| 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 | 52.4 | Low | 72.1 | Confident | 196 Ų | 196 | 94.6 Ų | 94.6 | 97% | 0.966 | 49% | 0.486 | S | S | * | . | 0 | 146.4 | 0 | -68.5 | 175.7 | 173.3 | 0 | 0 | 109.2 | L6 | M1-L6 HydrophobicContact SD-CD1 4.05Š| |||
| 2 | S | 65.2 | Low | 72.8 | Confident | 57 Ų | 57 | 87.3 Ų | 87.3 | 40% | 0.399 | 45% | 0.448 | S | S | . | . | trans | -78.3 | 149.6 | 174.9 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | S4 S5 L6 | S2-S4 PolarHBondContact O-N 3.21Å; S2-S4 PolarHBondContact OG-N 3.22Å; S2-S5 WeakPolarHBondContact O-CB 3.42Å; S2-S5 PolarHBondContact O-N 2.95Å; S2-L6 PolarHBondContact O-N 2.86Å | ||
| 3 | T | 66.9 | Low | 73.1 | Confident | 104 Ų | 104 | 90.5 Ų | 90.5 | 64% | 0.638 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.5 | -18.8 | 175.6 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | R7 | T3-R7 VanDerWaalsContact O-CG 3.29Å; T3-R7 WeakPolarHBondContact O-CG 3.39Å; T3-R7 PolarHBondContact O-N 3.12Å |
| 4 | S | 67.6 | Low | 73.3 | Confident | 61 Ų | 61 | 91.5 Ų | 91.5 | 43% | 0.427 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64 | -51.2 | 166.9 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | S2 L6 R7 R8 | S2-S4 PolarHBondContact O-N 3.21Å; S2-S4 PolarHBondContact OG-N 3.22Å; S4-L6 PolarHBondContact O-N 3.2Å; S4-R7 PolarHBondContact O-N 3.02Å; S4-R8 PolarHBondContact O-N 2.89Å |
| 5 | S | 73.8 | Confident | 73.3 | Confident | 30 Ų | 30 | 91.2 Ų | 91.2 | 21% | 0.21 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -58.6 | -44.6 | -179.2 | -41.9 | 0 | 0 | 0 | 0 | 111.7 | S2 R8 Q9 | S2-S5 WeakPolarHBondContact O-CB 3.42Å; S2-S5 PolarHBondContact O-N 2.95Å; S5-R8 WeakPolarHBondContact O-CB 3.32Å; S5-R8 PolarHBondContact O-N 2.91Å; S5-Q9 WeakPolarHBondContact O-CG 3.36Å; S5-Q9 PolarHBondContact O-N 3.27Å |
| 6 | L | 76.5 | Confident | 73.9 | Confident | 95 Ų | 95 | 94.8 Ų | 94.8 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | -179.8 | -132.7 | 78.5 | 0 | 0 | 0 | 112.3 | M1 S2 S4 R8 Q9 V10 | M1-L6 HydrophobicContact SD-CD1 4.05Å; S2-L6 PolarHBondContact O-N 2.86Å; S4-L6 PolarHBondContact O-N 3.2Å; L6-R8 VanDerWaalsContact C-N 3.27Å; L6-R8 PolarHBondContact O-N 3.22Å; L6-Q9 PolarHBondContact O-N 2.94Å; L6-V10 WeakPolarHBondContact O-CG2 3.47Å; L6-V10 PolarHBondContact O-N 3.3Å |
| 7 | R | 78.4 | Confident | 74.5 | Confident | 188 Ų | 188 | 92.2 Ų | 92.2 | 71% | 0.709 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.1 | -36.2 | 174.7 | -68.3 | 174 | -156.7 | -117.7 | 6.7 | 111.6 | T3 S4 K11 | T3-R7 VanDerWaalsContact O-CG 3.29Å; T3-R7 WeakPolarHBondContact O-CG 3.39Å; T3-R7 PolarHBondContact O-N 3.12Å; S4-R7 PolarHBondContact O-N 3.02Å; R7-K11 WeakPolarHBondContact O-CB 3.47Å; R7-K11 PolarHBondContact O-N 2.86Å |
