å |
| 344 | S | 89.7 | Confident | 90.9 | Very high | 44 Ų | 44 | 69.8 Ų | 69.8 | 31% | 0.308 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -140.1 | 152.8 | 175 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | F342 L346 D347 | F342-S344 WeakPolarHBondContact CB-O 3.35Å; S344-L346 PolarHBondContact O-N 2.87Å; S344-L346 VanDerWaalsContact O-N 3.12Å; S344-L346 PolarHBondContact OG-N 2.87Å; S344-D347 PolarHBondContact N-OD2 2.71Å; S344-D347 WeakPolarHBondContact O-CB 3.34Å; S344-D347 PolarHBondContact O-N 2.98Å; S344-D347 VanDerWaalsContact O-N 3.07Å |
| 345 | H | 77.1 | Confident | 91.2 | Very high | 176 Ų | 176 | 66.3 Ų | 66.3 | 82% | 0.815 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -6.1 | 169.4 | 58.8 | -93.3 | 0 | 0 | 0 | 113.1 | ||
| 346 | L | 82.3 | Confident | 91.5 | Very high | 140 Ų | 140 | 60.6 Ų | 60.6 | 73% | 0.733 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -4.8 | 173.8 | -54.9 | 177.7 | 0 | 0 | 0 | 113.1 | S344 | S344-L346 PolarHBondContact O-N 2.87Å; S344-L346 VanDerWaalsContact O-N 3.12Å; S344-L346 PolarHBondContact OG-N 2.87Å |
| 347 | D | 84.9 | Confident | 91.8 | Very high | 61 Ų | 61 | 56 Ų | 56 | 33% | 0.326 | 31% | 0.309 | S | S | . | . | trans | -80.9 | 124.6 | 178.8 | -60.8 | -26 | 0 | 0 | 0 | 110 | F342 S343 S344 | F342-D347 HydrophobicContact CB-CB 4.22Å; F342-D347 HydrophobicContact CD1-CB 3.93Å; F342-D347 VanDerWaalsContact CD1-O 3.25Å; F342-D347 WeakPolarHBondContact CD1-O 3.31Å; F342-D347 VanDerWaalsContact CE1-O 3.25Å; F342-D347 WeakPolarHBondContact CE1-O 3.47Å; F342-D347 HydrophobicContact CG-CB 4.41Å; S343-D347 VanDerWaalsContact CA-OD2 3.29Å; S343-D347 WeakPolarHBondContact CA-OD2 3.41Å; S343-D347 VanDerWaalsContact CB-OD2 3.3Å; S343-D347 WeakPolarHBondContact CB-OD2 3.5Å; S343-D347 PolarHBondContact N-OD2 2.9Å; S344-D347 PolarHBondContact N-OD2 2.71Å; S344-D347 WeakPolarHBondContact O-CB 3.34Å; S344-D347 PolarHBondContact O-N 2.98Å; S344-D347 VanDerWaalsContact O-N 3.07Å | ||
| 348 | S | 82.2 | Confident | 92.1 | Very high | 68 Ų | 68 | 53.8 Ų | 53.8 | 48% | 0.476 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -83.7 | -14.8 | 172.1 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | Y307 | Y307-S348 WeakPolarHBondContact CB-O 3.47Å; Y307-S348 PolarHBondContact N-O 3.27Å; Y307-S348 VanDerWaalsContact N-O 3.1Å |
| 349 | L | 89.6 | Confident | 92.1 | Very high | 108 Ų | 108 | 49.4 Ų | 49.4 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -113.9 | 130.5 | -177.6 | -66.3 | 169.6 | 0 | 0 | 0 | 109.9 | Y307 F342 | Y307-L349 WeakPolarHBondContact O-CD2 3.32Å; F342-L349 WeakPolarHBondContact CD1-O 3.31Å |
| 350 | P | 93.3 | Very high | 91.9 | Very high | 10 Ų | 10 | 55.3 Ų | 55.3 | 7% | 0.065 | 29% | 0.294 | C | S | . | . | trans | -59.4 | 145.3 | 176.2 | -26.9 | 36.1 | 0 | 0 | 0 | 113.9 | Y307 F340 F342 Y353 V369 | Y307-P350 WeakPolarHBondContact O-CD 3.3Å; F340-P350 HydrophobicContact CB-CB 3.93Å; F340-P350 HydrophobicContact CB-CG 4.15Å; F340-P350 HydrophobicContact CD2-CB 3.87Å; F340-P350 HydrophobicContact CD2-CG 3.57Å; F340-P350 HydrophobicContact CE2-CG 4.21Å; F340-P350 HydrophobicContact CG-CB 4.21Å; F340-P350 HydrophobicContact CG-CG 3.96Å; F342-P350 HydrophobicContact CE1-CG 4.1Å; P350-Y353 HydrophobicContact CB-CE1 4.45Å; P350-Y353 HydrophobicContact CB-CE2 3.94Å; P350-Y353 HydrophobicContact CG-CE1 4.47Å; P350-V369 VanDerWaalsContact O-CG2 3.24Å; P350-V369 WeakPolarHBondContact O-CG2 3.4Å | ||
| 351 | S | 95.3 | Very high | 91.6 | Very high | 37 Ų | 37 | 63.7 Ų | 63.7 | 26% | 0.259 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -95 | -32.7 | 179.6 | 179.1 | 0 | 0 | 0 | 0 | 112.5 | L341 S343 P368 V369 | L341-S351 WeakPolarHBondContact O-CA 3.33Å; L341-S351 WeakPolarHBondContact O-CB 3.26Å; L341-S351 PolarHBondContact O-N 2.92Å; S343-S351 VanDerWaalsContact OG-CB 3.25Å; S343-S351 WeakPolarHBondContact OG-CB 3.27Å; S343-S351 PolarHBondContact OG-OG 3.03Å; S351-P368 CarbonylContact O-C 3.59Å; S351-P368 WeakPolarHBondContact O-CA 3.38Å; S351-V369 PolarHBondContact O-N 2.78Å |
| 352 | K | 96.8 | Very high | 91.5 | Very high | 86 Ų | 86 | 61.9 Ų | 61.9 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 155.1 | 174.8 | -55.7 | 173.9 | -173.4 | 168.7 | 0 | 110.9 | F340 L341 W366 I367 | F340-K352 CarbonylContact C-O 3.58Å; F340-K352 VanDerWaalsContact CA-O 3.31Å; F340-K352 WeakPolarHBondContact CA-O 3.46Å; L341-K352 HydrophobicContact CB-CB 4.49Å; L341-K352 PolarHBondContact N-O 2.84Å; L341-K352 PolarHBondContact O-N 3.44Å; K352-W366 HydrophobicContact CB-CE3 4.1Å; K352-I367 VanDerWaalsContact CA-O 3.27Å; K352-I367 WeakPolarHBondContact CA-O 3.44Å |
| 353 | Y | 97.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 153.1 | 163.8 | -65.1 | -101.3 | 0 | 0 | 0 | 110.3 | A308 S309 Y310 I330 Y339 F340 P350 I367 V369 L372 | A308-Y353 WeakPolarHBondContact CA-OH 3.35Å; A308-Y353 HydrophobicContact CB-CE1 4.4Å; S309-Y353 PolarHBondContact N-OH 3.01Å; Y310-Y353 HydrophobicContact CD2-CD2 4.21Å; Y310-Y353 HydrophobicContact CD2-CE1 4.5Å; Y310-Y353 AromaticContact CD2-CE2 3.93Å; Y310-Y353 HydrophobicContact CD2-CE2 3.93Å; Y310-Y353 VanDerWaalsContact O-CE1 3.31Å; Y310-Y353 WeakPolarHBondContact O-CE1 3.5Å; I330-Y353 HydrophobicContact CD1-CG 4.44Å; I330-Y353 HydrophobicContact CG2-CD1 4.09Å; Y339-Y353 HydrophobicContact CD2-CD1 4.19Å; Y339-Y353 HydrophobicContact CD2-CE1 4.49Å; Y339-Y353 HydrophobicContact CE2-CE1 4.37Å; Y339-Y353 CarbonylContact O-C 3.53Å; Y339-Y353 WeakPolarHBondContact O-CA 3.45Å; F340-Y353 HydrophobicContact CB-CD1 3.75Å; F340-Y353 HydrophobicContact CB-CE1 3.9Å; F340-Y353 HydrophobicContact CB-CG 4.34Å; P350-Y353 HydrophobicContact CB-CE1 4.45Å; P350-Y353 HydrophobicContact CB-CE2 3.94Å; P350-Y353 HydrophobicContact CG-CE1 4.47Å; Y353-I367 PolarHBondContact N-O 3.44Å; Y353-I367 PolarHBondContact O-N 2.9Å; Y353-V369 HydrophobicContact CD2-CG2 3.77Å; Y353-V369 HydrophobicContact CE2-CG2 3.52Å; Y353-L372 HydrophobicContact CD2-CD1 3.56Å; Y353-L372 HydrophobicContact CE2-CD1 4.45Å; Y353-L372 HydrophobicContact CG-CD1 4.09Å |
| 354 | H | 97.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 126.2 | 169.3 | 177.2 | -92.2 | 0 | 0 | 0 | 109.4 | I330 E331 D333 Y339 R364 W366 | I330-H354 WeakPolarHBondContact CA-O 3.41Å; E331-H354 PolarHBondContact N-O 2.92Å; E331-H354 WeakPolarHBondContact O-CB 3.35Å; E331-H354 PolarHBondContact O-ND1 2.64Å; D333-H354 HydrophobicContact CB-CB 4.29Å; D333-H354 IonicContact OD2-CD2 3Å; D333-H354 PolarHBondContact OD2-CD2 2.76Å; D333-H354 VanDerWaalsContact OD2-CD2 3.25Å; D333-H354 IonicContact OD2-NE2 2.71Å; Y339-H354 PolarHBondContact O-N 3.21Å; H354-R364 WeakPolarHBondContact NE2-CB 3.3Å; H354-R364 VanDerWaalsContact NE2-CD 3.33Å; H354-R364 WeakPolarHBondContact NE2-CD 3.4Å; H354-W366 HydrophobicContact CB-CD2 4.01Å; H354-W366 HydrophobicContact CB-CE3 3.98Å; H354-W366 HydrophobicContact CB-CH2 3.75Å; H354-W366 HydrophobicContact CB-CZ2 3.76Å; H354-W366 HydrophobicContact CB-CZ3 3.84Å; H354-W366 AromaticContact CD2-NE1 3.78Å |
| 355 | V | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.3 | -174.5 | -170.4 | 0 | 0 | 0 | 0 | 109.7 | V316 A318 M329 I330 R364 A365 I367 L372 | V316-V355 HydrophobicContact CG2-CG1 4.17Å; A318-V355 HydrophobicContact CB-CG1 4.06Å; A318-V355 HydrophobicContact CB-CG2 4.39Å; M329-V355 WeakPolarHBondContact O-CA 3.46Å; I330-V355 HydrophobicContact CD1-CG2 3.82Å; V355-R364 CarbonylContact O-C 3.6Å; V355-R364 WeakPolarHBondContact O-CA 3.05Å; V355-A365 PolarHBondContact N-O 2.94Å; V355-A365 PolarHBondContact O-N 2.96Å; V355-I367 HydrophobicContact CB-CG1 4.2Å; V355-I367 HydrophobicContact CG2-CB 3.88Å; V355-I367 HydrophobicContact CG2-CG1 3.71Å; V355-L372 HydrophobicContact CG2-CD2 3.91Å |
| 356 | T | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 119.2 | 165.8 | -62.4 | 0 | 0 | 0 | 0 | 109.2 | G328 M329 E331 V362 S363 F421 | G328-T356 CarbonylContact C-O 3.55Å; G328-T356 VanDerWaalsContact CA-O 3.28Å; G328-T356 WeakPolarHBondContact CA-O 3.48Å; M329-T356 PolarHBondContact N-O 3.45Å; M329-T356 PolarHBondContact O-N 2.94Å; E331-T356 WeakPolarHBondContact OE2-CB 3.16Å; E331-T356 PolarHBondContact OE2-OG1 2.84Å; T356-V362 HydrophobicContact CG2-CG2 3.49Å; T356-V362 VanDerWaalsContact CG2-CG2 3.49Å; T356-S363 WeakPolarHBondContact CA-O 3.42Å; T356-F421 HydrophobicContact CG2-CB 3.98Å; T356-F421 HydrophobicContact CG2-CD2 4.44Å |
| 357 | Y | 97.2 | Very high | 93.9 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 6% | 0.063 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 145.9 | -177.3 | -66.9 | -73.9 | 0 | 0 | 0 | 112.7 | A318 Q320 W326 S363 A365 I367 R424 | A318-Y357 HydrophobicContact CB-CE1 3.74Å; Q320-Y357 PolarHBondContact OE1-OH 3.33Å; W326-Y357 HydrophobicContact CB-CD1 4.22Å; W326-Y357 HydrophobicContact CB-CE1 4.24Å; W326-Y357 AromaticContact CD1-CD1 3.63Å; W326-Y357 HydrophobicContact CG-CD1 4.24Å; Y357-S363 WeakPolarHBondContact CD2-OG 3.2Å; Y357-S363 PolarHBondContact N-O 2.92Å; Y357-A365 HydrophobicContact CE2-CB 3.9Å; Y357-I367 WeakPolarHBondContact OH-CD1 3.4Å; Y357-R424 PolarHBondContact O-NH1 2.94Å; Y357-R424 VanDerWaalsContact O-NH1 3.09Å; Y357-R424 PolarHBondContact O-NH2 3.07Å |
| 358 | F | 96.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -80.3 | 158.9 | 170.6 | -66.1 | -74.4 | 0 | 0 | 0 | 111.7 | I315 W326 P327 G328 M329 A400 M403 A404 A407 F419 | I315-F358 HydrophobicContact CG2-CE2 4.03Å; W326-F358 PolarHBondContact NE1-O 2.73Å; P327-F358 HydrophobicContact CB-CD2 4.08Å; P327-F358 HydrophobicContact CG-CB 4.41Å; P327-F358 PolarHBondContact O-N 2.93Å; G328-F358 VanDerWaalsContact C-CE2 3.4Å; G328-F358 WeakPolarHBondContact O-CE2 3.29Å; M329-F358 HydrophobicContact CB-CE2 4.04Å; M329-F358 HydrophobicContact CB-CZ 3.78Å; M329-F358 HydrophobicContact SD-CZ 4.38Å; F358-A400 HydrophobicContact CB-CB 4.15Å; F358-A400 WeakPolarHBondContact CB-O 3.38Å; F358-A400 VanDerWaalsContact O-CB 3.29Å; F358-A400 WeakPolarHBondContact O-CB 3.3Å; F358-M403 HydrophobicContact CB-CB 4.25Å; F358-M403 HydrophobicContact CB-CG 4.34Å; F358-M403 HydrophobicContact CB-SD 4.09Å; F358-M403 HydrophobicContact CD1-CB 4.29Å; F358-M403 HydrophobicContact CD1-CG 3.69Å; F358-M403 HydrophobicContact CD1-SD 3.84Å; F358-M403 HydrophobicContact CE1-CG 4.47Å; F358-M403 HydrophobicContact CG-CG 4.4Å; F358-M403 HydrophobicContact CG-SD 4.46Å; F358-A404 HydrophobicContact CD2-CB 3.59Å; F358-A404 HydrophobicContact CE2-CB 3.76Å; F358-A404 HydrophobicContact CG-CB 4.09Å; F358-A404 HydrophobicContact CZ-CB 4.36Å; F358-A407 HydrophobicContact CE1-CB 3.74Å; F358-A407 HydrophobicContact CZ-CB 3.75Å; F358-F419 HydrophobicContact CD1-CB 4.39Å; F358-F419 HydrophobicContact CE1-CB 3.8Å; F358-F419 HydrophobicContact CE1-CG 4.29Å |
| 359 | G | 93 | Very high | 95.1 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 128.3 | -179.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | R361 M403 R424 | G359-R361 VanDerWaalsContact C-N 3.34Å; G359-R361 PolarHBondContact O-N 3.16Å; G359-M403 PolarHBondContact N-SD 3.08Å; G359-M403 VanDerWaalsContact N-SD 3.39Å; G359-M403 WeakPolarHBondContact O-CE 3.43Å; G359-R424 PolarHBondContact O-NH1 2.92Å |
| 360 | E | 89.3 | Confident | 95.4 | Very high | 139 Ų | 139 | 45.6 Ų | 45.6 | 65% | 0.65 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -51.6 | -44.8 | -176.5 | 177.5 | -167.8 | -153.8 | 0 | 0 | 113.6 | K396 | E360-K396 WeakPolarHBondContact OE2-CE 3.47Å; E360-K396 IonicContact OE2-NZ 2.69Å; E360-K396 PolarHBondContact OE2-NZ 2.99Å |
| 361 | R | 89.1 | Confident | 95.5 | Very high | 204 Ų | 204 | 46.7 Ų | 46.7 | 77% | 0.77 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -110.9 | 133.4 | 174.4 | -65 | -174 | -178.9 | -169.3 | -3.1 | 108.4 | G359 | G359-R361 VanDerWaalsContact C-N 3.34Å; G359-R361 PolarHBondContact O-N 3.16Å |
| 362 | V | 92.2 | Very high | 95.5 | Very high | 28 Ų | 28 | 45.4 Ų | 45.4 | 17% | 0.17 | 23% | 0.229 | C | C | . | . | trans | -76.3 | 138.3 | 173.2 | 72.3 | 0 | 0 | 0 | 0 | 110.3 | T356 F421 R424 Y425 | T356-V362 HydrophobicContact CG2-CG2 3.49Å; T356-V362 VanDerWaalsContact CG2-CG2 3.49Å; V362-F421 HydrophobicContact CG1-CD2 4.31Å; V362-F421 HydrophobicContact CG1-CE2 4.28Å; V362-F421 HydrophobicContact CG2-CD2 3.85Å; V362-R424 HydrophobicContact CB-CB 3.87Å; V362-R424 HydrophobicContact CG1-CB 4.05Å; V362-R424 HydrophobicContact CG2-CB 4.19Å; V362-Y425 HydrophobicContact CG1-CD2 4.2Å | ||
