| 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 | 38.5 | Very low | 51 | Low | 239 Ų | 239 | 150.8 Ų | 150.8 | 100% | 1.177 | 82% | 0.821 | S | S | * | * | 0 | 102.9 | 0 | -66.6 | -65.7 | -172.3 | 0 | 0 | 108.3 | |||||
| 2 | A | 40.5 | Very low | 53.1 | Low | 98 Ų | 98 | 144.1 Ų | 144.1 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -96.2 | 110.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | S4 | A2-S4 PolarHBondContact O-N 2.84Š| ||
| 3 | T | 42.2 | Very low | 54.5 | Low | 129 Ų | 129 | 137.1 Ų | 137.1 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | -85.1 | 94.5 | 178 | 45.7 | 0 | 0 | 0 | 0 | 110 | K5 | T3-K5 PolarHBondContact O-N 3.33Š| ||
| 4 | S | 48.9 | Very low | 56.4 | Low | 116 Ų | 116 | 136.6 Ų | 136.6 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | trans | -58.3 | 106 | 174.8 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | A2 K6 | A2-S4 PolarHBondContact O-N 2.84Å; S4-K6 PolarHBondContact O-N 3.17Å | ||
| 5 | K | 48.8 | Very low | 58.1 | Low | 202 Ų | 202 | 134.4 Ų | 134.4 | 88% | 0.878 | 72% | 0.717 | S | S | * | * | trans | -63.5 | 99 | 174.2 | -72.7 | -179.8 | 177.6 | 177.5 | 0 | 109.1 | T3 G7 | T3-K5 PolarHBondContact O-N 3.33Å; K5-G7 PolarHBondContact O-N 3.38Å | ||
| 6 | K | 54.3 | Low | 59.4 | Low | 201 Ų | 201 | 129.2 Ų | 129.2 | 87% | 0.874 | 69% | 0.689 | S | S | * | * | trans | -69.9 | 103.9 | 174.7 | -164.4 | 137.9 | -178.3 | 175.5 | 0 | 108.3 | S4 K8 | S4-K6 PolarHBondContact O-N 3.17Å; K6-K8 PolarHBondContact O-N 3.47Å | ||
| 7 | G | 51.8 | Low | 60.8 | Low | 62 Ų | 62 | 126.9 Ų | 126.9 | 64% | 0.639 | 67% | 0.668 | S | S | * | * | trans | -55.3 | 129.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | K5 K9 | K5-G7 PolarHBondContact O-N 3.38Å; G7-K9 PolarHBondContact O-N 3.1Å; G7-K9 VanDerWaalsContact O-N 3.13Å | ||
| 8 | K | 55.8 | Low | 62.3 | Low | 203 Ų | 203 | 130.3 Ų | 130.3 | 88% | 0.883 | 67% | 0.67 | S | S | * | * | trans | -62.4 | 114.4 | 171 | -65.9 | 180 | 178.6 | -177.4 | 0 | 106.9 | K6 V10 | K6-K8 PolarHBondContact O-N 3.47Å; K8-V10 PolarHBondContact O-N 2.96Å | ||
| 9 | K | 61.7 | Low | 63.5 | Low | 179 Ų | 179 | 129.8 Ų | 129.8 | 78% | 0.778 | 67% | 0.668 | S | S | * | * | trans | -64.8 | 108.4 | 167.8 | -73.4 | -171.1 | 172.7 | -165.8 | 0 | 106.9 | G7 V11 | G7-K9 PolarHBondContact O-N 3.1Å; G7-K9 VanDerWaalsContact O-N 3.13Å; K9-V11 PolarHBondContact O-N 3.44Å | ||
| 10 | V | 59.8 | Low | 64.3 | Low | 129 Ų | 129 | 125.9 Ų | 125.9 | 78% | 0.782 | 65% | 0.648 | S | S | * | * | trans | -63.2 | 113.4 | 162.1 | 176.1 | 0 | 0 | 0 | 0 | 105.2 | K8 N12 | K8-V10 PolarHBondContact O-N 2.96Å; V10-N12 PolarHBondContact O-N 3.29Å | ||
| 11 | V | 59 | Low | 65.4 | Low | 101 Ų | 101 | 128.5 Ų | 128.5 | 61% | 0.612 | 65% | 0.649 | S | S | * | * | trans | -63.7 | 107.6 | 175 | 175.1 | 0 | 0 | 0 | 0 | 106.4 | K9 | K9-V11 PolarHBondContact O-N 3.44Š| ||
| 12 | N | 75.8 | Confident | 67.7 | Low | 70 Ų | 70 | 120.1 Ų | 120.1 | 37% | 0.374 | 61% | 0.607 | S | S | . | * | trans | -67.7 | 137.3 | 178.5 | 179.8 | -9.3 | 0 | 0 | 0 | 108 | V10 E14 E15 L16 | V10-N12 PolarHBondContact O-N 3.29Å; N12-E14 PolarHBondContact ND2-OE2 3.3Å; N12-E14 PolarHBondContact O-N 3.28Å; N12-E14 PolarHBondContact OD1-N 2.88Å; N12-E15 HydrophobicContact CB-CG 4.38Å; N12-E15 WeakPolarHBondContact O-CA 3.41Å; N12-E15 WeakPolarHBondContact O-CB 3.47Å; N12-E15 PolarHBondContact O-N 3.26Å; N12-L16 PolarHBondContact O-N 2.95Å; N12-L16 VanDerWaalsContact O-N 3.16Å | ||
| 13 | Q | 71.4 | Confident | 69.8 | Low | 53 Ų | 53 | 120.3 Ų | 120.3 | 25% | 0.248 | 59% | 0.59 | C | S | . | * | H | α-helix | trans | -50.7 | -30.2 | 173.4 | -168.5 | -175.8 | 95.1 | 0 | 0 | 111.9 | R17 | Q13-R17 VanDerWaalsContact CD-NH2 3.28Å; Q13-R17 WeakPolarHBondContact O-CG 3.15Å; Q13-R17 PolarHBondContact O-N 2.91Å |
| 14 | E | 80.6 | Confident | 71.6 | Confident | 131 Ų | 131 | 120.7 Ų | 120.7 | 61% | 0.612 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -73.2 | -34.4 | 174.1 | -61.1 | 174.5 | 125.7 | 0 | 0 | 113.8 | N12 R18 | N12-E14 PolarHBondContact ND2-OE2 3.3Å; N12-E14 PolarHBondContact O-N 3.28Å; N12-E14 PolarHBondContact OD1-N 2.88Å; E14-R18 WeakPolarHBondContact O-CB 3.36Å; E14-R18 PolarHBondContact O-N 2.97Å |
| 15 | E | 82.6 | Confident | 73.1 | Confident | 103 Ų | 103 | 120.1 Ų | 120.1 | 48% | 0.481 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.5 | -41.2 | 171.8 | -77.1 | -168.5 | 141 | 0 | 0 | 110.5 | N12 R18 L19 | N12-E15 HydrophobicContact CB-CG 4.38Å; N12-E15 WeakPolarHBondContact O-CA 3.41Å; N12-E15 WeakPolarHBondContact O-CB 3.47Å; N12-E15 PolarHBondContact O-N 3.26Å; E15-R18 PolarHBondContact O-N 2.85Å; E15-L19 WeakPolarHBondContact O-CB 3.39Å; E15-L19 PolarHBondContact O-N 3.2Å |
| 16 | L | 78.8 | Confident | 74.7 | Confident | 51 Ų | 51 | 115 Ų | 115 | 27% | 0.267 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.8 | -48.7 | 177.6 | -176 | 56.7 | 0 | 0 | 0 | 111.7 | N12 R18 L19 M20 I269 I273 | N12-L16 PolarHBondContact O-N 2.95Å; N12-L16 VanDerWaalsContact O-N 3.16Å; L16-R18 VanDerWaalsContact C-N 3.26Å; L16-R18 PolarHBondContact O-N 3.28Å; L16-L19 PolarHBondContact O-N 3.04Å; L16-L19 VanDerWaalsContact O-N 3.13Å; L16-M20 HydrophobicContact CD1-CG 4.45Å; L16-M20 WeakPolarHBondContact O-CB 3.31Å; L16-M20 VanDerWaalsContact O-CG 3.24Å; L16-M20 WeakPolarHBondContact O-CG 3.42Å; L16-M20 PolarHBondContact O-N 3.11Å; L16-I269 HydrophobicContact CD2-CG2 3.9Å; L16-I273 HydrophobicContact CD2-CD1 4.07Å |
| 17 | R | 82.9 | Confident | 75.8 | Confident | 91 Ų | 91 | 107.8 Ų | 107.8 | 34% | 0.343 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.5 | -37.4 | 173.4 | -76.4 | -177.1 | -178.4 | 129.4 | 16.6 | 112.9 | Q13 R21 | Q13-R17 VanDerWaalsContact CD-NH2 3.28Å; Q13-R17 WeakPolarHBondContact O-CG 3.15Å; Q13-R17 PolarHBondContact O-N 2.91Å; R17-R21 WeakPolarHBondContact O-CG 3.44Å; R17-R21 PolarHBondContact O-N 2.75Å |
| 18 | R | 87.8 | Confident | 77 | Confident | 187 Ų | 187 | 108.4 Ų | 108.4 | 71% | 0.706 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.9 | -45.1 | 175.1 | -177.5 | 179.3 | 178.7 | -176 | 0.1 | 111 | E14 E15 L16 M20 R21 E22 | E14-R18 WeakPolarHBondContact O-CB 3.36Å; E14-R18 PolarHBondContact O-N 2.97Å; E15-R18 PolarHBondContact O-N 2.85Å; L16-R18 VanDerWaalsContact C-N 3.26Å; L16-R18 PolarHBondContact O-N 3.28Å; R18-M20 VanDerWaalsContact C-N 3.32Å; R18-M20 PolarHBondContact O-N 3.47Å; R18-R21 PolarHBondContact O-N 2.96Å; R18-E22 VanDerWaalsContact O-CB 3.3Å; R18-E22 WeakPolarHBondContact O-CB 3.17Å; R18-E22 PolarHBondContact O-N 2.74Å |
| 19 | L | 84.8 | Confident | 77.9 | Confident | 121 Ų | 121 | 102.7 Ų | 102.7 | 63% | 0.634 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.5 | -39 | 178.9 | -156.9 | 75.6 | 0 | 0 | 0 | 111.8 | E15 L16 E22 K23 | E15-L19 WeakPolarHBondContact O-CB 3.39Å; E15-L19 PolarHBondContact O-N 3.2Å; L16-L19 PolarHBondContact O-N 3.04Å; L16-L19 VanDerWaalsContact O-N 3.13Å; L19-E22 PolarHBondContact O-N 2.88Å; L19-K23 WeakPolarHBondContact O-CB 3.28Å; L19-K23 PolarHBondContact O-N 3.38Å |
| 20 | M | 80.8 | Confident | 78.6 | Confident | 51 Ų | 51 | 101.8 Ų | 101.8 | 25% | 0.251 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 175.2 | -71.3 | -72 | -80.6 | 0 | 0 | 112 | L16 R18 E22 K23 Q24 I266 | L16-M20 HydrophobicContact CD1-CG 4.45Å; L16-M20 WeakPolarHBondContact O-CB 3.31Å; L16-M20 VanDerWaalsContact O-CG 3.24Å; L16-M20 WeakPolarHBondContact O-CG 3.42Å; L16-M20 PolarHBondContact O-N 3.11Å; R18-M20 VanDerWaalsContact C-N 3.32Å; R18-M20 PolarHBondContact O-N 3.47Å; M20-E22 VanDerWaalsContact C-N 3.31Å; M20-E22 PolarHBondContact O-N 2.65Å; M20-K23 PolarHBondContact O-N 3.01Å; M20-Q24 WeakPolarHBondContact O-CB 3.48Å; M20-Q24 PolarHBondContact O-N 3.44Å; M20-I266 HydrophobicContact CE-CB 3.89Å; M20-I266 HydrophobicContact CE-CD1 3.84Å; M20-I266 HydrophobicContact CE-CG1 3.47Å; M20-I266 VanDerWaalsContact CE-CG1 3.47Å; M20-I266 HydrophobicContact CE-CG2 3.35Å; M20-I266 HydrophobicContact SD-CD1 4.29Å; M20-I266 HydrophobicContact SD-CG1 4.06Å |
| 21 | R | 87 | Confident | 79.2 | Confident | 182 Ų | 182 | 100.8 Ų | 100.8 | 69% | 0.687 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.4 | -35.5 | 173.9 | -72.2 | 178.2 | 179.5 | -173 | 0.1 | 112.7 | R17 R18 R25 | R17-R21 WeakPolarHBondContact O-CG 3.44Å; R17-R21 PolarHBondContact O-N 2.75Å; R18-R21 PolarHBondContact O-N 2.96Å; R21-R25 VanDerWaalsContact O-CB 3.3Å; R21-R25 WeakPolarHBondContact O-CB 3.37Å; R21-R25 PolarHBondContact O-N 3.38Å |
| 22 | E | 86.5 | Confident | 80.2 | Confident | 63 Ų | 63 | 101.5 Ų | 101.5 | 29% | 0.294 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 175.2 | -165.4 | 68.5 | -148.7 | 0 | 0 | 110.9 | R18 L19 M20 R25 Q26 | R18-E22 VanDerWaalsContact O-CB 3.3Å; R18-E22 WeakPolarHBondContact O-CB 3.17Å; R18-E22 PolarHBondContact O-N 2.74Å; L19-E22 PolarHBondContact O-N 2.88Å; M20-E22 VanDerWaalsContact C-N 3.31Å; M20-E22 PolarHBondContact O-N 2.65Å; E22-R25 PolarHBondContact O-N 3.1Å; E22-R25 IonicContact OE1-CZ 3.31Å; E22-R25 VanDerWaalsContact OE1-CZ 3.31Å; E22-R25 IonicContact OE1-NH1 3.08Å; E22-R25 PolarHBondContact OE1-NH1 2.89Å; E22-R25 VanDerWaalsContact OE1-NH1 3.08Å; E22-R25 IonicContact OE1-NH2 2.73Å; E22-R25 PolarHBondContact OE1-NH2 3.16Å; E22-R25 IonicContact OE2-CZ 3.78Å; E22-R25 IonicContact OE2-NH1 2.79Å; E22-R25 PolarHBondContact OE2-NH1 3.21Å; E22-R25 IonicContact OE2-NH2 3.91Å; E22-Q26 WeakPolarHBondContact O-CB 3.49Å; E22-Q26 WeakPolarHBondContact O-CG 3.33Å; E22-Q26 PolarHBondContact O-N 2.79Å |
| 23 | K | 85.4 | Confident | 80.6 | Confident | 101 Ų | 101 | 99.3 Ų | 99.3 | 44% | 0.439 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 176.4 | -170.2 | 177.4 | -179.5 | -175.5 | 0 | 111.7 | L19 M20 Q26 N27 | L19-K23 WeakPolarHBondContact O-CB 3.28Å; L19-K23 PolarHBondContact O-N 3.38Å; M20-K23 PolarHBondContact O-N 3.01Å; K23-Q26 PolarHBondContact O-N 3.38Å; K23-N27 WeakPolarHBondContact O-CB 3.22Å; K23-N27 PolarHBondContact O-N 2.84Å |
| 24 | Q | 79.6 | Confident | 81 | Confident | 138 Ų | 138 | 106.5 Ų | 106.5 | 65% | 0.645 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.1 | -43.6 | 174.2 | -168.2 | 179.1 | 38.1 | 0 | 0 | 111.2 | M20 N27 T28 | M20-Q24 WeakPolarHBondContact O-CB 3.48Å; M20-Q24 PolarHBondContact O-N 3.44Å; Q24-N27 WeakPolarHBondContact O-CB 3.48Å; Q24-N27 PolarHBondContact O-N 3.1Å; Q24-T28 PolarHBondContact O-N 2.94Å |
| 25 | R | 80.8 | Confident | 81 | Confident | 103 Ų | 103 | 101.9 Ų | 101.9 | 39% | 0.389 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 176 | -156.5 | -173.6 | 76.8 | -105.6 | -10.7 | 111.6 | R21 E22 N27 T28 E29 | R21-R25 VanDerWaalsContact O-CB 3.3Å; R21-R25 WeakPolarHBondContact O-CB 3.37Å; R21-R25 PolarHBondContact O-N 3.38Å; E22-R25 PolarHBondContact O-N 3.1Å; E22-R25 IonicContact OE1-CZ 3.31Å; E22-R25 VanDerWaalsContact OE1-CZ 3.31Å; E22-R25 IonicContact OE1-NH1 3.08Å; E22-R25 PolarHBondContact OE1-NH1 2.89Å; E22-R25 VanDerWaalsContact OE1-NH1 3.08Å; E22-R25 IonicContact OE1-NH2 2.73Å; E22-R25 PolarHBondContact OE1-NH2 3.16Å; E22-R25 IonicContact OE2-CZ 3.78Å; E22-R25 IonicContact OE2-NH1 2.79Å; E22-R25 PolarHBondContact OE2-NH1 3.21Å; E22-R25 IonicContact OE2-NH2 3.91Å; R25-N27 VanDerWaalsContact C-N 3.29Å; R25-N27 PolarHBondContact O-N 3.25Å; R25-T28 WeakPolarHBondContact CA-OG1 3.4Å; R25-T28 CarbonylContact O-C 3.51Å; R25-T28 PolarHBondContact O-N 3.24Å; R25-T28 VanDerWaalsContact O-N 3.12Å; R25-T28 PolarHBondContact O-OG1 3.3Å; R25-E29 WeakPolarHBondContact CD-OE1 3.24Å; R25-E29 HydrophobicContact CG-CG 4.5Å; R25-E29 IonicContact CZ-OE1 3.73Å; R25-E29 IonicContact NE-OE1 2.79Å; R25-E29 PolarHBondContact NE-OE1 3Å; R25-E29 IonicContact NE-OE2 3.81Å; R25-E29 IonicContact NH2-OE1 3.8Å; R25-E29 IonicContact NH2-OE2 3.69Å; R25-E29 WeakPolarHBondContact O-CB 3.38Å; R25-E29 WeakPolarHBondContact O-CG 3.29Å; R25-E29 PolarHBondContact O-N 2.94Å |
| 26 | Q | 81.3 | Confident | 81.1 | Confident | 94 Ų | 94 | 102.7 Ų | 102.7 | 44% | 0.439 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60 | -36.8 | 173.6 | -75.7 | -179.4 | 18.1 | 0 | 0 | 112.4 | E22 K23 E29 K30 | E22-Q26 WeakPolarHBondContact O-CB 3.49Å; E22-Q26 WeakPolarHBondContact O-CG 3.33Å; E22-Q26 PolarHBondContact O-N 2.79Å; K23-Q26 PolarHBondContact O-N 3.38Å; Q26-E29 PolarHBondContact O-N 3.33Å; Q26-K30 WeakPolarHBondContact O-CB 3.42Å; Q26-K30 VanDerWaalsContact O-CG 3.27Å; Q26-K30 WeakPolarHBondContact O-CG 3.49Å; Q26-K30 PolarHBondContact O-N 3.13Å |
| 27 | N | 78.5 | Confident | 81.4 | Confident | 51 Ų | 51 | 104 Ų | 104 | 27% | 0.273 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 173.3 | -161.5 | -14.6 | 0 | 0 | 0 | 110.8 | K23 Q24 R25 E29 K30 K31 E259 | K23-N27 WeakPolarHBondContact O-CB 3.22Å; K23-N27 PolarHBondContact O-N 2.84Å; Q24-N27 WeakPolarHBondContact O-CB 3.48Å; Q24-N27 PolarHBondContact O-N 3.1Å; R25-N27 VanDerWaalsContact C-N 3.29Å; R25-N27 PolarHBondContact O-N 3.25Å; N27-E29 VanDerWaalsContact C-N 3.32Å; N27-E29 PolarHBondContact O-N 3.43Å; N27-K30 PolarHBondContact O-N 2.96Å; N27-K31 WeakPolarHBondContact O-CB 3.46Å; N27-K31 WeakPolarHBondContact O-CG 3.35Å; N27-K31 PolarHBondContact O-N 3.25Å; N27-K31 WeakPolarHBondContact OD1-CD 3.28Å; N27-K31 WeakPolarHBondContact OD1-CE 3.47Å; N27-K31 PolarHBondContact OD1-NZ 3.21Å; N27-E259 PolarHBondContact ND2-OE1 3.42Å |
| 28 | T | 75.9 | Confident | 81.8 | Confident | 74 Ų | 74 | 100.8 Ų | 100.8 | 45% | 0.454 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.4 | -23.2 | 174.2 | 63.7 | 0 | 0 | 0 | 0 | 114.8 | Q24 R25 K31 R32 | Q24-T28 PolarHBondContact O-N 2.94Å; R25-T28 WeakPolarHBondContact CA-OG1 3.4Å; R25-T28 CarbonylContact O-C 3.51Å; R25-T28 PolarHBondContact O-N 3.24Å; R25-T28 VanDerWaalsContact O-N 3.12Å; R25-T28 PolarHBondContact O-OG1 3.3Å; T28-K31 CarbonylContact O-C 3.34Å; T28-R32 WeakPolarHBondContact O-CB 3.42Å; T28-R32 WeakPolarHBondContact O-CG 3.43Å |
| 29 | E | 75.8 | Confident | 81.8 | Confident | 84 Ų | 84 | 98.1 Ų | 98.1 | 39% | 0.393 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -83.1 | -31.7 | 175.7 | -75.1 | 169.6 | -178.7 | 0 | 0 | 111.8 | R25 Q26 N27 R32 | R25-E29 WeakPolarHBondContact CD-OE1 3.24Å; R25-E29 HydrophobicContact CG-CG 4.5Å; R25-E29 IonicContact CZ-OE1 3.73Å; R25-E29 IonicContact NE-OE1 2.79Å; R25-E29 PolarHBondContact NE-OE1 3Å; R25-E29 IonicContact NE-OE2 3.81Å; R25-E29 IonicContact NH2-OE1 3.8Å; R25-E29 IonicContact NH2-OE2 3.69Å; R25-E29 WeakPolarHBondContact O-CB 3.38Å; R25-E29 WeakPolarHBondContact O-CG 3.29Å; R25-E29 PolarHBondContact O-N 2.94Å; Q26-E29 PolarHBondContact O-N 3.33Å; N27-E29 VanDerWaalsContact C-N 3.32Å; N27-E29 PolarHBondContact O-N 3.43Å; E29-R32 WeakPolarHBondContact O-CB 3.33Å |
| 30 | K | 74.8 | Confident | 82 | Confident | 159 Ų | 159 | 95.1 Ų | 95.1 | 69% | 0.691 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.5 | -41.9 | 167.4 | -72.6 | 172.5 | 176.6 | -168.7 | 0 | 111.7 | Q26 N27 R32 | Q26-K30 WeakPolarHBondContact O-CB 3.42Å; Q26-K30 VanDerWaalsContact O-CG 3.27Å; Q26-K30 WeakPolarHBondContact O-CG 3.49Å; Q26-K30 PolarHBondContact O-N 3.13Å; N27-K30 PolarHBondContact O-N 2.96Å; K30-R32 PolarHBondContact O-N 3.2Å; K30-R32 VanDerWaalsContact O-N 3.13Å |
| 31 | K | 72.7 | Confident | 82.4 | Confident | 109 Ų | 109 | 96.9 Ų | 96.9 | 47% | 0.474 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 39.4 | 172.7 | -62.7 | 170.7 | 178.1 | 159.6 | 0 | 110.8 | N27 T28 E58 E259 | N27-K31 WeakPolarHBondContact O-CB 3.46Å; N27-K31 WeakPolarHBondContact O-CG 3.35Å; N27-K31 PolarHBondContact O-N 3.25Å; N27-K31 WeakPolarHBondContact OD1-CD 3.28Å; N27-K31 WeakPolarHBondContact OD1-CE 3.47Å; N27-K31 PolarHBondContact OD1-NZ 3.21Å; T28-K31 CarbonylContact O-C 3.34Å; K31-E58 VanDerWaalsContact C-CD 3.45Å; K31-E259 IonicContact NZ-OE1 3.32Å; K31-E259 PolarHBondContact NZ-OE1 2.98Å; K31-E259 IonicContact NZ-OE2 3.03Å; K31-E259 PolarHBondContact NZ-OE2 3.05Å |