| 8 | R | 80.8 | Confident | 75.3 | Confident | 39 Ų | 39 | 89.1 Ų | 89.1 | 15% | 0.147 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -66.7 | -46 | 174.9 | -175.7 | 176.7 | 142.7 | -73.3 | -16.2 | 111.1 | S4 S5 L6 V10 K11 N12 I22 R25 E26 | S4-R8 PolarHBondContact O-N 2.89Å; S5-R8 WeakPolarHBondContact O-CB 3.32Å; S5-R8 PolarHBondContact O-N 2.91Å; L6-R8 VanDerWaalsContact C-N 3.27Å; L6-R8 PolarHBondContact O-N 3.22Å; R8-V10 PolarHBondContact O-N 3.46Å; R8-K11 CarbonylContact O-C 3.52Å; R8-K11 WeakPolarHBondContact O-CA 3.47Å; R8-K11 PolarHBondContact O-N 2.79Å; R8-K11 VanDerWaalsContact O-N 3.13Å; R8-N12 PolarHBondContact O-N 2.84Å; R8-N12 PolarHBondContact O-OD1 3.44Å; R8-I22 PolarHBondContact NH2-O 2.87Å; R8-R25 PolarHBondContact NE-O 3.06Å; R8-E26 IonicContact CZ-OE2 3.17Å; R8-E26 IonicContact NH1-OE2 2.65Å; R8-E26 PolarHBondContact NH1-OE2 3.47Å; R8-E26 VanDerWaalsContact NH2-CA 3.34Å; R8-E26 VanDerWaalsContact NH2-N 3.17Å; R8-E26 IonicContact NH2-OE2 2.83Å; R8-E26 PolarHBondContact NH2-OE2 3.29Å |
| 9 | Q | 75.1 | Confident | 75.9 | Confident | 74 Ų | 74 | 91 Ų | 91 | 35% | 0.346 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 175.5 | -74.9 | 170.8 | -29.7 | 0 | 0 | 112.4 | S5 L6 K11 N12 I13 | S5-Q9 WeakPolarHBondContact O-CG 3.36Å; S5-Q9 PolarHBondContact O-N 3.27Å; L6-Q9 PolarHBondContact O-N 2.94Å; Q9-K11 VanDerWaalsContact C-N 3.33Å; Q9-K11 PolarHBondContact O-N 2.69Å; Q9-N12 VanDerWaalsContact O-CB 3.3Å; Q9-N12 WeakPolarHBondContact O-CB 3.28Å; Q9-N12 PolarHBondContact O-N 3.26Å; Q9-I13 PolarHBondContact O-N 2.95Å |
| 10 | V | 79.6 | Confident | 76.6 | Confident | 89 Ų | 89 | 86.6 Ų | 86.6 | 54% | 0.539 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 173.1 | 173.5 | 0 | 0 | 0 | 0 | 111 | L6 R8 N12 I13 V14 | L6-V10 WeakPolarHBondContact O-CG2 3.47Å; L6-V10 PolarHBondContact O-N 3.3Å; R8-V10 PolarHBondContact O-N 3.46Å; V10-N12 PolarHBondContact O-N 3.33Å; V10-I13 PolarHBondContact O-N 3.04Å; V10-V14 HydrophobicContact CG1-CG2 4.37Å; V10-V14 VanDerWaalsContact O-CG2 3.31Å; V10-V14 WeakPolarHBondContact O-CG2 3.49Å; V10-V14 PolarHBondContact O-N 2.83Å |
| 11 | K | 77.3 | Confident | 77.3 | Confident | 108 Ų | 108 | 84.2 Ų | 84.2 | 47% | 0.47 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.5 | -27.2 | 174.8 | -171.1 | 166.7 | -176.2 | 171.9 | 0 | 112.7 | R7 R8 Q9 H15 | R7-K11 WeakPolarHBondContact O-CB 3.47Å; R7-K11 PolarHBondContact O-N 2.86Å; R8-K11 CarbonylContact O-C 3.52Å; R8-K11 WeakPolarHBondContact O-CA 3.47Å; R8-K11 PolarHBondContact O-N 2.79Å; R8-K11 VanDerWaalsContact O-N 3.13Å; Q9-K11 VanDerWaalsContact C-N 3.33Å; Q9-K11 PolarHBondContact O-N 2.69Å; K11-H15 VanDerWaalsContact CE-CE1 3.43Å; K11-H15 WeakPolarHBondContact CE-CE1 3.45Å; K11-H15 WeakPolarHBondContact CE-NE2 3.43Å; K11-H15 WeakPolarHBondContact O-CB 3.33Å; K11-H15 PolarHBondContact O-N 3.39Å; K11-H15 PolarHBondContact O-ND1 3.03Å |