| 363 | S | 94.1 | Very high | 95.4 | Very high | 59 Ų | 59 | 44.1 Ų | 44.1 | 41% | 0.413 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 156.8 | 174.3 | 59.6 | 0 | 0 | 0 | 0 | 108.7 | T356 Y357 | T356-S363 WeakPolarHBondContact CA-O 3.42Å; Y357-S363 WeakPolarHBondContact CD2-OG 3.2Å; Y357-S363 PolarHBondContact N-O 2.92Å |
| 364 | R | 95.4 | Very high | 95.2 | Very high | 75 Ų | 75 | 45.2 Ų | 45.2 | 28% | 0.283 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 150.7 | -176.7 | 63.8 | -176.9 | 170.1 | 99.6 | -2.6 | 112.2 | D333 P334 D335 H354 V355 F421 | D333-R364 IonicContact OD1-NH1 3.88Å; D333-R364 PolarHBondContact OD1-NH1 2.87Å; D333-R364 IonicContact OD2-NH1 3.2Å; D333-R364 PolarHBondContact OD2-NH1 3.1Å; P334-R364 VanDerWaalsContact CG-CZ 3.47Å; D335-R364 IonicContact OD1-CZ 2.7Å; D335-R364 IonicContact OD1-NH1 3.06Å; D335-R364 IonicContact OD1-NH2 3.99Å; D335-R364 PolarHBondContact OD1-NH2 3.05Å; D335-R364 IonicContact OD2-CZ 3.9Å; D335-R364 IonicContact OD2-NH1 3.5Å; D335-R364 PolarHBondContact OD2-NH1 2.83Å; D335-R364 IonicContact OD2-NH2 2.77Å; D335-R364 PolarHBondContact OD2-NH2 3.01Å; H354-R364 WeakPolarHBondContact NE2-CB 3.3Å; H354-R364 VanDerWaalsContact NE2-CD 3.33Å; H354-R364 WeakPolarHBondContact NE2-CD 3.4Å; V355-R364 CarbonylContact O-C 3.6Å; V355-R364 WeakPolarHBondContact O-CA 3.05Å; R364-F421 HydrophobicContact CB-CD2 4.13Å; R364-F421 HydrophobicContact CB-CE2 4.42Å; R364-F421 HydrophobicContact CG-CD2 4.03Å; R364-F421 HydrophobicContact CG-CE2 3.9Å |
| 365 | A | 97.1 | Very high | 95 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 17% | 0.174 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 152.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | V355 Y357 I367 | V355-A365 PolarHBondContact N-O 2.94Å; V355-A365 PolarHBondContact O-N 2.96Å; Y357-A365 HydrophobicContact CE2-CB 3.9Å; A365-I367 HydrophobicContact CB-CD1 3.8Å; A365-I367 HydrophobicContact CB-CG1 4.26Å |
| 366 | W | 97.8 | Very high | 94.6 | Very high | 62 Ų | 62 | 51.7 Ų | 51.7 | 24% | 0.235 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 109 | 170.1 | -77.8 | 95.5 | 0 | 0 | 0 | 111 | D333 L336 E338 L341 K352 H354 | D333-W366 HydrophobicContact CB-CZ2 3.75Å; D333-W366 PolarHBondContact OD2-NE1 2.95Å; L336-W366 HydrophobicContact CD1-CZ2 3.83Å; E338-W366 HydrophobicContact CB-CH2 4.35Å; L341-W366 HydrophobicContact CB-CZ3 4.21Å; L341-W366 HydrophobicContact CD1-CD2 3.95Å; L341-W366 HydrophobicContact CD1-CE3 3.73Å; L341-W366 HydrophobicContact CD1-CH2 3.98Å; L341-W366 HydrophobicContact CD1-CZ2 4.19Å; L341-W366 HydrophobicContact CD1-CZ3 3.75Å; L341-W366 HydrophobicContact CD2-CH2 4.48Å; L341-W366 HydrophobicContact CG-CE3 4.04Å; L341-W366 HydrophobicContact CG-CH2 3.72Å; L341-W366 HydrophobicContact CG-CZ2 4.37Å; L341-W366 HydrophobicContact CG-CZ3 3.55Å; K352-W366 HydrophobicContact CB-CE3 4.1Å; H354-W366 HydrophobicContact CB-CD2 4.01Å; H354-W366 HydrophobicContact CB-CE3 3.98Å; H354-W366 HydrophobicContact CB-CH2 3.75Å; H354-W366 HydrophobicContact CB-CZ2 3.76Å; H354-W366 HydrophobicContact CB-CZ3 3.84Å; H354-W366 AromaticContact CD2-NE1 3.78Å |
| 367 | I | 98.1 | Very high | 94 | Very high | 6 Ų | 6 | 56.4 Ų | 56.4 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.6 | -171.4 | -55.4 | -59.9 | 0 | 0 | 0 | 110.8 | A318 K352 Y353 V355 Y357 A365 M371 L372 | A318-I367 HydrophobicContact CB-CG1 4.31Å; A318-I367 HydrophobicContact CB-CG2 4.35Å; K352-I367 VanDerWaalsContact CA-O 3.27Å; K352-I367 WeakPolarHBondContact CA-O 3.44Å; Y353-I367 PolarHBondContact N-O 3.44Å; Y353-I367 PolarHBondContact O-N 2.9Å; V355-I367 HydrophobicContact CB-CG1 4.2Å; V355-I367 HydrophobicContact CG2-CB 3.88Å; V355-I367 HydrophobicContact CG2-CG1 3.71Å; Y357-I367 WeakPolarHBondContact OH-CD1 3.4Å; A365-I367 HydrophobicContact CB-CD1 3.8Å; A365-I367 HydrophobicContact CB-CG1 4.26Å; I367-M371 HydrophobicContact CG2-CB 3.74Å; I367-L372 HydrophobicContact CB-CD2 3.99Å; I367-L372 HydrophobicContact CB-CG 4.47Å; I367-L372 HydrophobicContact CG2-CD2 3.63Å; I367-L372 HydrophobicContact CG2-CG 3.98Å |
| 368 | P | 96.9 | Very high | 93.2 | Very high | 44 Ų | 44 | 56.5 Ų | 56.5 | 29% | 0.286 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 149.1 | 175.3 | -22.2 | 33.4 | 0 | 0 | 0 | 113 | S351 S370 M371 L372 | S351-P368 CarbonylContact O-C 3.59Å; S351-P368 WeakPolarHBondContact O-CA 3.38Å; P368-S370 PolarHBondContact O-N 3.02Å; P368-M371 CarbonylContact O-C 3.56Å; P368-M371 WeakPolarHBondContact O-CA 3.32Å; P368-M371 WeakPolarHBondContact O-CB 3.33Å; P368-M371 PolarHBondContact O-N 2.93Å; P368-L372 PolarHBondContact O-N 3.28Å |
| 369 | V | 95.3 | Very high | 92.1 | Very high | 51 Ų | 51 | 59.6 Ų | 59.6 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -60.2 | -32.3 | 179.7 | 178.2 | 0 | 0 | 0 | 0 | 113.1 | P350 S351 Y353 M371 L372 | P350-V369 VanDerWaalsContact O-CG2 3.24Å; P350-V369 WeakPolarHBondContact O-CG2 3.4Å; S351-V369 PolarHBondContact O-N 2.78Å; Y353-V369 HydrophobicContact CD2-CG2 3.77Å; Y353-V369 HydrophobicContact CE2-CG2 3.52Å; V369-M371 PolarHBondContact O-N 3.16Å; V369-M371 VanDerWaalsContact O-N 3.1Å; V369-L372 PolarHBondContact O-N 3.4Å; V369-L372 VanDerWaalsContact O-N 3.08Å |
| 370 | S | 95.1 | Very high | 91 | Very high | 111 Ų | 111 | 62.6 Ų | 62.6 | 78% | 0.776 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -66.5 | -6.3 | 172.4 | 56.1 | 0 | 0 | 0 | 0 | 114.5 | P368 | P368-S370 PolarHBondContact O-N 3.02Š|
| 371 | M | 96.4 | Very high | 89.7 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 16% | 0.158 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -119.5 | 14.5 | 176.2 | -68.2 | -161.3 | 162.4 | 0 | 0 | 112.5 | K319 Y321 W325 I367 P368 V369 | K319-M371 HydrophobicContact CB-CB 4.02Å; K319-M371 HydrophobicContact CB-CG 4.42Å; K319-M371 HydrophobicContact CG-SD 4.49Å; K319-M371 PolarHBondContact N-O 2.86Å; K319-M371 WeakPolarHBondContact O-CB 3.24Å; Y321-M371 HydrophobicContact CD1-CE 4.45Å; Y321-M371 HydrophobicContact CD2-CE 4.18Å; Y321-M371 HydrophobicContact CD2-SD 4.49Å; Y321-M371 HydrophobicContact CE1-CE 3.85Å; Y321-M371 HydrophobicContact CE2-CE 3.54Å; Y321-M371 HydrophobicContact CE2-SD 4.15Å; Y321-M371 WeakPolarHBondContact OH-CE 3.44Å; W325-M371 WeakPolarHBondContact CZ3-O 3.45Å; I367-M371 HydrophobicContact CG2-CB 3.74Å; P368-M371 CarbonylContact O-C 3.56Å; P368-M371 WeakPolarHBondContact O-CA 3.32Å; P368-M371 WeakPolarHBondContact O-CB 3.33Å; P368-M371 PolarHBondContact O-N 2.93Å; V369-M371 PolarHBondContact O-N 3.16Å; V369-M371 VanDerWaalsContact O-N 3.1Å |
| 372 | L | 96.1 | Very high | 88.7 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 149.1 | 170.6 | -64 | 176.1 | 0 | 0 | 0 | 110.3 | Y310 V316 W317 A318 Y353 V355 I367 P368 V369 | Y310-L372 HydrophobicContact CD2-CD1 4.3Å; Y310-L372 HydrophobicContact CE2-CB 4.07Å; Y310-L372 HydrophobicContact CE2-CD1 4.16Å; V316-L372 HydrophobicContact CG2-CD2 4.16Å; W317-L372 WeakPolarHBondContact O-CA 3.45Å; A318-L372 HydrophobicContact CB-CD2 3.86Å; Y353-L372 HydrophobicContact CD2-CD1 3.56Å; Y353-L372 HydrophobicContact CE2-CD1 4.45Å; Y353-L372 HydrophobicContact CG-CD1 4.09Å; V355-L372 HydrophobicContact CG2-CD2 3.91Å; I367-L372 HydrophobicContact CB-CD2 3.99Å; I367-L372 HydrophobicContact CB-CG 4.47Å; I367-L372 HydrophobicContact CG2-CD2 3.63Å; I367-L372 HydrophobicContact CG2-CG 3.98Å; P368-L372 PolarHBondContact O-N 3.28Å; V369-L372 PolarHBondContact O-N 3.4Å; V369-L372 VanDerWaalsContact O-N 3.08Å |
| 373 | K | 94.7 | Very high | 87.4 | Confident | 58 Ų | 58 | 58.4 Ų | 58.4 | 25% | 0.252 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 153 | 171.1 | -76.9 | 175.8 | 156.7 | -81.9 | 0 | 109.2 | V316 W317 W325 E377 L378 | V316-K373 WeakPolarHBondContact CA-O 3.36Å; V316-K373 WeakPolarHBondContact CB-O 3.22Å; W317-K373 HydrophobicContact CB-CB 4.22Å; W317-K373 PolarHBondContact N-O 3.27Å; W317-K373 PolarHBondContact O-N 3.25Å; W325-K373 HydrophobicContact CE3-CD 4.3Å; W325-K373 HydrophobicContact CH2-CD 3.66Å; W325-K373 HydrophobicContact CH2-CG 3.81Å; W325-K373 HydrophobicContact CZ2-CD 3.92Å; W325-K373 HydrophobicContact CZ3-CB 4.2Å; W325-K373 HydrophobicContact CZ3-CD 3.85Å; W325-K373 HydrophobicContact CZ3-CG 3.85Å; K373-E377 WeakPolarHBondContact CA-OE1 3.23Å; K373-E377 HydrophobicContact CB-CB 4.36Å; K373-E377 WeakPolarHBondContact CG-OE2 3.46Å; K373-E377 IonicContact NZ-OE2 3.85Å; K373-E377 PolarHBondContact NZ-OE2 2.83Å; K373-L378 HydrophobicContact CD-CD1 3.96Å; K373-L378 HydrophobicContact CD-CD2 3.68Å; K373-L378 HydrophobicContact CD-CG 3.88Å |
| 374 | N | 93.2 | Very high | 86 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 13% | 0.134 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 143.3 | 169.2 | -169.5 | -68.9 | 0 | 0 | 0 | 110 | S272 Y310 Q376 E377 | S272-N374 PolarHBondContact O-ND2 3.45Å; Y310-N374 PolarHBondContact OH-N 2.76Å; N374-Q376 PolarHBondContact O-N 3.01Å; N374-Q376 VanDerWaalsContact O-N 3.16Å; N374-Q376 WeakPolarHBondContact OD1-CB 3.4Å; N374-Q376 PolarHBondContact OD1-N 2.84Å; N374-E377 HydrophobicContact CB-CG 4.06Å; N374-E377 PolarHBondContact N-OE1 3.03Å; N374-E377 WeakPolarHBondContact O-CB 3.21Å; N374-E377 PolarHBondContact O-N 3.38Å |
| 375 | F | 92.6 | Very high | 84.3 | Confident | 11 Ų | 11 | 59 Ų | 59 | 5% | 0.048 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -57.1 | -30.9 | 178.9 | -170.3 | -127 | 0 | 0 | 0 | 113.4 | I315 W317 P327 E377 A404 H405 E408 | I315-F375 HydrophobicContact CB-CB 4.16Å; I315-F375 HydrophobicContact CB-CG 4.39Å; I315-F375 HydrophobicContact CG2-CB 3.71Å; I315-F375 HydrophobicContact CG2-CD1 3.72Å; I315-F375 HydrophobicContact CG2-CD2 3.84Å; I315-F375 HydrophobicContact CG2-CE1 4.27Å; I315-F375 HydrophobicContact CG2-CE2 4.42Å; I315-F375 HydrophobicContact CG2-CG 3.48Å; I315-F375 VanDerWaalsContact CG2-CG 3.48Å; I315-F375 WeakPolarHBondContact O-CB 3.48Å; I315-F375 PolarHBondContact O-N 2.95Å; W317-F375 VanDerWaalsContact CD1-CA 3.49Å; W317-F375 AromaticContact CD1-CD2 3.93Å; W317-F375 HydrophobicContact CD2-CD2 4.33Å; W317-F375 AromaticContact CE2-CD2 3.72Å; W317-F375 AromaticContact CE2-CE2 3.78Å; W317-F375 HydrophobicContact CG-CD2 4.44Å; W317-F375 HydrophobicContact CZ2-CD2 4.19Å; W317-F375 AromaticContact CZ2-CE2 3.76Å; W317-F375 HydrophobicContact CZ2-CE2 3.76Å; W317-F375 AromaticContact NE1-CD2 3.39Å; W317-F375 AromaticContact NE1-CE2 3.88Å; W317-F375 PolarHBondContact NE1-O 3.01Å; P327-F375 HydrophobicContact CB-CD2 4.47Å; P327-F375 HydrophobicContact CB-CE2 3.96Å; F375-E377 VanDerWaalsContact C-N 3.33Å; F375-E377 PolarHBondContact O-N 3.29Å; F375-A404 HydrophobicContact CE1-CB 4.22Å; F375-A404 HydrophobicContact CE2-CB 3.8Å; F375-A404 HydrophobicContact CZ-CB 3.53Å; F375-H405 AromaticContact CE1-CE1 3.5Å; F375-H405 VanDerWaalsContact CE1-CE1 3.5Å; F375-H405 WeakPolarHBondContact CE1-CE1 3.35Å; F375-H405 AromaticContact CE1-ND1 3.45Å; F375-H405 WeakPolarHBondContact CE1-ND1 3.36Å; F375-H405 AromaticContact CZ-CE1 3.65Å; F375-H405 AromaticContact CZ-ND1 3.86Å; F375-H405 AromaticContact CZ-NE2 3.91Å; F375-E408 WeakPolarHBondContact CD1-OE1 3.41Å |
| 376 | Q | 88.8 | Confident | 82.2 | Confident | 126 Ų | 126 | 68.3 Ų | 68.3 | 59% | 0.589 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -78.4 | -10.4 | 179.9 | -56.9 | 177.4 | 4.5 | 0 | 0 | 113.8 | N374 | N374-Q376 PolarHBondContact O-N 3.01Å; N374-Q376 VanDerWaalsContact O-N 3.16Å; N374-Q376 WeakPolarHBondContact OD1-CB 3.4Å; N374-Q376 PolarHBondContact OD1-N 2.84Å |
| 377 | E | 84.6 | Confident | 80.2 | Confident | 100 Ų | 100 | 69.8 Ų | 69.8 | 47% | 0.467 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -76.4 | -25.7 | -178.1 | -85.7 | 179.4 | -108 | 0 | 0 | 115.1 | K373 N374 F375 | K373-E377 WeakPolarHBondContact CA-OE1 3.23Å; K373-E377 HydrophobicContact CB-CB 4.36Å; K373-E377 WeakPolarHBondContact CG-OE2 3.46Å; K373-E377 IonicContact NZ-OE2 3.85Å; K373-E377 PolarHBondContact NZ-OE2 2.83Å; N374-E377 HydrophobicContact CB-CG 4.06Å; N374-E377 PolarHBondContact N-OE1 3.03Å; N374-E377 WeakPolarHBondContact O-CB 3.21Å; N374-E377 PolarHBondContact O-N 3.38Å; F375-E377 VanDerWaalsContact C-N 3.33Å; F375-E377 PolarHBondContact O-N 3.29Å |