| 32 | R | 81.4 | Confident | 82.3 | Confident | 116 Ų | 116 | 93.7 Ų | 93.7 | 44% | 0.438 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -128.4 | 129.9 | 174.8 | -109.6 | -177.8 | 177.6 | 163.6 | 4.2 | 111.8 | T28 E29 K30 E34 Y40 E58 | T28-R32 WeakPolarHBondContact O-CB 3.42Å; T28-R32 WeakPolarHBondContact O-CG 3.43Å; E29-R32 WeakPolarHBondContact O-CB 3.33Å; K30-R32 PolarHBondContact O-N 3.2Å; K30-R32 VanDerWaalsContact O-N 3.13Å; R32-E34 PolarHBondContact O-N 3.39Å; R32-Y40 HydrophobicContact CG-CE1 4.11Å; R32-Y40 HydrophobicContact CG-CE2 4.06Å; R32-E58 WeakPolarHBondContact CA-OE1 3.46Å; R32-E58 PolarHBondContact N-OE1 3.39Å; R32-E58 VanDerWaalsContact N-OE1 3.13Å |
| 33 | V | 83.2 | Confident | 82.1 | Confident | 24 Ų | 24 | 97 Ų | 97 | 15% | 0.145 | 48% | 0.478 | C | S | . | . | trans | -69.9 | 98.2 | 177.9 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | S35 A38 Y40 L46 E58 W61 | V33-S35 VanDerWaalsContact C-N 3.29Å; V33-S35 PolarHBondContact O-N 2.87Å; V33-A38 HydrophobicContact CB-CB 4.39Å; V33-A38 HydrophobicContact CG1-CB 3.94Å; V33-Y40 WeakPolarHBondContact CB-OH 3.14Å; V33-Y40 PolarHBondContact N-OH 2.95Å; V33-L46 HydrophobicContact CB-CD2 4.33Å; V33-L46 HydrophobicContact CG2-CD2 3.79Å; V33-E58 HydrophobicContact CG2-CG 4.28Å; V33-E58 WeakPolarHBondContact CG2-OE1 3.38Å; V33-E58 WeakPolarHBondContact CG2-OE2 3.32Å; V33-E58 PolarHBondContact N-OE1 2.9Å; V33-E58 PolarHBondContact N-OE2 3.26Å; V33-W61 HydrophobicContact CB-CG 4.33Å; V33-W61 HydrophobicContact CG1-CB 4.37Å; V33-W61 HydrophobicContact CG1-CD2 3.96Å; V33-W61 HydrophobicContact CG1-CG 3.6Å; V33-W61 VanDerWaalsContact CG1-NE1 3.34Å; V33-W61 HydrophobicContact CG2-CB 3.75Å; V33-W61 HydrophobicContact CG2-CG 3.87Å | ||
| 34 | E | 80.4 | Confident | 81.9 | Confident | 203 Ų | 203 | 94 Ų | 94 | 95% | 0.949 | 48% | 0.476 | S | S | * | . | trans | -83.7 | 73.7 | 169.1 | -158.9 | 154.6 | -129.6 | 0 | 0 | 110.3 | R32 | R32-E34 PolarHBondContact O-N 3.39Š| ||
| 35 | S | 80.1 | Confident | 82.1 | Confident | 34 Ų | 34 | 92.1 Ų | 92.1 | 24% | 0.238 | 47% | 0.468 | C | S | . | . | trans | -118 | 138.6 | 179.4 | -174.7 | 0 | 0 | 0 | 0 | 111.2 | V33 F37 A38 | V33-S35 VanDerWaalsContact C-N 3.29Å; V33-S35 PolarHBondContact O-N 2.87Å; S35-F37 PolarHBondContact O-N 3.35Å; S35-A38 WeakPolarHBondContact O-CB 3.36Å; S35-A38 PolarHBondContact O-N 2.9Å | ||
| 36 | P | 85.4 | Confident | 82.6 | Confident | 120 Ų | 120 | 87.6 Ų | 87.6 | 78% | 0.779 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17.1 | -177.1 | -27.7 | 35.6 | 0 | 0 | 0 | 116.1 | ||
| 37 | F | 85.1 | Confident | 83 | Confident | 80 Ų | 80 | 84.5 Ų | 84.5 | 35% | 0.351 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -2.3 | 178.5 | -50.7 | -61.3 | 0 | 0 | 0 | 113.5 | S35 V49 L50 W61 | S35-F37 PolarHBondContact O-N 3.35Å; F37-V49 PolarHBondContact O-N 2.84Å; F37-L50 HydrophobicContact CB-CD1 4.48Å; F37-L50 HydrophobicContact CB-CG 4.24Å; F37-L50 HydrophobicContact CD1-CD1 3.65Å; F37-L50 HydrophobicContact CD1-CD2 3.84Å; F37-L50 HydrophobicContact CD1-CG 3.62Å; F37-L50 HydrophobicContact CD2-CD1 4.14Å; F37-L50 HydrophobicContact CE1-CD1 3.82Å; F37-L50 HydrophobicContact CE1-CD2 4.1Å; F37-L50 HydrophobicContact CE1-CG 4.16Å; F37-L50 HydrophobicContact CE2-CD1 4.29Å; F37-L50 HydrophobicContact CG-CD1 3.82Å; F37-L50 HydrophobicContact CG-CG 3.95Å; F37-L50 HydrophobicContact CZ-CD1 4.14Å; F37-W61 HydrophobicContact CB-CZ2 4.43Å; F37-W61 WeakPolarHBondContact O-CH2 3.46Å |
| 38 | A | 90.3 | Very high | 83.6 | Confident | 23 Ų | 23 | 82.1 Ų | 82.1 | 19% | 0.19 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 133.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V33 S35 L46 W61 | V33-A38 HydrophobicContact CB-CB 4.39Å; V33-A38 HydrophobicContact CG1-CB 3.94Å; S35-A38 WeakPolarHBondContact O-CB 3.36Å; S35-A38 PolarHBondContact O-N 2.9Å; A38-L46 HydrophobicContact CB-CD1 3.72Å; A38-W61 VanDerWaalsContact CA-CH2 3.5Å; A38-W61 HydrophobicContact CB-CH2 3.84Å; A38-W61 HydrophobicContact CB-CZ2 3.7Å; A38-W61 HydrophobicContact CB-CZ3 4.33Å |
| 39 | K | 88.3 | Confident | 84.3 | Confident | 131 Ų | 131 | 82.6 Ų | 82.6 | 57% | 0.57 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 124.3 | 171.4 | -176.6 | 175.3 | -179.1 | 179.7 | 0 | 110 | S47 V49 | K39-S47 PolarHBondContact N-O 3.09Å; K39-S47 PolarHBondContact O-N 2.9Å; K39-S47 PolarHBondContact O-OG 2.87Å; K39-V49 HydrophobicContact CB-CG2 3.7Å; K39-V49 HydrophobicContact CD-CG2 4.37Å |
| 40 | Y | 89.8 | Confident | 84.9 | Confident | 58 Ų | 58 | 80.3 Ų | 80.3 | 23% | 0.227 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 136.2 | 171.4 | -68.7 | -90.9 | 0 | 0 | 0 | 110.4 | R32 V33 G44 H45 L46 E58 | R32-Y40 HydrophobicContact CG-CE1 4.11Å; R32-Y40 HydrophobicContact CG-CE2 4.06Å; V33-Y40 WeakPolarHBondContact CB-OH 3.14Å; V33-Y40 PolarHBondContact N-OH 2.95Å; Y40-G44 WeakPolarHBondContact CD1-O 3.27Å; Y40-H45 WeakPolarHBondContact CA-O 3.47Å; Y40-L46 HydrophobicContact CD1-CB 4.36Å; Y40-L46 HydrophobicContact CD2-CD1 4.48Å; Y40-L46 HydrophobicContact CE1-CB 3.94Å; Y40-L46 HydrophobicContact CE1-CD1 4.17Å; Y40-L46 HydrophobicContact CE2-CD1 3.97Å; Y40-E58 PolarHBondContact OH-OE2 2.83Å |
| 41 | N | 88.9 | Confident | 85.6 | Confident | 88 Ų | 88 | 73.2 Ų | 73.2 | 47% | 0.471 | 39% | 0.39 | S | S | . | . | trans | -77.2 | 168.2 | 171.3 | -164.5 | 11.9 | 0 | 0 | 0 | 110.9 | L43 G44 H45 | N41-L43 PolarHBondContact O-N 3.37Å; N41-L43 VanDerWaalsContact O-N 3.12Å; N41-G44 PolarHBondContact O-N 3.23Å; N41-H45 HydrophobicContact CB-CB 4.37Å; N41-H45 PolarHBondContact N-O 2.94Å | ||
| 42 | S | 83.6 | Confident | 86.3 | Confident | 114 Ų | 114 | 73.1 Ų | 73.1 | 80% | 0.797 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -23.4 | 174 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 43 | L | 83 | Confident | 86.6 | Confident | 132 Ų | 132 | 70.3 Ų | 70.3 | 69% | 0.691 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 9.2 | 174 | -58 | 177.9 | 0 | 0 | 0 | 113.7 | N41 H45 | N41-L43 PolarHBondContact O-N 3.37Å; N41-L43 VanDerWaalsContact O-N 3.12Å; L43-H45 VanDerWaalsContact C-N 3.27Å; L43-H45 PolarHBondContact O-N 3.39Å |
| 44 | G | 80.8 | Confident | 86.9 | Confident | 39 Ų | 39 | 75.7 Ų | 75.7 | 40% | 0.402 | 42% | 0.422 | S | S | . | . | trans | 77 | 0.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y40 N41 L46 | Y40-G44 WeakPolarHBondContact CD1-O 3.27Å; N41-G44 PolarHBondContact O-N 3.23Å; G44-L46 PolarHBondContact O-N 3.47Å | ||
| 45 | H | 84.4 | Confident | 87.4 | Confident | 99 Ų | 99 | 66.6 Ų | 66.6 | 46% | 0.458 | 38% | 0.381 | S | S | . | . | trans | -68.9 | 131.6 | 176 | -62.7 | -178.5 | 0 | 0 | 0 | 111.4 | Y40 N41 L43 | Y40-H45 WeakPolarHBondContact CA-O 3.47Å; N41-H45 HydrophobicContact CB-CB 4.37Å; N41-H45 PolarHBondContact N-O 2.94Å; L43-H45 VanDerWaalsContact C-N 3.27Å; L43-H45 PolarHBondContact O-N 3.39Å | ||
| 46 | L | 90 | Very high | 87.6 | Confident | 7 Ų | 7 | 74.9 Ų | 74.9 | 4% | 0.037 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 135 | 175 | 177.5 | 56.9 | 0 | 0 | 0 | 110.7 | V33 A38 Y40 G44 Q54 V55 W61 | V33-L46 HydrophobicContact CB-CD2 4.33Å; V33-L46 HydrophobicContact CG2-CD2 3.79Å; A38-L46 HydrophobicContact CB-CD1 3.72Å; Y40-L46 HydrophobicContact CD1-CB 4.36Å; Y40-L46 HydrophobicContact CD2-CD1 4.48Å; Y40-L46 HydrophobicContact CE1-CB 3.94Å; Y40-L46 HydrophobicContact CE1-CD1 4.17Å; Y40-L46 HydrophobicContact CE2-CD1 3.97Å; G44-L46 PolarHBondContact O-N 3.47Å; L46-Q54 WeakPolarHBondContact O-CA 3.43Å; L46-V55 HydrophobicContact CD2-CB 4.34Å; L46-V55 HydrophobicContact CG-CB 4.24Å; L46-V55 PolarHBondContact O-N 3.12Å; L46-W61 HydrophobicContact CD1-CE3 3.87Å; L46-W61 HydrophobicContact CD1-CZ3 3.97Å; L46-W61 HydrophobicContact CD2-CB 3.87Å; L46-W61 HydrophobicContact CD2-CD2 4.04Å; L46-W61 HydrophobicContact CD2-CE3 3.59Å; L46-W61 HydrophobicContact CD2-CG 4.19Å; L46-W61 HydrophobicContact CD2-CZ3 4.46Å; L46-W61 HydrophobicContact CG-CE3 3.7Å; L46-W61 HydrophobicContact CG-CZ3 4.09Å |
| 47 | S | 90.7 | Very high | 87.4 | Confident | 29 Ų | 29 | 71.5 Ų | 71.5 | 20% | 0.203 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 146.4 | 177.5 | 65 | 0 | 0 | 0 | 0 | 111.4 | K39 V53 | K39-S47 PolarHBondContact N-O 3.09Å; K39-S47 PolarHBondContact O-N 2.9Å; K39-S47 PolarHBondContact O-OG 2.87Å; S47-V53 WeakPolarHBondContact CA-O 3.19Å |
| 48 | C | 91.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.007 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 123.6 | 177.6 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | L50 C51 S52 V53 W61 H64 H70 | C48-L50 PolarHBondContact O-N 3.26Å; C48-C51 HydrophobicContact CB-CB 4.08Å; C48-C51 PolarHBondContact O-N 3.42Å; C48-C51 PolarHBondContact SG-N 3.21Å; C48-S52 VanDerWaalsContact O-CA 3.22Å; C48-S52 WeakPolarHBondContact O-CA 3.36Å; C48-S52 PolarHBondContact O-N 3.43Å; C48-V53 PolarHBondContact N-O 2.89Å; C48-W61 HydrophobicContact CB-CH2 3.63Å; C48-W61 HydrophobicContact CB-CZ3 3.65Å; C48-H64 WeakPolarHBondContact CB-NE2 3.4Å; C48-H64 PolarHBondContact SG-NE2 3.3Å; C48-H70 VanDerWaalsContact SG-CE1 3.52Å; C48-H70 PolarHBondContact SG-ND1 3.33Å; C48-H70 VanDerWaalsContact SG-ND1 3.37Å |
| 49 | V | 90.5 | Very high | 87.1 | Confident | 85 Ų | 85 | 76.2 Ų | 76.2 | 52% | 0.515 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -35.2 | -178.4 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | F37 K39 | F37-V49 PolarHBondContact O-N 2.84Å; K39-V49 HydrophobicContact CB-CG2 3.7Å; K39-V49 HydrophobicContact CD-CG2 4.37Å |
| 50 | L | 88.6 | Confident | 87.1 | Confident | 36 Ų | 36 | 74.4 Ų | 74.4 | 19% | 0.188 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -40.2 | 179 | -57.1 | -173.2 | 0 | 0 | 0 | 112.3 | F37 C48 K73 V74 L77 | F37-L50 HydrophobicContact CB-CD1 4.48Å; F37-L50 HydrophobicContact CB-CG 4.24Å; F37-L50 HydrophobicContact CD1-CD1 3.65Å; F37-L50 HydrophobicContact CD1-CD2 3.84Å; F37-L50 HydrophobicContact CD1-CG 3.62Å; F37-L50 HydrophobicContact CD2-CD1 4.14Å; F37-L50 HydrophobicContact CE1-CD1 3.82Å; F37-L50 HydrophobicContact CE1-CD2 4.1Å; F37-L50 HydrophobicContact CE1-CG 4.16Å; F37-L50 HydrophobicContact CE2-CD1 4.29Å; F37-L50 HydrophobicContact CG-CD1 3.82Å; F37-L50 HydrophobicContact CG-CG 3.95Å; F37-L50 HydrophobicContact CZ-CD1 4.14Å; C48-L50 PolarHBondContact O-N 3.26Å; L50-K73 WeakPolarHBondContact O-CD 3.42Å; L50-V74 HydrophobicContact CD1-CG2 3.4Å; L50-L77 HydrophobicContact CD2-CD1 3.69Å |
| 51 | C | 88.6 | Confident | 87.2 | Confident | 9 Ų | 9 | 72.2 Ų | 72.2 | 6% | 0.061 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -22.2 | -176.1 | -61.4 | 0 | 0 | 0 | 0 | 113.1 | C48 V53 H64 H70 K73 | C48-C51 HydrophobicContact CB-CB 4.08Å; C48-C51 PolarHBondContact O-N 3.42Å; C48-C51 PolarHBondContact SG-N 3.21Å; C51-V53 HydrophobicContact CB-CB 4.12Å; C51-V53 HydrophobicContact CB-CG2 3.88Å; C51-V53 PolarHBondContact O-N 2.82Å; C51-H64 PolarHBondContact SG-NE2 3.48Å; C51-H70 PolarHBondContact SG-ND1 3.27Å; C51-K73 PolarHBondContact O-NZ 2.85Å |
| 52 | S | 87.1 | Confident | 87.2 | Confident | 107 Ų | 107 | 71.6 Ų | 71.6 | 75% | 0.748 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 27.2 | -165.1 | -61.4 | 0 | 0 | 0 | 0 | 113.7 | C48 | C48-S52 VanDerWaalsContact O-CA 3.22Å; C48-S52 WeakPolarHBondContact O-CA 3.36Å; C48-S52 PolarHBondContact O-N 3.43Å |
| 53 | V | 88.2 | Confident | 87.5 | Confident | 57 Ų | 57 | 69.2 Ų | 69.2 | 35% | 0.345 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 135.7 | -179 | 175.2 | 0 | 0 | 0 | 0 | 109.8 | S47 C48 C51 | S47-V53 WeakPolarHBondContact CA-O 3.19Å; C48-V53 PolarHBondContact N-O 2.89Å; C51-V53 HydrophobicContact CB-CB 4.12Å; C51-V53 HydrophobicContact CB-CG2 3.88Å; C51-V53 PolarHBondContact O-N 2.82Å |
| 54 | Q | 89.6 | Confident | 87.9 | Confident | 138 Ų | 138 | 64.5 Ų | 64.5 | 65% | 0.645 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 126.6 | 171.9 | -62.1 | 178.1 | 39.3 | 0 | 0 | 109.6 | L46 | L46-Q54 WeakPolarHBondContact O-CA 3.43Å |
| 55 | V | 90.1 | Very high | 88.4 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 7% | 0.073 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 118.3 | 177 | -174 | 0 | 0 | 0 | 0 | 107.3 | L46 S57 L60 W61 H64 | L46-V55 HydrophobicContact CD2-CB 4.34Å; L46-V55 HydrophobicContact CG-CB 4.24Å; L46-V55 PolarHBondContact O-N 3.12Å; V55-S57 VanDerWaalsContact C-N 3.25Å; V55-S57 WeakPolarHBondContact CG1-O 3.5Å; V55-S57 PolarHBondContact O-N 3.41Å; V55-L60 HydrophobicContact CG1-CB 3.75Å; V55-W61 HydrophobicContact CB-CE3 4.38Å; V55-W61 HydrophobicContact CG2-CE3 3.86Å; V55-W61 HydrophobicContact CG2-CZ3 4.09Å; V55-H64 HydrophobicContact CG2-CB 4.02Å |
| 56 | K | 84.5 | Confident | 88.7 | Confident | 208 Ų | 208 | 65.4 Ų | 65.4 | 90% | 0.904 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -66.8 | -23.1 | -168.9 | -67.7 | -177.1 | 178.7 | 179.4 | 0 | 114.2 | ||
| 57 | S | 81.3 | Confident | 88.8 | Confident | 49 Ų | 49 | 66.3 Ų | 66.3 | 34% | 0.343 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -145.2 | 147.5 | 174.9 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | V55 L59 L60 | V55-S57 VanDerWaalsContact C-N 3.25Å; V55-S57 WeakPolarHBondContact CG1-O 3.5Å; V55-S57 PolarHBondContact O-N 3.41Å; S57-L59 VanDerWaalsContact C-N 3.25Å; S57-L59 PolarHBondContact O-N 3.13Å; S57-L60 PolarHBondContact O-N 2.96Å; S57-L60 WeakPolarHBondContact OG-CD1 3.4Å; S57-L60 WeakPolarHBondContact OG-CG 3.26Å |
| 58 | E | 85.7 | Confident | 88.7 | Confident | 51 Ų | 51 | 72.4 Ų | 72.4 | 24% | 0.238 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -33.2 | -56 | 164 | -174.9 | 72.6 | -165.3 | 0 | 0 | 113 | K31 R32 V33 Y40 L60 W61 | K31-E58 VanDerWaalsContact C-CD 3.45Å; R32-E58 WeakPolarHBondContact CA-OE1 3.46Å; R32-E58 PolarHBondContact N-OE1 3.39Å; R32-E58 VanDerWaalsContact N-OE1 3.13Å; V33-E58 HydrophobicContact CG2-CG 4.28Å; V33-E58 WeakPolarHBondContact CG2-OE1 3.38Å; V33-E58 WeakPolarHBondContact CG2-OE2 3.32Å; V33-E58 PolarHBondContact N-OE1 2.9Å; V33-E58 PolarHBondContact N-OE2 3.26Å; Y40-E58 PolarHBondContact OH-OE2 2.83Å; E58-L60 PolarHBondContact O-N 2.89Å; E58-W61 WeakPolarHBondContact O-CB 3.33Å; E58-W61 PolarHBondContact O-N 2.96Å |
| 59 | L | 84.8 | Confident | 88.6 | Confident | 151 Ų | 151 | 78.9 Ų | 78.9 | 79% | 0.791 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -64.7 | -21.6 | -174.8 | -58.1 | 176.5 | 0 | 0 | 0 | 114.3 | S57 W61 P62 | S57-L59 VanDerWaalsContact C-N 3.25Å; S57-L59 PolarHBondContact O-N 3.13Å; L59-W61 VanDerWaalsContact C-N 3.33Å; L59-P62 WeakPolarHBondContact O-CD 3.25Å |
| 60 | L | 88.4 | Confident | 88.6 | Confident | 93 Ų | 93 | 75.1 Ų | 75.1 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -86.7 | -4.5 | 176.7 | -67.8 | 172.8 | 0 | 0 | 0 | 112.7 | V55 S57 E58 A63 H64 | V55-L60 HydrophobicContact CG1-CB 3.75Å; S57-L60 PolarHBondContact O-N 2.96Å; S57-L60 WeakPolarHBondContact OG-CD1 3.4Å; S57-L60 WeakPolarHBondContact OG-CG 3.26Å; E58-L60 PolarHBondContact O-N 2.89Å; L60-A63 PolarHBondContact O-N 2.92Å; L60-H64 PolarHBondContact O-N 3.07Å |
| 61 | W | 91 | Very high | 88.7 | Confident | 12 Ų | 12 | 78.6 Ų | 78.6 | 5% | 0.045 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 179.2 | -177.7 | -95.5 | 0 | 0 | 0 | 114.5 | V33 F37 A38 L46 C48 V55 E58 L59 A63 H64 V65 | V33-W61 HydrophobicContact CB-CG 4.33Å; V33-W61 HydrophobicContact CG1-CB 4.37Å; V33-W61 HydrophobicContact CG1-CD2 3.96Å; V33-W61 HydrophobicContact CG1-CG 3.6Å; V33-W61 VanDerWaalsContact CG1-NE1 3.34Å; V33-W61 HydrophobicContact CG2-CB 3.75Å; V33-W61 HydrophobicContact CG2-CG 3.87Å; F37-W61 HydrophobicContact CB-CZ2 4.43Å; F37-W61 WeakPolarHBondContact O-CH2 3.46Å; A38-W61 VanDerWaalsContact CA-CH2 3.5Å; A38-W61 HydrophobicContact CB-CH2 3.84Å; A38-W61 HydrophobicContact CB-CZ2 3.7Å; A38-W61 HydrophobicContact CB-CZ3 4.33Å; L46-W61 HydrophobicContact CD1-CE3 3.87Å; L46-W61 HydrophobicContact CD1-CZ3 3.97Å; L46-W61 HydrophobicContact CD2-CB 3.87Å; L46-W61 HydrophobicContact CD2-CD2 4.04Å; L46-W61 HydrophobicContact CD2-CE3 3.59Å; L46-W61 HydrophobicContact CD2-CG 4.19Å; L46-W61 HydrophobicContact CD2-CZ3 4.46Å; L46-W61 HydrophobicContact CG-CE3 3.7Å; L46-W61 HydrophobicContact CG-CZ3 4.09Å; C48-W61 HydrophobicContact CB-CH2 3.63Å; C48-W61 HydrophobicContact CB-CZ3 3.65Å; V55-W61 HydrophobicContact CB-CE3 4.38Å; V55-W61 HydrophobicContact CG2-CE3 3.86Å; V55-W61 HydrophobicContact CG2-CZ3 4.09Å; E58-W61 WeakPolarHBondContact O-CB 3.33Å; E58-W61 PolarHBondContact O-N 2.96Å; L59-W61 VanDerWaalsContact C-N 3.33Å; W61-A63 VanDerWaalsContact C-N 3.27Å; W61-A63 PolarHBondContact O-N 2.93Å; W61-H64 WeakPolarHBondContact O-CB 3.35Å; W61-H64 PolarHBondContact O-N 2.81Å; W61-H64 VanDerWaalsContact O-N 3.09Å; W61-V65 HydrophobicContact CD2-CG2 4.21Å; W61-V65 HydrophobicContact CG-CG2 4.45Å; W61-V65 HydrophobicContact CZ2-CG2 3.81Å; W61-V65 PolarHBondContact O-N 3.48Å |