| 12 | N | 80.4 | Confident | 79.1 | Confident | 6 Ų | 6 | 77.2 Ų | 77.2 | 3% | 0.032 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.3 | -51.5 | 175.9 | -59.5 | -12.6 | 0 | 0 | 0 | 111.2 | R8 Q9 V10 V14 H15 N16 Y17 I22 R25 | R8-N12 PolarHBondContact O-N 2.84Å; R8-N12 PolarHBondContact O-OD1 3.44Å; Q9-N12 VanDerWaalsContact O-CB 3.3Å; Q9-N12 WeakPolarHBondContact O-CB 3.28Å; Q9-N12 PolarHBondContact O-N 3.26Å; V10-N12 PolarHBondContact O-N 3.33Å; N12-V14 VanDerWaalsContact C-N 3.34Å; N12-V14 PolarHBondContact O-N 3.44Å; N12-H15 PolarHBondContact O-N 2.93Å; N12-H15 VanDerWaalsContact O-N 3.13Å; N12-N16 PolarHBondContact O-N 3.41Å; N12-N16 VanDerWaalsContact O-N 3.11Å; N12-Y17 HydrophobicContact CB-CD2 4.42Å; N12-Y17 PolarHBondContact O-N 3.17Å; N12-I22 HydrophobicContact CB-CD1 3.95Å; N12-I22 HydrophobicContact CB-CG1 3.96Å; N12-R25 PolarHBondContact OD1-NH1 3.22Å |
| 13 | I | 76.3 | Confident | 80.4 | Confident | 129 Ų | 129 | 75.6 Ų | 75.6 | 66% | 0.662 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.3 | -46.2 | 179.1 | -60.7 | 164.1 | 0 | 0 | 0 | 110 | Q9 V10 H15 N16 | Q9-I13 PolarHBondContact O-N 2.95Å; V10-I13 PolarHBondContact O-N 3.04Å; I13-H15 PolarHBondContact O-N 2.84Å; I13-N16 PolarHBondContact O-N 2.84Å; I13-N16 PolarHBondContact O-OD1 3.46Å |
| 14 | V | 75.3 | Confident | 81.7 | Confident | 105 Ų | 105 | 70.7 Ų | 70.7 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.7 | -21.6 | 179.6 | 171.7 | 0 | 0 | 0 | 0 | 113.5 | V10 N12 | V10-V14 HydrophobicContact CG1-CG2 4.37Å; V10-V14 VanDerWaalsContact O-CG2 3.31Å; V10-V14 WeakPolarHBondContact O-CG2 3.49Å; V10-V14 PolarHBondContact O-N 2.83Å; N12-V14 VanDerWaalsContact C-N 3.34Å; N12-V14 PolarHBondContact O-N 3.44Å |
| 15 | H | 74.4 | Confident | 82.8 | Confident | 87 Ų | 87 | 68.8 Ų | 68.8 | 40% | 0.403 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -106.1 | 1.5 | -179.5 | -67.9 | 46.3 | 0 | 0 | 0 | 113.1 | K11 N12 I13 Y17 | K11-H15 VanDerWaalsContact CE-CE1 3.43Å; K11-H15 WeakPolarHBondContact CE-CE1 3.45Å; K11-H15 WeakPolarHBondContact CE-NE2 3.43Å; K11-H15 WeakPolarHBondContact O-CB 3.33Å; K11-H15 PolarHBondContact O-N 3.39Å; K11-H15 PolarHBondContact O-ND1 3.03Å; N12-H15 PolarHBondContact O-N 2.93Å; N12-H15 VanDerWaalsContact O-N 3.13Å; I13-H15 PolarHBondContact O-N 2.84Å; H15-Y17 HydrophobicContact CB-CD2 3.89Å; H15-Y17 HydrophobicContact CB-CE1 4.24Å; H15-Y17 HydrophobicContact CB-CE2 3.51Å; H15-Y17 HydrophobicContact CB-CG 4.34Å; H15-Y17 AromaticContact CD2-CZ 3.96Å; H15-Y17 PolarHBondContact CD2-OH 3.49Å; H15-Y17 AromaticContact CG-CE2 3.97Å; H15-Y17 PolarHBondContact O-N 2.94Å |
| 16 | N | 83.1 | Confident | 83.7 | Confident | 148 Ų | 148 | 71.2 Ų | 71.2 | 79% | 0.791 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 38 | -176.4 | -59.4 | -44 | 0 | 0 | 0 | 114.1 | N12 I13 | N12-N16 PolarHBondContact O-N 3.41Å; N12-N16 VanDerWaalsContact O-N 3.11Å; I13-N16 PolarHBondContact O-N 2.84Å; I13-N16 PolarHBondContact O-OD1 3.46Å |