| 378 | L | 80.6 | Confident | 78 | Confident | 17 Ų | 17 | 70.6 Ų | 70.6 | 9% | 0.089 | 37% | 0.373 | C | S | . | . | trans | -114.5 | 116.9 | -172.5 | -59.1 | -175.2 | 0 | 0 | 0 | 111.5 | W317 W325 K373 L382 V383 | W317-L378 HydrophobicContact CB-CD1 3.72Å; W317-L378 HydrophobicContact CB-CG 4.45Å; W317-L378 HydrophobicContact CD2-CB 4.29Å; W317-L378 HydrophobicContact CD2-CD1 3.98Å; W317-L378 HydrophobicContact CE3-CD1 4.48Å; W317-L378 HydrophobicContact CG-CB 4.19Å; W317-L378 HydrophobicContact CG-CD1 3.61Å; W317-L378 HydrophobicContact CG-CG 4.07Å; W325-L378 HydrophobicContact CB-CD1 3.81Å; W325-L378 HydrophobicContact CD2-CD1 3.77Å; W325-L378 HydrophobicContact CE3-CD1 4.11Å; W325-L378 HydrophobicContact CG-CD1 3.63Å; K373-L378 HydrophobicContact CD-CD1 3.96Å; K373-L378 HydrophobicContact CD-CD2 3.68Å; K373-L378 HydrophobicContact CD-CG 3.88Å; L378-L382 HydrophobicContact CD2-CD2 3.96Å; L378-V383 HydrophobicContact CB-CG2 3.82Å; L378-V383 HydrophobicContact CD1-CG2 3.99Å | ||
| 379 | S | 74.4 | Confident | 76.2 | Confident | 67 Ų | 67 | 80.2 Ų | 80.2 | 47% | 0.469 | 40% | 0.404 | S | S | . | . | trans | -70.7 | 150.7 | 166.3 | 68.3 | 0 | 0 | 0 | 0 | 111.3 | E381 L382 V383 | S379-E381 PolarHBondContact O-N 2.86Å; S379-E381 VanDerWaalsContact O-N 3.13Å; S379-L382 PolarHBondContact O-N 2.9Å; S379-V383 PolarHBondContact O-N 2.82Å | ||
| 380 | L | 69.1 | Low | 75 | Confident | 67 Ų | 67 | 81.9 Ų | 81.9 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -49.8 | -39.9 | 177.7 | -58.7 | 175.2 | 0 | 0 | 0 | 112.6 | L382 V383 R384 I401 | L380-L382 PolarHBondContact O-N 3.1Å; L380-V383 PolarHBondContact O-N 3.36Å; L380-R384 WeakPolarHBondContact O-CB 3.43Å; L380-R384 VanDerWaalsContact O-CG 3.28Å; L380-R384 WeakPolarHBondContact O-CG 3.4Å; L380-R384 PolarHBondContact O-N 2.76Å; L380-I401 HydrophobicContact CD2-CD1 3.9Å; L380-I401 HydrophobicContact CD2-CG2 3.77Å |
| 381 | E | 62.8 | Low | 74.1 | Confident | 158 Ų | 158 | 85.1 Ų | 85.1 | 74% | 0.738 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.5 | -40.7 | -178.9 | -55.9 | -175.6 | 148.3 | 0 | 0 | 112.4 | S379 V383 G385 | S379-E381 PolarHBondContact O-N 2.86Å; S379-E381 VanDerWaalsContact O-N 3.13Å; E381-V383 VanDerWaalsContact C-N 3.34Å; E381-G385 PolarHBondContact O-N 2.87Å |
| 382 | L | 67.6 | Low | 73.5 | Confident | 120 Ų | 120 | 88.3 Ų | 88.3 | 63% | 0.628 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -71.1 | -32.9 | -179.6 | -163.1 | 64.8 | 0 | 0 | 0 | 111.4 | L378 S379 L380 | L378-L382 HydrophobicContact CD2-CD2 3.96Å; S379-L382 PolarHBondContact O-N 2.9Å; L380-L382 PolarHBondContact O-N 3.1Å |
| 383 | V | 66 | Low | 72.9 | Confident | 6 Ų | 6 | 90.6 Ų | 90.6 | 4% | 0.036 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -73.1 | -41.6 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | W317 W325 L378 S379 L380 E381 G385 L397 | W317-V383 HydrophobicContact CD2-CG2 4.47Å; W317-V383 HydrophobicContact CE3-CG2 4.19Å; W317-V383 HydrophobicContact CH2-CB 4.4Å; W317-V383 HydrophobicContact CH2-CG1 4.21Å; W317-V383 HydrophobicContact CH2-CG2 3.77Å; W317-V383 HydrophobicContact CZ2-CG2 4.11Å; W317-V383 HydrophobicContact CZ3-CB 4.38Å; W317-V383 HydrophobicContact CZ3-CG1 3.79Å; W317-V383 HydrophobicContact CZ3-CG2 3.82Å; W325-V383 HydrophobicContact CB-CG1 4.31Å; W325-V383 WeakPolarHBondContact O-CG1 3.46Å; L378-V383 HydrophobicContact CB-CG2 3.82Å; L378-V383 HydrophobicContact CD1-CG2 3.99Å; S379-V383 PolarHBondContact O-N 2.82Å; L380-V383 PolarHBondContact O-N 3.36Å; E381-V383 VanDerWaalsContact C-N 3.34Å; V383-G385 PolarHBondContact O-N 2.83Å; V383-G385 VanDerWaalsContact O-N 3.14Å; V383-L397 HydrophobicContact CG1-CD1 4.41Å; V383-L397 HydrophobicContact CG1-CD2 3.96Å |
| 384 | R | 63.7 | Low | 72.4 | Confident | 110 Ų | 110 | 89.7 Ų | 89.7 | 42% | 0.415 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -66.5 | -8.4 | 176.6 | -70.6 | 171.8 | -176.5 | 163.4 | 4.7 | 113.7 | L380 K386 E398 | L380-R384 WeakPolarHBondContact O-CB 3.43Å; L380-R384 VanDerWaalsContact O-CG 3.28Å; L380-R384 WeakPolarHBondContact O-CG 3.4Å; L380-R384 PolarHBondContact O-N 2.76Å; R384-K386 PolarHBondContact O-N 3.06Å; R384-E398 IonicContact CZ-OE1 3.79Å; R384-E398 VanDerWaalsContact CZ-OE1 3.24Å; R384-E398 IonicContact CZ-OE2 3.64Å; R384-E398 IonicContact NE-OE1 3.24Å; R384-E398 PolarHBondContact NE-OE1 2.73Å; R384-E398 IonicContact NH2-OE1 2.74Å; R384-E398 PolarHBondContact NH2-OE1 3.17Å; R384-E398 IonicContact NH2-OE2 3.25Å; R384-E398 PolarHBondContact NH2-OE2 3.26Å |
| 385 | G | 58.9 | Low | 72.2 | Confident | 37 Ų | 37 | 95.5 Ų | 95.5 | 38% | 0.381 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -54.9 | 113.3 | -172 | 0 | 0 | 0 | 0 | 0 | 116 | E381 V383 T387 | E381-G385 PolarHBondContact O-N 2.87Å; V383-G385 PolarHBondContact O-N 2.83Å; V383-G385 VanDerWaalsContact O-N 3.14Å; G385-T387 PolarHBondContact O-N 3.12Å; G385-T387 PolarHBondContact O-OG1 2.99Å |
| 386 | K | 54.5 | Low | 72.1 | Confident | 216 Ų | 216 | 99.7 Ų | 99.7 | 94% | 0.939 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 54.2 | -14.4 | 165 | -70.9 | -176.6 | 177.6 | 175.3 | 0 | 119.6 | R384 | R384-K386 PolarHBondContact O-N 3.06Š|
| 387 | T | 54.2 | Low | 72.3 | Confident | 92 Ų | 92 | 93.7 Ų | 93.7 | 56% | 0.564 | 45% | 0.452 | S | S | * | . | trans | -91.7 | -34.7 | -169.8 | 49.7 | 0 | 0 | 0 | 0 | 113.8 | G385 R389 | G385-T387 PolarHBondContact O-N 3.12Å; G385-T387 PolarHBondContact O-OG1 2.99Å; T387-R389 PolarHBondContact O-N 2.84Å | ||
| 388 | C | 53.1 | Low | 72.6 | Confident | 23 Ų | 23 | 91.9 Ų | 91.9 | 16% | 0.155 | 44% | 0.444 | C | S | . | . | trans | -95.4 | 74.4 | -165.9 | -62.7 | 0 | 0 | 0 | 0 | 113.1 | N390 Y393 N394 | C388-N390 PolarHBondContact O-N 3.39Å; C388-Y393 HydrophobicContact CB-CD1 4.17Å; C388-N394 VanDerWaalsContact CB-OD1 3.3Å; C388-N394 WeakPolarHBondContact CB-OD1 3.25Å; C388-N394 PolarHBondContact O-ND2 3.46Å | ||
| 389 | R | 58.8 | Low | 73.2 | Confident | 246 Ų | 246 | 93.5 Ų | 93.5 | 93% | 0.928 | 46% | 0.459 | S | S | * | . | trans | -71.8 | -9.5 | 176 | -69.2 | -170 | -178.5 | -167.6 | 0.8 | 115.1 | T387 | T387-R389 PolarHBondContact O-N 2.84Š| ||
| 390 | N | 70.4 | Confident | 74.2 | Confident | 87 Ų | 87 | 90.3 Ų | 90.3 | 47% | 0.465 | 44% | 0.437 | S | S | . | . | trans | -97.5 | 128.7 | -179.6 | -173.4 | -0.3 | 0 | 0 | 0 | 111.3 | C388 D392 Y393 N394 | C388-N390 PolarHBondContact O-N 3.39Å; N390-D392 PolarHBondContact OD1-N 3.22Å; N390-Y393 PolarHBondContact O-N 3.12Å; N390-N394 PolarHBondContact O-N 3.17Å; N390-N394 PolarHBondContact O-ND2 3.39Å | ||
| 391 | K | 76.7 | Confident | 75.4 | Confident | 179 Ų | 179 | 87.5 Ų | 87.5 | 78% | 0.778 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62 | -47.3 | 179.1 | -68.7 | -172.3 | 176 | -173.3 | 0 | 112 | Y393 N394 Q395 | K391-Y393 PolarHBondContact O-N 3.03Å; K391-N394 PolarHBondContact O-N 3.17Å; K391-N394 VanDerWaalsContact O-N 3.13Å; K391-Q395 PolarHBondContact O-N 3.39Å |
| 392 | D | 82.7 | Confident | 76.9 | Confident | 99 Ų | 99 | 82.5 Ų | 82.5 | 53% | 0.529 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.9 | -34.9 | -177.5 | -43 | -14.9 | 0 | 0 | 0 | 111.4 | N390 K396 | N390-D392 PolarHBondContact OD1-N 3.22Å; D392-K396 WeakPolarHBondContact O-CG 3.25Å; D392-K396 PolarHBondContact O-N 3.33Å; D392-K396 VanDerWaalsContact O-N 3.13Å |
| 393 | Y | 82.9 | Confident | 78.3 | Confident | 59 Ų | 59 | 78.8 Ų | 78.8 | 23% | 0.231 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.5 | -47.1 | 177.7 | -170.2 | -83.2 | 0 | 0 | 0 | 111.6 | P324 W326 C388 N390 K391 Q395 K396 L397 | P324-Y393 WeakPolarHBondContact CD-OH 3.35Å; P324-Y393 HydrophobicContact CG-CE1 3.54Å; P324-Y393 VanDerWaalsContact CG-OH 3.27Å; P324-Y393 WeakPolarHBondContact CG-OH 3.36Å; W326-Y393 HydrophobicContact CE3-CE1 4.32Å; W326-Y393 AromaticContact CE3-CZ 3.93Å; W326-Y393 AromaticContact CZ3-CE1 3.73Å; W326-Y393 HydrophobicContact CZ3-CE1 3.73Å; W326-Y393 HydrophobicContact CZ3-CE2 4.13Å; W326-Y393 AromaticContact CZ3-CZ 3.44Å; W326-Y393 VanDerWaalsContact CZ3-CZ 3.44Å; W326-Y393 WeakPolarHBondContact CZ3-OH 3.44Å; C388-Y393 HydrophobicContact CB-CD1 4.17Å; N390-Y393 PolarHBondContact O-N 3.12Å; K391-Y393 PolarHBondContact O-N 3.03Å; Y393-Q395 VanDerWaalsContact C-N 3.34Å; Y393-Q395 PolarHBondContact O-N 2.74Å; Y393-K396 PolarHBondContact O-N 2.83Å; Y393-L397 PolarHBondContact O-N 2.84Å |
| 394 | N | 84.1 | Confident | 79.7 | Confident | 39 Ų | 39 | 78.5 Ų | 78.5 | 21% | 0.209 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 174.9 | -69.2 | -79.3 | 0 | 0 | 0 | 110.5 | C388 N390 K391 K396 L397 E398 | C388-N394 VanDerWaalsContact CB-OD1 3.3Å; C388-N394 WeakPolarHBondContact CB-OD1 3.25Å; C388-N394 PolarHBondContact O-ND2 3.46Å; N390-N394 PolarHBondContact O-N 3.17Å; N390-N394 PolarHBondContact O-ND2 3.39Å; K391-N394 PolarHBondContact O-N 3.17Å; K391-N394 VanDerWaalsContact O-N 3.13Å; N394-K396 VanDerWaalsContact C-N 3.28Å; N394-K396 PolarHBondContact O-N 2.81Å; N394-L397 WeakPolarHBondContact O-CA 3.26Å; N394-L397 WeakPolarHBondContact O-CB 3.49Å; N394-L397 PolarHBondContact O-N 3.08Å; N394-E398 WeakPolarHBondContact O-CG 3.48Å; N394-E398 PolarHBondContact O-N 3.23Å |
| 395 | Q | 89.7 | Confident | 81.2 | Confident | 147 Ų | 147 | 77.2 Ų | 77.2 | 69% | 0.687 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.6 | -38.5 | 178.6 | -170 | 176.7 | 17.4 | 0 | 0 | 112.8 | K391 Y393 A399 | K391-Q395 PolarHBondContact O-N 3.39Å; Y393-Q395 VanDerWaalsContact C-N 3.34Å; Y393-Q395 PolarHBondContact O-N 2.74Å; Q395-A399 WeakPolarHBondContact O-CB 3.25Å; Q395-A399 PolarHBondContact O-N 2.97Å |
| 396 | K | 91.6 | Very high | 83 | Confident | 98 Ų | 98 | 82.2 Ų | 82.2 | 43% | 0.426 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.5 | -35 | 174.8 | -71.5 | -177.4 | 179.7 | -143.4 | 0 | 112.9 | W326 E360 D392 Y393 N394 A400 | W326-K396 VanDerWaalsContact CH2-C 3.49Å; W326-K396 HydrophobicContact CH2-CB 3.88Å; E360-K396 WeakPolarHBondContact OE2-CE 3.47Å; E360-K396 IonicContact OE2-NZ 2.69Å; E360-K396 PolarHBondContact OE2-NZ 2.99Å; D392-K396 WeakPolarHBondContact O-CG 3.25Å; D392-K396 PolarHBondContact O-N 3.33Å; D392-K396 VanDerWaalsContact O-N 3.13Å; Y393-K396 PolarHBondContact O-N 2.83Å; N394-K396 VanDerWaalsContact C-N 3.28Å; N394-K396 PolarHBondContact O-N 2.81Å; K396-A400 WeakPolarHBondContact O-CB 3.29Å; K396-A400 PolarHBondContact O-N 3.46Å |
| 397 | L | 91.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66 | -48.2 | 173.8 | 176.1 | 60.5 | 0 | 0 | 0 | 111.2 | W317 W326 V383 Y393 N394 A399 A400 I401 | W317-L397 HydrophobicContact CZ3-CD1 4.45Å; W326-L397 HydrophobicContact CD2-CD1 4.14Å; W326-L397 HydrophobicContact CE3-CB 4.29Å; W326-L397 HydrophobicContact CE3-CD1 3.69Å; W326-L397 HydrophobicContact CH2-CB 4.02Å; W326-L397 HydrophobicContact CZ3-CB 3.66Å; W326-L397 HydrophobicContact CZ3-CD1 3.97Å; W326-L397 HydrophobicContact CZ3-CG 4.36Å; V383-L397 HydrophobicContact CG1-CD1 4.41Å; V383-L397 HydrophobicContact CG1-CD2 3.96Å; Y393-L397 PolarHBondContact O-N 2.84Å; N394-L397 WeakPolarHBondContact O-CA 3.26Å; N394-L397 WeakPolarHBondContact O-CB 3.49Å; N394-L397 PolarHBondContact O-N 3.08Å; L397-A399 VanDerWaalsContact C-N 3.29Å; L397-A399 PolarHBondContact O-N 3.38Å; L397-A400 WeakPolarHBondContact O-CB 3.46Å; L397-A400 PolarHBondContact O-N 2.8Å; L397-A400 VanDerWaalsContact O-N 3.11Å; L397-I401 HydrophobicContact CD1-CD1 3.81Å; L397-I401 HydrophobicContact CD1-CG1 4.16Å; L397-I401 HydrophobicContact CG-CD1 3.77Å; L397-I401 WeakPolarHBondContact O-CD1 3.31Å; L397-I401 VanDerWaalsContact O-CG1 3.26Å; L397-I401 WeakPolarHBondContact O-CG1 3.2Å; L397-I401 PolarHBondContact O-N 3.02Å |
| 398 | E | 91.4 | Very high | 86.8 | Confident | 63 Ų | 63 | 70.1 Ų | 70.1 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59 | -40.7 | 175.5 | -59.7 | -57.8 | 139.8 | 0 | 0 | 111.5 | R384 N394 I401 A402 | R384-E398 IonicContact CZ-OE1 3.79Å; R384-E398 VanDerWaalsContact CZ-OE1 3.24Å; R384-E398 IonicContact CZ-OE2 3.64Å; R384-E398 IonicContact NE-OE1 3.24Å; R384-E398 PolarHBondContact NE-OE1 2.73Å; R384-E398 IonicContact NH2-OE1 2.74Å; R384-E398 PolarHBondContact NH2-OE1 3.17Å; R384-E398 IonicContact NH2-OE2 3.25Å; R384-E398 PolarHBondContact NH2-OE2 3.26Å; N394-E398 WeakPolarHBondContact O-CG 3.48Å; N394-E398 PolarHBondContact O-N 3.23Å; E398-I401 PolarHBondContact O-N 2.63Å; E398-A402 WeakPolarHBondContact O-CB 3.48Å; E398-A402 PolarHBondContact O-N 3.07Å |