| 62 | P | 89.1 | Confident | 88.8 | Confident | 75 Ų | 75 | 81.6 Ų | 81.6 | 49% | 0.487 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 175.9 | -23.2 | 35.2 | 0 | 0 | 0 | 111.7 | L59 H64 V65 L66 | L59-P62 WeakPolarHBondContact O-CD 3.25Å; P62-H64 PolarHBondContact O-N 2.95Å; P62-V65 PolarHBondContact O-N 3.35Å; P62-L66 WeakPolarHBondContact O-CB 3.11Å; P62-L66 VanDerWaalsContact O-CG 3.27Å; P62-L66 WeakPolarHBondContact O-CG 3.37Å; P62-L66 PolarHBondContact O-N 3.24Å |
| 63 | A | 90.7 | Very high | 88.8 | Confident | 64 Ų | 64 | 80.1 Ų | 80.1 | 53% | 0.529 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L60 W61 G67 | L60-A63 PolarHBondContact O-N 2.92Å; W61-A63 VanDerWaalsContact C-N 3.27Å; W61-A63 PolarHBondContact O-N 2.93Å; A63-G67 PolarHBondContact O-N 3.17Å |
| 64 | H | 91.4 | Very high | 88.8 | Confident | 33 Ų | 33 | 78.8 Ų | 78.8 | 15% | 0.153 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.5 | -48.7 | 173.6 | 177.8 | 73.9 | 0 | 0 | 0 | 112.2 | C48 C51 V55 L60 W61 P62 L66 G67 H70 | C48-H64 WeakPolarHBondContact CB-NE2 3.4Å; C48-H64 PolarHBondContact SG-NE2 3.3Å; C51-H64 PolarHBondContact SG-NE2 3.48Å; V55-H64 HydrophobicContact CG2-CB 4.02Å; L60-H64 PolarHBondContact O-N 3.07Å; W61-H64 WeakPolarHBondContact O-CB 3.35Å; W61-H64 PolarHBondContact O-N 2.81Å; W61-H64 VanDerWaalsContact O-N 3.09Å; P62-H64 PolarHBondContact O-N 2.95Å; H64-L66 VanDerWaalsContact C-N 3.35Å; H64-L66 PolarHBondContact O-N 3.37Å; H64-G67 PolarHBondContact O-N 3.13Å; H64-G67 VanDerWaalsContact O-N 3.11Å; H64-H70 AromaticContact NE2-ND1 3.69Å; H64-H70 WeakPolarHBondContact O-CB 3.41Å |
| 65 | V | 91.4 | Very high | 88.7 | Confident | 43 Ų | 43 | 74 Ų | 74 | 26% | 0.261 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66 | -36.7 | -179.1 | 172.6 | 0 | 0 | 0 | 0 | 112 | W61 P62 G67 H70 | W61-V65 HydrophobicContact CD2-CG2 4.21Å; W61-V65 HydrophobicContact CG-CG2 4.45Å; W61-V65 HydrophobicContact CZ2-CG2 3.81Å; W61-V65 PolarHBondContact O-N 3.48Å; P62-V65 PolarHBondContact O-N 3.35Å; V65-G67 VanDerWaalsContact C-N 3.26Å; V65-G67 PolarHBondContact O-N 2.91Å; V65-H70 PolarHBondContact O-CD2 3.46Å |
| 66 | L | 90.1 | Very high | 88.6 | Confident | 113 Ų | 113 | 79.6 Ų | 79.6 | 59% | 0.592 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -76.5 | -13.5 | 174.9 | -67.4 | 172.7 | 0 | 0 | 0 | 113.3 | P62 H64 K71 | P62-L66 WeakPolarHBondContact O-CB 3.11Å; P62-L66 VanDerWaalsContact O-CG 3.27Å; P62-L66 WeakPolarHBondContact O-CG 3.37Å; P62-L66 PolarHBondContact O-N 3.24Å; H64-L66 VanDerWaalsContact C-N 3.35Å; H64-L66 PolarHBondContact O-N 3.37Å; L66-K71 WeakPolarHBondContact O-CD 3.42Å; L66-K71 WeakPolarHBondContact O-CE 3.22Å; L66-K71 PolarHBondContact O-NZ 3.48Å |
| 67 | G | 91.3 | Very high | 88.4 | Confident | 27 Ų | 27 | 74.6 Ų | 74.6 | 28% | 0.278 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -68.8 | 149 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A63 H64 V65 Q69 H70 K71 | A63-G67 PolarHBondContact O-N 3.17Å; H64-G67 PolarHBondContact O-N 3.13Å; H64-G67 VanDerWaalsContact O-N 3.11Å; V65-G67 VanDerWaalsContact C-N 3.26Å; V65-G67 PolarHBondContact O-N 2.91Å; G67-Q69 PolarHBondContact O-N 3.12Å; G67-H70 PolarHBondContact O-N 3.06Å; G67-K71 PolarHBondContact O-N 2.99Å; G67-K71 VanDerWaalsContact O-N 3.13Å |
| 68 | K | 88.7 | Confident | 88.4 | Confident | 157 Ų | 157 | 79.6 Ų | 79.6 | 68% | 0.683 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -53.1 | -48.9 | -175.1 | -175.3 | 174.5 | 180 | -175.2 | 0 | 113 | H70 K71 D72 | K68-H70 PolarHBondContact O-N 3.31Å; K68-H70 VanDerWaalsContact O-N 3.12Å; K68-K71 PolarHBondContact O-N 2.94Å; K68-D72 VanDerWaalsContact CE-OD2 3.25Å; K68-D72 WeakPolarHBondContact CE-OD2 3.4Å; K68-D72 VanDerWaalsContact CG-OD2 3.26Å; K68-D72 WeakPolarHBondContact CG-OD2 3.35Å; K68-D72 WeakPolarHBondContact O-CB 3.32Å; K68-D72 PolarHBondContact O-N 3.34Å |
| 69 | Q | 88.9 | Confident | 87.7 | Confident | 136 Ų | 136 | 83.9 Ų | 83.9 | 64% | 0.636 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60 | -25.4 | -179.8 | -64.5 | -175 | 3.1 | 0 | 0 | 114.7 | G67 K73 | G67-Q69 PolarHBondContact O-N 3.12Å; Q69-K73 WeakPolarHBondContact O-CG 3.44Å |
| 70 | H | 90.6 | Very high | 86.6 | Confident | 6 Ų | 6 | 79.5 Ų | 79.5 | 3% | 0.028 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -83.7 | -46.6 | 175.8 | -170.7 | 88.4 | 0 | 0 | 0 | 110.7 | C48 C51 H64 V65 G67 K68 D72 K73 V74 | C48-H70 VanDerWaalsContact SG-CE1 3.52Å; C48-H70 PolarHBondContact SG-ND1 3.33Å; C48-H70 VanDerWaalsContact SG-ND1 3.37Å; C51-H70 PolarHBondContact SG-ND1 3.27Å; H64-H70 AromaticContact NE2-ND1 3.69Å; H64-H70 WeakPolarHBondContact O-CB 3.41Å; V65-H70 PolarHBondContact O-CD2 3.46Å; G67-H70 PolarHBondContact O-N 3.06Å; K68-H70 PolarHBondContact O-N 3.31Å; K68-H70 VanDerWaalsContact O-N 3.12Å; H70-D72 PolarHBondContact O-N 3.49Å; H70-K73 PolarHBondContact O-N 3.47Å; H70-V74 WeakPolarHBondContact O-CB 3.41Å; H70-V74 VanDerWaalsContact O-CG2 3.28Å; H70-V74 WeakPolarHBondContact O-CG2 3.13Å; H70-V74 PolarHBondContact O-N 3.39Å |
| 71 | K | 91.3 | Very high | 85.1 | Confident | 109 Ų | 109 | 83.7 Ų | 83.7 | 47% | 0.474 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.6 | -45.6 | 177.3 | -76.2 | 174.6 | 171.8 | 158.2 | 0 | 112.7 | L66 G67 K68 V74 A75 | L66-K71 WeakPolarHBondContact O-CD 3.42Å; L66-K71 WeakPolarHBondContact O-CE 3.22Å; L66-K71 PolarHBondContact O-NZ 3.48Å; G67-K71 PolarHBondContact O-N 2.99Å; G67-K71 VanDerWaalsContact O-N 3.13Å; K68-K71 PolarHBondContact O-N 2.94Å; K71-V74 PolarHBondContact O-N 3.22Å; K71-A75 PolarHBondContact O-N 2.78Å |
| 72 | D | 90.4 | Very high | 82.8 | Confident | 72 Ų | 72 | 87.7 Ų | 87.7 | 39% | 0.385 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 179.8 | -62.7 | -5.4 | 0 | 0 | 0 | 110.3 | K68 H70 V74 A75 E76 | K68-D72 VanDerWaalsContact CE-OD2 3.25Å; K68-D72 WeakPolarHBondContact CE-OD2 3.4Å; K68-D72 VanDerWaalsContact CG-OD2 3.26Å; K68-D72 WeakPolarHBondContact CG-OD2 3.35Å; K68-D72 WeakPolarHBondContact O-CB 3.32Å; K68-D72 PolarHBondContact O-N 3.34Å; H70-D72 PolarHBondContact O-N 3.49Å; D72-V74 VanDerWaalsContact C-N 3.33Å; D72-V74 PolarHBondContact O-N 2.85Å; D72-A75 WeakPolarHBondContact O-CB 3.36Å; D72-A75 PolarHBondContact O-N 3.44Å; D72-A75 VanDerWaalsContact O-N 3.09Å; D72-E76 WeakPolarHBondContact O-CG 3.22Å; D72-E76 PolarHBondContact O-N 3.13Å |
| 73 | K | 87.3 | Confident | 80.6 | Confident | 76 Ų | 76 | 92.2 Ų | 92.2 | 33% | 0.33 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.5 | -32.4 | 176.5 | -69.6 | -177.7 | 176.5 | -170.4 | 0 | 113.9 | L50 C51 Q69 H70 L77 | L50-K73 WeakPolarHBondContact O-CD 3.42Å; C51-K73 PolarHBondContact O-NZ 2.85Å; Q69-K73 WeakPolarHBondContact O-CG 3.44Å; H70-K73 PolarHBondContact O-N 3.47Å; K73-L77 WeakPolarHBondContact O-CB 3.39Å; K73-L77 WeakPolarHBondContact O-CG 3.35Å; K73-L77 PolarHBondContact O-N 3.42Å |
| 74 | V | 89.2 | Confident | 78.2 | Confident | 29 Ų | 29 | 95 Ų | 95 | 18% | 0.176 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -69.8 | -35.4 | 173.2 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | L50 H70 K71 D72 K78 | L50-V74 HydrophobicContact CD1-CG2 3.4Å; H70-V74 WeakPolarHBondContact O-CB 3.41Å; H70-V74 VanDerWaalsContact O-CG2 3.28Å; H70-V74 WeakPolarHBondContact O-CG2 3.13Å; H70-V74 PolarHBondContact O-N 3.39Å; K71-V74 PolarHBondContact O-N 3.22Å; D72-V74 VanDerWaalsContact C-N 3.33Å; D72-V74 PolarHBondContact O-N 2.85Å; V74-K78 HydrophobicContact CG1-CD 4.18Å; V74-K78 WeakPolarHBondContact O-CB 3.47Å; V74-K78 VanDerWaalsContact O-CG 3.29Å; V74-K78 WeakPolarHBondContact O-CG 3.3Å; V74-K78 PolarHBondContact O-N 3.25Å; V74-K78 VanDerWaalsContact O-N 3.13Å |
| 75 | A | 87.7 | Confident | 75.8 | Confident | 39 Ų | 39 | 98 Ų | 98 | 32% | 0.322 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.8 | -51.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K71 D72 L77 K78 E79 | K71-A75 PolarHBondContact O-N 2.78Å; D72-A75 WeakPolarHBondContact O-CB 3.36Å; D72-A75 PolarHBondContact O-N 3.44Å; D72-A75 VanDerWaalsContact O-N 3.09Å; A75-L77 VanDerWaalsContact C-N 3.26Å; A75-L77 PolarHBondContact O-N 3.42Å; A75-K78 PolarHBondContact O-N 2.99Å; A75-E79 WeakPolarHBondContact O-CG 3.37Å; A75-E79 PolarHBondContact O-N 3Å |
| 76 | E | 87.2 | Confident | 73.2 | Confident | 128 Ų | 128 | 102 Ų | 102 | 60% | 0.598 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -51.2 | -44.4 | 175.9 | -70.8 | 171.4 | 174.9 | 0 | 0 | 112.1 | D72 G80 | D72-E76 WeakPolarHBondContact O-CG 3.22Å; D72-E76 PolarHBondContact O-N 3.13Å; E76-G80 PolarHBondContact O-N 3.29Å |
| 77 | L | 80.4 | Confident | 71 | Confident | 103 Ų | 103 | 102.2 Ų | 102.2 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -72.5 | -28.6 | 178.3 | -72.9 | 174.5 | 0 | 0 | 0 | 113.9 | L50 K73 A75 K81 | L50-L77 HydrophobicContact CD2-CD1 3.69Å; K73-L77 WeakPolarHBondContact O-CB 3.39Å; K73-L77 WeakPolarHBondContact O-CG 3.35Å; K73-L77 PolarHBondContact O-N 3.42Å; A75-L77 VanDerWaalsContact C-N 3.26Å; A75-L77 PolarHBondContact O-N 3.42Å; L77-K81 WeakPolarHBondContact O-CB 3.3Å; L77-K81 PolarHBondContact O-N 2.75Å |
| 78 | K | 81.3 | Confident | 68.7 | Low | 155 Ų | 155 | 109.6 Ų | 109.6 | 67% | 0.674 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73.9 | -44.3 | 174.2 | -79.2 | 174.8 | 177.6 | -177.2 | 0 | 111.2 | V74 A75 K81 | V74-K78 HydrophobicContact CG1-CD 4.18Å; V74-K78 WeakPolarHBondContact O-CB 3.47Å; V74-K78 VanDerWaalsContact O-CG 3.29Å; V74-K78 WeakPolarHBondContact O-CG 3.3Å; V74-K78 PolarHBondContact O-N 3.25Å; V74-K78 VanDerWaalsContact O-N 3.13Å; A75-K78 PolarHBondContact O-N 2.99Å; K78-K81 PolarHBondContact O-N 2.81Å |
| 79 | E | 71.2 | Confident | 66.3 | Low | 140 Ų | 140 | 107.1 Ų | 107.1 | 65% | 0.654 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.4 | -45.3 | 177.3 | -69.2 | 170.4 | -175.5 | 0 | 0 | 110.6 | A75 K81 S82 | A75-E79 WeakPolarHBondContact O-CG 3.37Å; A75-E79 PolarHBondContact O-N 3Å; E79-K81 VanDerWaalsContact C-N 3.26Å; E79-K81 PolarHBondContact O-N 2.95Å; E79-S82 PolarHBondContact O-N 3.09Å; E79-S82 PolarHBondContact O-OG 2.94Å |
| 80 | G | 61.8 | Low | 63.8 | Low | 59 Ų | 59 | 108.5 Ų | 108.5 | 61% | 0.608 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -67.3 | -14.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | E76 S82 | E76-G80 PolarHBondContact O-N 3.29Å; G80-S82 VanDerWaalsContact C-N 3.33Å |
| 81 | K | 55.8 | Low | 61.6 | Low | 181 Ų | 181 | 113.2 Ų | 113.2 | 79% | 0.787 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -86.9 | 0.2 | 178.5 | -147.7 | 69.7 | 178.1 | -179.5 | 0 | 114.1 | L77 K78 E79 Q83 | L77-K81 WeakPolarHBondContact O-CB 3.3Å; L77-K81 PolarHBondContact O-N 2.75Å; K78-K81 PolarHBondContact O-N 2.81Å; E79-K81 VanDerWaalsContact C-N 3.26Å; E79-K81 PolarHBondContact O-N 2.95Å; K81-Q83 VanDerWaalsContact C-N 3.32Å; K81-Q83 PolarHBondContact O-N 3.38Å |
| 82 | S | 43.1 | Very low | 58.8 | Low | 97 Ų | 97 | 113.4 Ų | 113.4 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -81.8 | -1.5 | -178.8 | 63 | 0 | 0 | 0 | 0 | 115 | E79 G80 | E79-S82 PolarHBondContact O-N 3.09Å; E79-S82 PolarHBondContact O-OG 2.94Å; G80-S82 VanDerWaalsContact C-N 3.33Å |
| 83 | Q | 42.8 | Very low | 56 | Low | 169 Ų | 169 | 117.5 Ų | 117.5 | 79% | 0.79 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -105.5 | 130.8 | 177 | -63.3 | -148.6 | -19 | 0 | 0 | 113.2 | K81 | K81-Q83 VanDerWaalsContact C-N 3.32Å; K81-Q83 PolarHBondContact O-N 3.38Å |
| 84 | P | 39.8 | Very low | 53.5 | Low | 122 Ų | 122 | 124.2 Ų | 124.2 | 79% | 0.792 | 68% | 0.682 | S | S | * | * | trans | -77.5 | 156.7 | 177.5 | 33.1 | -35 | 0 | 0 | 0 | 112.1 | ||||
| 85 | A | 42.1 | Very low | 50.7 | Low | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 71% | 0.714 | S | S | * | * | trans | -69.7 | 145.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 86 | V | 36 | Very low | 47.9 | Very low | 127 Ų | 127 | 135 Ų | 135 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | trans | -129.9 | 117.9 | 155.1 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | Q88 | V86-Q88 HydrophobicContact CG1-CG 4.25Š| ||
| 87 | S | 44.5 | Very low | 45.3 | Very low | 117 Ų | 117 | 138 Ų | 138 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -75.5 | 134.3 | 169.5 | -45.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 88 | Q | 43.6 | Very low | 42.9 | Very low | 182 Ų | 182 | 139.2 Ų | 139.2 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | trans | -137.4 | 139.6 | 161.5 | -70.3 | -163.2 | 6.4 | 0 | 0 | 112 | V86 | V86-Q88 HydrophobicContact CG1-CG 4.25Š| ||
| 89 | S | 37 | Very low | 40.5 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -127.2 | 123.2 | -170.7 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 90 | L | 36.9 | Very low | 38.7 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | 63.8 | 167.8 | 150 | -63.7 | 175.2 | 0 | 0 | 0 | 118.4 | ||||
| 91 | P | 45 | Very low | 37.3 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | cis | -134.2 | -164.6 | -25 | 24.4 | 0.3 | 0 | 0 | 0 | 113.5 | ||||
| 92 | V | 31.9 | Very low | 36.1 | Very low | 114 Ų | 114 | 139 Ų | 139 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | 84.3 | 139.7 | 158.2 | -175.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 93 | K | 32.3 | Very low | 35.4 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | cis | -151.8 | 141.3 | 4.7 | -131.5 | 152.1 | -142.4 | 155.7 | 0 | 113.6 | ||||
| 94 | R | 33.8 | Very low | 34.8 | Very low | 216 Ų | 216 | 136.9 Ų | 136.9 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | 23.5 | 132.3 | 143 | -72.1 | -175.6 | -103.2 | 142.6 | -14.8 | 123.3 | ||||
| 95 | K | 30.4 | Very low | 34.4 | Very low | 192 Ų | 192 | 140.8 Ų | 140.8 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | -153.1 | 140.9 | 103.7 | -167.2 | 67.5 | 178.1 | -171.6 | 0 | 111.9 | |||||
| 96 | T | 29.9 | Very low | 33.8 | Very low | 104 Ų | 104 | 145.9 Ų | 145.9 | 64% | 0.638 | 79% | 0.791 | S | S | * | * | trans | -38.9 | 155 | 176.2 | 45.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 97 | Q | 32.5 | Very low | 33.6 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | -157.7 | 160.3 | 60.2 | -167.5 | 162.9 | -34.7 | 0 | 0 | 116.3 | |||||
| 98 | D | 28.6 | Very low | 33 | Very low | 128 Ų | 128 | 148.7 Ų | 148.7 | 68% | 0.684 | 80% | 0.797 | S | S | * | * | trans | -79.9 | 151.2 | -171 | -172.8 | -90.1 | 0 | 0 | 0 | 114.8 | ||||
| 99 | S | 30.9 | Very low | 32.8 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -157.8 | 124.9 | 148.5 | -166.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 100 | V | 33.6 | Very low | 32.3 | Very low | 120 Ų | 120 | 145.8 Ų | 145.8 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -88.9 | 148.9 | -172.5 | -81.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 101 | E | 32.6 | Very low | 31.9 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -90.4 | 136.5 | 167.1 | -67 | -163.5 | 124.8 | 0 | 0 | 112.5 | ||||
| 102 | A | 31.3 | Very low | 31.5 | Very low | 93 Ų | 93 | 145.8 Ų | 145.8 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -162.4 | 103 | 153.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 103 | V | 28.1 | Very low | 31.5 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | trans | 31.8 | 121.1 | 139.3 | -173.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 104 | G | 30.4 | Very low | 31.4 | Very low | 67 Ų | 67 | 147.2 Ų | 147.2 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | trans | 155.9 | 89.3 | 142 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 105 | K | 32.1 | Very low | 31.5 | Very low | 204 Ų | 204 | 142.4 Ų | 142.4 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | 58.4 | 125.3 | 137.5 | -71 | 177.1 | 177.1 | 172 | 0 | 122.9 | ||||
| 106 | K | 29.5 | Very low | 31.5 | Very low | 205 Ų | 205 | 137 Ų | 137 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | 95.3 | 132.7 | 138.5 | -77 | -176.9 | 174.5 | -172.8 | 0 | 122.2 | ||||