| 17 | Y | 83.6 | Confident | 84.4 | Confident | 52 Ų | 52 | 66.7 Ų | 66.7 | 20% | 0.204 | 32% | 0.323 | C | S | . | . | trans | -63.8 | 140 | 176.6 | -69.7 | -52.4 | 0 | 0 | 0 | 111.3 | N12 H15 E21 I22 R25 M59 | N12-Y17 HydrophobicContact CB-CD2 4.42Å; N12-Y17 PolarHBondContact O-N 3.17Å; H15-Y17 HydrophobicContact CB-CD2 3.89Å; H15-Y17 HydrophobicContact CB-CE1 4.24Å; H15-Y17 HydrophobicContact CB-CE2 3.51Å; H15-Y17 HydrophobicContact CB-CG 4.34Å; H15-Y17 AromaticContact CD2-CZ 3.96Å; H15-Y17 PolarHBondContact CD2-OH 3.49Å; H15-Y17 AromaticContact CG-CE2 3.97Å; H15-Y17 PolarHBondContact O-N 2.94Å; Y17-E21 VanDerWaalsContact CA-OE2 3.29Å; Y17-E21 WeakPolarHBondContact CA-OE2 3.46Å; Y17-E21 HydrophobicContact CD1-CB 4.43Å; Y17-E21 WeakPolarHBondContact CD1-OE1 3.27Å; Y17-E21 WeakPolarHBondContact CD1-OE2 3.25Å; Y17-E21 HydrophobicContact CG-CB 4.47Å; Y17-I22 WeakPolarHBondContact O-CD1 3.45Å; Y17-R25 VanDerWaalsContact CE2-NH2 3.29Å; Y17-M59 HydrophobicContact CD1-CE 4.48Å; Y17-M59 HydrophobicContact CE1-CE 4.24Å | ||
| 18 | S | 88.4 | Confident | 85.1 | Confident | 35 Ų | 35 | 57.8 Ų | 57.8 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | trans | -58.9 | 154.3 | 171.3 | 165.5 | 0 | 0 | 0 | 0 | 111.5 | A20 E21 I22 E55 | S18-A20 PolarHBondContact O-N 3.43Å; S18-A20 PolarHBondContact OG-N 3.33Å; S18-E21 PolarHBondContact N-OE2 2.95Å; S18-E21 WeakPolarHBondContact O-CB 3.41Å; S18-E21 PolarHBondContact O-N 2.98Å; S18-E21 VanDerWaalsContact O-N 3.11Å; S18-I22 WeakPolarHBondContact O-CG1 3.27Å; S18-I22 PolarHBondContact O-N 3.31Å; S18-E55 VanDerWaalsContact CB-CD 3.45Å; S18-E55 WeakPolarHBondContact CB-OE1 3.47Å; S18-E55 WeakPolarHBondContact CB-OE2 3.35Å; S18-E55 PolarHBondContact OG-OE2 3.23Å | ||
| 19 | E | 86.9 | Confident | 85.4 | Confident | 126 Ų | 126 | 56.3 Ų | 56.3 | 59% | 0.589 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -55.9 | -37.5 | 176.1 | -167 | -174.3 | 154.6 | 0 | 0 | 111.9 | I22 K23 | E19-I22 PolarHBondContact O-N 3.46Å; E19-K23 HydrophobicContact CG-CD 4.39Å; E19-K23 WeakPolarHBondContact O-CG 3.42Å; E19-K23 PolarHBondContact O-N 2.85Å; E19-K23 VanDerWaalsContact OE1-CE 3.26Å; E19-K23 WeakPolarHBondContact OE1-CE 3.4Å; E19-K23 IonicContact OE1-NZ 2.67Å; E19-K23 PolarHBondContact OE1-NZ 2.72Å |
| 20 | A | 90.3 | Very high | 86 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S18 I22 K23 V24 L46 A52 I56 | S18-A20 PolarHBondContact O-N 3.43Å; S18-A20 PolarHBondContact OG-N 3.33Å; A20-I22 VanDerWaalsContact C-N 3.32Å; A20-I22 PolarHBondContact O-N 2.87Å; A20-K23 PolarHBondContact O-N 3.16Å; A20-V24 WeakPolarHBondContact O-CG2 3.39Å; A20-V24 PolarHBondContact O-N 2.9Å; A20-L46 HydrophobicContact CB-CD1 4.3Å; A20-A52 HydrophobicContact CB-CB 3.86Å; A20-I56 HydrophobicContact CB-CD1 4.17Å; A20-I56 HydrophobicContact CB-CG1 3.95Å |