| 399 | A | 93.4 | Very high | 88.7 | Confident | 51 Ų | 51 | 76.5 Ų | 76.5 | 42% | 0.421 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q395 L397 M403 | Q395-A399 WeakPolarHBondContact O-CB 3.25Å; Q395-A399 PolarHBondContact O-N 2.97Å; L397-A399 VanDerWaalsContact C-N 3.29Å; L397-A399 PolarHBondContact O-N 3.38Å; A399-M403 WeakPolarHBondContact O-CB 3.44Å; A399-M403 PolarHBondContact O-N 3.28Å; A399-M403 VanDerWaalsContact O-N 3.08Å |
| 400 | A | 95.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W326 P327 F358 K396 L397 M403 A404 | W326-A400 HydrophobicContact CZ2-CB 3.69Å; P327-A400 HydrophobicContact CG-CB 3.84Å; F358-A400 HydrophobicContact CB-CB 4.15Å; F358-A400 WeakPolarHBondContact CB-O 3.38Å; F358-A400 VanDerWaalsContact O-CB 3.29Å; F358-A400 WeakPolarHBondContact O-CB 3.3Å; K396-A400 WeakPolarHBondContact O-CB 3.29Å; K396-A400 PolarHBondContact O-N 3.46Å; L397-A400 WeakPolarHBondContact O-CB 3.46Å; L397-A400 PolarHBondContact O-N 2.8Å; L397-A400 VanDerWaalsContact O-N 3.11Å; A400-M403 WeakPolarHBondContact O-CB 3.4Å; A400-M403 PolarHBondContact O-N 3.13Å; A400-A404 PolarHBondContact O-N 3.29Å |
| 401 | I | 94.5 | Very high | 91.2 | Very high | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.9 | -42.8 | 177.4 | -64.4 | 161.8 | 0 | 0 | 0 | 111.2 | W317 P327 L380 L397 E398 M403 A404 H405 | W317-I401 HydrophobicContact CH2-CD1 3.7Å; W317-I401 HydrophobicContact CH2-CG1 3.64Å; W317-I401 HydrophobicContact CZ3-CD1 4.36Å; W317-I401 HydrophobicContact CZ3-CG1 4.25Å; P327-I401 HydrophobicContact CG-CG1 3.93Å; L380-I401 HydrophobicContact CD2-CD1 3.9Å; L380-I401 HydrophobicContact CD2-CG2 3.77Å; L397-I401 HydrophobicContact CD1-CD1 3.81Å; L397-I401 HydrophobicContact CD1-CG1 4.16Å; L397-I401 HydrophobicContact CG-CD1 3.77Å; L397-I401 WeakPolarHBondContact O-CD1 3.31Å; L397-I401 VanDerWaalsContact O-CG1 3.26Å; L397-I401 WeakPolarHBondContact O-CG1 3.2Å; L397-I401 PolarHBondContact O-N 3.02Å; E398-I401 PolarHBondContact O-N 2.63Å; I401-M403 PolarHBondContact O-N 2.79Å; I401-A404 PolarHBondContact O-N 3.06Å; I401-A404 VanDerWaalsContact O-N 3.11Å; I401-H405 PolarHBondContact O-CD2 3.17Å; I401-H405 PolarHBondContact O-N 3.17Å |
| 402 | A | 94.9 | Very high | 91.9 | Very high | 54 Ų | 54 | 57.2 Ų | 57.2 | 45% | 0.446 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.5 | -28.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | E398 K406 | E398-A402 WeakPolarHBondContact O-CB 3.48Å; E398-A402 PolarHBondContact O-N 3.07Å; A402-K406 VanDerWaalsContact O-CG 3.29Å; A402-K406 WeakPolarHBondContact O-CG 3.46Å; A402-K406 PolarHBondContact O-N 2.76Å |
| 403 | M | 95.9 | Very high | 92.2 | Very high | 42 Ų | 42 | 54.9 Ų | 54.9 | 21% | 0.207 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.3 | -40.5 | 171.2 | -172.6 | -176.5 | -69.9 | 0 | 0 | 111.9 | F358 G359 A399 A400 I401 K406 A407 F419 | F358-M403 HydrophobicContact CB-CB 4.25Å; F358-M403 HydrophobicContact CB-CG 4.34Å; F358-M403 HydrophobicContact CB-SD 4.09Å; F358-M403 HydrophobicContact CD1-CB 4.29Å; F358-M403 HydrophobicContact CD1-CG 3.69Å; F358-M403 HydrophobicContact CD1-SD 3.84Å; F358-M403 HydrophobicContact CE1-CG 4.47Å; F358-M403 HydrophobicContact CG-CG 4.4Å; F358-M403 HydrophobicContact CG-SD 4.46Å; G359-M403 PolarHBondContact N-SD 3.08Å; G359-M403 VanDerWaalsContact N-SD 3.39Å; G359-M403 WeakPolarHBondContact O-CE 3.43Å; A399-M403 WeakPolarHBondContact O-CB 3.44Å; A399-M403 PolarHBondContact O-N 3.28Å; A399-M403 VanDerWaalsContact O-N 3.08Å; A400-M403 WeakPolarHBondContact O-CB 3.4Å; A400-M403 PolarHBondContact O-N 3.13Å; I401-M403 PolarHBondContact O-N 2.79Å; M403-K406 WeakPolarHBondContact O-CB 3.31Å; M403-K406 PolarHBondContact O-N 3.43Å; M403-A407 PolarHBondContact O-N 2.86Å; M403-F419 HydrophobicContact CG-CD1 3.64Å; M403-F419 HydrophobicContact CG-CE1 3.81Å; M403-F419 HydrophobicContact SD-CD1 4.18Å |
| 404 | A | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I315 P327 F358 F375 A400 I401 K406 A407 E408 | I315-A404 HydrophobicContact CG2-CB 4.43Å; P327-A404 HydrophobicContact CB-CB 3.84Å; P327-A404 HydrophobicContact CG-CB 4.35Å; F358-A404 HydrophobicContact CD2-CB 3.59Å; F358-A404 HydrophobicContact CE2-CB 3.76Å; F358-A404 HydrophobicContact CG-CB 4.09Å; F358-A404 HydrophobicContact CZ-CB 4.36Å; F375-A404 HydrophobicContact CE1-CB 4.22Å; F375-A404 HydrophobicContact CE2-CB 3.8Å; F375-A404 HydrophobicContact CZ-CB 3.53Å; A400-A404 PolarHBondContact O-N 3.29Å; I401-A404 PolarHBondContact O-N 3.06Å; I401-A404 VanDerWaalsContact O-N 3.11Å; A404-K406 VanDerWaalsContact C-N 3.29Å; A404-K406 PolarHBondContact O-N 3.02Å; A404-A407 WeakPolarHBondContact O-CB 3.29Å; A404-A407 PolarHBondContact O-N 2.98Å; A404-A407 VanDerWaalsContact O-N 3.11Å; A404-E408 PolarHBondContact O-N 3.22Å |
| 405 | H | 95.4 | Very high | 93.1 | Very high | 82 Ų | 82 | 55.3 Ų | 55.3 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.3 | -32.5 | 173.8 | -72.5 | -58.3 | 0 | 0 | 0 | 112.8 | F375 I401 A407 E408 Q409 | F375-H405 AromaticContact CE1-CE1 3.5Å; F375-H405 VanDerWaalsContact CE1-CE1 3.5Å; F375-H405 WeakPolarHBondContact CE1-CE1 3.35Å; F375-H405 AromaticContact CE1-ND1 3.45Å; F375-H405 WeakPolarHBondContact CE1-ND1 3.36Å; F375-H405 AromaticContact CZ-CE1 3.65Å; F375-H405 AromaticContact CZ-ND1 3.86Å; F375-H405 AromaticContact CZ-NE2 3.91Å; I401-H405 PolarHBondContact O-CD2 3.17Å; I401-H405 PolarHBondContact O-N 3.17Å; H405-A407 VanDerWaalsContact C-N 3.34Å; H405-E408 IonicContact CE1-OE2 3.66Å; H405-E408 IonicContact CG-OE2 2.77Å; H405-E408 IonicContact ND1-OE2 2.93Å; H405-E408 PolarHBondContact ND1-OE2 3Å; H405-E408 WeakPolarHBondContact O-CB 3.43Å; H405-E408 PolarHBondContact O-N 3.29Å; H405-Q409 WeakPolarHBondContact O-CG 3.42Å; H405-Q409 PolarHBondContact O-N 2.97Å |
| 406 | K | 95.7 | Very high | 93.2 | Very high | 143 Ų | 143 | 49.4 Ų | 49.4 | 62% | 0.622 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -67.2 | -34.7 | 172.5 | -76.1 | 175.3 | 179.5 | -171.5 | 0 | 112.7 | A402 M403 A404 F419 | A402-K406 VanDerWaalsContact O-CG 3.29Å; A402-K406 WeakPolarHBondContact O-CG 3.46Å; A402-K406 PolarHBondContact O-N 2.76Å; M403-K406 WeakPolarHBondContact O-CB 3.31Å; M403-K406 PolarHBondContact O-N 3.43Å; A404-K406 VanDerWaalsContact C-N 3.29Å; A404-K406 PolarHBondContact O-N 3.02Å; K406-F419 HydrophobicContact CB-CZ 3.86Å |
| 407 | A | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.7 | -34.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I315 F358 M403 A404 H405 Q409 I410 R415 F419 | I315-A407 HydrophobicContact CD1-CB 3.8Å; F358-A407 HydrophobicContact CE1-CB 3.74Å; F358-A407 HydrophobicContact CZ-CB 3.75Å; M403-A407 PolarHBondContact O-N 2.86Å; A404-A407 WeakPolarHBondContact O-CB 3.29Å; A404-A407 PolarHBondContact O-N 2.98Å; A404-A407 VanDerWaalsContact O-N 3.11Å; H405-A407 VanDerWaalsContact C-N 3.34Å; A407-Q409 VanDerWaalsContact C-N 3.34Å; A407-Q409 PolarHBondContact O-N 3.39Å; A407-I410 WeakPolarHBondContact O-CG1 3.38Å; A407-I410 PolarHBondContact O-N 3.01Å; A407-R415 HydrophobicContact CB-CB 4Å; A407-R415 WeakPolarHBondContact O-CD 3.25Å; A407-F419 HydrophobicContact CB-CD2 3.59Å; A407-F419 HydrophobicContact CB-CE2 3.93Å; A407-F419 HydrophobicContact CB-CG 4.18Å |
| 408 | E | 93.6 | Very high | 93.3 | Very high | 54 Ų | 54 | 53.8 Ų | 53.8 | 25% | 0.252 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.7 | -31.2 | 179.3 | -172.9 | 175.4 | -139.4 | 0 | 0 | 113.4 | I315 F375 A404 H405 I410 | I315-E408 HydrophobicContact CD1-CB 3.87Å; F375-E408 WeakPolarHBondContact CD1-OE1 3.41Å; A404-E408 PolarHBondContact O-N 3.22Å; H405-E408 IonicContact CE1-OE2 3.66Å; H405-E408 IonicContact CG-OE2 2.77Å; H405-E408 IonicContact ND1-OE2 2.93Å; H405-E408 PolarHBondContact ND1-OE2 3Å; H405-E408 WeakPolarHBondContact O-CB 3.43Å; H405-E408 PolarHBondContact O-N 3.29Å; E408-I410 VanDerWaalsContact C-N 3.3Å; E408-I410 PolarHBondContact O-N 3.5Å |
| 409 | Q | 92.5 | Very high | 93.4 | Very high | 156 Ų | 156 | 52.4 Ų | 52.4 | 73% | 0.729 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 0.4 | -179.4 | -61.5 | -52.4 | -68.6 | 0 | 0 | 115.1 | H405 A407 | H405-Q409 WeakPolarHBondContact O-CG 3.42Å; H405-Q409 PolarHBondContact O-N 2.97Å; A407-Q409 VanDerWaalsContact C-N 3.34Å; A407-Q409 PolarHBondContact O-N 3.39Å |
| 410 | I | 92 | Very high | 93.4 | Very high | 47 Ų | 47 | 50 Ų | 50 | 24% | 0.241 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -127.5 | 162.9 | 179.7 | 67 | 179.2 | 0 | 0 | 0 | 111.2 | A407 E408 E414 R415 L418 F419 | A407-I410 WeakPolarHBondContact O-CG1 3.38Å; A407-I410 PolarHBondContact O-N 3.01Å; E408-I410 VanDerWaalsContact C-N 3.3Å; E408-I410 PolarHBondContact O-N 3.5Å; I410-E414 HydrophobicContact CD1-CB 3.98Å; I410-E414 HydrophobicContact CG1-CB 4.38Å; I410-R415 HydrophobicContact CD1-CB 3.95Å; I410-R415 HydrophobicContact CG1-CB 3.81Å; I410-R415 PolarHBondContact O-NH1 3.21Å; I410-L418 HydrophobicContact CD1-CD1 3.83Å; I410-F419 HydrophobicContact CD1-CD2 4.36Å; I410-F419 HydrophobicContact CD1-CE2 3.84Å |
| 411 | N | 90.1 | Very high | 93.3 | Very high | 58 Ų | 58 | 51 Ų | 51 | 31% | 0.31 | 26% | 0.255 | S | S | . | . | trans | -66.7 | 161.1 | -176.7 | 66 | 59.6 | 0 | 0 | 0 | 112.5 | D268 Q413 E414 R415 | D268-N411 HydrophobicContact CB-CB 4.3Å; N411-Q413 VanDerWaalsContact C-N 3.31Å; N411-Q413 PolarHBondContact O-N 3.25Å; N411-Q413 WeakPolarHBondContact OD1-CB 3.45Å; N411-Q413 PolarHBondContact OD1-N 3.17Å; N411-E414 PolarHBondContact ND2-OE1 3.17Å; N411-E414 PolarHBondContact O-N 2.78Å; N411-E414 WeakPolarHBondContact OD1-CB 3.41Å; N411-E414 WeakPolarHBondContact OD1-CG 3.47Å; N411-E414 PolarHBondContact OD1-N 2.93Å; N411-R415 WeakPolarHBondContact O-CG 3.45Å; N411-R415 PolarHBondContact O-N 2.78Å | ||
| 412 | I | 90.4 | Very high | 93 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -52.3 | -46.3 | -178.5 | -78.5 | -177.7 | 0 | 0 | 0 | 112.8 | F245 G267 I269 D270 V311 R415 V416 | F245-I412 HydrophobicContact CE1-CG2 3.59Å; F245-I412 HydrophobicContact CE2-CG2 3.85Å; F245-I412 HydrophobicContact CZ-CG2 3.15Å; G267-I412 WeakPolarHBondContact O-CG2 3.37Å; I269-I412 VanDerWaalsContact C-CD1 3.44Å; I269-I412 WeakPolarHBondContact O-CD1 3.49Å; D270-I412 HydrophobicContact CB-CD1 3.91Å; D270-I412 HydrophobicContact CB-CG1 4.42Å; V311-I412 HydrophobicContact CG2-CD1 4.39Å; I412-R415 WeakPolarHBondContact O-CG 3.5Å; I412-R415 PolarHBondContact O-N 3.09Å; I412-V416 PolarHBondContact O-N 2.74Å |
| 413 | Q | 89.9 | Confident | 92.7 | Very high | 51 Ų | 51 | 60.4 Ų | 60.4 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -50.2 | -177.9 | -176 | 64.5 | 20.3 | 0 | 0 | 110.6 | G243 F245 N411 N417 | G243-Q413 PolarHBondContact O-NE2 3.07Å; F245-Q413 VanDerWaalsContact CG-OE1 3.3Å; N411-Q413 VanDerWaalsContact C-N 3.31Å; N411-Q413 PolarHBondContact O-N 3.25Å; N411-Q413 WeakPolarHBondContact OD1-CB 3.45Å; N411-Q413 PolarHBondContact OD1-N 3.17Å; Q413-N417 PolarHBondContact NE2-ND2 3.17Å; Q413-N417 PolarHBondContact O-N 3.34Å; Q413-N417 PolarHBondContact O-ND2 2.95Å |
| 414 | E | 91.6 | Very high | 92.5 | Very high | 92 Ų | 92 | 60.4 Ų | 60.4 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | -179.5 | -74 | 168.3 | -148.4 | 0 | 0 | 112.6 | I410 N411 N417 L418 | I410-E414 HydrophobicContact CD1-CB 3.98Å; I410-E414 HydrophobicContact CG1-CB 4.38Å; N411-E414 PolarHBondContact ND2-OE1 3.17Å; N411-E414 PolarHBondContact O-N 2.78Å; N411-E414 WeakPolarHBondContact OD1-CB 3.41Å; N411-E414 WeakPolarHBondContact OD1-CG 3.47Å; N411-E414 PolarHBondContact OD1-N 2.93Å; E414-N417 PolarHBondContact O-N 3.2Å; E414-L418 WeakPolarHBondContact O-CB 3.47Å; E414-L418 WeakPolarHBondContact O-CG 3.22Å; E414-L418 PolarHBondContact O-N 2.98Å |
| 415 | R | 93.8 | Very high | 92.1 | Very high | 15 Ų | 15 | 66.6 Ų | 66.6 | 6% | 0.057 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.6 | -32.8 | -178.2 | 65.6 | -163.9 | -165.2 | -153.8 | 10.9 | 114.5 | D270 G313 M329 A407 I410 N411 I412 F419 | D270-R415 IonicContact OD2-CZ 2.8Å; D270-R415 IonicContact OD2-NH2 3.85Å; D270-R415 PolarHBondContact OD2-NH2 3.23Å; G313-R415 VanDerWaalsContact O-CZ 3.24Å; G313-R415 PolarHBondContact O-NE 3.5Å; G313-R415 PolarHBondContact O-NH2 2.9Å; M329-R415 HydrophobicContact SD-CB 4.35Å; M329-R415 HydrophobicContact SD-CG 4Å; A407-R415 HydrophobicContact CB-CB 4Å; A407-R415 WeakPolarHBondContact O-CD 3.25Å; I410-R415 HydrophobicContact CD1-CB 3.95Å; I410-R415 HydrophobicContact CG1-CB 3.81Å; I410-R415 PolarHBondContact O-NH1 3.21Å; N411-R415 WeakPolarHBondContact O-CG 3.45Å; N411-R415 PolarHBondContact O-N 2.78Å; I412-R415 WeakPolarHBondContact O-CG 3.5Å; I412-R415 PolarHBondContact O-N 3.09Å; R415-F419 HydrophobicContact CB-CD2 4.15Å; R415-F419 WeakPolarHBondContact O-CA 3.47Å; R415-F419 WeakPolarHBondContact O-CB 3.45Å; R415-F419 PolarHBondContact O-N 3.46Å |