| 107 | A | 31.6 | Very low | 31.8 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | 89.9 | 126.8 | 143.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 108 | K | 30.9 | Very low | 32.4 | Very low | 201 Ų | 201 | 137 Ų | 137 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -71.6 | 179.4 | 156.4 | -70 | -177.7 | 167.9 | -177.3 | 0 | 110.3 | ||||
| 109 | P | 39.9 | Very low | 32.5 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 83% | 0.833 | S | S | * | * | cis | -142 | 175.4 | 7.6 | 41.4 | -22.1 | 0 | 0 | 0 | 118.5 | ||||
| 110 | A | 26.8 | Very low | 32.6 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | trans | 64.2 | 154.2 | 141.6 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 111 | G | 28.8 | Very low | 32.7 | Very low | 74 Ų | 74 | 138.9 Ų | 138.9 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | trans | 118.3 | 128 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 112 | Q | 35 | Very low | 32.8 | Very low | 196 Ų | 196 | 137 Ų | 137 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | 128.1 | 64.2 | 61.3 | -36.8 | 168.7 | -3.6 | 0 | 0 | 113.9 | |||||
| 113 | S | 33.3 | Very low | 33.2 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -16.3 | 133.9 | 165.3 | -49.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 114 | E | 30.7 | Very low | 33.8 | Very low | 189 Ų | 189 | 138.3 Ų | 138.3 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -176.4 | 159.5 | 139.7 | 58.1 | 179 | 169.7 | 0 | 0 | 108.6 | ||||
| 115 | S | 34.5 | Very low | 33.9 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | cis | -158.9 | 159.9 | -24.7 | 52.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 116 | G | 31.6 | Very low | 34 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | 134.7 | 77.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 117 | L | 35.5 | Very low | 34.1 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -127.9 | 148 | 153.9 | -92.4 | 174.1 | 0 | 0 | 0 | 106.1 | ||||
| 118 | P | 44.1 | Very low | 34.1 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | -144 | 160.5 | 81.7 | 36.8 | -19.2 | 0 | 0 | 0 | 115.4 | |||||
| 119 | G | 31.5 | Very low | 34.1 | Very low | 75 Ų | 75 | 134.9 Ų | 134.9 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -175.4 | 53.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 120 | D | 34 | Very low | 33.6 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -71.8 | 126.5 | -176.4 | -170.7 | -81.1 | 0 | 0 | 0 | 111.8 | ||||
| 121 | F | 34 | Very low | 33.9 | Very low | 192 Ų | 192 | 134 Ų | 134 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -162.5 | 139.5 | 142.6 | -165.4 | -112.7 | 0 | 0 | 0 | 111.6 | ||||
| 122 | E | 35 | Very low | 34.1 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -81.9 | 164.5 | -146.4 | -60 | -167.8 | 93.5 | 0 | 0 | 119.1 | ||||
| 123 | K | 39.9 | Very low | 34.5 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 65% | 0.652 | 80% | 0.802 | S | S | * | * | trans | -83.7 | 154.9 | 168.4 | 177.3 | 177.1 | 177.1 | -176.8 | 0 | 109.9 | E126 | K123-E126 IonicContact NZ-OE2 2.95Å; K123-E126 PolarHBondContact NZ-OE2 3.49Å | ||
| 124 | P | 40.2 | Very low | 34.8 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | -137.5 | 158.7 | 117.6 | 35.8 | -26.1 | 0 | 0 | 0 | 110.9 | |||||
| 125 | S | 32.4 | Very low | 35.6 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | cis | 170.8 | 127.9 | -18.8 | 178.4 | 0 | 0 | 0 | 0 | 102.4 | ||||
| 126 | E | 35 | Very low | 35.7 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | trans | -77.6 | 144.7 | -176.9 | -62.9 | 140.8 | 101.3 | 0 | 0 | 111.3 | K123 | K123-E126 IonicContact NZ-OE2 2.95Å; K123-E126 PolarHBondContact NZ-OE2 3.49Å | ||
| 127 | K | 31.5 | Very low | 36 | Very low | 208 Ų | 208 | 136.3 Ų | 136.3 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | trans | -140.2 | 128.8 | 146.5 | -85.6 | -166 | 176.4 | 178.5 | 0 | 110 | ||||
| 128 | A | 32.6 | Very low | 36.3 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -92.3 | 135.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 129 | T | 30 | Very low | 36.2 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | trans | -146.8 | 155.4 | 154.5 | 37.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 130 | A | 29.9 | Very low | 36.9 | Very low | 100 Ų | 100 | 141 Ų | 141 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | -80.8 | 157.2 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 131 | S | 32.6 | Very low | 37.5 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | 147.7 | 127.8 | 123.1 | -167.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 132 | T | 33.7 | Very low | 37.9 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | trans | 38.1 | 114.4 | 141.3 | -43.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 133 | Q | 43 | Very low | 38 | Very low | 199 Ų | 199 | 134.9 Ų | 134.9 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | trans | -155.1 | 138.3 | 131.8 | -116.8 | 165.2 | -11.3 | 0 | 0 | 112.8 | ||||
| 134 | K | 39.5 | Very low | 38.2 | Very low | 199 Ų | 199 | 133.8 Ų | 133.8 | 87% | 0.865 | 83% | 0.83 | S | S | * | * | trans | -86.6 | 153.5 | 180 | -78.5 | 178.7 | 173.5 | 177.9 | 0 | 111.5 | ||||
| 135 | S | 46.3 | Very low | 38.2 | Very low | 120 Ų | 120 | 139 Ų | 139 | 84% | 0.839 | 84% | 0.836 | S | S | * | * | trans | -68.1 | 131.3 | 161.6 | 45.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 136 | A | 37.6 | Very low | 38.8 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 88% | 0.884 | 84% | 0.84 | S | S | * | * | trans | -159.5 | 109.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 137 | G | 37.7 | Very low | 39.3 | Very low | 71 Ų | 71 | 143 Ų | 143 | 73% | 0.732 | 85% | 0.848 | S | S | * | * | trans | -128.7 | 138.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 138 | L | 42.3 | Very low | 40 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 94% | 0.937 | 84% | 0.844 | S | S | * | * | trans | 56 | 87 | 161.8 | -66.6 | 162.2 | 0 | 0 | 0 | 116.9 | ||||
| 139 | S | 42.5 | Very low | 40.3 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | trans | -135.6 | 85.7 | 155.9 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 140 | L | 45.8 | Very low | 40.7 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 86% | 0.859 | 83% | 0.832 | S | S | * | * | trans | -151.9 | 36.7 | -173.8 | -107.6 | -177.7 | 0 | 0 | 0 | 114 | ||||
| 141 | L | 46.7 | Very low | 41.4 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 94% | 0.942 | 83% | 0.829 | S | S | * | * | trans | -154.8 | 66.5 | 165.2 | -150.6 | 70.6 | 0 | 0 | 0 | 113.3 | ||||
| 142 | A | 42.4 | Very low | 41.6 | Very low | 103 Ų | 103 | 144 Ų | 144 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -146 | 115.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 143 | G | 36.1 | Very low | 41.9 | Very low | 80 Ų | 80 | 142.3 Ų | 142.3 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | 76 | 85.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 144 | V | 44.2 | Very low | 41.6 | Very low | 127 Ų | 127 | 140 Ų | 140 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | trans | -149.2 | 106.7 | 131.7 | 145.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 145 | Y | 40.3 | Very low | 41.4 | Very low | 235 Ų | 235 | 138.7 Ų | 138.7 | 92% | 0.922 | 82% | 0.821 | S | S | * | * | trans | -141.8 | 90 | 154.9 | -97.2 | -82.5 | 0 | 0 | 0 | 103.5 | ||||
| 146 | D | 45.8 | Very low | 40.8 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | -77.8 | 129.8 | 165 | -106.8 | -114.1 | 0 | 0 | 0 | 106.8 | ||||
| 147 | E | 45.9 | Very low | 40.5 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -114.5 | 105.2 | 176.7 | 174.1 | 155.4 | 77.4 | 0 | 0 | 107.9 | ||||
| 148 | D | 45.7 | Very low | 40.6 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -142.3 | 130.4 | 165.1 | -89.2 | -43.8 | 0 | 0 | 0 | 107.1 | ||||
| 149 | G | 38.2 | Very low | 40.6 | Very low | 63 Ų | 63 | 139.2 Ų | 139.2 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | trans | -108.4 | 159.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 150 | D | 39.5 | Very low | 40.3 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | -174.2 | 138.4 | 122.2 | -95.9 | -24.3 | 0 | 0 | 0 | 112.2 | |||||
| 151 | E | 43.3 | Very low | 40.1 | Very low | 163 Ų | 163 | 138 Ų | 138 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | 44.4 | 147 | 141.7 | -53.2 | -170.6 | 152.3 | 0 | 0 | 124.5 | ||||
| 152 | D | 37.6 | Very low | 40 | Very low | 150 Ų | 150 | 135 Ų | 135 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 85.9 | 100.2 | 153.2 | -68.1 | -26 | 0 | 0 | 0 | 124.1 | ||||
| 153 | A | 39.4 | Very low | 40.3 | Very low | 85 Ų | 85 | 133.9 Ų | 133.9 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | 104.5 | 129.3 | 108.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 154 | D | 36.5 | Very low | 40.9 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 80.5 | 106.8 | 149.4 | -66.6 | -39.1 | 0 | 0 | 0 | 123.8 | ||||
| 155 | E | 36.6 | Very low | 41.1 | Very low | 173 Ų | 173 | 142.5 Ų | 142.5 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | 50.9 | 115.1 | 125.4 | -74.7 | -73.6 | 167.6 | 0 | 0 | 121.1 | |||||
| 156 | A | 33.4 | Very low | 42 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | -177.7 | 132 | 103.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 157 | D | 31.6 | Very low | 42.9 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 70.1 | 144 | 144.1 | -153.5 | 34 | 0 | 0 | 0 | 122.4 | ||||
| 158 | V | 39.7 | Very low | 43.4 | Very low | 122 Ų | 122 | 132 Ų | 132 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | trans | -135.4 | 133.4 | -175 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 159 | P | 41.5 | Very low | 43.8 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -127 | 158.7 | 144.2 | 24.2 | -6.7 | 0 | 0 | 0 | 113.2 | ||||
| 160 | A | 36 | Very low | 45.2 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | trans | -114.9 | 149.9 | -153 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 161 | Q | 42.6 | Very low | 46.3 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | 68.6 | 161.1 | 159 | -57.2 | -75 | -27.9 | 0 | 0 | 116.3 | ||||
| 162 | P | 44.7 | Very low | 47 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | cis | -126.7 | -166.3 | 6.4 | 42.3 | -25.6 | 0 | 0 | 0 | 115 | ||||
| 163 | A | 48.4 | Very low | 47.6 | Very low | 80 Ų | 80 | 134 Ų | 134 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | trans | -52 | 142.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116 | E165 | A163-E165 PolarHBondContact O-N 3.34Š| ||
| 164 | K | 48.8 | Very low | 48.3 | Very low | 211 Ų | 211 | 135.6 Ų | 135.6 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | trans | -87.4 | 94.5 | 162 | -72.4 | -178.4 | -179.9 | 175.9 | 0 | 109.2 | ||||
| 165 | E | 47 | Very low | 49.2 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 151.6 | 169.5 | -63.6 | 173.7 | 159.7 | 0 | 0 | 110.6 | A163 | A163-E165 PolarHBondContact O-N 3.34Š|
| 166 | L | 59.8 | Low | 49.9 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 148 | 174.8 | -67.9 | 166.2 | 0 | 0 | 0 | 109.9 | A168 | L166-A168 PolarHBondContact O-N 3.11Š|
| 167 | P | 63.8 | Low | 50.6 | Low | 97 Ų | 97 | 134.6 Ų | 134.6 | 63% | 0.63 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 130.4 | -179.5 | 24.7 | -34 | 0 | 0 | 0 | 111.1 | D169 F170 | P167-D169 PolarHBondContact O-N 3.41Å; P167-F170 PolarHBondContact O-N 3.06Å; P167-F170 VanDerWaalsContact O-N 3.16Å |
| 168 | A | 57.4 | Low | 51.1 | Low | 98 Ų | 98 | 133.5 Ų | 133.5 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -60.4 | -17.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L166 | L166-A168 PolarHBondContact O-N 3.11Š|
| 169 | D | 54.6 | Low | 51.4 | Low | 139 Ų | 139 | 132.7 Ų | 132.7 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -85.6 | 2.1 | 179.8 | -71.6 | -34.7 | 0 | 0 | 0 | 114.8 | P167 F171 | P167-D169 PolarHBondContact O-N 3.41Å; D169-F171 PolarHBondContact O-N 2.83Å |
| 170 | F | 67.4 | Low | 51.6 | Low | 161 Ų | 161 | 131.9 Ų | 131.9 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -68.7 | -21.8 | 177.9 | -171 | -97.7 | 0 | 0 | 0 | 113.6 | P167 | P167-F170 PolarHBondContact O-N 3.06Å; P167-F170 VanDerWaalsContact O-N 3.16Å |
| 171 | F | 62.8 | Low | 51.8 | Low | 186 Ų | 186 | 133.8 Ų | 133.8 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -113.1 | -1.8 | -175.1 | -79.2 | -77.1 | 0 | 0 | 0 | 115.4 | D169 | D169-F171 PolarHBondContact O-N 2.83Š|
| 172 | D | 58.1 | Low | 51.7 | Low | 133 Ų | 133 | 130.4 Ų | 130.4 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | -108.3 | 65 | -178.6 | -162.5 | 12.6 | 0 | 0 | 0 | 113 | ||||
| 173 | S | 50.1 | Low | 51.3 | Low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -152.8 | 96.4 | 165 | -86.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 174 | S | 53.2 | Low | 51.2 | Low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | 67.1 | 72.8 | 156.5 | -57.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 175 | I | 56 | Low | 50.6 | Low | 165 Ų | 165 | 127.9 Ų | 127.9 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -99.1 | 111.2 | 145.1 | -56.2 | 176.4 | 0 | 0 | 0 | 107.7 | ||||
| 176 | P | 50.5 | Low | 50.1 | Low | 99 Ų | 99 | 124.6 Ų | 124.6 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | trans | -69.8 | 136.2 | 173.4 | 28.4 | -32.8 | 0 | 0 | 0 | 110.2 | T178 | P176-T178 PolarHBondContact O-N 2.85Å; P176-T178 VanDerWaalsContact O-N 3.13Å | ||
| 177 | P | 49 | Very low | 49.1 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | trans | -70.4 | 111.3 | -177.9 | 28 | -33.9 | 0 | 0 | 0 | 110.6 | ||||
| 178 | T | 41.4 | Very low | 47.8 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -80.7 | 137.4 | 169.1 | 47.3 | 0 | 0 | 0 | 0 | 109.9 | P176 | P176-T178 PolarHBondContact O-N 2.85Å; P176-T178 VanDerWaalsContact O-N 3.13Å | ||
| 179 | P | 46.3 | Very low | 46.9 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | trans | -70.5 | 143.9 | -177.6 | 28.6 | -34.5 | 0 | 0 | 0 | 111.1 | I181 | P179-I181 WeakPolarHBondContact O-CG1 3.34Å; P179-I181 PolarHBondContact O-N 2.76Å | ||
| 180 | A | 46.4 | Very low | 46 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -65.1 | 102.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S182 | A180-S182 PolarHBondContact O-N 2.91Š| ||
| 181 | I | 39.1 | Very low | 44.3 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 62% | 0.621 | 78% | 0.781 | S | S | * | * | trans | -86.5 | 108 | 175.4 | -46.9 | 179.3 | 0 | 0 | 0 | 108.3 | P179 H183 | P179-I181 WeakPolarHBondContact O-CG1 3.34Å; P179-I181 PolarHBondContact O-N 2.76Å; I181-H183 WeakPolarHBondContact CG2-CE1 3.45Å; I181-H183 PolarHBondContact O-N 3.49Å | ||
| 182 | S | 40.8 | Very low | 43.3 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -71.8 | 119.7 | 170.2 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | A180 | A180-S182 PolarHBondContact O-N 2.91Š| ||
| 183 | H | 37.3 | Very low | 42.4 | Very low | 166 Ų | 166 | 125.2 Ų | 125.2 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -104.7 | 59.7 | 175.6 | -45.7 | -56.2 | 0 | 0 | 0 | 111.4 | I181 | I181-H183 WeakPolarHBondContact CG2-CE1 3.45Å; I181-H183 PolarHBondContact O-N 3.49Å | ||
| 184 | S | 45.8 | Very low | 41.8 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -97 | 112.7 | 166.2 | -98.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 185 | G | 35.5 | Very low | 41 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | 141.4 | 103.2 | 179 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 186 | S | 36.7 | Very low | 40.1 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | 79.1 | 98.5 | 66.4 | -166.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 187 | I | 38.8 | Very low | 39.8 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | 49 | 109.3 | 143.1 | -55.8 | 163.5 | 0 | 0 | 0 | 118.1 | ||||
| 188 | L | 36.4 | Very low | 39.9 | Very low | 179 Ų | 179 | 135.1 Ų | 135.1 | 94% | 0.937 | 79% | 0.793 | S | S | * | * | -148.8 | 167.5 | 129.9 | -86.6 | -168.3 | 0 | 0 | 0 | 109.9 | |||||