| 21 | E | 90.3 | Very high | 86.2 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 17% | 0.168 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -37.7 | 173 | -66.6 | -176 | 97.8 | 0 | 0 | 112.3 | Y17 S18 R25 E55 M59 | Y17-E21 VanDerWaalsContact CA-OE2 3.29Å; Y17-E21 WeakPolarHBondContact CA-OE2 3.46Å; Y17-E21 HydrophobicContact CD1-CB 4.43Å; Y17-E21 WeakPolarHBondContact CD1-OE1 3.27Å; Y17-E21 WeakPolarHBondContact CD1-OE2 3.25Å; Y17-E21 HydrophobicContact CG-CB 4.47Å; S18-E21 PolarHBondContact N-OE2 2.95Å; S18-E21 WeakPolarHBondContact O-CB 3.41Å; S18-E21 PolarHBondContact O-N 2.98Å; S18-E21 VanDerWaalsContact O-N 3.11Å; E21-R25 VanDerWaalsContact O-CB 3.23Å; E21-R25 WeakPolarHBondContact O-CB 3.27Å; E21-R25 WeakPolarHBondContact O-CD 3.25Å; E21-R25 WeakPolarHBondContact O-CG 3.48Å; E21-R25 PolarHBondContact O-N 2.92Å; E21-E55 HydrophobicContact CG-CB 3.92Å; E21-M59 HydrophobicContact CB-CE 4.27Å; E21-M59 HydrophobicContact CG-CE 4.13Å; E21-M59 WeakPolarHBondContact OE1-CE 3.3Å |
| 22 | I | 90.9 | Very high | 86.4 | Confident | 49 Ų | 49 | 53 Ų | 53 | 25% | 0.251 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.6 | -50.1 | 177.2 | -72.7 | 172.1 | 0 | 0 | 0 | 109.7 | R8 N12 Y17 S18 E19 A20 R25 E26 | R8-I22 PolarHBondContact NH2-O 2.87Å; N12-I22 HydrophobicContact CB-CD1 3.95Å; N12-I22 HydrophobicContact CB-CG1 3.96Å; Y17-I22 WeakPolarHBondContact O-CD1 3.45Å; S18-I22 WeakPolarHBondContact O-CG1 3.27Å; S18-I22 PolarHBondContact O-N 3.31Å; E19-I22 PolarHBondContact O-N 3.46Å; A20-I22 VanDerWaalsContact C-N 3.32Å; A20-I22 PolarHBondContact O-N 2.87Å; I22-R25 PolarHBondContact O-N 3.46Å; I22-E26 PolarHBondContact O-N 3.36Å |
| 23 | K | 92 | Very high | 86.5 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 10% | 0.104 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 177.6 | -71.9 | 169.7 | 177.4 | 177.6 | 0 | 111.7 | E19 A20 R25 E26 A27 L39 E42 I43 L46 | E19-K23 HydrophobicContact CG-CD 4.39Å; E19-K23 WeakPolarHBondContact O-CG 3.42Å; E19-K23 PolarHBondContact O-N 2.85Å; E19-K23 VanDerWaalsContact OE1-CE 3.26Å; E19-K23 WeakPolarHBondContact OE1-CE 3.4Å; E19-K23 IonicContact OE1-NZ 2.67Å; E19-K23 PolarHBondContact OE1-NZ 2.72Å; A20-K23 PolarHBondContact O-N 3.16Å; K23-R25 PolarHBondContact O-N 3.11Å; K23-E26 WeakPolarHBondContact O-CA 3.35Å; K23-E26 VanDerWaalsContact O-CB 3.26Å; K23-E26 WeakPolarHBondContact O-CB 3.38Å; K23-E26 PolarHBondContact O-N 2.89Å; K23-A27 PolarHBondContact O-N 3.1Å; K23-L39 HydrophobicContact CB-CD1 4.11Å; K23-L39 HydrophobicContact CG-CD1 4.11Å; K23-E42 HydrophobicContact CD-CG 4.22Å; K23-E42 WeakPolarHBondContact CD-OE2 3.41Å; K23-E42 WeakPolarHBondContact CE-OE1 3.35Å; K23-E42 WeakPolarHBondContact CE-OE2 3.46Å; K23-E42 IonicContact NZ-OE1 2.67Å; K23-E42 PolarHBondContact NZ-OE1 2.95Å; K23-E42 IonicContact NZ-OE2 2.77Å; K23-E42 PolarHBondContact NZ-OE2 3.36Å; K23-I43 HydrophobicContact CB-CD1 4.2Å; K23-I43 HydrophobicContact CB-CG1 3.79Å; K23-L46 HydrophobicContact CD-CD1 3.72Å |