| 416 | V | 92.7 | Very high | 91 | Very high | 22 Ų | 22 | 66.6 Ų | 66.6 | 13% | 0.133 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.3 | -40.2 | 170 | -179 | 0 | 0 | 0 | 0 | 110.7 | F245 G313 M329 E331 I412 L418 G420 | F245-V416 HydrophobicContact CE2-CB 3.67Å; F245-V416 HydrophobicContact CE2-CG1 4.28Å; F245-V416 HydrophobicContact CE2-CG2 3.5Å; F245-V416 HydrophobicContact CZ-CB 4.33Å; F245-V416 HydrophobicContact CZ-CG2 3.65Å; G313-V416 VanDerWaalsContact CA-CG2 3.45Å; M329-V416 HydrophobicContact CE-CB 4.45Å; M329-V416 HydrophobicContact CE-CG2 4.17Å; M329-V416 HydrophobicContact SD-CG2 4.1Å; E331-V416 HydrophobicContact CG-CG1 4.21Å; I412-V416 PolarHBondContact O-N 2.74Å; V416-L418 PolarHBondContact O-N 3.42Å; V416-G420 WeakPolarHBondContact O-CA 3.41Å; V416-G420 PolarHBondContact O-N 3.36Å |
| 417 | N | 91.9 | Very high | 89.1 | Confident | 84 Ų | 84 | 62.4 Ų | 62.4 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 177.7 | -75.1 | -54.7 | 0 | 0 | 0 | 112.7 | Q413 E414 S423 | Q413-N417 PolarHBondContact NE2-ND2 3.17Å; Q413-N417 PolarHBondContact O-N 3.34Å; Q413-N417 PolarHBondContact O-ND2 2.95Å; E414-N417 PolarHBondContact O-N 3.2Å; N417-S423 WeakPolarHBondContact O-CB 3.31Å; N417-S423 PolarHBondContact O-OG 2.9Å |
| 418 | L | 93 | Very high | 87 | Confident | 107 Ų | 107 | 67 Ų | 67 | 56% | 0.56 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -88 | -35.1 | -177.5 | -67.4 | 172.3 | 0 | 0 | 0 | 114.4 | I410 E414 V416 | I410-L418 HydrophobicContact CD1-CD1 3.83Å; E414-L418 WeakPolarHBondContact O-CB 3.47Å; E414-L418 WeakPolarHBondContact O-CG 3.22Å; E414-L418 PolarHBondContact O-N 2.98Å; V416-L418 PolarHBondContact O-N 3.42Å |
| 419 | F | 94.1 | Very high | 84.7 | Confident | 34 Ų | 34 | 71.1 Ų | 71.1 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -119.4 | 1.6 | -174.6 | -55.3 | -76.8 | 0 | 0 | 0 | 114.4 | M329 F358 M403 K406 A407 I410 R415 R424 | M329-F419 HydrophobicContact CE-CB 4.32Å; F358-F419 HydrophobicContact CD1-CB 4.39Å; F358-F419 HydrophobicContact CE1-CB 3.8Å; F358-F419 HydrophobicContact CE1-CG 4.29Å; M403-F419 HydrophobicContact CG-CD1 3.64Å; M403-F419 HydrophobicContact CG-CE1 3.81Å; M403-F419 HydrophobicContact SD-CD1 4.18Å; K406-F419 HydrophobicContact CB-CZ 3.86Å; A407-F419 HydrophobicContact CB-CD2 3.59Å; A407-F419 HydrophobicContact CB-CE2 3.93Å; A407-F419 HydrophobicContact CB-CG 4.18Å; I410-F419 HydrophobicContact CD1-CD2 4.36Å; I410-F419 HydrophobicContact CD1-CE2 3.84Å; R415-F419 HydrophobicContact CB-CD2 4.15Å; R415-F419 WeakPolarHBondContact O-CA 3.47Å; R415-F419 WeakPolarHBondContact O-CB 3.45Å; R415-F419 PolarHBondContact O-N 3.46Å; F419-R424 PolarHBondContact O-NE 3.38Å; F419-R424 PolarHBondContact O-NH2 2.96Å |
| 420 | G | 92.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -65.7 | 178.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E331 V416 | E331-G420 WeakPolarHBondContact OE1-CA 3.25Å; E331-G420 WeakPolarHBondContact OE2-CA 3.38Å; V416-G420 WeakPolarHBondContact O-CA 3.41Å; V416-G420 PolarHBondContact O-N 3.36Å |
| 421 | F | 93.1 | Very high | 80 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 10% | 0.096 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.3 | -48.5 | 178.8 | -175.4 | -92.8 | 0 | 0 | 0 | 110.4 | E331 P334 T356 V362 R364 S423 R424 Y425 | E331-F421 PolarHBondContact OE1-N 3.5Å; E331-F421 WeakPolarHBondContact OE2-CB 3.16Å; E331-F421 PolarHBondContact OE2-N 3.18Å; P334-F421 HydrophobicContact CG-CD1 3.96Å; P334-F421 HydrophobicContact CG-CE1 4.15Å; T356-F421 HydrophobicContact CG2-CB 3.98Å; T356-F421 HydrophobicContact CG2-CD2 4.44Å; V362-F421 HydrophobicContact CG1-CD2 4.31Å; V362-F421 HydrophobicContact CG1-CE2 4.28Å; V362-F421 HydrophobicContact CG2-CD2 3.85Å; R364-F421 HydrophobicContact CB-CD2 4.13Å; R364-F421 HydrophobicContact CB-CE2 4.42Å; R364-F421 HydrophobicContact CG-CD2 4.03Å; R364-F421 HydrophobicContact CG-CE2 3.9Å; F421-S423 PolarHBondContact O-N 3.08Å; F421-R424 PolarHBondContact O-N 3.42Å; F421-Y425 HydrophobicContact CD1-CG 4.43Å; F421-Y425 AromaticContact CE1-CD1 3.98Å; F421-Y425 HydrophobicContact CE1-CD1 3.98Å; F421-Y425 AromaticContact CE1-CD2 3.97Å; F421-Y425 HydrophobicContact CE1-CD2 3.97Å; F421-Y425 AromaticContact CE1-CG 3.63Å; F421-Y425 HydrophobicContact CE1-CG 3.63Å; F421-Y425 AromaticContact CE2-CD2 4Å; F421-Y425 HydrophobicContact CE2-CD2 4Å; F421-Y425 HydrophobicContact CE2-CG 4.38Å; F421-Y425 HydrophobicContact CZ-CD1 4.22Å; F421-Y425 AromaticContact CZ-CD2 3.4Å; F421-Y425 HydrophobicContact CZ-CD2 3.4Å; F421-Y425 AromaticContact CZ-CE2 3.88Å; F421-Y425 HydrophobicContact CZ-CE2 3.88Å; F421-Y425 AromaticContact CZ-CG 3.59Å; F421-Y425 HydrophobicContact CZ-CG 3.59Å; F421-Y425 WeakPolarHBondContact O-CB 3.36Å; F421-Y425 PolarHBondContact O-N 3.33Å |
| 422 | R | 88.1 | Confident | 77.7 | Confident | 204 Ų | 204 | 72.3 Ų | 72.3 | 77% | 0.77 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.2 | -44.6 | -170 | -168.4 | 173.1 | -177.5 | 170.4 | -0.3 | 113.2 | S426 | R422-S426 PolarHBondContact O-N 3.47Å; R422-S426 PolarHBondContact O-OG 3.3Å |
| 423 | S | 89.2 | Confident | 75.3 | Confident | 54 Ų | 54 | 79 Ų | 79 | 38% | 0.378 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -72.6 | -41.9 | 179.3 | 47.2 | 0 | 0 | 0 | 0 | 112.8 | N417 F421 | N417-S423 WeakPolarHBondContact O-CB 3.31Å; N417-S423 PolarHBondContact O-OG 2.9Å; F421-S423 PolarHBondContact O-N 3.08Å |
| 424 | R | 91.4 | Very high | 73.2 | Confident | 41 Ų | 41 | 80.7 Ų | 80.7 | 16% | 0.155 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -75.6 | -27.7 | 179.4 | -67.7 | -166.2 | -73 | 142.7 | -5.5 | 114 | Y357 G359 V362 F419 F421 | Y357-R424 PolarHBondContact O-NH1 2.94Å; Y357-R424 VanDerWaalsContact O-NH1 3.09Å; Y357-R424 PolarHBondContact O-NH2 3.07Å; G359-R424 PolarHBondContact O-NH1 2.92Å; V362-R424 HydrophobicContact CB-CB 3.87Å; V362-R424 HydrophobicContact CG1-CB 4.05Å; V362-R424 HydrophobicContact CG2-CB 4.19Å; F419-R424 PolarHBondContact O-NE 3.38Å; F419-R424 PolarHBondContact O-NH2 2.96Å; F421-R424 PolarHBondContact O-N 3.42Å |
| 425 | Y | 87.4 | Confident | 70.7 | Confident | 131 Ų | 131 | 84 Ų | 84 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76.4 | -51 | 179.7 | -172 | -102.6 | 0 | 0 | 0 | 111.5 | V362 F421 G427 S428 | V362-Y425 HydrophobicContact CG1-CD2 4.2Å; F421-Y425 HydrophobicContact CD1-CG 4.43Å; F421-Y425 AromaticContact CE1-CD1 3.98Å; F421-Y425 HydrophobicContact CE1-CD1 3.98Å; F421-Y425 AromaticContact CE1-CD2 3.97Å; F421-Y425 HydrophobicContact CE1-CD2 3.97Å; F421-Y425 AromaticContact CE1-CG 3.63Å; F421-Y425 HydrophobicContact CE1-CG 3.63Å; F421-Y425 AromaticContact CE2-CD2 4Å; F421-Y425 HydrophobicContact CE2-CD2 4Å; F421-Y425 HydrophobicContact CE2-CG 4.38Å; F421-Y425 HydrophobicContact CZ-CD1 4.22Å; F421-Y425 AromaticContact CZ-CD2 3.4Å; F421-Y425 HydrophobicContact CZ-CD2 3.4Å; F421-Y425 AromaticContact CZ-CE2 3.88Å; F421-Y425 HydrophobicContact CZ-CE2 3.88Å; F421-Y425 AromaticContact CZ-CG 3.59Å; F421-Y425 HydrophobicContact CZ-CG 3.59Å; F421-Y425 WeakPolarHBondContact O-CB 3.36Å; F421-Y425 PolarHBondContact O-N 3.33Å; Y425-G427 PolarHBondContact O-N 3.48Å; Y425-G427 VanDerWaalsContact O-N 3.12Å; Y425-S428 PolarHBondContact O-N 3.44Å |
| 426 | S | 72.4 | Confident | 67.8 | Low | 82 Ų | 82 | 89.3 Ų | 89.3 | 57% | 0.573 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.1 | -15.7 | -179.3 | -65.2 | 0 | 0 | 0 | 0 | 114.5 | R422 S428 | R422-S426 PolarHBondContact O-N 3.47Å; R422-S426 PolarHBondContact O-OG 3.3Å; S426-S428 VanDerWaalsContact C-N 3.26Å; S426-S428 PolarHBondContact O-N 3.03Å |
| 427 | G | 55.6 | Low | 65.5 | Low | 55 Ų | 55 | 96.2 Ų | 96.2 | 57% | 0.567 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -3.5 | 178 | 0 | 0 | 0 | 0 | 0 | 116 | Y425 | Y425-G427 PolarHBondContact O-N 3.48Å; Y425-G427 VanDerWaalsContact O-N 3.12Å |
| 428 | S | 50.7 | Low | 62.7 | Low | 96 Ų | 96 | 99.4 Ų | 99.4 | 67% | 0.671 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -24 | -175.3 | -62.7 | 0 | 0 | 0 | 0 | 115.4 | Y425 S426 | Y425-S428 PolarHBondContact O-N 3.44Å; S426-S428 VanDerWaalsContact C-N 3.26Å; S426-S428 PolarHBondContact O-N 3.03Å |
| 429 | D | 46.8 | Very low | 60 | Low | 140 Ų | 140 | 102.2 Ų | 102.2 | 75% | 0.749 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -100.4 | -8.5 | -171.6 | -68.9 | -30.5 | 0 | 0 | 0 | 114.1 | S431 | D429-S431 PolarHBondContact O-N 3.23Š|
| 430 | S | 39.8 | Very low | 57 | Low | 86 Ų | 86 | 111.8 Ų | 111.8 | 60% | 0.601 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -75.6 | 117.8 | 170.8 | 58.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 431 | S | 44.3 | Very low | 54.1 | Low | 117 Ų | 117 | 120.2 Ų | 120.2 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | trans | -53.6 | 137.9 | 176.9 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | D429 E433 | D429-S431 PolarHBondContact O-N 3.23Å; S431-E433 PolarHBondContact O-N 3.23Å; S431-E433 VanDerWaalsContact O-N 3.09Å | ||
| 432 | G | 42.5 | Very low | 51.1 | Low | 83 Ų | 83 | 125.3 Ų | 125.3 | 86% | 0.856 | 70% | 0.7 | S | S | * | * | trans | -62.3 | 109.6 | -161 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 433 | E | 39.7 | Very low | 48.2 | Very low | 144 Ų | 144 | 120.9 Ų | 120.9 | 67% | 0.673 | 70% | 0.7 | S | S | * | * | trans | -104.6 | 122.8 | 147.5 | -69.6 | -163.6 | 134.1 | 0 | 0 | 109 | S431 K435 | S431-E433 PolarHBondContact O-N 3.23Å; S431-E433 VanDerWaalsContact O-N 3.09Å; E433-K435 PolarHBondContact O-N 3.28Å; E433-K435 VanDerWaalsContact OE2-CE 3.25Å; E433-K435 WeakPolarHBondContact OE2-CE 3.27Å; E433-K435 IonicContact OE2-NZ 2.68Å; E433-K435 PolarHBondContact OE2-NZ 2.84Å | ||
| 434 | G | 46.8 | Very low | 45.4 | Very low | 86 Ų | 86 | 123.6 Ų | 123.6 | 89% | 0.887 | 72% | 0.719 | S | S | * | * | trans | -72.3 | 108.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 435 | K | 39.1 | Very low | 42.9 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | trans | -108.3 | 100.7 | 170.8 | -74.7 | 171.7 | -174.7 | 157.3 | 0 | 108.6 | E433 L437 | E433-K435 PolarHBondContact O-N 3.28Å; E433-K435 VanDerWaalsContact OE2-CE 3.25Å; E433-K435 WeakPolarHBondContact OE2-CE 3.27Å; E433-K435 IonicContact OE2-NZ 2.68Å; E433-K435 PolarHBondContact OE2-NZ 2.84Å; K435-L437 PolarHBondContact O-N 2.85Å | ||
| 436 | D | 33.2 | Very low | 40 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | trans | -63.2 | 111.5 | -179.6 | -173.2 | 28.3 | 0 | 0 | 0 | 110 | M438 | D436-M438 PolarHBondContact O-N 2.76Å; D436-M438 WeakPolarHBondContact OD2-CE 3.47Å | ||
| 437 | L | 44.3 | Very low | 37.9 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | trans | -81.5 | 69 | 179.4 | -79.6 | 171.6 | 0 | 0 | 0 | 110.2 | K435 L439 | K435-L437 PolarHBondContact O-N 2.85Å; L437-L439 PolarHBondContact O-N 3.46Å; L437-L439 VanDerWaalsContact O-N 3.08Å | ||
| 438 | M | 31.7 | Very low | 36.4 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | -60.9 | 108.3 | 168 | -83.7 | -73.7 | 171.4 | 0 | 0 | 110.1 | D436 R440 | D436-M438 PolarHBondContact O-N 2.76Å; D436-M438 WeakPolarHBondContact OD2-CE 3.47Å; M438-R440 PolarHBondContact O-N 3.38Å; M438-R440 VanDerWaalsContact O-N 3.13Å | ||
| 439 | L | 38.1 | Very low | 35.4 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -58.8 | 112.8 | 165.7 | -71.8 | 167.7 | 0 | 0 | 0 | 108.4 | L437 E441 | L437-L439 PolarHBondContact O-N 3.46Å; L437-L439 VanDerWaalsContact O-N 3.08Å; L439-E441 PolarHBondContact O-N 3.49Å | ||
| 440 | R | 30.5 | Very low | 34.7 | Very low | 235 Ų | 235 | 136.1 Ų | 136.1 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -89 | 94.4 | 178.7 | -163.7 | 172.9 | -164.7 | -110.5 | 0.1 | 109.6 | M438 | M438-R440 PolarHBondContact O-N 3.38Å; M438-R440 VanDerWaalsContact O-N 3.13Å | ||