| 189 | K | 38.5 | Very low | 39.8 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -135.6 | 157.8 | -152 | 179.4 | 166.1 | 178.1 | 164.4 | 0 | 113.3 | ||||
| 190 | A | 35.1 | Very low | 39.9 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | 74.4 | 148.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 191 | D | 32.2 | Very low | 40.2 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | cis | -143.1 | 157.8 | 19.2 | -163.3 | -143.6 | 0 | 0 | 0 | 112.4 | ||||
| 192 | A | 41.7 | Very low | 40.3 | Very low | 74 Ų | 74 | 146 Ų | 146 | 61% | 0.612 | 81% | 0.808 | S | S | * | * | trans | -98.5 | 161.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 193 | P | 39.8 | Very low | 41 | Very low | 133 Ų | 133 | 147.6 Ų | 147.6 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | -149.4 | 123.6 | 85.5 | 34.6 | -15.2 | 0 | 0 | 0 | 114.9 | |||||
| 194 | E | 36.4 | Very low | 41.4 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -106.6 | 144.9 | 169.9 | -154.2 | -178.6 | 167.2 | 0 | 0 | 111.8 | ||||
| 195 | K | 37.2 | Very low | 41.7 | Very low | 201 Ų | 201 | 146.7 Ų | 146.7 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -82.8 | 120.8 | -179.8 | -97 | 179.3 | 172.6 | 176.3 | 0 | 111.2 | ||||
| 196 | T | 37.9 | Very low | 42.8 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -70.4 | 145.1 | 167.8 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 197 | P | 43.9 | Very low | 43.9 | Very low | 125 Ų | 125 | 147 Ų | 147 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -108.9 | 137.7 | 137.7 | 33 | -28.8 | 0 | 0 | 0 | 110.2 | ||||
| 198 | E | 49.7 | Very low | 45.5 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -76 | 135.4 | -168 | -57 | 167 | 104.5 | 0 | 0 | 113.6 | ||||
| 199 | K | 41.1 | Very low | 46.4 | Very low | 203 Ų | 203 | 144.1 Ų | 144.1 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -153.5 | 87.1 | 150.2 | -135.3 | 173.3 | -174.9 | 178.2 | 0 | 114.5 | ||||
| 200 | K | 48 | Very low | 47.3 | Very low | 180 Ų | 180 | 137.5 Ų | 137.5 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | 35.5 | 109.3 | 144.8 | -63.5 | -173.5 | 175.2 | -178.5 | 0 | 119.6 | ||||
| 201 | D | 52 | Low | 48.6 | Very low | 130 Ų | 130 | 139 Ų | 139 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | 55.8 | 93.2 | 121.2 | -47.1 | -47.1 | 0 | 0 | 0 | 118.7 | |||||
| 202 | N | 42.2 | Very low | 49.7 | Very low | 173 Ų | 173 | 136 Ų | 136 | 93% | 0.925 | 75% | 0.745 | S | S | * | * | -144.1 | 110.9 | 122.6 | -89.4 | -63.2 | 0 | 0 | 0 | 109.6 | |||||
| 203 | T | 54.8 | Low | 50.5 | Low | 142 Ų | 142 | 140.5 Ų | 140.5 | 87% | 0.871 | 76% | 0.759 | S | S | * | * | trans | -86.8 | 116.9 | 179.8 | -74.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 204 | A | 44.5 | Very low | 52 | Low | 93 Ų | 93 | 138.8 Ų | 138.8 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 163.6 | -30.5 | 142.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 205 | E | 53.6 | Low | 53.7 | Low | 172 Ų | 172 | 134.5 Ų | 134.5 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | -114 | 51.4 | -173.2 | -65.4 | -170.7 | 147.3 | 0 | 0 | 112.4 | L207 | E205-L207 HydrophobicContact CB-CD1 4.28Å; E205-L207 PolarHBondContact O-N 3.36Å | ||
| 206 | A | 58.7 | Low | 55.2 | Low | 102 Ų | 102 | 129.1 Ų | 129.1 | 84% | 0.843 | 72% | 0.715 | S | S | * | * | trans | -74.1 | 73.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 207 | L | 59.9 | Low | 56.6 | Low | 85 Ų | 85 | 130.4 Ų | 130.4 | 45% | 0.445 | 71% | 0.705 | S | S | . | * | P | Polyproline II helix | trans | -49.9 | 128.5 | 166.5 | -91 | 46.7 | 0 | 0 | 0 | 108.7 | E205 F211 | E205-L207 HydrophobicContact CB-CD1 4.28Å; E205-L207 PolarHBondContact O-N 3.36Å; L207-F211 HydrophobicContact CB-CB 3.88Å; L207-F211 HydrophobicContact CB-CD1 4Å; L207-F211 HydrophobicContact CB-CD2 4.3Å; L207-F211 HydrophobicContact CB-CG 3.81Å; L207-F211 HydrophobicContact CD2-CD1 3.3Å; L207-F211 HydrophobicContact CD2-CE1 3.36Å; L207-F211 HydrophobicContact CD2-CG 3.99Å; L207-F211 HydrophobicContact CD2-CZ 4.09Å; L207-F211 HydrophobicContact CG-CB 4.26Å; L207-F211 HydrophobicContact CG-CD1 3.46Å; L207-F211 VanDerWaalsContact CG-CD1 3.46Å; L207-F211 HydrophobicContact CG-CD2 3.92Å; L207-F211 HydrophobicContact CG-CE1 3.63Å; L207-F211 HydrophobicContact CG-CE2 4.06Å; L207-F211 HydrophobicContact CG-CG 3.61Å; L207-F211 HydrophobicContact CG-CZ 3.92Å |
| 208 | P | 71.8 | Confident | 57.7 | Low | 90 Ų | 90 | 126.4 Ų | 126.4 | 58% | 0.584 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 151 | -178.7 | -28.2 | 35.5 | 0 | 0 | 0 | 113.1 | G210 F211 | P208-G210 PolarHBondContact O-N 2.79Å; P208-G210 VanDerWaalsContact O-N 3.17Å; P208-F211 WeakPolarHBondContact O-CB 3.36Å; P208-F211 PolarHBondContact O-N 3.47Å |
| 209 | E | 55.3 | Low | 58.7 | Low | 175 Ų | 175 | 118 Ų | 118 | 82% | 0.818 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 120.4 | 171 | -169 | 167 | -151.9 | 0 | 0 | 109.3 | ||
| 210 | G | 57.1 | Low | 60.2 | Low | 55 Ų | 55 | 116.3 Ų | 116.3 | 57% | 0.567 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.6 | 11.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | P208 | P208-G210 PolarHBondContact O-N 2.79Å; P208-G210 VanDerWaalsContact O-N 3.17Å |
| 211 | F | 62.1 | Low | 61.2 | Low | 125 Ų | 125 | 112.9 Ų | 112.9 | 55% | 0.548 | 63% | 0.626 | S | S | . | * | trans | -70 | -32.6 | 174.7 | -179.8 | -83 | 0 | 0 | 0 | 113.4 | L207 P208 | L207-F211 HydrophobicContact CB-CB 3.88Å; L207-F211 HydrophobicContact CB-CD1 4Å; L207-F211 HydrophobicContact CB-CD2 4.3Å; L207-F211 HydrophobicContact CB-CG 3.81Å; L207-F211 HydrophobicContact CD2-CD1 3.3Å; L207-F211 HydrophobicContact CD2-CE1 3.36Å; L207-F211 HydrophobicContact CD2-CG 3.99Å; L207-F211 HydrophobicContact CD2-CZ 4.09Å; L207-F211 HydrophobicContact CG-CB 4.26Å; L207-F211 HydrophobicContact CG-CD1 3.46Å; L207-F211 VanDerWaalsContact CG-CD1 3.46Å; L207-F211 HydrophobicContact CG-CD2 3.92Å; L207-F211 HydrophobicContact CG-CE1 3.63Å; L207-F211 HydrophobicContact CG-CE2 4.06Å; L207-F211 HydrophobicContact CG-CG 3.61Å; L207-F211 HydrophobicContact CG-CZ 3.92Å; P208-F211 WeakPolarHBondContact O-CB 3.36Å; P208-F211 PolarHBondContact O-N 3.47Å | ||
| 212 | F | 56.5 | Low | 62 | Low | 97 Ų | 97 | 114.2 Ų | 114.2 | 43% | 0.425 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -82.5 | 116 | 165.2 | -98 | -94.8 | 0 | 0 | 0 | 108.5 | D214 R217 | F212-D214 PolarHBondContact O-N 2.96Å; F212-R217 HydrophobicContact CD1-CB 4.07Å |
| 213 | D | 57.8 | Low | 62.9 | Low | 168 Ų | 168 | 113 Ų | 113 | 90% | 0.898 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -56.6 | -6.6 | 179.1 | -112.4 | -18.8 | 0 | 0 | 0 | 114.7 | ||
| 214 | D | 71.4 | Confident | 63.4 | Low | 97 Ų | 97 | 109.6 Ų | 109.6 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | trans | -116.6 | 109.6 | 174 | -97.6 | -40.1 | 0 | 0 | 0 | 110.8 | F212 V216 R217 D218 | F212-D214 PolarHBondContact O-N 2.96Å; D214-V216 PolarHBondContact O-N 2.92Å; D214-R217 HydrophobicContact CB-CB 4.2Å; D214-R217 HydrophobicContact CB-CG 3.82Å; D214-R217 PolarHBondContact O-N 3.05Å; D214-D218 PolarHBondContact O-N 3.42Å | ||
| 215 | P | 72.4 | Confident | 64.5 | Low | 97 Ų | 97 | 108.7 Ų | 108.7 | 63% | 0.63 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -55 | -27.2 | 176 | -27.9 | 35.1 | 0 | 0 | 0 | 114.3 | A219 | P215-A219 WeakPolarHBondContact O-CB 3.43Å; P215-A219 PolarHBondContact O-N 3.03Å; P215-A219 VanDerWaalsContact O-N 3.11Å |
| 216 | V | 69.3 | Low | 65.5 | Low | 89 Ų | 89 | 101.5 Ų | 101.5 | 54% | 0.539 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.7 | -33.6 | 177.4 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | D214 K220 A226 | D214-V216 PolarHBondContact O-N 2.92Å; V216-K220 WeakPolarHBondContact O-CB 3.3Å; V216-K220 PolarHBondContact O-N 3.16Å; V216-A226 HydrophobicContact CG1-CB 4.4Å |
| 217 | R | 66.4 | Low | 66.3 | Low | 152 Ų | 152 | 100.9 Ų | 100.9 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -78.7 | -38.4 | 178.6 | -60.7 | -154.2 | 76.1 | 85.3 | 5.2 | 111.4 | F212 D214 K220 V221 | F212-R217 HydrophobicContact CD1-CB 4.07Å; D214-R217 HydrophobicContact CB-CB 4.2Å; D214-R217 HydrophobicContact CB-CG 3.82Å; D214-R217 PolarHBondContact O-N 3.05Å; R217-K220 PolarHBondContact O-N 3.49Å; R217-V221 WeakPolarHBondContact O-CG2 3.27Å; R217-V221 PolarHBondContact O-N 3.47Å |
| 218 | D | 67.9 | Low | 66.9 | Low | 42 Ų | 42 | 104.9 Ų | 104.9 | 23% | 0.225 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -58.6 | -52.3 | 173.4 | -171.6 | 82.1 | 0 | 0 | 0 | 111.2 | D214 K220 V221 R222 | D214-D218 PolarHBondContact O-N 3.42Å; D218-K220 VanDerWaalsContact C-N 3.29Å; D218-K220 PolarHBondContact O-N 3.25Å; D218-V221 PolarHBondContact O-N 2.86Å; D218-V221 VanDerWaalsContact O-N 3.1Å; D218-R222 PolarHBondContact O-N 2.78Å |
| 219 | A | 69.8 | Low | 67.1 | Low | 10 Ų | 10 | 103.9 Ų | 103.9 | 8% | 0.083 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -54 | -44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P215 V221 R222 N223 V224 | P215-A219 WeakPolarHBondContact O-CB 3.43Å; P215-A219 PolarHBondContact O-N 3.03Å; P215-A219 VanDerWaalsContact O-N 3.11Å; A219-V221 PolarHBondContact O-N 3.16Å; A219-R222 CarbonylContact O-C 3.51Å; A219-R222 PolarHBondContact O-N 3.19Å; A219-N223 PolarHBondContact O-N 2.79Å; A219-V224 CarbonylContact C-O 3.43Å; A219-V224 WeakPolarHBondContact CB-O 3.4Å; A219-V224 PolarHBondContact O-N 3.47Å |
| 220 | K | 72.4 | Confident | 68.2 | Low | 168 Ų | 168 | 100 Ų | 100 | 73% | 0.73 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.2 | -35.8 | 178.7 | -163.5 | 64.6 | 171.5 | -177 | 0 | 113.5 | V216 R217 D218 N223 | V216-K220 WeakPolarHBondContact O-CB 3.3Å; V216-K220 PolarHBondContact O-N 3.16Å; R217-K220 PolarHBondContact O-N 3.49Å; D218-K220 VanDerWaalsContact C-N 3.29Å; D218-K220 PolarHBondContact O-N 3.25Å; K220-N223 PolarHBondContact O-N 3Å |
| 221 | V | 69.3 | Low | 69.2 | Low | 109 Ų | 109 | 103 Ų | 103 | 66% | 0.661 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -73.5 | -37.3 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | R217 D218 A219 N223 | R217-V221 WeakPolarHBondContact O-CG2 3.27Å; R217-V221 PolarHBondContact O-N 3.47Å; D218-V221 PolarHBondContact O-N 2.86Å; D218-V221 VanDerWaalsContact O-N 3.1Å; A219-V221 PolarHBondContact O-N 3.16Å; V221-N223 PolarHBondContact O-N 2.89Å; V221-N223 PolarHBondContact O-ND2 3.08Å |
| 222 | R | 69.2 | Low | 70.4 | Confident | 158 Ų | 158 | 101.4 Ų | 101.4 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -73.9 | -7.9 | 172.9 | -101.5 | 162.5 | 58.6 | 92.9 | -11.7 | 114.4 | D218 A219 V224 | D218-R222 PolarHBondContact O-N 2.78Å; A219-R222 CarbonylContact O-C 3.51Å; A219-R222 PolarHBondContact O-N 3.19Å; R222-V224 HydrophobicContact CB-CG2 4.17Å; R222-V224 PolarHBondContact O-N 2.73Å |
| 223 | N | 60 | Low | 71.9 | Confident | 148 Ų | 148 | 100.4 Ų | 100.4 | 79% | 0.791 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 30.2 | -171.1 | -57.1 | -89.7 | 0 | 0 | 0 | 113.2 | A219 K220 V221 | A219-N223 PolarHBondContact O-N 2.79Å; K220-N223 PolarHBondContact O-N 3Å; V221-N223 PolarHBondContact O-N 2.89Å; V221-N223 PolarHBondContact O-ND2 3.08Å |
| 224 | V | 65.9 | Low | 73.4 | Confident | 69 Ų | 69 | 98 Ų | 98 | 42% | 0.418 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -94.3 | 136 | 168.3 | 177.3 | 0 | 0 | 0 | 0 | 106.8 | A219 R222 A226 | A219-V224 CarbonylContact C-O 3.43Å; A219-V224 WeakPolarHBondContact CB-O 3.4Å; A219-V224 PolarHBondContact O-N 3.47Å; R222-V224 HydrophobicContact CB-CG2 4.17Å; R222-V224 PolarHBondContact O-N 2.73Å; V224-A226 PolarHBondContact O-N 2.84Å |
| 225 | D | 68.3 | Low | 74.3 | Confident | 75 Ų | 75 | 100.6 Ų | 100.6 | 40% | 0.401 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 134.5 | 175.8 | -73.9 | -33.8 | 0 | 0 | 0 | 109.9 | Q230 K233 | D225-Q230 HydrophobicContact CB-CG 3.77Å; D225-K233 IonicContact OD1-NZ 2.96Å; D225-K233 PolarHBondContact OD1-NZ 2.89Å; D225-K233 IonicContact OD2-NZ 2.74Å; D225-K233 PolarHBondContact OD2-NZ 3.13Å |
| 226 | A | 75.1 | Confident | 75.3 | Confident | 20 Ų | 20 | 102.4 Ų | 102.4 | 17% | 0.165 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 144.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109 | V216 V224 K228 D229 Q230 | V216-A226 HydrophobicContact CG1-CB 4.4Å; V224-A226 PolarHBondContact O-N 2.84Å; A226-K228 PolarHBondContact O-N 3.36Å; A226-D229 HydrophobicContact CB-CB 4.25Å; A226-D229 WeakPolarHBondContact O-CA 3.33Å; A226-D229 VanDerWaalsContact O-CB 3.31Å; A226-D229 WeakPolarHBondContact O-CB 3.43Å; A226-D229 PolarHBondContact O-N 2.74Å; A226-Q230 PolarHBondContact O-N 3.12Å; A226-Q230 VanDerWaalsContact O-N 3.1Å |
| 227 | P | 74.4 | Confident | 76.3 | Confident | 89 Ų | 89 | 104.5 Ų | 104.5 | 58% | 0.578 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -53.7 | -31.7 | -177.5 | -30.9 | 36.4 | 0 | 0 | 0 | 114.4 | M231 | P227-M231 WeakPolarHBondContact O-CG 3.47Å; P227-M231 PolarHBondContact O-N 3.33Å |
| 228 | K | 73.3 | Confident | 77.6 | Confident | 169 Ų | 169 | 102.9 Ų | 102.9 | 74% | 0.735 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.4 | -44.5 | 170.6 | -80.9 | -179.3 | 172.3 | 176.1 | 0 | 113.3 | A226 Q230 M231 D232 | A226-K228 PolarHBondContact O-N 3.36Å; K228-Q230 PolarHBondContact O-N 2.8Å; K228-M231 PolarHBondContact O-N 3.4Å; K228-M231 VanDerWaalsContact O-N 3.1Å; K228-D232 VanDerWaalsContact O-CG 3.28Å; K228-D232 PolarHBondContact O-N 2.84Å |
| 229 | D | 75.2 | Confident | 79 | Confident | 70 Ų | 70 | 104.6 Ų | 104.6 | 37% | 0.374 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -28.2 | -179 | -160.9 | 70 | 0 | 0 | 0 | 111.6 | A226 K233 | A226-D229 HydrophobicContact CB-CB 4.25Å; A226-D229 WeakPolarHBondContact O-CA 3.33Å; A226-D229 VanDerWaalsContact O-CB 3.31Å; A226-D229 WeakPolarHBondContact O-CB 3.43Å; A226-D229 PolarHBondContact O-N 2.74Å; D229-K233 WeakPolarHBondContact O-CB 3.43Å; D229-K233 WeakPolarHBondContact O-CD 3.35Å; D229-K233 WeakPolarHBondContact O-CG 3.07Å; D229-K233 PolarHBondContact O-N 2.91Å; D229-K233 VanDerWaalsContact O-N 3.16Å; D229-K233 VanDerWaalsContact OD2-CE 3.28Å; D229-K233 WeakPolarHBondContact OD2-CE 3.19Å; D229-K233 IonicContact OD2-NZ 2.65Å; D229-K233 PolarHBondContact OD2-NZ 2.79Å |
| 230 | Q | 77.6 | Confident | 80.2 | Confident | 92 Ų | 92 | 110.1 Ų | 110.1 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.3 | -48.8 | 168 | -69.3 | -174.1 | -28.3 | 0 | 0 | 112.2 | D225 A226 K228 D232 K233 E234 | D225-Q230 HydrophobicContact CB-CG 3.77Å; A226-Q230 PolarHBondContact O-N 3.12Å; A226-Q230 VanDerWaalsContact O-N 3.1Å; K228-Q230 PolarHBondContact O-N 2.8Å; Q230-D232 VanDerWaalsContact C-N 3.29Å; Q230-D232 PolarHBondContact O-N 3.41Å; Q230-K233 PolarHBondContact O-N 3.26Å; Q230-E234 PolarHBondContact O-N 3.37Å |
| 231 | M | 79.4 | Confident | 81.2 | Confident | 118 Ų | 118 | 106 Ų | 106 | 58% | 0.581 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.1 | -38 | 177 | -62.8 | -56.5 | -55.1 | 0 | 0 | 112.2 | P227 K228 W235 | P227-M231 WeakPolarHBondContact O-CG 3.47Å; P227-M231 PolarHBondContact O-N 3.33Å; K228-M231 PolarHBondContact O-N 3.4Å; K228-M231 VanDerWaalsContact O-N 3.1Å; M231-W235 VanDerWaalsContact O-CB 3.24Å; M231-W235 WeakPolarHBondContact O-CB 3.38Å; M231-W235 PolarHBondContact O-N 3.13Å |
| 232 | D | 87.9 | Confident | 82.5 | Confident | 93 Ų | 93 | 104.6 Ų | 104.6 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 177.2 | -68.4 | -31.9 | 0 | 0 | 0 | 111.2 | K228 Q230 W235 E236 | K228-D232 VanDerWaalsContact O-CG 3.28Å; K228-D232 PolarHBondContact O-N 2.84Å; Q230-D232 VanDerWaalsContact C-N 3.29Å; Q230-D232 PolarHBondContact O-N 3.41Å; D232-W235 PolarHBondContact O-N 3.29Å; D232-E236 WeakPolarHBondContact O-CG 3.48Å; D232-E236 PolarHBondContact O-N 3Å |
| 233 | K | 87.4 | Confident | 83.6 | Confident | 75 Ų | 75 | 103.5 Ų | 103.5 | 33% | 0.326 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -48.4 | 172.7 | -75.1 | 161.8 | -175.8 | 162.1 | 0 | 112.4 | D225 D229 Q230 W235 E236 E237 | D225-K233 IonicContact OD1-NZ 2.96Å; D225-K233 PolarHBondContact OD1-NZ 2.89Å; D225-K233 IonicContact OD2-NZ 2.74Å; D225-K233 PolarHBondContact OD2-NZ 3.13Å; D229-K233 WeakPolarHBondContact O-CB 3.43Å; D229-K233 WeakPolarHBondContact O-CD 3.35Å; D229-K233 WeakPolarHBondContact O-CG 3.07Å; D229-K233 PolarHBondContact O-N 2.91Å; D229-K233 VanDerWaalsContact O-N 3.16Å; D229-K233 VanDerWaalsContact OD2-CE 3.28Å; D229-K233 WeakPolarHBondContact OD2-CE 3.19Å; D229-K233 IonicContact OD2-NZ 2.65Å; D229-K233 PolarHBondContact OD2-NZ 2.79Å; Q230-K233 PolarHBondContact O-N 3.26Å; K233-W235 PolarHBondContact O-N 3.26Å; K233-E236 PolarHBondContact O-N 3.17Å; K233-E237 WeakPolarHBondContact O-CB 3.42Å; K233-E237 WeakPolarHBondContact O-CG 3.45Å; K233-E237 PolarHBondContact O-N 3.05Å |
| 234 | E | 89 | Confident | 85.3 | Confident | 118 Ų | 118 | 99.9 Ų | 99.9 | 55% | 0.551 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.2 | -35.4 | 176.3 | -71.3 | -178.3 | -172.8 | 0 | 0 | 111.6 | Q230 F238 | Q230-E234 PolarHBondContact O-N 3.37Å; E234-F238 WeakPolarHBondContact O-CB 3.4Å; E234-F238 PolarHBondContact O-N 2.7Å |
| 235 | W | 90.5 | Very high | 86.7 | Confident | 151 Ų | 151 | 100 Ų | 100 | 57% | 0.572 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.1 | -45.1 | 174.7 | -179.9 | -111.2 | 0 | 0 | 0 | 112.7 | M231 D232 K233 E237 F238 Q239 | M231-W235 VanDerWaalsContact O-CB 3.24Å; M231-W235 WeakPolarHBondContact O-CB 3.38Å; M231-W235 PolarHBondContact O-N 3.13Å; D232-W235 PolarHBondContact O-N 3.29Å; K233-W235 PolarHBondContact O-N 3.26Å; W235-E237 VanDerWaalsContact C-N 3.34Å; W235-F238 HydrophobicContact CE3-CD1 4.2Å; W235-F238 AromaticContact CZ3-CD1 3.97Å; W235-F238 HydrophobicContact CZ3-CD1 3.97Å; W235-F238 HydrophobicContact CZ3-CE1 4.3Å; W235-F238 PolarHBondContact O-N 2.87Å; W235-Q239 WeakPolarHBondContact O-CB 3.45Å; W235-Q239 PolarHBondContact O-N 2.89Å |
| 236 | E | 93.3 | Very high | 87.9 | Confident | 135 Ų | 135 | 100.4 Ų | 100.4 | 63% | 0.631 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.3 | -42 | 173.4 | -76.7 | -171.1 | 173.8 | 0 | 0 | 111.8 | D232 K233 Q239 K240 | D232-E236 WeakPolarHBondContact O-CG 3.48Å; D232-E236 PolarHBondContact O-N 3Å; K233-E236 PolarHBondContact O-N 3.17Å; E236-Q239 PolarHBondContact O-N 3.5Å; E236-K240 WeakPolarHBondContact O-CB 3.39Å; E236-K240 PolarHBondContact O-N 3.34Å |
| 237 | E | 89.6 | Confident | 88.9 | Confident | 133 Ų | 133 | 103.6 Ų | 103.6 | 62% | 0.621 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.8 | -44.9 | 176 | -74.9 | -178.3 | -178.4 | 0 | 0 | 111.9 | K233 W235 K240 E241 | K233-E237 WeakPolarHBondContact O-CB 3.42Å; K233-E237 WeakPolarHBondContact O-CG 3.45Å; K233-E237 PolarHBondContact O-N 3.05Å; W235-E237 VanDerWaalsContact C-N 3.34Å; E237-K240 PolarHBondContact O-N 3.13Å; E237-E241 PolarHBondContact O-N 3.48Å |
| 238 | F | 94.9 | Very high | 89.9 | Confident | 118 Ų | 118 | 104.3 Ų | 104.3 | 52% | 0.518 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 173.6 | 176.7 | -106.8 | 0 | 0 | 0 | 111.6 | E234 W235 K240 E241 I242 | E234-F238 WeakPolarHBondContact O-CB 3.4Å; E234-F238 PolarHBondContact O-N 2.7Å; W235-F238 HydrophobicContact CE3-CD1 4.2Å; W235-F238 AromaticContact CZ3-CD1 3.97Å; W235-F238 HydrophobicContact CZ3-CD1 3.97Å; W235-F238 HydrophobicContact CZ3-CE1 4.3Å; W235-F238 PolarHBondContact O-N 2.87Å; F238-K240 VanDerWaalsContact C-N 3.26Å; F238-K240 PolarHBondContact O-N 3.05Å; F238-E241 PolarHBondContact O-N 2.97Å; F238-E241 VanDerWaalsContact O-N 3.12Å; F238-I242 HydrophobicContact CE1-CG1 4.12Å; F238-I242 HydrophobicContact CE2-CD1 4.2Å; F238-I242 HydrophobicContact CE2-CG1 4.26Å; F238-I242 HydrophobicContact CZ-CD1 4Å; F238-I242 HydrophobicContact CZ-CG1 3.96Å; F238-I242 WeakPolarHBondContact O-CG1 3.4Å; F238-I242 PolarHBondContact O-N 3.12Å |
| 239 | Q | 95.7 | Very high | 90.9 | Very high | 78 Ų | 78 | 98.9 Ų | 98.9 | 36% | 0.364 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.2 | -31.8 | 179.8 | -151.1 | -170.7 | 49.6 | 0 | 0 | 111.8 | W235 E236 R243 | W235-Q239 WeakPolarHBondContact O-CB 3.45Å; W235-Q239 PolarHBondContact O-N 2.89Å; E236-Q239 PolarHBondContact O-N 3.5Å; Q239-R243 VanDerWaalsContact C-NH1 3.34Å; Q239-R243 VanDerWaalsContact CD-NH2 3.32Å; Q239-R243 WeakPolarHBondContact O-CG 3.48Å; Q239-R243 PolarHBondContact O-N 2.84Å; Q239-R243 PolarHBondContact O-NH1 3.28Å |
| 240 | K | 94.9 | Very high | 91.9 | Very high | 127 Ų | 127 | 101.8 Ų | 101.8 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -71.6 | -38 | 172.1 | -179.2 | -172.6 | 175 | -172.5 | 0 | 112 | E236 E237 F238 R243 Q244 | E236-K240 WeakPolarHBondContact O-CB 3.39Å; E236-K240 PolarHBondContact O-N 3.34Å; E237-K240 PolarHBondContact O-N 3.13Å; F238-K240 VanDerWaalsContact C-N 3.26Å; F238-K240 PolarHBondContact O-N 3.05Å; K240-R243 PolarHBondContact O-N 3.25Å; K240-Q244 WeakPolarHBondContact O-CG 3.4Å; K240-Q244 PolarHBondContact O-N 3.38Å; K240-Q244 PolarHBondContact O-NE2 3.05Å |
| 241 | E | 93.6 | Very high | 92.7 | Very high | 81 Ų | 81 | 100.2 Ų | 100.2 | 38% | 0.379 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | 174.9 | -165.2 | 57.8 | -143.6 | 0 | 0 | 111.4 | E237 F238 R243 Q244 V245 K248 | E237-E241 PolarHBondContact O-N 3.48Å; F238-E241 PolarHBondContact O-N 2.97Å; F238-E241 VanDerWaalsContact O-N 3.12Å; E241-R243 PolarHBondContact O-N 3.34Å; E241-Q244 CarbonylContact O-C 3.46Å; E241-Q244 WeakPolarHBondContact O-CB 3.36Å; E241-Q244 PolarHBondContact O-N 3.48Å; E241-Q244 VanDerWaalsContact O-N 3.13Å; E241-Q244 PolarHBondContact OE2-NE2 3.35Å; E241-V245 HydrophobicContact CG-CG2 4.49Å; E241-V245 WeakPolarHBondContact O-CG2 3.48Å; E241-V245 PolarHBondContact O-N 2.87Å; E241-K248 IonicContact OE1-NZ 2.83Å; E241-K248 PolarHBondContact OE1-NZ 3.32Å |
| 242 | I | 96.6 | Very high | 93.3 | Very high | 79 Ų | 79 | 100 Ų | 100 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.3 | -45.9 | 172.8 | -65 | -63.1 | 0 | 0 | 0 | 111.4 | F238 Q244 V245 N246 | F238-I242 HydrophobicContact CE1-CG1 4.12Å; F238-I242 HydrophobicContact CE2-CD1 4.2Å; F238-I242 HydrophobicContact CE2-CG1 4.26Å; F238-I242 HydrophobicContact CZ-CD1 4Å; F238-I242 HydrophobicContact CZ-CG1 3.96Å; F238-I242 WeakPolarHBondContact O-CG1 3.4Å; F238-I242 PolarHBondContact O-N 3.12Å; I242-Q244 VanDerWaalsContact C-N 3.34Å; I242-Q244 PolarHBondContact O-N 2.99Å; I242-V245 PolarHBondContact O-N 2.9Å; I242-N246 PolarHBondContact O-N 2.86Å; I242-N246 PolarHBondContact O-OD1 3.18Å |
| 243 | R | 93.8 | Very high | 93.7 | Very high | 136 Ų | 136 | 100 Ų | 100 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 174.2 | -68.3 | 175.5 | -167.3 | 105.6 | -6.3 | 111.6 | Q239 K240 E241 N246 T247 | Q239-R243 VanDerWaalsContact C-NH1 3.34Å; Q239-R243 VanDerWaalsContact CD-NH2 3.32Å; Q239-R243 WeakPolarHBondContact O-CG 3.48Å; Q239-R243 PolarHBondContact O-N 2.84Å; Q239-R243 PolarHBondContact O-NH1 3.28Å; K240-R243 PolarHBondContact O-N 3.25Å; E241-R243 PolarHBondContact O-N 3.34Å; R243-N246 PolarHBondContact O-N 3.03Å; R243-T247 PolarHBondContact O-N 3.46Å; R243-T247 PolarHBondContact O-OG1 2.84Å |
| 244 | Q | 94.4 | Very high | 94.1 | Very high | 72 Ų | 72 | 99.2 Ų | 99.2 | 34% | 0.336 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 176.4 | -74.9 | 176.8 | 85 | 0 | 0 | 112.7 | K240 E241 I242 T247 K248 | K240-Q244 WeakPolarHBondContact O-CG 3.4Å; K240-Q244 PolarHBondContact O-N 3.38Å; K240-Q244 PolarHBondContact O-NE2 3.05Å; E241-Q244 CarbonylContact O-C 3.46Å; E241-Q244 WeakPolarHBondContact O-CB 3.36Å; E241-Q244 PolarHBondContact O-N 3.48Å; E241-Q244 VanDerWaalsContact O-N 3.13Å; E241-Q244 PolarHBondContact OE2-NE2 3.35Å; I242-Q244 VanDerWaalsContact C-N 3.34Å; I242-Q244 PolarHBondContact O-N 2.99Å; Q244-T247 PolarHBondContact O-N 3.47Å; Q244-K248 WeakPolarHBondContact O-CB 3.06Å; Q244-K248 WeakPolarHBondContact O-CD 3.45Å; Q244-K248 WeakPolarHBondContact O-CG 3.34Å; Q244-K248 PolarHBondContact O-N 3.13Å |
| 245 | V | 95.6 | Very high | 94.2 | Very high | 70 Ų | 70 | 99.5 Ų | 99.5 | 42% | 0.424 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 175.5 | 169.5 | 0 | 0 | 0 | 0 | 110.1 | E241 I242 T247 K248 S249 | E241-V245 HydrophobicContact CG-CG2 4.49Å; E241-V245 WeakPolarHBondContact O-CG2 3.48Å; E241-V245 PolarHBondContact O-N 2.87Å; I242-V245 PolarHBondContact O-N 2.9Å; V245-T247 PolarHBondContact O-N 3.35Å; V245-K248 PolarHBondContact O-N 3.3Å; V245-S249 PolarHBondContact O-N 2.68Å; V245-S249 PolarHBondContact O-OG 3.42Å |
| 246 | N | 94.4 | Very high | 94.4 | Very high | 84 Ų | 84 | 97.5 Ų | 97.5 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 174.9 | -71.2 | 10.6 | 0 | 0 | 0 | 111.6 | I242 R243 K248 S249 E250 | I242-N246 PolarHBondContact O-N 2.86Å; I242-N246 PolarHBondContact O-OD1 3.18Å; R243-N246 PolarHBondContact O-N 3.03Å; N246-K248 VanDerWaalsContact C-N 3.32Å; N246-K248 PolarHBondContact O-N 3.03Å; N246-S249 WeakPolarHBondContact CA-OG 3.32Å; N246-S249 PolarHBondContact O-N 2.85Å; N246-S249 VanDerWaalsContact O-N 3.16Å; N246-S249 PolarHBondContact O-OG 3.38Å; N246-E250 WeakPolarHBondContact O-CG 3.35Å; N246-E250 PolarHBondContact O-N 3.05Å |
| 247 | T | 96.3 | Very high | 94.5 | Very high | 87 Ų | 87 | 95.7 Ų | 95.7 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 175.9 | -53.7 | 0 | 0 | 0 | 0 | 112.3 | R243 Q244 V245 A251 | R243-T247 PolarHBondContact O-N 3.46Å; R243-T247 PolarHBondContact O-OG1 2.84Å; Q244-T247 PolarHBondContact O-N 3.47Å; V245-T247 PolarHBondContact O-N 3.35Å; T247-A251 WeakPolarHBondContact O-CB 3.45Å; T247-A251 PolarHBondContact O-N 2.88Å |
| 248 | K | 94.5 | Very high | 94.6 | Very high | 104 Ų | 104 | 95 Ų | 95 | 45% | 0.452 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 175 | -70.8 | 158.9 | -167.7 | 167.4 | 0 | 110.9 | E241 Q244 V245 N246 I252 | E241-K248 IonicContact OE1-NZ 2.83Å; E241-K248 PolarHBondContact OE1-NZ 3.32Å; Q244-K248 WeakPolarHBondContact O-CB 3.06Å; Q244-K248 WeakPolarHBondContact O-CD 3.45Å; Q244-K248 WeakPolarHBondContact O-CG 3.34Å; Q244-K248 PolarHBondContact O-N 3.13Å; V245-K248 PolarHBondContact O-N 3.3Å; N246-K248 VanDerWaalsContact C-N 3.32Å; N246-K248 PolarHBondContact O-N 3.03Å; K248-I252 WeakPolarHBondContact O-CD1 3.42Å; K248-I252 VanDerWaalsContact O-CG1 3.3Å; K248-I252 WeakPolarHBondContact O-CG1 3.22Å; K248-I252 PolarHBondContact O-N 3.18Å; K248-I252 VanDerWaalsContact O-N 3.16Å |
| 249 | S | 93.7 | Very high | 94.3 | Very high | 56 Ų | 56 | 92.6 Ų | 92.6 | 39% | 0.392 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.2 | -40.4 | 176.8 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | V245 N246 A251 I252 V253 | V245-S249 PolarHBondContact O-N 2.68Å; V245-S249 PolarHBondContact O-OG 3.42Å; N246-S249 WeakPolarHBondContact CA-OG 3.32Å; N246-S249 PolarHBondContact O-N 2.85Å; N246-S249 VanDerWaalsContact O-N 3.16Å; N246-S249 PolarHBondContact O-OG 3.38Å; S249-A251 VanDerWaalsContact C-N 3.32Å; S249-A251 PolarHBondContact O-N 3.33Å; S249-I252 PolarHBondContact O-N 2.99Å; S249-V253 WeakPolarHBondContact O-CG2 3.28Å; S249-V253 PolarHBondContact O-N 2.92Å |
| 250 | E | 96 | Very high | 94.2 | Very high | 130 Ų | 130 | 90.1 Ų | 90.1 | 61% | 0.607 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62 | -41.2 | 175.1 | -73.9 | 170.2 | -179.9 | 0 | 0 | 111.2 | N246 I252 V253 A254 | N246-E250 WeakPolarHBondContact O-CG 3.35Å; N246-E250 PolarHBondContact O-N 3.05Å; E250-I252 PolarHBondContact O-N 2.9Å; E250-V253 PolarHBondContact O-N 2.86Å; E250-A254 WeakPolarHBondContact O-CB 3.18Å; E250-A254 PolarHBondContact O-N 3.05Å |
| 251 | A | 95.6 | Very high | 94.2 | Very high | 59 Ų | 59 | 91.9 Ų | 91.9 | 49% | 0.488 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T247 S249 A254 E255 | T247-A251 WeakPolarHBondContact O-CB 3.45Å; T247-A251 PolarHBondContact O-N 2.88Å; S249-A251 VanDerWaalsContact C-N 3.32Å; S249-A251 PolarHBondContact O-N 3.33Å; A251-A254 PolarHBondContact O-N 3.26Å; A251-E255 PolarHBondContact O-N 3.28Å |
| 252 | I | 92.5 | Very high | 94.3 | Very high | 115 Ų | 115 | 90.3 Ų | 90.3 | 59% | 0.59 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66 | -44.5 | 176.5 | -69.6 | 163.4 | 0 | 0 | 0 | 110.9 | K248 S249 E250 A254 E255 D256 | K248-I252 WeakPolarHBondContact O-CD1 3.42Å; K248-I252 VanDerWaalsContact O-CG1 3.3Å; K248-I252 WeakPolarHBondContact O-CG1 3.22Å; K248-I252 PolarHBondContact O-N 3.18Å; K248-I252 VanDerWaalsContact O-N 3.16Å; S249-I252 PolarHBondContact O-N 2.99Å; E250-I252 PolarHBondContact O-N 2.9Å; I252-A254 VanDerWaalsContact C-N 3.33Å; I252-A254 PolarHBondContact O-N 3.45Å; I252-E255 PolarHBondContact O-N 3.17Å; I252-D256 PolarHBondContact O-N 3.23Å |
| 253 | V | 95.3 | Very high | 94.2 | Very high | 92 Ų | 92 | 91.6 Ų | 91.6 | 56% | 0.558 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.1 | -41.3 | 177.3 | 173.9 | 0 | 0 | 0 | 0 | 111 | S249 E250 E255 D256 D257 | S249-V253 WeakPolarHBondContact O-CG2 3.28Å; S249-V253 PolarHBondContact O-N 2.92Å; E250-V253 PolarHBondContact O-N 2.86Å; V253-E255 VanDerWaalsContact C-N 3.35Å; V253-E255 PolarHBondContact O-N 2.96Å; V253-D256 PolarHBondContact O-N 3.42Å; V253-D257 PolarHBondContact O-N 3.14Å |
| 254 | A | 95.1 | Very high | 94.3 | Very high | 59 Ų | 59 | 93 Ų | 93 | 49% | 0.488 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.7 | -33.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E250 A251 I252 E258 | E250-A254 WeakPolarHBondContact O-CB 3.18Å; E250-A254 PolarHBondContact O-N 3.05Å; A251-A254 PolarHBondContact O-N 3.26Å; I252-A254 VanDerWaalsContact C-N 3.33Å; I252-A254 PolarHBondContact O-N 3.45Å; A254-E258 PolarHBondContact O-N 2.93Å |
| 255 | E | 91.7 | Very high | 94.4 | Very high | 123 Ų | 123 | 95 Ų | 95 | 58% | 0.575 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.5 | -41.8 | 173.8 | -174.9 | 172.4 | -167.2 | 0 | 0 | 111.6 | A251 I252 V253 E258 E259 | A251-E255 PolarHBondContact O-N 3.28Å; I252-E255 PolarHBondContact O-N 3.17Å; V253-E255 VanDerWaalsContact C-N 3.35Å; V253-E255 PolarHBondContact O-N 2.96Å; E255-E258 PolarHBondContact O-N 3.36Å; E255-E259 PolarHBondContact O-N 3.12Å |
| 256 | D | 94.1 | Very high | 94.3 | Very high | 110 Ų | 110 | 93.2 Ų | 93.2 | 59% | 0.588 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.4 | -39.7 | 178.1 | -161.6 | 47.9 | 0 | 0 | 0 | 111.8 | I252 V253 E258 E259 G260 | I252-D256 PolarHBondContact O-N 3.23Å; V253-D256 PolarHBondContact O-N 3.42Å; D256-E258 VanDerWaalsContact C-N 3.31Å; D256-E258 PolarHBondContact O-N 2.87Å; D256-E259 PolarHBondContact O-N 3.3Å; D256-G260 PolarHBondContact O-N 2.83Å |
| 257 | D | 95.8 | Very high | 94.3 | Very high | 96 Ų | 96 | 93.6 Ų | 93.6 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.9 | -35.2 | 171.8 | -91.9 | -19.8 | 0 | 0 | 0 | 112.8 | V253 R261 | V253-D257 PolarHBondContact O-N 3.14Å; D257-R261 VanDerWaalsContact O-CG 3.32Å; D257-R261 WeakPolarHBondContact O-CG 3.41Å; D257-R261 PolarHBondContact O-N 2.86Å |
| 258 | E | 92.6 | Very high | 94.4 | Very high | 120 Ų | 120 | 94.9 Ų | 94.9 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -73.3 | -43.6 | 173.4 | -168.2 | -179.2 | 163.8 | 0 | 0 | 111.5 | A254 E255 D256 G260 R261 L262 | A254-E258 PolarHBondContact O-N 2.93Å; E255-E258 PolarHBondContact O-N 3.36Å; D256-E258 VanDerWaalsContact C-N 3.31Å; D256-E258 PolarHBondContact O-N 2.87Å; E258-G260 VanDerWaalsContact C-N 3.33Å; E258-G260 PolarHBondContact O-N 3.16Å; E258-R261 PolarHBondContact O-N 3.02Å; E258-R261 VanDerWaalsContact O-N 3.12Å; E258-L262 HydrophobicContact CG-CD1 4.13Å; E258-L262 WeakPolarHBondContact O-CG 3.39Å; E258-L262 PolarHBondContact O-N 3.32Å |
| 259 | E | 88.5 | Confident | 94.5 | Very high | 66 Ų | 66 | 92.7 Ų | 92.7 | 31% | 0.308 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -56.7 | -46.5 | 175.1 | -174.9 | 155 | -129.5 | 0 | 0 | 110.1 | N27 K31 E255 D256 R261 L262 E263 | N27-E259 PolarHBondContact ND2-OE1 3.42Å; K31-E259 IonicContact NZ-OE1 3.32Å; K31-E259 PolarHBondContact NZ-OE1 2.98Å; K31-E259 IonicContact NZ-OE2 3.03Å; K31-E259 PolarHBondContact NZ-OE2 3.05Å; E255-E259 PolarHBondContact O-N 3.12Å; D256-E259 PolarHBondContact O-N 3.3Å; E259-R261 PolarHBondContact O-N 2.93Å; E259-L262 PolarHBondContact O-N 3.32Å; E259-E263 PolarHBondContact O-N 3.04Å |
| 260 | G | 93.4 | Very high | 94.5 | Very high | 27 Ų | 27 | 93.6 Ų | 93.6 | 28% | 0.278 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.7 | -30.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D256 E258 R264 | D256-G260 PolarHBondContact O-N 2.83Å; E258-G260 VanDerWaalsContact C-N 3.33Å; E258-G260 PolarHBondContact O-N 3.16Å; G260-R264 WeakPolarHBondContact O-CG 3.17Å; G260-R264 PolarHBondContact O-NH1 3Å |