| 441 | E | 31.2 | Very low | 34.3 | Very low | 176 Ų | 176 | 142 Ų | 142 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -56.9 | 137.2 | 170.2 | -68.6 | -176.9 | 121.7 | 0 | 0 | 110.8 | L439 S443 | L439-E441 PolarHBondContact O-N 3.49Å; E441-S443 PolarHBondContact O-N 2.99Å; E441-S443 VanDerWaalsContact O-N 3.07Å | ||
| 442 | S | 31.2 | Very low | 33.7 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -79.1 | 87.3 | -177.4 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 443 | S | 27.5 | Very low | 33.1 | Very low | 111 Ų | 111 | 150.6 Ų | 150.6 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 142.5 | 166.7 | 49 | 0 | 0 | 0 | 0 | 112 | E441 | E441-S443 PolarHBondContact O-N 2.99Å; E441-S443 VanDerWaalsContact O-N 3.07Å |
| 444 | S | 29.6 | Very low | 32.5 | Very low | 111 Ų | 111 | 150.9 Ų | 150.9 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 145.3 | -176.4 | -173.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 445 | P | 38.8 | Very low | 31.5 | Very low | 119 Ų | 119 | 152.2 Ų | 152.2 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 140.2 | 174.7 | 31.4 | -35.4 | 0 | 0 | 0 | 111.7 | ||
| 446 | E | 26.9 | Very low | 30.8 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | trans | -147.6 | 171.9 | 156.6 | -137.8 | 174.7 | -163.3 | 0 | 0 | 111.8 | ||||
| 447 | S | 28.1 | Very low | 30.5 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -70.6 | 173.5 | -162.5 | 83.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 448 | C | 23.9 | Very low | 29.9 | Very low | 104 Ų | 104 | 150.7 Ų | 150.7 | 70% | 0.703 | 80% | 0.802 | S | S | * | * | cis | -163.3 | 167.9 | -1.1 | -138.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 449 | L | 30 | Very low | 29.7 | Very low | 134 Ų | 134 | 151.4 Ų | 151.4 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | trans | 43.7 | 112.2 | 150 | -68.4 | 166.4 | 0 | 0 | 0 | 121.8 | ||||
| 450 | Q | 31.8 | Very low | 29.4 | Very low | 153 Ų | 153 | 150.6 Ų | 150.6 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | 27.9 | 126.2 | 123.7 | -65.8 | 173.6 | -59.3 | 0 | 0 | 119.8 | |||||
| 451 | K | 30.7 | Very low | 29.3 | Very low | 210 Ų | 210 | 146.6 Ų | 146.6 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | -147.1 | 110.7 | 129 | -121.5 | 164.7 | -169.4 | 165.1 | 0 | 111.9 | |||||
| 452 | E | 31.9 | Very low | 29.2 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -69.4 | 140.8 | 165.1 | -62 | 166.1 | 158.5 | 0 | 0 | 109.3 | ||||
| 453 | K | 30.4 | Very low | 29.2 | Very low | 211 Ų | 211 | 147 Ų | 147 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | trans | -143.5 | 121.9 | 140 | -84.4 | -143.9 | 169.1 | -164.5 | 0 | 109 | ||||
| 454 | D | 26 | Very low | 29.4 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | trans | -91.9 | 175.7 | 174.8 | -174.2 | 28.1 | 0 | 0 | 0 | 110.5 | ||||
| 455 | S | 25.8 | Very low | 29.5 | Very low | 113 Ų | 113 | 151.2 Ų | 151.2 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | 65.8 | 143.4 | 179.8 | 82.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 456 | G | 24.9 | Very low | 29.7 | Very low | 60 Ų | 60 | 150.7 Ų | 150.7 | 62% | 0.619 | 77% | 0.765 | S | S | * | * | cis | 141.5 | 140.5 | -6.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 457 | E | 27.9 | Very low | 29.7 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | 63.5 | 158.1 | 167.6 | -69 | 154.4 | -171.9 | 0 | 0 | 115.1 | ||||
| 458 | E | 30.5 | Very low | 30.1 | Very low | 178 Ų | 178 | 149.5 Ų | 149.5 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | cis | -145.3 | -173.3 | -0.9 | -139.5 | 173.9 | -162.4 | 0 | 0 | 111.8 | ||||
| 459 | E | 29 | Very low | 30.5 | Very low | 166 Ų | 166 | 149.6 Ų | 149.6 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -75.4 | 159.1 | -170.1 | -48.8 | 178.5 | 144.3 | 0 | 0 | 115.7 | ||||
| 460 | K | 30 | Very low | 30.5 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 65% | 0.648 | 77% | 0.767 | S | S | * | * | -179.3 | 150.4 | 106.1 | -105.7 | 177.9 | 176.8 | -69.4 | 0 | 116.5 | |||||
| 461 | E | 28.8 | Very low | 30.5 | Very low | 151 Ų | 151 | 151.4 Ų | 151.4 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 24.9 | 141.1 | 135.4 | -74.4 | 159.7 | -170.5 | 0 | 0 | 120.5 | ||||
| 462 | E | 29.8 | Very low | 30.6 | Very low | 157 Ų | 157 | 151 Ų | 151 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | cis | -169.2 | 164 | -2 | -170.2 | -161.8 | -166 | 0 | 0 | 108.2 | ||||
| 463 | K | 31.8 | Very low | 31 | Very low | 156 Ų | 156 | 148.9 Ų | 148.9 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | 118.9 | 130.7 | 143.7 | -66.1 | -149.4 | 175.4 | -167.2 | 0 | 121.9 | ||||
| 464 | E | 31.8 | Very low | 30.9 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | 65.4 | 112.7 | 151.2 | -54.4 | -80.4 | 139.6 | 0 | 0 | 120 | ||||
| 465 | D | 30.6 | Very low | 31.3 | Very low | 133 Ų | 133 | 146 Ų | 146 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -110.8 | 135.8 | 157.5 | 177.7 | 51.1 | 0 | 0 | 0 | 106.8 | T467 | D465-T467 PolarHBondContact OD1-N 2.64Å; D465-T467 VanDerWaalsContact OD1-N 3.11Å | ||
| 466 | P | 42.8 | Very low | 31.8 | Very low | 108 Ų | 108 | 148.2 Ų | 148.2 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | -142.9 | 135.7 | 88.2 | 33.5 | -15.8 | 0 | 0 | 0 | 115.2 | |||||
| 467 | T | 28.2 | Very low | 32.2 | Very low | 124 Ų | 124 | 153.8 Ų | 153.8 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | 162.5 | 132.5 | 117.4 | -67.7 | 0 | 0 | 0 | 0 | 113.9 | D465 | D465-T467 PolarHBondContact OD1-N 2.64Å; D465-T467 VanDerWaalsContact OD1-N 3.11Å | |||
| 468 | L | 34.9 | Very low | 32.3 | Very low | 150 Ų | 150 | 150.5 Ų | 150.5 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -96.9 | 176.2 | 179.2 | -63.2 | 170.8 | 0 | 0 | 0 | 112.5 | ||||
| 469 | P | 33.5 | Very low | 32.4 | Very low | 106 Ų | 106 | 150.8 Ų | 150.8 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | cis | -138.9 | 168.7 | -49.4 | 39.4 | -24 | 0 | 0 | 0 | 114.9 | ||||
| 470 | K | 30.1 | Very low | 32.6 | Very low | 196 Ų | 196 | 151.9 Ų | 151.9 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | 35.1 | 120.1 | 147.5 | -65.4 | 174.5 | -179.3 | 171.2 | 0 | 121.2 | ||||
| 471 | P | 30.8 | Very low | 32.6 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | trans | -86.2 | 128.9 | 160.2 | 33.3 | -31.7 | 0 | 0 | 0 | 113.7 | ||||
| 472 | K | 33.2 | Very low | 32.8 | Very low | 202 Ų | 202 | 154.6 Ų | 154.6 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | trans | -151.5 | 165.5 | 161.9 | -88.7 | -156.5 | 179.8 | -175.2 | 0 | 108 | ||||
| 473 | P | 39.3 | Very low | 33 | Very low | 123 Ų | 123 | 152.9 Ų | 152.9 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | -106.2 | 166.8 | -96.2 | 13.3 | 10.4 | 0 | 0 | 0 | 113.5 | |||||
| 474 | A | 29.4 | Very low | 32.9 | Very low | 102 Ų | 102 | 157.1 Ų | 157.1 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -71.8 | 140.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 475 | K | 33.6 | Very low | 32.6 | Very low | 198 Ų | 198 | 151.4 Ų | 151.4 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -146.8 | 118.3 | 167.7 | -138.3 | 177.3 | -171.5 | 177.1 | 0 | 109.4 | ||||
| 476 | I | 36.7 | Very low | 33.9 | Very low | 161 Ų | 161 | 151.3 Ų | 151.3 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -127.8 | 111.9 | 177 | -59.9 | 179.3 | 0 | 0 | 0 | 105.4 | ||||
| 477 | Q | 33.7 | Very low | 33.3 | Very low | 176 Ų | 176 | 151.1 Ų | 151.1 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | 81.1 | 158.4 | 61.2 | -66.5 | -137 | 58.6 | 0 | 0 | 113.9 | |||||
| 478 | T | 30.2 | Very low | 33.2 | Very low | 117 Ų | 117 | 149.2 Ų | 149.2 | 72% | 0.718 | 82% | 0.817 | S | S | * | * | trans | -148.4 | 161.7 | -140.5 | -16.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 479 | K | 32.9 | Very low | 32.8 | Very low | 183 Ų | 183 | 146.1 Ų | 146.1 | 80% | 0.796 | 82% | 0.821 | S | S | * | * | trans | 93 | 142.3 | 148.4 | -72.5 | 160.9 | -179.5 | 169 | 0 | 121.5 | ||||
| 480 | K | 33.7 | Very low | 32.7 | Very low | 190 Ų | 190 | 150.6 Ų | 150.6 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | trans | 78.7 | 153.9 | 152.4 | -75.7 | 173.8 | 172.9 | -174.9 | 0 | 117.9 | ||||
| 481 | I | 29.4 | Very low | 32.6 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 79% | 0.79 | 84% | 0.835 | S | S | * | * | cis | -146 | 178.1 | 8.4 | -132.9 | 157.4 | 0 | 0 | 0 | 114.2 | ||||
| 482 | K | 33.2 | Very low | 32.5 | Very low | 203 Ų | 203 | 143.2 Ų | 143.2 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | -87.2 | 152.4 | -168.9 | -74.9 | -179.4 | 171.1 | -179.3 | 0 | 118 | ||||
| 483 | S | 33.1 | Very low | 32.3 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 85% | 0.846 | 84% | 0.838 | S | S | * | * | trans | -164.6 | 163.8 | 136.1 | 98.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 484 | R | 29.1 | Very low | 32.6 | Very low | 245 Ų | 245 | 143.6 Ų | 143.6 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | cis | -150.5 | -131.3 | -17.1 | -159 | -177.8 | 172.7 | 153.6 | -0 | 109.5 | ||||
| 485 | G | 27.1 | Very low | 32.8 | Very low | 58 Ų | 58 | 148.1 Ų | 148.1 | 60% | 0.598 | 83% | 0.829 | S | S | * | * | trans | 165.5 | -179.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 486 | P | 57.5 | Low | 32.8 | Very low | 131 Ų | 131 | 146.7 Ų | 146.7 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | cis | -140.7 | -164.8 | 7.7 | 44.2 | -25.3 | 0 | 0 | 0 | 116.2 | ||||
| 487 | A | 28.8 | Very low | 32.5 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | 103.5 | 133.9 | 148.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 488 | G | 27.4 | Very low | 32.5 | Very low | 84 Ų | 84 | 146 Ų | 146 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | 116.4 | 126.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 489 | G | 27.2 | Very low | 32.5 | Very low | 85 Ų | 85 | 147.1 Ų | 147.1 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | trans | 113.2 | 113 | 144.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 490 | Q | 31.5 | Very low | 32.7 | Very low | 200 Ų | 200 | 147.7 Ų | 147.7 | 94% | 0.935 | 83% | 0.832 | S | S | * | * | trans | -59.7 | 153.1 | -179.8 | -59.9 | 169.3 | -9.3 | 0 | 0 | 118 | ||||
| 491 | G | 26.5 | Very low | 32.5 | Very low | 86 Ų | 86 | 148 Ų | 148 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | 103.1 | 133.4 | 112.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 492 | G | 28.1 | Very low | 32.6 | Very low | 85 Ų | 85 | 145 Ų | 145 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | trans | 131 | 92.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 493 | R | 29.2 | Very low | 32.5 | Very low | 242 Ų | 242 | 142.9 Ų | 142.9 | 91% | 0.913 | 82% | 0.824 | S | S | * | * | trans | -137.9 | 169.8 | 152.6 | -124.7 | -163.2 | -176.7 | -133.9 | 3.7 | 106.2 | ||||
| 494 | P | 47.3 | Very low | 32.2 | Very low | 91 Ų | 91 | 142.3 Ų | 142.3 | 59% | 0.591 | 82% | 0.819 | S | S | * | * | cis | -127.4 | -166.7 | -24.2 | 35 | -16 | 0 | 0 | 0 | 111.1 | ||||
| 495 | K | 32.4 | Very low | 32.3 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | 177.6 | 151.3 | 112.7 | -98.1 | 175.7 | -178.4 | 179.3 | 0 | 115.9 | |||||
| 496 | E | 34.8 | Very low | 32.3 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 78% | 0.78 | 83% | 0.825 | S | S | * | * | trans | -82.6 | 170.3 | 168.9 | 107.4 | -138.8 | -99 | 0 | 0 | 111.6 | ||||
| 497 | K | 30.4 | Very low | 30.9 | Very low | 203 Ų | 203 | 140.5 Ų | 140.5 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -164.2 | 150.7 | 149.1 | -117.8 | 171.9 | -176.5 | -176.9 | 0 | 114.1 | ||||
| 498 | T | 31.9 | Very low | 30.7 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | trans | -129.3 | 140.8 | -176.4 | -51.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 499 | V | 31.7 | Very low | 31.1 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -143.5 | 156.2 | 169.9 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 500 | K | 36 | Very low | 31.7 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -120.7 | -175 | -178.8 | -74.1 | -173.9 | 172 | -174.8 | 0 | 111.8 | ||||
| 501 | K | 30.3 | Very low | 31.6 | Very low | 198 Ų | 198 | 144.1 Ų | 144.1 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | 84.6 | 147 | 166.7 | -112.8 | -176.4 | 179.7 | -177.4 | 0 | 114.7 | ||||