| 261 | R | 95.2 | Very high | 94.6 | Very high | 164 Ų | 164 | 93.9 Ų | 93.9 | 62% | 0.619 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -70.4 | -40.6 | 171.7 | -75.4 | 171.9 | -170.5 | 168.6 | 8 | 111.8 | D257 E258 E259 Q265 | D257-R261 VanDerWaalsContact O-CG 3.32Å; D257-R261 WeakPolarHBondContact O-CG 3.41Å; D257-R261 PolarHBondContact O-N 2.86Å; E258-R261 PolarHBondContact O-N 3.02Å; E258-R261 VanDerWaalsContact O-N 3.12Å; E259-R261 PolarHBondContact O-N 2.93Å; R261-Q265 PolarHBondContact O-N 3.31Å |
| 262 | L | 94.3 | Very high | 94.6 | Very high | 48 Ų | 48 | 95.2 Ų | 95.2 | 25% | 0.251 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 177.8 | -69.7 | 165 | 0 | 0 | 0 | 111.6 | E258 E259 R264 Q265 I266 | E258-L262 HydrophobicContact CG-CD1 4.13Å; E258-L262 WeakPolarHBondContact O-CG 3.39Å; E258-L262 PolarHBondContact O-N 3.32Å; E259-L262 PolarHBondContact O-N 3.32Å; L262-R264 PolarHBondContact O-N 3.16Å; L262-Q265 WeakPolarHBondContact O-CB 3.24Å; L262-Q265 PolarHBondContact O-N 3.02Å; L262-Q265 VanDerWaalsContact O-N 3.14Å; L262-I266 VanDerWaalsContact O-CG1 3.28Å; L262-I266 WeakPolarHBondContact O-CG1 3.49Å; L262-I266 PolarHBondContact O-N 3.39Å |
| 263 | E | 94.7 | Very high | 94.8 | Very high | 106 Ų | 106 | 90.4 Ų | 90.4 | 50% | 0.495 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 178.4 | -157 | 71 | 177.7 | 0 | 0 | 111.7 | E259 Q265 I266 D267 | E259-E263 PolarHBondContact O-N 3.04Å; E263-Q265 VanDerWaalsContact C-N 3.29Å; E263-Q265 PolarHBondContact O-N 3.33Å; E263-I266 WeakPolarHBondContact O-CA 3.5Å; E263-I266 VanDerWaalsContact O-CB 3.29Å; E263-I266 WeakPolarHBondContact O-CB 3.37Å; E263-I266 PolarHBondContact O-N 3.17Å; E263-D267 PolarHBondContact O-N 3.37Å |
| 264 | R | 96.4 | Very high | 94.8 | Very high | 166 Ų | 166 | 91.3 Ų | 91.3 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62 | -35.3 | 175.2 | -61.3 | -180 | -158.9 | 95.4 | -6.4 | 113 | G260 L262 I266 E268 | G260-R264 WeakPolarHBondContact O-CG 3.17Å; G260-R264 PolarHBondContact O-NH1 3Å; L262-R264 PolarHBondContact O-N 3.16Å; R264-I266 VanDerWaalsContact C-N 3.31Å; R264-E268 PolarHBondContact O-N 3.18Å; R264-E268 VanDerWaalsContact O-N 3.17Å |
| 265 | Q | 96.3 | Very high | 94.9 | Very high | 112 Ų | 112 | 91.8 Ų | 91.8 | 52% | 0.523 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70 | -30.6 | 174 | -70.6 | -178.1 | -22 | 0 | 0 | 112.2 | R261 L262 E263 I269 | R261-Q265 PolarHBondContact O-N 3.31Å; L262-Q265 WeakPolarHBondContact O-CB 3.24Å; L262-Q265 PolarHBondContact O-N 3.02Å; L262-Q265 VanDerWaalsContact O-N 3.14Å; E263-Q265 VanDerWaalsContact C-N 3.29Å; E263-Q265 PolarHBondContact O-N 3.33Å; Q265-I269 WeakPolarHBondContact O-CB 3.35Å; Q265-I269 WeakPolarHBondContact O-CD1 3.04Å; Q265-I269 WeakPolarHBondContact O-CG1 3.4Å; Q265-I269 PolarHBondContact O-N 2.88Å |
| 266 | I | 93.3 | Very high | 95.1 | Very high | 34 Ų | 34 | 93.2 Ų | 93.2 | 17% | 0.174 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.9 | -47.6 | 175.7 | -73.4 | 168.7 | 0 | 0 | 0 | 110 | M20 L262 E263 R264 E268 I269 D270 | M20-I266 HydrophobicContact CE-CB 3.89Å; M20-I266 HydrophobicContact CE-CD1 3.84Å; M20-I266 HydrophobicContact CE-CG1 3.47Å; M20-I266 VanDerWaalsContact CE-CG1 3.47Å; M20-I266 HydrophobicContact CE-CG2 3.35Å; M20-I266 HydrophobicContact SD-CD1 4.29Å; M20-I266 HydrophobicContact SD-CG1 4.06Å; L262-I266 VanDerWaalsContact O-CG1 3.28Å; L262-I266 WeakPolarHBondContact O-CG1 3.49Å; L262-I266 PolarHBondContact O-N 3.39Å; E263-I266 WeakPolarHBondContact O-CA 3.5Å; E263-I266 VanDerWaalsContact O-CB 3.29Å; E263-I266 WeakPolarHBondContact O-CB 3.37Å; E263-I266 PolarHBondContact O-N 3.17Å; R264-I266 VanDerWaalsContact C-N 3.31Å; I266-E268 PolarHBondContact O-N 3.22Å; I266-I269 WeakPolarHBondContact O-CB 3.45Å; I266-I269 PolarHBondContact O-N 3.38Å; I266-D270 PolarHBondContact O-N 2.98Å |
| 267 | D | 95.7 | Very high | 95.1 | Very high | 91 Ų | 91 | 91.4 Ų | 91.4 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.3 | -48.9 | 176.1 | -66.6 | -31.7 | 0 | 0 | 0 | 111.3 | E263 I269 D270 E271 | E263-D267 PolarHBondContact O-N 3.37Å; D267-I269 VanDerWaalsContact C-N 3.32Å; D267-I269 PolarHBondContact O-N 3.44Å; D267-D270 PolarHBondContact O-N 2.81Å; D267-D270 VanDerWaalsContact O-N 3.14Å; D267-E271 PolarHBondContact O-N 2.91Å |
| 268 | E | 97.1 | Very high | 95.1 | Very high | 115 Ų | 115 | 94.3 Ų | 94.3 | 54% | 0.537 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.3 | -38.4 | 177.3 | -174.9 | 178.4 | -170.9 | 0 | 0 | 112.3 | R264 I266 Q272 | R264-E268 PolarHBondContact O-N 3.18Å; R264-E268 VanDerWaalsContact O-N 3.17Å; I266-E268 PolarHBondContact O-N 3.22Å; E268-Q272 WeakPolarHBondContact O-CB 3.28Å; E268-Q272 VanDerWaalsContact O-CG 3.28Å; E268-Q272 WeakPolarHBondContact O-CG 3.46Å; E268-Q272 PolarHBondContact O-N 2.88Å |
| 269 | I | 96.9 | Very high | 95.3 | Very high | 57 Ų | 57 | 91.6 Ų | 91.6 | 29% | 0.292 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 175 | -77.4 | 167.5 | 0 | 0 | 0 | 111.2 | L16 Q265 I266 D267 Q272 I273 | L16-I269 HydrophobicContact CD2-CG2 3.9Å; Q265-I269 WeakPolarHBondContact O-CB 3.35Å; Q265-I269 WeakPolarHBondContact O-CD1 3.04Å; Q265-I269 WeakPolarHBondContact O-CG1 3.4Å; Q265-I269 PolarHBondContact O-N 2.88Å; I266-I269 WeakPolarHBondContact O-CB 3.45Å; I266-I269 PolarHBondContact O-N 3.38Å; D267-I269 VanDerWaalsContact C-N 3.32Å; D267-I269 PolarHBondContact O-N 3.44Å; I269-Q272 PolarHBondContact O-N 3.23Å; I269-I273 HydrophobicContact CG2-CD1 3.74Å; I269-I273 HydrophobicContact CG2-CG1 4.44Å; I269-I273 WeakPolarHBondContact O-CB 3.5Å; I269-I273 VanDerWaalsContact O-CG1 3.22Å; I269-I273 WeakPolarHBondContact O-CG1 3.29Å; I269-I273 PolarHBondContact O-N 3.47Å |
| 270 | D | 94.7 | Very high | 95.6 | Very high | 75 Ų | 75 | 93.7 Ų | 93.7 | 40% | 0.401 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.6 | -39.4 | 179.1 | -88 | -26.6 | 0 | 0 | 0 | 111.6 | I266 D267 Q272 I273 E274 | I266-D270 PolarHBondContact O-N 2.98Å; D267-D270 PolarHBondContact O-N 2.81Å; D267-D270 VanDerWaalsContact O-N 3.14Å; D270-Q272 PolarHBondContact O-N 3.43Å; D270-I273 WeakPolarHBondContact O-CB 3.4Å; D270-I273 PolarHBondContact O-N 2.93Å; D270-E274 WeakPolarHBondContact O-CG 3.22Å; D270-E274 PolarHBondContact O-N 3.39Å |
| 271 | E | 96.9 | Very high | 95.7 | Very high | 136 Ų | 136 | 97.6 Ų | 97.6 | 64% | 0.636 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -58.3 | -46.6 | 169.8 | -73 | -172.4 | -178.2 | 0 | 0 | 112.2 | D267 I273 E274 C275 | D267-E271 PolarHBondContact O-N 2.91Å; E271-I273 VanDerWaalsContact C-N 3.33Å; E271-I273 PolarHBondContact O-N 3.14Å; E271-E274 PolarHBondContact O-N 3.19Å; E271-C275 PolarHBondContact O-N 2.87Å; E271-C275 PolarHBondContact O-SG 2.91Å |
| 272 | Q | 96.8 | Very high | 95.7 | Very high | 88 Ų | 88 | 94.7 Ų | 94.7 | 41% | 0.411 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 174.7 | -74.3 | 179.8 | 22.9 | 0 | 0 | 111.3 | E268 I269 D270 E274 C275 Y276 | E268-Q272 WeakPolarHBondContact O-CB 3.28Å; E268-Q272 VanDerWaalsContact O-CG 3.28Å; E268-Q272 WeakPolarHBondContact O-CG 3.46Å; E268-Q272 PolarHBondContact O-N 2.88Å; I269-Q272 PolarHBondContact O-N 3.23Å; D270-Q272 PolarHBondContact O-N 3.43Å; Q272-E274 VanDerWaalsContact C-N 3.32Å; Q272-E274 PolarHBondContact O-N 3.4Å; Q272-C275 PolarHBondContact O-N 2.98Å; Q272-Y276 HydrophobicContact CB-CD2 4.46Å; Q272-Y276 HydrophobicContact CB-CE2 4.29Å; Q272-Y276 WeakPolarHBondContact O-CD2 3.42Å; Q272-Y276 PolarHBondContact O-N 3.49Å |
| 273 | I | 95.1 | Very high | 95.6 | Very high | 13 Ų | 13 | 99.1 Ų | 99.1 | 7% | 0.067 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 175.5 | -77.1 | 166.3 | 0 | 0 | 0 | 111 | L16 I269 D270 E271 Y276 K277 | L16-I273 HydrophobicContact CD2-CD1 4.07Å; I269-I273 HydrophobicContact CG2-CD1 3.74Å; I269-I273 HydrophobicContact CG2-CG1 4.44Å; I269-I273 WeakPolarHBondContact O-CB 3.5Å; I269-I273 VanDerWaalsContact O-CG1 3.22Å; I269-I273 WeakPolarHBondContact O-CG1 3.29Å; I269-I273 PolarHBondContact O-N 3.47Å; D270-I273 WeakPolarHBondContact O-CB 3.4Å; D270-I273 PolarHBondContact O-N 2.93Å; E271-I273 VanDerWaalsContact C-N 3.33Å; E271-I273 PolarHBondContact O-N 3.14Å; I273-Y276 PolarHBondContact O-N 3Å; I273-K277 HydrophobicContact CG2-CD 4.42Å; I273-K277 VanDerWaalsContact O-CG 3.28Å; I273-K277 WeakPolarHBondContact O-CG 3.36Å; I273-K277 PolarHBondContact O-N 3.26Å |
| 274 | E | 95.9 | Very high | 95.6 | Very high | 112 Ų | 112 | 98.3 Ų | 98.3 | 52% | 0.523 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 175.2 | -66.6 | -154.6 | 157.3 | 0 | 0 | 113.2 | D270 E271 Q272 K277 R278 | D270-E274 WeakPolarHBondContact O-CG 3.22Å; D270-E274 PolarHBondContact O-N 3.39Å; E271-E274 PolarHBondContact O-N 3.19Å; Q272-E274 VanDerWaalsContact C-N 3.32Å; Q272-E274 PolarHBondContact O-N 3.4Å; E274-K277 PolarHBondContact O-N 3.25Å; E274-R278 PolarHBondContact O-N 2.99Å |
| 275 | C | 96.5 | Very high | 95.5 | Very high | 68 Ų | 68 | 97.1 Ų | 97.1 | 46% | 0.459 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 174 | -64.7 | 0 | 0 | 0 | 0 | 111.4 | E271 Q272 R278 V279 | E271-C275 PolarHBondContact O-N 2.87Å; E271-C275 PolarHBondContact O-SG 2.91Å; Q272-C275 PolarHBondContact O-N 2.98Å; C275-R278 PolarHBondContact O-N 2.92Å; C275-V279 WeakPolarHBondContact O-CG2 3.49Å; C275-V279 PolarHBondContact O-N 3.19Å |
| 276 | Y | 96.3 | Very high | 95.3 | Very high | 153 Ų | 153 | 98 Ų | 98 | 60% | 0.6 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 175.8 | -74.3 | -58.7 | 0 | 0 | 0 | 112.7 | Q272 I273 R278 V279 E280 | Q272-Y276 HydrophobicContact CB-CD2 4.46Å; Q272-Y276 HydrophobicContact CB-CE2 4.29Å; Q272-Y276 WeakPolarHBondContact O-CD2 3.42Å; Q272-Y276 PolarHBondContact O-N 3.49Å; I273-Y276 PolarHBondContact O-N 3Å; Y276-R278 VanDerWaalsContact C-N 3.3Å; Y276-R278 PolarHBondContact O-N 3.35Å; Y276-V279 PolarHBondContact O-N 3.02Å; Y276-E280 WeakPolarHBondContact O-CB 3.28Å; Y276-E280 PolarHBondContact O-N 3.4Å |
| 277 | K | 95.3 | Very high | 95.3 | Very high | 73 Ų | 73 | 100 Ų | 100 | 32% | 0.317 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -55.6 | -44.5 | 172.4 | -70.4 | 167.9 | -165.7 | 152.2 | 0 | 111.3 | I273 E274 E280 L281 | I273-K277 HydrophobicContact CG2-CD 4.42Å; I273-K277 VanDerWaalsContact O-CG 3.28Å; I273-K277 WeakPolarHBondContact O-CG 3.36Å; I273-K277 PolarHBondContact O-N 3.26Å; E274-K277 PolarHBondContact O-N 3.25Å; K277-E280 PolarHBondContact O-N 3.41Å; K277-L281 WeakPolarHBondContact O-CG 3.42Å; K277-L281 PolarHBondContact O-N 2.89Å |
| 278 | R | 95.8 | Very high | 95.2 | Very high | 156 Ų | 156 | 99 Ų | 99 | 59% | 0.589 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.6 | -42.1 | 179.2 | -171.7 | 178.9 | -68.6 | 126.5 | 1.5 | 111.6 | E274 C275 Y276 L282 | E274-R278 PolarHBondContact O-N 2.99Å; C275-R278 PolarHBondContact O-N 2.92Å; Y276-R278 VanDerWaalsContact C-N 3.3Å; Y276-R278 PolarHBondContact O-N 3.35Å; R278-L282 WeakPolarHBondContact O-CG 3.42Å; R278-L282 PolarHBondContact O-N 3.5Å |
| 279 | V | 96.8 | Very high | 94.9 | Very high | 63 Ų | 63 | 99 Ų | 99 | 38% | 0.382 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 175.8 | 171.6 | 0 | 0 | 0 | 0 | 111.9 | C275 Y276 L282 R283 | C275-V279 WeakPolarHBondContact O-CG2 3.49Å; C275-V279 PolarHBondContact O-N 3.19Å; Y276-V279 PolarHBondContact O-N 3.02Å; V279-L282 PolarHBondContact O-N 2.73Å; V279-R283 WeakPolarHBondContact O-CG 3.31Å; V279-R283 PolarHBondContact O-N 3.07Å |
| 280 | E | 94.6 | Very high | 94.6 | Very high | 111 Ų | 111 | 103.6 Ų | 103.6 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -49.9 | 176.6 | -170.4 | 162.7 | -125.3 | 0 | 0 | 111.1 | Y276 K277 L282 R283 D284 | Y276-E280 WeakPolarHBondContact O-CB 3.28Å; Y276-E280 PolarHBondContact O-N 3.4Å; K277-E280 PolarHBondContact O-N 3.41Å; E280-L282 VanDerWaalsContact C-N 3.26Å; E280-L282 PolarHBondContact O-N 3.24Å; E280-R283 WeakPolarHBondContact O-CA 3.45Å; E280-R283 WeakPolarHBondContact O-CB 3.42Å; E280-R283 PolarHBondContact O-N 3.48Å; E280-D284 PolarHBondContact O-N 3.47Å |
| 281 | L | 95.1 | Very high | 94.1 | Very high | 109 Ų | 109 | 104.2 Ų | 104.2 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.3 | -35.7 | 174.6 | -70.4 | 171.3 | 0 | 0 | 0 | 113.4 | K277 K285 | K277-L281 WeakPolarHBondContact O-CG 3.42Å; K277-L281 PolarHBondContact O-N 2.89Å; L281-K285 WeakPolarHBondContact O-CB 3.42Å; L281-K285 VanDerWaalsContact O-CG 3.27Å; L281-K285 WeakPolarHBondContact O-CG 3.34Å; L281-K285 PolarHBondContact O-N 2.92Å |
| 282 | L | 94.8 | Very high | 93.2 | Very high | 103 Ų | 103 | 105.7 Ų | 105.7 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.1 | -35.4 | 175.6 | -71.2 | 170.6 | 0 | 0 | 0 | 112.3 | R278 V279 E280 R286 | R278-L282 WeakPolarHBondContact O-CG 3.42Å; R278-L282 PolarHBondContact O-N 3.5Å; V279-L282 PolarHBondContact O-N 2.73Å; E280-L282 VanDerWaalsContact C-N 3.26Å; E280-L282 PolarHBondContact O-N 3.24Å; L282-R286 WeakPolarHBondContact O-CB 3.34Å; L282-R286 PolarHBondContact O-N 3.17Å |
| 283 | R | 92.8 | Very high | 91.8 | Very high | 140 Ų | 140 | 105.5 Ų | 105.5 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 173 | -72.1 | 172.1 | 178.9 | 179.6 | 1.7 | 111.2 | V279 E280 K285 R286 D287 | V279-R283 WeakPolarHBondContact O-CG 3.31Å; V279-R283 PolarHBondContact O-N 3.07Å; E280-R283 WeakPolarHBondContact O-CA 3.45Å; E280-R283 WeakPolarHBondContact O-CB 3.42Å; E280-R283 PolarHBondContact O-N 3.48Å; R283-K285 PolarHBondContact O-N 2.89Å; R283-R286 WeakPolarHBondContact O-CB 3.35Å; R283-R286 PolarHBondContact O-N 2.82Å; R283-D287 WeakPolarHBondContact O-CB 3.24Å; R283-D287 PolarHBondContact O-N 3.21Å |
| 284 | D | 94.7 | Very high | 89.9 | Confident | 90 Ų | 90 | 106.8 Ų | 106.8 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 176.9 | -69.3 | -12.9 | 0 | 0 | 0 | 111.2 | E280 R286 D287 V288 | E280-D284 PolarHBondContact O-N 3.47Å; D284-R286 PolarHBondContact O-N 3Å; D284-D287 PolarHBondContact O-N 3.22Å; D284-V288 WeakPolarHBondContact O-CB 3.45Å; D284-V288 VanDerWaalsContact O-CG2 3.31Å; D284-V288 WeakPolarHBondContact O-CG2 3.27Å; D284-V288 PolarHBondContact O-N 3.02Å |
| 285 | K | 93.5 | Very high | 87.8 | Confident | 141 Ų | 141 | 107.4 Ų | 107.4 | 61% | 0.613 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -57.4 | -48.7 | 173.8 | -77.4 | 176.4 | 178.9 | -172.2 | 0 | 111.9 | L281 R283 D287 V288 L289 | L281-K285 WeakPolarHBondContact O-CB 3.42Å; L281-K285 VanDerWaalsContact O-CG 3.27Å; L281-K285 WeakPolarHBondContact O-CG 3.34Å; L281-K285 PolarHBondContact O-N 2.92Å; R283-K285 PolarHBondContact O-N 2.89Å; K285-D287 VanDerWaalsContact C-N 3.32Å; K285-D287 PolarHBondContact O-N 3.06Å; K285-V288 PolarHBondContact O-N 3.48Å; K285-L289 WeakPolarHBondContact O-CG 3.44Å; K285-L289 PolarHBondContact O-N 3.35Å |
| 286 | R | 93.4 | Very high | 85.6 | Confident | 131 Ų | 131 | 115.7 Ų | 115.7 | 49% | 0.494 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -58.6 | -43.3 | 176.7 | 178.1 | -154.8 | 65.5 | -154.1 | -8.9 | 111.3 | L282 R283 D284 L289 K290 | L282-R286 WeakPolarHBondContact O-CB 3.34Å; L282-R286 PolarHBondContact O-N 3.17Å; R283-R286 WeakPolarHBondContact O-CB 3.35Å; R283-R286 PolarHBondContact O-N 2.82Å; D284-R286 PolarHBondContact O-N 3Å; R286-L289 CarbonylContact O-C 3.58Å; R286-L289 PolarHBondContact O-N 3.47Å; R286-K290 VanDerWaalsContact O-CB 3.24Å; R286-K290 WeakPolarHBondContact O-CB 3.21Å; R286-K290 PolarHBondContact O-N 2.89Å |
| 287 | D | 92.4 | Very high | 83.1 | Confident | 74 Ų | 74 | 117.1 Ų | 117.1 | 40% | 0.396 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -74.9 | -31.7 | -175.6 | -65.6 | -16.3 | 0 | 0 | 0 | 111.7 | R283 D284 K285 K290 S291 | R283-D287 WeakPolarHBondContact O-CB 3.24Å; R283-D287 PolarHBondContact O-N 3.21Å; D284-D287 PolarHBondContact O-N 3.22Å; K285-D287 VanDerWaalsContact C-N 3.32Å; K285-D287 PolarHBondContact O-N 3.06Å; D287-K290 PolarHBondContact O-N 3Å; D287-S291 WeakPolarHBondContact O-CB 3.43Å; D287-S291 PolarHBondContact O-N 3.33Å; D287-S291 PolarHBondContact O-OG 3.22Å |
| 288 | V | 93.8 | Very high | 80.8 | Confident | 71 Ų | 71 | 121.6 Ų | 121.6 | 43% | 0.43 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.8 | -42 | 165.7 | 170 | 0 | 0 | 0 | 0 | 111.6 | D284 K285 S291 K292 | D284-V288 WeakPolarHBondContact O-CB 3.45Å; D284-V288 VanDerWaalsContact O-CG2 3.31Å; D284-V288 WeakPolarHBondContact O-CG2 3.27Å; D284-V288 PolarHBondContact O-N 3.02Å; K285-V288 PolarHBondContact O-N 3.48Å; V288-S291 WeakPolarHBondContact CA-OG 3.32Å; V288-S291 PolarHBondContact O-OG 2.92Å; V288-S291 VanDerWaalsContact O-OG 3.07Å; V288-K292 HydrophobicContact CG1-CD 4.13Å; V288-K292 WeakPolarHBondContact O-CB 3.42Å; V288-K292 WeakPolarHBondContact O-CD 3.33Å; V288-K292 WeakPolarHBondContact O-CG 3.46Å; V288-K292 PolarHBondContact O-N 3.43Å; V288-K292 VanDerWaalsContact O-N 3.12Å |
| 289 | L | 90.6 | Very high | 78.2 | Confident | 116 Ų | 116 | 123.2 Ų | 123.2 | 61% | 0.607 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.5 | -38.1 | 175.9 | -70.6 | 169.7 | 0 | 0 | 0 | 112.2 | K285 R286 K292 S293 | K285-L289 WeakPolarHBondContact O-CG 3.44Å; K285-L289 PolarHBondContact O-N 3.35Å; R286-L289 CarbonylContact O-C 3.58Å; R286-L289 PolarHBondContact O-N 3.47Å; L289-K292 PolarHBondContact O-N 2.97Å; L289-S293 WeakPolarHBondContact O-CB 3.45Å; L289-S293 PolarHBondContact O-N 2.95Å; L289-S293 PolarHBondContact O-OG 2.95Å |
| 290 | K | 90.1 | Very high | 75.9 | Confident | 153 Ų | 153 | 129.5 Ų | 129.5 | 67% | 0.665 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.9 | -37.2 | 178.7 | -166.2 | 73.8 | 173.5 | -178.7 | 0 | 112.3 | R286 D287 S293 G294 | R286-K290 VanDerWaalsContact O-CB 3.24Å; R286-K290 WeakPolarHBondContact O-CB 3.21Å; R286-K290 PolarHBondContact O-N 2.89Å; D287-K290 PolarHBondContact O-N 3Å; K290-S293 WeakPolarHBondContact CA-OG 3.45Å; K290-S293 CarbonylContact O-C 3.56Å; K290-S293 PolarHBondContact O-N 3.38Å; K290-S293 PolarHBondContact O-OG 3.12Å; K290-G294 PolarHBondContact O-N 2.76Å |
| 291 | S | 84.3 | Confident | 73.2 | Confident | 88 Ų | 88 | 132.9 Ų | 132.9 | 62% | 0.615 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.7 | -31.7 | 174.2 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | D287 V288 | D287-S291 WeakPolarHBondContact O-CB 3.43Å; D287-S291 PolarHBondContact O-N 3.33Å; D287-S291 PolarHBondContact O-OG 3.22Å; V288-S291 WeakPolarHBondContact CA-OG 3.32Å; V288-S291 PolarHBondContact O-OG 2.92Å; V288-S291 VanDerWaalsContact O-OG 3.07Å |
| 292 | K | 79.3 | Confident | 70.4 | Confident | 167 Ų | 167 | 135.4 Ų | 135.4 | 73% | 0.726 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71.4 | -30.3 | 169.6 | -72.4 | 171 | 179.8 | -178.9 | 0 | 113.5 | V288 L289 G294 | V288-K292 HydrophobicContact CG1-CD 4.13Å; V288-K292 WeakPolarHBondContact O-CB 3.42Å; V288-K292 WeakPolarHBondContact O-CD 3.33Å; V288-K292 WeakPolarHBondContact O-CG 3.46Å; V288-K292 PolarHBondContact O-N 3.43Å; V288-K292 VanDerWaalsContact O-N 3.12Å; L289-K292 PolarHBondContact O-N 2.97Å; K292-G294 VanDerWaalsContact C-N 3.33Å |
| 293 | S | 67.6 | Low | 67.9 | Low | 84 Ų | 84 | 136.2 Ų | 136.2 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 28.8 | 174 | 54.5 | 0 | 0 | 0 | 0 | 113.6 | L289 K290 | L289-S293 WeakPolarHBondContact O-CB 3.45Å; L289-S293 PolarHBondContact O-N 2.95Å; L289-S293 PolarHBondContact O-OG 2.95Å; K290-S293 WeakPolarHBondContact CA-OG 3.45Å; K290-S293 CarbonylContact O-C 3.56Å; K290-S293 PolarHBondContact O-N 3.38Å; K290-S293 PolarHBondContact O-OG 3.12Å |
| 294 | G | 53.7 | Low | 65.1 | Low | 39 Ų | 39 | 138.9 Ų | 138.9 | 40% | 0.402 | 69% | 0.692 | S | S | . | * | trans | -54 | 156.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K290 K292 R296 | K290-G294 PolarHBondContact O-N 2.76Å; K292-G294 VanDerWaalsContact C-N 3.33Å; G294-R296 PolarHBondContact O-N 3.09Å | ||
| 295 | P | 52 | Low | 62.5 | Low | 125 Ų | 125 | 141.4 Ų | 141.4 | 81% | 0.812 | 71% | 0.706 | S | S | * | * | trans | -63 | 112.1 | -150.7 | 25.7 | -35.7 | 0 | 0 | 0 | 112.7 | K297 | P295-K297 PolarHBondContact O-N 3.06Å; P295-K297 VanDerWaalsContact O-N 3.09Å | ||
| 296 | R | 50.5 | Low | 59.6 | Low | 243 Ų | 243 | 142.3 Ų | 142.3 | 92% | 0.917 | 72% | 0.717 | S | S | * | * | trans | -59.2 | 109.7 | 148.1 | -77.7 | -174.7 | 170.7 | -177.6 | -3.6 | 105.9 | G294 | G294-R296 PolarHBondContact O-N 3.09Š| ||
| 297 | K | 44.1 | Very low | 57.1 | Low | 183 Ų | 183 | 141.3 Ų | 141.3 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | trans | -59.7 | 149.1 | 166.9 | -73.1 | 178.1 | 174 | 179.1 | 0 | 108.5 | P295 E299 | P295-K297 PolarHBondContact O-N 3.06Å; P295-K297 VanDerWaalsContact O-N 3.09Å; K297-E299 PolarHBondContact O-N 2.72Å | ||
| 298 | D | 46.8 | Very low | 54.5 | Low | 167 Ų | 167 | 145.8 Ų | 145.8 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | trans | -60.5 | 99.3 | 171.7 | -46.6 | -83 | 0 | 0 | 0 | 109.9 | ||||
| 299 | E | 42.5 | Very low | 52.3 | Low | 189 Ų | 189 | 151.1 Ų | 151.1 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -129.8 | 103.4 | 158.2 | -71.1 | -162.9 | 148.7 | 0 | 0 | 108 | K297 | K297-E299 PolarHBondContact O-N 2.72Š| ||
| 300 | E | 47 | Very low | 49.9 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | trans | -69.8 | 114.9 | 172.1 | 173.2 | -178.7 | -157 | 0 | 0 | 109.3 | ||||
| 301 | M | 37.6 | Very low | 48 | Very low | 183 Ų | 183 | 154.8 Ų | 154.8 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | trans | -151.4 | 143.1 | 152.3 | -154.4 | 163.6 | -168.9 | 0 | 0 | 112.7 | ||||
| 302 | E | 37.7 | Very low | 46.2 | Very low | 162 Ų | 162 | 160.4 Ų | 160.4 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | trans | -71.6 | 161.4 | -159.6 | -53.5 | -174.8 | 125.4 | 0 | 0 | 116.6 | ||||
| 303 | T | 41.5 | Very low | 44.7 | Very low | 120 Ų | 120 | 154.4 Ų | 154.4 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | 33 | 125 | 145.2 | 58.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 304 | E | 34.1 | Very low | 43.8 | Very low | 195 Ų | 195 | 158.1 Ų | 158.1 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | -161.4 | 155.2 | 97.6 | -104.3 | 167.6 | -159.6 | 0 | 0 | 111.4 | |||||
| 305 | N | 40.7 | Very low | 43.8 | Very low | 143 Ų | 143 | 164.7 Ų | 164.7 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | -86.1 | 123.5 | -174.9 | 163.9 | 106.8 | 0 | 0 | 0 | 110.3 | ||||
| 306 | D | 32.6 | Very low | 43.9 | Very low | 161 Ų | 161 | 165.7 Ų | 165.7 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -135.4 | 140.5 | 152.8 | -136.1 | -53.8 | 0 | 0 | 0 | 109 | ||||
| 307 | N | 41.1 | Very low | 44.3 | Very low | 109 Ų | 109 | 160.9 Ų | 160.9 | 58% | 0.583 | 80% | 0.8 | S | S | * | * | trans | -122.8 | 135.4 | -163.4 | 161.2 | 77.1 | 0 | 0 | 0 | 108.5 | ||||
| 308 | E | 37.9 | Very low | 45 | Very low | 168 Ų | 168 | 159.6 Ų | 159.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 174.8 | 110.6 | 144.9 | -96.9 | 151.4 | -148 | 0 | 0 | 111.8 | ||||
| 309 | E | 46.7 | Very low | 45.7 | Very low | 183 Ų | 183 | 153.6 Ų | 153.6 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | 49.8 | 94.4 | 139.7 | -58.8 | 178.4 | 177.3 | 0 | 0 | 120 | ||||
| 310 | D | 40.1 | Very low | 46.6 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | trans | -144.2 | 56.9 | 148.5 | -156.9 | 3.8 | 0 | 0 | 0 | 109.7 | ||||
| 311 | E | 50.8 | Low | 47.3 | Very low | 182 Ų | 182 | 146.4 Ų | 146.4 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | -110.8 | 45.3 | -169.7 | -161 | 176.6 | -154.1 | 0 | 0 | 112.5 | ||||
| 312 | E | 47 | Very low | 48.7 | Very low | 205 Ų | 205 | 139.7 Ų | 139.7 | 96% | 0.958 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -131.3 | 23.8 | 171.9 | -73.3 | -161 | 163.9 | 0 | 0 | 113.4 | ||
| 313 | G | 45.8 | Very low | 50 | Low | 42 Ų | 42 | 138.2 Ų | 138.2 | 43% | 0.433 | 72% | 0.721 | S | S | . | * | S | Bend | trans | -120.1 | -45.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 314 | E | 50.1 | Low | 50.9 | Low | 161 Ų | 161 | 139.2 Ų | 139.2 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -89.3 | -24 | -158.2 | -58.5 | -162.7 | 156.2 | 0 | 0 | 115.8 | D316 E317 E318 | E314-D316 VanDerWaalsContact C-N 3.34Å; E314-D316 PolarHBondContact O-N 3.47Å; E314-E317 PolarHBondContact O-N 2.9Å; E314-E318 PolarHBondContact O-N 2.98Å |
| 315 | E | 52.7 | Low | 52.5 | Low | 177 Ų | 177 | 134.4 Ų | 134.4 | 83% | 0.827 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -60.7 | -39.5 | -176.8 | -69.9 | -160.8 | 138.9 | 0 | 0 | 113.2 | E317 G319 | E315-E317 VanDerWaalsContact C-N 3.34Å; E315-G319 PolarHBondContact O-N 3.19Å |
| 316 | D | 54.2 | Low | 54 | Low | 147 Ų | 147 | 137.4 Ų | 137.4 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -74.8 | -27.4 | -177.7 | -141 | 28.5 | 0 | 0 | 0 | 111.2 | E314 L320 | E314-D316 VanDerWaalsContact C-N 3.34Å; E314-D316 PolarHBondContact O-N 3.47Å; D316-L320 WeakPolarHBondContact O-CB 3.26Å; D316-L320 PolarHBondContact O-N 3.37Å |
| 317 | E | 59.5 | Low | 55.9 | Low | 142 Ų | 142 | 135.4 Ų | 135.4 | 66% | 0.664 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -75.4 | -45.1 | 174.7 | -59.6 | -161.5 | -147.6 | 0 | 0 | 112 | E314 E315 L320 L321 | E314-E317 PolarHBondContact O-N 2.9Å; E315-E317 VanDerWaalsContact C-N 3.34Å; E317-L320 PolarHBondContact O-N 3.45Å; E317-L321 WeakPolarHBondContact O-CB 3.47Å; E317-L321 PolarHBondContact O-N 3.35Å |
| 318 | E | 59.1 | Low | 56.9 | Low | 155 Ų | 155 | 139.1 Ų | 139.1 | 72% | 0.724 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -70.7 | -36.7 | -178.4 | -158.1 | 172.9 | -133 | 0 | 0 | 111.4 | E314 L321 G322 | E314-E318 PolarHBondContact O-N 2.98Å; E318-L321 PolarHBondContact O-N 3.36Å; E318-G322 PolarHBondContact O-N 2.73Å |
| 319 | G | 61.8 | Low | 58.1 | Low | 42 Ų | 42 | 140.1 Ų | 140.1 | 43% | 0.433 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -60.2 | -42.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E315 G322 L323 | E315-G319 PolarHBondContact O-N 3.19Å; G319-G322 PolarHBondContact O-N 2.98Å; G319-L323 PolarHBondContact O-N 3.21Å |
| 320 | L | 60.3 | Low | 59.1 | Low | 110 Ų | 110 | 135.1 Ų | 135.1 | 58% | 0.576 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -67.1 | -41.8 | 176.5 | -162 | 77.4 | 0 | 0 | 0 | 111.7 | D316 E317 G322 L323 L324 | D316-L320 WeakPolarHBondContact O-CB 3.26Å; D316-L320 PolarHBondContact O-N 3.37Å; E317-L320 PolarHBondContact O-N 3.45Å; L320-G322 VanDerWaalsContact C-N 3.34Å; L320-G322 PolarHBondContact O-N 3.01Å; L320-L323 WeakPolarHBondContact O-CB 3.28Å; L320-L323 PolarHBondContact O-N 2.91Å; L320-L324 HydrophobicContact CG-CD1 4.1Å; L320-L324 VanDerWaalsContact O-CD1 3.24Å; L320-L324 WeakPolarHBondContact O-CD1 3.24Å; L320-L324 PolarHBondContact O-N 3.07Å |
| 321 | L | 61.2 | Low | 60.2 | Low | 122 Ų | 122 | 136.2 Ų | 136.2 | 64% | 0.639 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -64.7 | -38.5 | 177.1 | -152.2 | 76.5 | 0 | 0 | 0 | 111.6 | E317 E318 S325 | E317-L321 WeakPolarHBondContact O-CB 3.47Å; E317-L321 PolarHBondContact O-N 3.35Å; E318-L321 PolarHBondContact O-N 3.36Å; L321-S325 VanDerWaalsContact O-CB 3.28Å; L321-S325 WeakPolarHBondContact O-CB 3.49Å; L321-S325 PolarHBondContact O-N 3.46Å; L321-S325 PolarHBondContact O-OG 3.19Å |
| 322 | G | 68.1 | Low | 60.4 | Low | 42 Ų | 42 | 130.5 Ų | 130.5 | 43% | 0.433 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -64.8 | -35.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E318 G319 L320 R326 | E318-G322 PolarHBondContact O-N 2.73Å; G319-G322 PolarHBondContact O-N 2.98Å; L320-G322 VanDerWaalsContact C-N 3.34Å; L320-G322 PolarHBondContact O-N 3.01Å; G322-R326 PolarHBondContact O-N 3Å |
| 323 | L | 63.9 | Low | 60.6 | Low | 132 Ų | 132 | 125.6 Ų | 125.6 | 69% | 0.691 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -67.9 | -44.3 | 175 | -117.4 | 74.5 | 0 | 0 | 0 | 112.4 | G319 L320 S325 R326 | G319-L323 PolarHBondContact O-N 3.21Å; L320-L323 WeakPolarHBondContact O-CB 3.28Å; L320-L323 PolarHBondContact O-N 2.91Å; L323-S325 VanDerWaalsContact C-N 3.32Å; L323-R326 PolarHBondContact O-N 3.49Å |
| 324 | L | 60.5 | Low | 60.7 | Low | 141 Ų | 141 | 132.1 Ų | 132.1 | 74% | 0.738 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -70.3 | -27.7 | 176 | -86.8 | 93.4 | 0 | 0 | 0 | 113 | L320 R326 | L320-L324 HydrophobicContact CG-CD1 4.1Å; L320-L324 VanDerWaalsContact O-CD1 3.24Å; L320-L324 WeakPolarHBondContact O-CD1 3.24Å; L320-L324 PolarHBondContact O-N 3.07Å; L324-R326 VanDerWaalsContact C-N 3.26Å; L324-R326 PolarHBondContact O-N 3.45Å |
| 325 | S | 67.7 | Low | 60.4 | Low | 93 Ų | 93 | 132.5 Ų | 132.5 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -8.9 | 176.5 | -59.3 | 0 | 0 | 0 | 0 | 113.5 | L321 L323 D327 | L321-S325 VanDerWaalsContact O-CB 3.28Å; L321-S325 WeakPolarHBondContact O-CB 3.49Å; L321-S325 PolarHBondContact O-N 3.46Å; L321-S325 PolarHBondContact O-OG 3.19Å; L323-S325 VanDerWaalsContact C-N 3.32Å; S325-D327 PolarHBondContact O-N 2.9Å |
| 326 | R | 73.9 | Confident | 60.7 | Low | 207 Ų | 207 | 130.3 Ų | 130.3 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -82.4 | 106.9 | 174.8 | -163.3 | 95.8 | 85.5 | 166.9 | 6.8 | 109.6 | G322 L323 L324 W328 | G322-R326 PolarHBondContact O-N 3Å; L323-R326 PolarHBondContact O-N 3.49Å; L324-R326 VanDerWaalsContact C-N 3.26Å; L324-R326 PolarHBondContact O-N 3.45Å; R326-W328 PolarHBondContact O-N 2.92Å |
| 327 | D | 71.6 | Confident | 61.1 | Low | 118 Ų | 118 | 129.4 Ų | 129.4 | 63% | 0.631 | 72% | 0.719 | S | S | * | * | trans | -48 | 109.7 | 178.1 | -105.6 | -42.9 | 0 | 0 | 0 | 112.3 | S325 R329 A330 | S325-D327 PolarHBondContact O-N 2.9Å; D327-R329 PolarHBondContact O-N 3.36Å; D327-A330 HydrophobicContact CB-CB 3.84Å; D327-A330 VanDerWaalsContact O-CB 3.26Å; D327-A330 WeakPolarHBondContact O-CB 3.36Å; D327-A330 PolarHBondContact O-N 3.28Å | ||
| 328 | W | 62.8 | Low | 61.2 | Low | 188 Ų | 188 | 128.7 Ų | 128.7 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -65.7 | -21.9 | -179.2 | 66.3 | -89.4 | 0 | 0 | 0 | 112.7 | R326 A330 | R326-W328 PolarHBondContact O-N 2.92Å; W328-A330 VanDerWaalsContact C-N 3.33Å |
| 329 | R | 62.5 | Low | 61.3 | Low | 188 Ų | 188 | 127.1 Ų | 127.1 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -77 | -12 | 170.7 | -71.8 | -169.8 | 173.7 | 98 | -1.2 | 114.2 | D327 K331 | D327-R329 PolarHBondContact O-N 3.36Å; R329-K331 VanDerWaalsContact C-N 3.28Å; R329-K331 PolarHBondContact O-N 3.01Å |
| 330 | A | 68.6 | Low | 61.3 | Low | 78 Ų | 78 | 132.4 Ų | 132.4 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -81 | -4.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D327 W328 G332 | D327-A330 HydrophobicContact CB-CB 3.84Å; D327-A330 VanDerWaalsContact O-CB 3.26Å; D327-A330 WeakPolarHBondContact O-CB 3.36Å; D327-A330 PolarHBondContact O-N 3.28Å; W328-A330 VanDerWaalsContact C-N 3.33Å; A330-G332 PolarHBondContact O-N 3.27Å |
| 331 | K | 61.7 | Low | 61.3 | Low | 188 Ų | 188 | 133.9 Ų | 133.9 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -72.2 | 83 | 164.6 | -71.7 | -174.4 | 178.9 | 179.9 | 0 | 109 | R329 A333 | R329-K331 VanDerWaalsContact C-N 3.28Å; R329-K331 PolarHBondContact O-N 3.01Å; K331-A333 PolarHBondContact O-N 3.06Å |
| 332 | G | 55 | Low | 61.4 | Low | 62 Ų | 62 | 134.8 Ų | 134.8 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | trans | -53.5 | 136.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | A330 L334 | A330-G332 PolarHBondContact O-N 3.27Å; G332-L334 PolarHBondContact O-N 3.33Å | ||
| 333 | A | 52.6 | Low | 60.8 | Low | 103 Ų | 103 | 141.9 Ų | 141.9 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -59.4 | 113.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108 | K331 A335 | K331-A333 PolarHBondContact O-N 3.06Å; A333-A335 PolarHBondContact O-N 3.2Å | ||
| 334 | L | 47.5 | Very low | 60.6 | Low | 178 Ų | 178 | 142.8 Ų | 142.8 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | trans | -64.9 | 116 | 169.3 | -80.9 | 161.9 | 0 | 0 | 0 | 107.6 | G332 | G332-L334 PolarHBondContact O-N 3.33Š| ||
| 335 | A | 42.5 | Very low | 60.6 | Low | 169 Ų | 169 | 142.9 Ų | 142.9 | 100% | 1.397 | 80% | 0.797 | S | S | * | * | trans | -83.1 | 0 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | A333 | A333-A335 PolarHBondContact O-N 3.2Š|
Retrieved 335 of 335 residues in 44.2 ms
(Link to these results)