| 502 | S | 30.9 | Very low | 31.9 | Very low | 90 Ų | 90 | 144 Ų | 144 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | cis | -155.1 | 151.5 | 4.4 | -30.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 503 | L | 31.3 | Very low | 32.8 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 43 | 151.2 | 134.2 | -83.7 | 157.7 | 0 | 0 | 0 | 124.9 | ||||
| 504 | S | 25.8 | Very low | 32.9 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 64.6 | 154.1 | 159.5 | 45.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 505 | S | 31.6 | Very low | 32.1 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | cis | 176.8 | 165.3 | -43 | 46.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 506 | E | 26.8 | Very low | 31.8 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | trans | 88.5 | 167.9 | 163.9 | -142.3 | 163.1 | 131.2 | 0 | 0 | 118.7 | ||||
| 507 | S | 29.7 | Very low | 31.5 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | -119.6 | 167.6 | -153.8 | 178.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 508 | T | 23.6 | Very low | 31.7 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | 172.8 | 143.5 | 125.1 | -75.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 509 | I | 35.4 | Very low | 31.7 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -104.5 | 144.1 | 174.2 | -58.2 | 163.6 | 0 | 0 | 0 | 110.3 | ||||
| 510 | P | 40.5 | Very low | 31.8 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | trans | -131.4 | 154.4 | 147.6 | 36.6 | -24.5 | 0 | 0 | 0 | 112.2 | ||||
| 511 | L | 28.3 | Very low | 31.5 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | cis | -164.4 | 161.7 | -11.4 | -122.1 | 166.9 | 0 | 0 | 0 | 108.3 | ||||
| 512 | A | 34.6 | Very low | 31.4 | Very low | 85 Ų | 85 | 126.5 Ų | 126.5 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | trans | -130.6 | 140.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 513 | P | 45.7 | Very low | 31.5 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | trans | -90.7 | 136.8 | 169.2 | -9.4 | 29.6 | 0 | 0 | 0 | 112.8 | ||||
| 514 | V | 32 | Very low | 31.6 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | 74.4 | 125.5 | 92.1 | 169.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 515 | L | 30.3 | Very low | 31.6 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | cis | -151.9 | 146.8 | 5.6 | -108.3 | 161.1 | 0 | 0 | 0 | 108.1 | ||||
| 516 | G | 25.3 | Very low | 31.7 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | 85.7 | 137.7 | 85.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 517 | G | 29.4 | Very low | 31.7 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | cis | 168.4 | 169.9 | -6.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 518 | K | 34.1 | Very low | 31.7 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | trans | 75.2 | 119.5 | 172.6 | -68.7 | -172.1 | 160 | -73 | 0 | 118.2 | ||||
| 519 | E | 33.2 | Very low | 32.6 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 71% | 0.71 | 79% | 0.789 | S | S | * | * | 84.2 | 142.7 | 90.7 | -69.5 | 159.3 | -164.9 | 0 | 0 | 113 | |||||
| 520 | E | 32 | Very low | 32.1 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 71% | 0.71 | 78% | 0.784 | S | S | * | * | cis | -149.3 | 169.6 | 34.9 | -87.8 | -160.4 | 85 | 0 | 0 | 115.4 | ||||
| 521 | Q | 30.7 | Very low | 32.3 | Very low | 171 Ų | 171 | 130 Ų | 130 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | 60.5 | 140.7 | 153 | -68.9 | 162.9 | 38.5 | 0 | 0 | 120.8 | ||||
| 522 | G | 28 | Very low | 32.4 | Very low | 69 Ų | 69 | 130.9 Ų | 130.9 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | 175.6 | 171 | -6.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 523 | N | 32.3 | Very low | 32.3 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | 74.4 | 87.5 | 163.7 | -60.6 | -12.2 | 0 | 0 | 0 | 122.5 | ||||
| 524 | S | 33.3 | Very low | 31.5 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | 53.9 | 131.9 | 118.1 | -51.5 | 0 | 0 | 0 | 0 | 126.3 | |||||
| 525 | E | 27.6 | Very low | 31.1 | Very low | 192 Ų | 192 | 141.3 Ų | 141.3 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | 103.1 | 163.4 | 133.6 | -103.7 | 177.2 | 141.4 | 0 | 0 | 123.2 | ||||
| 526 | L | 32.3 | Very low | 31 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -126.9 | 157.4 | -149.1 | -67.9 | 137.6 | 0 | 0 | 0 | 113.5 | ||||
| 527 | G | 27 | Very low | 31.3 | Very low | 78 Ų | 78 | 142 Ų | 142 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 151.3 | 125 | 151.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 528 | H | 30.2 | Very low | 31.4 | Very low | 191 Ų | 191 | 144.6 Ų | 144.6 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | trans | -78 | -170.4 | 166.9 | -52.4 | -84.2 | 0 | 0 | 0 | 112.7 | ||||
| 529 | P | 41.9 | Very low | 31.1 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | cis | -133.3 | -168 | -14.3 | 25.2 | 0.9 | 0 | 0 | 0 | 114.6 | ||||
| 530 | G | 26.2 | Very low | 31.1 | Very low | 67 Ų | 67 | 143.3 Ų | 143.3 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -81 | -155.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 531 | P | 44.5 | Very low | 31 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -156.4 | -171.6 | 23.1 | 47.4 | -26.1 | 0 | 0 | 0 | 120.2 | ||||
| 532 | K | 30.4 | Very low | 31 | Very low | 183 Ų | 183 | 141.3 Ų | 141.3 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | 83 | 136.3 | 148.9 | -75.4 | 167.4 | -172.8 | 166 | 0 | 124.5 | ||||
| 533 | K | 31.7 | Very low | 31.3 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | 74.3 | 156 | 154.1 | -73.9 | 177.2 | -179.1 | 178.3 | 0 | 119 | ||||
| 534 | K | 29.8 | Very low | 31 | Very low | 173 Ų | 173 | 141 Ų | 141 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | cis | -175.2 | 158.7 | -31.1 | -121.2 | -170.8 | -179.5 | -170.5 | 0 | 110.2 | ||||
| 535 | F | 23.5 | Very low | 30.7 | Very low | 178 Ų | 178 | 142 Ų | 142 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | 68.4 | 159.8 | 163.8 | -90.6 | -134.1 | 0 | 0 | 0 | 117.3 | ||||
| 536 | K | 27.1 | Very low | 30.7 | Very low | 176 Ų | 176 | 140 Ų | 140 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | cis | -161.4 | 169.7 | -26.8 | -150.1 | -157.5 | 178.8 | -159.3 | 0 | 108.7 | ||||
| 537 | A | 31.3 | Very low | 30.8 | Very low | 82 Ų | 82 | 139 Ų | 139 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -84.8 | 161.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 538 | P | 32.2 | Very low | 31.7 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -92.3 | 155.2 | 172 | 36.2 | -33.3 | 0 | 0 | 0 | 114.2 | ||||
| 539 | E | 27.7 | Very low | 31.6 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -114.5 | 179.5 | 176.2 | -68.9 | -178.4 | 139.4 | 0 | 0 | 112.1 | ||||
| 540 | S | 32.4 | Very low | 31.2 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -100.6 | 160 | -175.6 | 57.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 541 | K | 31.1 | Very low | 31.3 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -173.7 | 134.9 | 155.2 | -95.6 | 139.9 | -173.2 | 169.9 | 0 | 107.6 | ||||
| 542 | A | 31.2 | Very low | 30.6 | Very low | 87 Ų | 87 | 149 Ų | 149 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | cis | 75.9 | 135.2 | 48.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 543 | S | 33.2 | Very low | 30.4 | Very low | 121 Ų | 121 | 148.5 Ų | 148.5 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | cis | -167.8 | 155.9 | -12.5 | -80.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 544 | A | 25.7 | Very low | 30.3 | Very low | 103 Ų | 103 | 147.8 Ų | 147.8 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -158.1 | 164.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 545 | T | 28.2 | Very low | 30.3 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -146.5 | 137 | -158.4 | -53.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 546 | T | 26.6 | Very low | 30.5 | Very low | 149 Ų | 149 | 144.3 Ų | 144.3 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | trans | -169.7 | 167.1 | 140.4 | 17 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 547 | L | 35 | Very low | 30.7 | Very low | 154 Ų | 154 | 141 Ų | 141 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | -90.7 | 171.5 | -176 | -90.9 | 162.2 | 0 | 0 | 0 | 113 | ||||
| 548 | P | 45.3 | Very low | 30.5 | Very low | 121 Ų | 121 | 147 Ų | 147 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | cis | -119.6 | 164.1 | 43.2 | 17.5 | 7 | 0 | 0 | 0 | 114.5 | ||||
| 549 | E | 28.2 | Very low | 30.2 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | cis | 99.7 | 87.1 | 37.8 | -163.1 | 169.8 | -167.2 | 0 | 0 | 116 | ||||
| 550 | K | 34.2 | Very low | 30.5 | Very low | 155 Ų | 155 | 144 Ų | 144 | 67% | 0.674 | 80% | 0.803 | S | S | * | * | trans | 45.1 | 119 | 130 | -155.1 | -171.6 | -175.5 | -150.6 | 0 | 121.4 | E552 | K550-E552 VanDerWaalsContact CE-OE1 3.25Å; K550-E552 WeakPolarHBondContact CE-OE1 3.38Å; K550-E552 IonicContact NZ-OE1 2.78Å; K550-E552 PolarHBondContact NZ-OE1 2.77Å | ||
| 551 | Q | 28 | Very low | 30.4 | Very low | 198 Ų | 198 | 145.2 Ų | 145.2 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | -149.5 | 172.3 | 128.9 | -121.8 | 179.8 | 29.7 | 0 | 0 | 112.6 | |||||
| 552 | E | 29.8 | Very low | 30.8 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | trans | -116.6 | 143.4 | -158 | -57.7 | 169.1 | 172 | 0 | 0 | 112.4 | K550 | K550-E552 VanDerWaalsContact CE-OE1 3.25Å; K550-E552 WeakPolarHBondContact CE-OE1 3.38Å; K550-E552 IonicContact NZ-OE1 2.78Å; K550-E552 PolarHBondContact NZ-OE1 2.77Å | ||
| 553 | I | 27.3 | Very low | 31.3 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -131.8 | 141.5 | 152.3 | -63.8 | -174 | 0 | 0 | 0 | 109.6 | ||||
| 554 | K | 29 | Very low | 31.2 | Very low | 181 Ų | 181 | 142.5 Ų | 142.5 | 79% | 0.787 | 81% | 0.806 | S | S | * | * | trans | -110.6 | 128.1 | -167.3 | 171.5 | -174.6 | -177.9 | 178.7 | 0 | 109.5 | V556 | K554-V556 HydrophobicContact CG-CG2 4.28Š| ||
| 555 | I | 30.1 | Very low | 31.5 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -111.5 | 131 | 172.6 | -59.5 | -178.7 | 0 | 0 | 0 | 109 | ||||
| 556 | V | 26.2 | Very low | 31.7 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | -126.1 | 147.4 | 179.4 | 167.8 | 0 | 0 | 0 | 0 | 108.9 | K554 | K554-V556 HydrophobicContact CG-CG2 4.28Š| ||
| 557 | S | 31.6 | Very low | 31.7 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -73.1 | 155.3 | -175.2 | 48.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 558 | K | 26.7 | Very low | 31.3 | Very low | 208 Ų | 208 | 140.5 Ų | 140.5 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | trans | -166.7 | 145.6 | 145.6 | -111.5 | 165.4 | -174.7 | 179.9 | 0 | 112.2 | ||||
| 559 | C | 27.3 | Very low | 30.4 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -96.7 | 156.3 | 172.9 | -49.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 560 | P | 33.4 | Very low | 30.4 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -103.2 | 146.8 | 162.5 | 35.6 | -28 | 0 | 0 | 0 | 112.6 | ||||
| 561 | T | 30.2 | Very low | 30.4 | Very low | 133 Ų | 133 | 145.7 Ų | 145.7 | 82% | 0.816 | 83% | 0.827 | S | S | * | * | trans | -118 | 142.6 | 175.2 | -57.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 562 | P | 40.7 | Very low | 30.3 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 161 | -171.1 | 31 | -37.3 | 0 | 0 | 0 | 114.6 | ||
| 563 | P | 41.1 | Very low | 30.6 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 157 | 173.3 | 34 | -35.6 | 0 | 0 | 0 | 112.6 | ||
| 564 | A | 31.6 | Very low | 30.7 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 155.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 565 | G | 30.7 | Very low | 30.7 | Very low | 74 Ų | 74 | 134.5 Ų | 134.5 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | -138.5 | 137.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 566 | H | 32.1 | Very low | 31.3 | Very low | 203 Ų | 203 | 133 Ų | 133 | 94% | 0.94 | 81% | 0.809 | S | S | * | * | trans | -83.9 | 144.5 | -175.3 | -81.5 | -114.4 | 0 | 0 | 0 | 112.9 | ||||
| 567 | G | 26.3 | Very low | 31.3 | Very low | 78 Ų | 78 | 130.7 Ų | 130.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -165 | 69.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 568 | V | 28.2 | Very low | 32 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | 5.9 | 128.9 | 165.7 | -173.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 569 | C | 26.7 | Very low | 32 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | -29.3 | 149.1 | 167.2 | -41.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 570 | R | 27.7 | Very low | 32.1 | Very low | 259 Ų | 259 | 132.5 Ų | 132.5 | 98% | 0.977 | 81% | 0.806 | S | S | * | * | -165 | 178 | 103.2 | -106.7 | -179 | -172 | -126.9 | 0.5 | 114.6 | |||||
| 571 | L | 33.2 | Very low | 32.5 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -118.7 | 143.7 | -162.2 | 173 | 71.3 | 0 | 0 | 0 | 112.4 | ||||
| 572 | G | 27.2 | Very low | 32.3 | Very low | 68 Ų | 68 | 132.1 Ų | 132.1 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | 109.1 | 167.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 573 | K | 35.1 | Very low | 31.7 | Very low | 164 Ų | 164 | 132 Ų | 132 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | cis | -171.5 | 136.3 | -22.5 | -154.6 | -180 | 173.6 | -84.6 | 0 | 107.5 | ||||
| 574 | E | 29 | Very low | 31.1 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 59.8 | 163.2 | 169 | -73.6 | 135.7 | 169.3 | 0 | 0 | 119.5 | ||||
| 575 | G | 30.2 | Very low | 30.9 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | -93.8 | -163.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 576 | P | 41.4 | Very low | 30.8 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | cis | -132.5 | -167.8 | 32.9 | 40.4 | -22.4 | 0 | 0 | 0 | 115 | ||||
| 577 | G | 25.9 | Very low | 30.7 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | -84.5 | -155.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 578 | P | 46.3 | Very low | 30.8 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | cis | -126.1 | -170.2 | 5.4 | 43 | -28.3 | 0 | 0 | 0 | 113.5 | ||||
| 579 | Q | 27.8 | Very low | 31 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | 154.7 | 136.9 | 140.8 | -82.1 | -73.8 | -12 | 0 | 0 | 110.9 | ||||
| 580 | E | 30.3 | Very low | 31.9 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -111.8 | 161.9 | 165.3 | -146.7 | -170 | 152.4 | 0 | 0 | 107 | ||||
| 581 | P | 39.9 | Very low | 32.2 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | -161.4 | 170.1 | 89.3 | 41.8 | -21.5 | 0 | 0 | 0 | 119 | |||||
| 582 | L | 27.2 | Very low | 32.5 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 81.6 | 104.9 | 141.3 | -108.2 | 74 | 0 | 0 | 0 | 123 | ||||
| 583 | T | 27.1 | Very low | 32.7 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | 47.1 | 125.1 | 124.5 | 61.9 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 584 | Q | 28.5 | Very low | 32.8 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | -172.1 | 124.5 | 107.2 | -97.3 | 174.3 | -17.5 | 0 | 0 | 107.1 | |||||
| 585 | E | 28.5 | Very low | 32.8 | Very low | 184 Ų | 184 | 137.5 Ų | 137.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | 78.2 | 105.2 | 53.8 | -167.2 | -179 | -153.9 | 0 | 0 | 114.5 | |||||
| 586 | A | 27.9 | Very low | 33 | Very low | 104 Ų | 104 | 140 Ų | 140 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -165 | 129.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 587 | A | 29.4 | Very low | 32.8 | Very low | 89 Ų | 89 | 138.8 Ų | 138.8 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -143.8 | 140.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 588 | I | 29.2 | Very low | 33.1 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -137.8 | 148.4 | 169.1 | -62.7 | -174.5 | 0 | 0 | 0 | 108.5 | ||||
| 589 | F | 32.2 | Very low | 32.6 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -95.6 | 172.9 | -161.3 | -90.9 | -98.9 | 0 | 0 | 0 | 114.4 | ||||
| 590 | P | 44.8 | Very low | 32.8 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -90.9 | -171.7 | -164.8 | 38.9 | -37.8 | 0 | 0 | 0 | 114.1 | ||||
| 591 | L | 34.3 | Very low | 32.8 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | -127.7 | 131.4 | 171.9 | 179.2 | 64.5 | 0 | 0 | 0 | 110 | ||||
| 592 | E | 40.3 | Very low | 32.5 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -104.7 | 150.9 | 168 | -46.6 | -124.9 | 127.2 | 0 | 0 | 108.8 | ||||
| 593 | D | 31.6 | Very low | 32.7 | Very low | 162 Ų | 162 | 143 Ų | 143 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -163.6 | 161.3 | 139.6 | -151.8 | -0 | 0 | 0 | 0 | 111.5 | ||||
| 594 | D | 37.4 | Very low | 32.9 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -78.9 | 165.8 | -174.4 | -84.6 | -50.8 | 0 | 0 | 0 | 115.2 | ||||
| 595 | G | 29.5 | Very low | 33 | Very low | 82 Ų | 82 | 145.7 Ų | 145.7 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -172.8 | 95.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 596 | S | 34.4 | Very low | 33.4 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -109 | 131.3 | -177.1 | -176.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 597 | S | 36.5 | Very low | 33.4 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -171.7 | 118.4 | 153.7 | 56.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 598 | D | 31.6 | Very low | 33.7 | Very low | 139 Ų | 139 | 151 Ų | 151 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | cis | 65.3 | 99 | 46.6 | -161.9 | 24.5 | 0 | 0 | 0 | 113.6 | ||||
| 599 | L | 35.5 | Very low | 33.6 | Very low | 173 Ų | 173 | 145.9 Ų | 145.9 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -151 | 101.6 | 159.6 | -85.8 | -171.7 | 0 | 0 | 0 | 109.3 | ||||
| 600 | D | 32.3 | Very low | 33.4 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 69% | 0.69 | 81% | 0.805 | S | S | * | * | trans | -68.3 | 150.5 | 161.7 | -179.1 | 21 | 0 | 0 | 0 | 111.2 | E602 | D600-E602 PolarHBondContact OD1-N 3.41Š| ||
| 601 | L | 30.4 | Very low | 32.6 | Very low | 172 Ų | 172 | 147.1 Ų | 147.1 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | trans | -155.9 | 61.2 | 168.1 | -162.2 | 72.7 | 0 | 0 | 0 | 111.7 | ||||
| 602 | E | 33.4 | Very low | 32.3 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | trans | -65.6 | 160.7 | 166.2 | -152.2 | -179.4 | -138.4 | 0 | 0 | 112.5 | D600 | D600-E602 PolarHBondContact OD1-N 3.41Š| ||
| 603 | Q | 31.4 | Very low | 31.8 | Very low | 112 Ų | 112 | 148.5 Ų | 148.5 | 52% | 0.523 | 81% | 0.812 | S | S | . | * | trans | 63.2 | 88.7 | 152.5 | -144.5 | 69.3 | -10 | 0 | 0 | 120.1 | E606 | Q603-E606 PolarHBondContact NE2-OE2 2.88Å; Q603-E606 VanDerWaalsContact NE2-OE2 3.16Å | ||
| 604 | L | 31.3 | Very low | 31.7 | Very low | 168 Ų | 168 | 151.6 Ų | 151.6 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | -152.4 | 96.3 | 138.2 | -149.6 | 89.1 | 0 | 0 | 0 | 114.2 | ||||
| 605 | M | 31.5 | Very low | 31.2 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | 160 | 89.2 | 137.2 | -89.3 | -175.2 | 65.4 | 0 | 0 | 110.6 | ||||
| 606 | E | 35.9 | Very low | 31.1 | Very low | 157 Ų | 157 | 152.6 Ų | 152.6 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -90.3 | 170.2 | 161 | -70.5 | 177.2 | 116.2 | 0 | 0 | 110.7 | Q603 | Q603-E606 PolarHBondContact NE2-OE2 2.88Å; Q603-E606 VanDerWaalsContact NE2-OE2 3.16Å | ||
| 607 | D | 29.5 | Very low | 30.7 | Very low | 157 Ų | 157 | 152 Ų | 152 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | 58.1 | 112.9 | 174.6 | -77.8 | -7.3 | 0 | 0 | 0 | 119.6 | ||||
| 608 | I | 33.8 | Very low | 30.4 | Very low | 175 Ų | 175 | 156.4 Ų | 156.4 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | -150.7 | 125.7 | 110.6 | -94.5 | 149.9 | 0 | 0 | 0 | 109.3 | |||||
| 609 | G | 27.6 | Very low | 30.2 | Very low | 66 Ų | 66 | 158 Ų | 158 | 68% | 0.68 | 82% | 0.816 | S | S | * | * | trans | 83 | 89.6 | 144.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 610 | E | 28.8 | Very low | 30 | Very low | 190 Ų | 190 | 161.5 Ų | 161.5 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -62.1 | 154.4 | 149 | -66.3 | -170.4 | 129.4 | 0 | 0 | 110.9 | ||||
| 611 | T | 27.1 | Very low | 29.8 | Very low | 138 Ų | 138 | 162.7 Ų | 162.7 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | trans | -149.5 | 111 | 156 | -65.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 612 | E | 29.6 | Very low | 29.7 | Very low | 176 Ų | 176 | 158.1 Ų | 158.1 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -67.1 | 142.6 | 164.5 | -65.4 | -168.2 | 114.1 | 0 | 0 | 110.1 | ||||
| 613 | E | 29.5 | Very low | 29.6 | Very low | 196 Ų | 196 | 156 Ų | 156 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -134.7 | 125.4 | 147.1 | -162.2 | 172.4 | -134.9 | 0 | 0 | 111 | ||||
| 614 | R | 29.1 | Very low | 29.7 | Very low | 227 Ų | 227 | 160 Ų | 160 | 86% | 0.857 | 84% | 0.839 | S | S | * | * | trans | -114.1 | 76.7 | -170.1 | -174.2 | -176.5 | -176.7 | -82.5 | 1.5 | 109.5 | ||||
| 615 | G | 26.3 | Very low | 29.8 | Very low | 72 Ų | 72 | 155.4 Ų | 155.4 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -99 | 132.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 616 | E | 26.9 | Very low | 29.7 | Very low | 194 Ų | 194 | 156.9 Ų | 156.9 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -68 | 158.4 | -166.8 | -67.7 | 174.4 | 103.1 | 0 | 0 | 117.3 | ||
| 617 | S | 27 | Very low | 29.9 | Very low | 109 Ų | 109 | 158 Ų | 158 | 76% | 0.762 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 144.4 | 166.6 | 52.4 | 0 | 0 | 0 | 0 | 114 | ||
| 618 | Q | 29.1 | Very low | 30 | Very low | 202 Ų | 202 | 154.9 Ų | 154.9 | 94% | 0.944 | 84% | 0.841 | S | S | * | * | trans | -126.5 | 140.8 | 142.4 | -83 | -164.6 | 2.3 | 0 | 0 | 111.7 | ||||
| 619 | Q | 29.1 | Very low | 30.2 | Very low | 171 Ų | 171 | 150.8 Ų | 150.8 | 80% | 0.799 | 83% | 0.833 | S | S | * | * | trans | -109.2 | 138.7 | -171.4 | 173.5 | -177.6 | -16.4 | 0 | 0 | 109.4 | ||||
| 620 | R | 29.8 | Very low | 30.6 | Very low | 248 Ų | 248 | 155.9 Ų | 155.9 | 94% | 0.936 | 84% | 0.843 | S | S | * | * | trans | -150.3 | 134.8 | 163.4 | -125.1 | 177.6 | -168.2 | -93.1 | -1.7 | 111.3 | ||||
| 621 | D | 29.3 | Very low | 31.1 | Very low | 153 Ų | 153 | 155.6 Ų | 155.6 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | -70.2 | 155.6 | -175.3 | -64.8 | -77.8 | 0 | 0 | 0 | 114.2 | ||||
| 622 | G | 28.5 | Very low | 31.7 | Very low | 76 Ų | 76 | 158.1 Ų | 158.1 | 78% | 0.784 | 84% | 0.842 | S | S | * | * | trans | -171.2 | 74.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 623 | S | 31.4 | Very low | 32.1 | Very low | 110 Ų | 110 | 162.5 Ų | 162.5 | 77% | 0.769 | 86% | 0.862 | S | S | * | * | trans | -62.4 | 158.1 | 166.9 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 624 | E | 32.3 | Very low | 32.2 | Very low | 197 Ų | 197 | 160.9 Ų | 160.9 | 92% | 0.921 | 86% | 0.86 | S | S | * | * | cis | -139.5 | 176 | 15.5 | -60 | 167 | 129.4 | 0 | 0 | 108 | ||||
| 625 | G | 32.8 | Very low | 32.4 | Very low | 72 Ų | 72 | 157.4 Ų | 157.4 | 74% | 0.742 | 86% | 0.86 | S | S | * | * | cis | 179.5 | 151.2 | -0.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 626 | F | 31.4 | Very low | 32.7 | Very low | 209 Ų | 209 | 162.1 Ų | 162.1 | 92% | 0.917 | 87% | 0.866 | S | S | * | * | trans | -79.3 | 138 | -179.3 | -95.8 | -109.1 | 0 | 0 | 0 | 112.4 | ||||
| 627 | L | 38.3 | Very low | 33.1 | Very low | 179 Ų | 179 | 160.2 Ų | 160.2 | 94% | 0.937 | 86% | 0.864 | S | S | * | * | trans | -134 | 148.6 | 143.4 | -88.1 | -179.6 | 0 | 0 | 0 | 110.1 | ||||
| 628 | A | 32.8 | Very low | 33.5 | Very low | 93 Ų | 93 | 163.4 Ų | 163.4 | 77% | 0.769 | 87% | 0.87 | S | S | * | * | trans | -110.5 | 174.4 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 629 | A | 36.8 | Very low | 33.8 | Very low | 89 Ų | 89 | 160.9 Ų | 160.9 | 74% | 0.736 | 87% | 0.866 | S | S | * | * | trans | -51.8 | 153 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 630 | L | 37.6 | Very low | 34.1 | Very low | 172 Ų | 172 | 160.1 Ų | 160.1 | 90% | 0.901 | 87% | 0.87 | S | S | * | * | trans | -121.1 | 144.9 | 151.4 | -97.8 | 160.8 | 0 | 0 | 0 | 108.6 | ||||
| 631 | F | 39.1 | Very low | 34.4 | Very low | 184 Ų | 184 | 153.4 Ų | 153.4 | 81% | 0.807 | 87% | 0.865 | S | S | * | * | trans | -119.5 | 162.5 | 174.4 | -108.6 | -93.4 | 0 | 0 | 0 | 107.2 | ||||
| 632 | E | 38.9 | Very low | 34.9 | Very low | 192 Ų | 192 | 153.4 Ų | 153.4 | 90% | 0.897 | 87% | 0.869 | S | S | * | * | trans | 68 | 145 | -179 | -54.4 | 170.2 | 149.6 | 0 | 0 | 112.1 | ||||
| 633 | E | 38.4 | Very low | 35.4 | Very low | 268 Ų | 268 | 160.5 Ų | 160.5 | 100% | 1.252 | 88% | 0.877 | S | S | * | * | cis | -113.6 | 0 | 12.9 | -167.6 | 171.7 | 154.5 | 0 | 0 | 112.1 |
Retrieved 633 of 633 residues in 171.7 ms
(Link to these results)