| 24 | V | 94.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.5 | -47.3 | 174.4 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | A20 E26 A27 T28 I43 I56 M59 V60 L80 | A20-V24 WeakPolarHBondContact O-CG2 3.39Å; A20-V24 PolarHBondContact O-N 2.9Å; V24-E26 PolarHBondContact O-N 3.34Å; V24-E26 VanDerWaalsContact O-N 3.11Å; V24-A27 PolarHBondContact O-N 3.24Å; V24-T28 HydrophobicContact CG1-CG2 4.33Å; V24-T28 WeakPolarHBondContact O-CG2 3.47Å; V24-T28 PolarHBondContact O-N 3.43Å; V24-T28 PolarHBondContact O-OG1 2.89Å; V24-I43 HydrophobicContact CG2-CD1 4.31Å; V24-I43 HydrophobicContact CG2-CG1 4.47Å; V24-I43 HydrophobicContact CG2-CG2 3.8Å; V24-I56 HydrophobicContact CG2-CB 4.1Å; V24-I56 HydrophobicContact CG2-CG1 3.79Å; V24-I56 HydrophobicContact CG2-CG2 3.85Å; V24-M59 HydrophobicContact CB-CB 4.47Å; V24-M59 HydrophobicContact CB-CG 4.22Å; V24-M59 HydrophobicContact CG1-CB 3.92Å; V24-M59 HydrophobicContact CG1-CG 3.7Å; V24-V60 HydrophobicContact CG1-CG2 3.68Å; V24-L80 HydrophobicContact CG1-CD2 4.1Å; V24-L80 HydrophobicContact CG2-CD2 4.3Å |
| 25 | R | 91.9 | Very high | 87.5 | Confident | 22 Ų | 22 | 52.1 Ų | 52.1 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.9 | -10 | 178.7 | -67.5 | 168.1 | 77.9 | -96.2 | 6 | 113.2 | R8 N12 Y17 E21 I22 K23 M59 R63 | R8-R25 PolarHBondContact NE-O 3.06Å; N12-R25 PolarHBondContact OD1-NH1 3.22Å; Y17-R25 VanDerWaalsContact CE2-NH2 3.29Å; E21-R25 VanDerWaalsContact O-CB 3.23Å; E21-R25 WeakPolarHBondContact O-CB 3.27Å; E21-R25 WeakPolarHBondContact O-CD 3.25Å; E21-R25 WeakPolarHBondContact O-CG 3.48Å; E21-R25 PolarHBondContact O-N 2.92Å; I22-R25 PolarHBondContact O-N 3.46Å; K23-R25 PolarHBondContact O-N 3.11Å; R25-M59 VanDerWaalsContact CD-SD 3.53Å; R25-M59 HydrophobicContact CG-CE 4.29Å; R25-M59 HydrophobicContact CG-CG 3.59Å; R25-M59 HydrophobicContact CG-SD 3.47Å; R25-M59 WeakPolarHBondContact CG-SD 3.43Å; R25-R63 PolarHBondContact O-NH2 3.17Å |
| 26 | E | 91.1 | Very high | 88.2 | Confident | 81 Ų | 81 | 51.2 Ų | 51.2 | 38% | 0.379 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -88.1 | -48.8 | 171.4 | -160.6 | 130 | 159.7 | 0 | 0 | 110.9 | R8 I22 K23 V24 T28 S29 L39 | R8-E26 IonicContact CZ-OE2 3.17Å; R8-E26 IonicContact NH1-OE2 2.65Å; R8-E26 PolarHBondContact NH1-OE2 3.47Å; R8-E26 VanDerWaalsContact NH2-CA 3.34Å; R8-E26 VanDerWaalsContact NH2-N 3.17Å; R8-E26 IonicContact NH2-OE2 2.83Å; R8-E26 PolarHBondContact NH2-OE2 3.29Å; I22-E26 PolarHBondContact O-N 3.36Å; K23-E26 WeakPolarHBondContact O-CA 3.35Å; K23-E26 VanDerWaalsContact O-CB 3.26Å; K23-E26 WeakPolarHBondContact O-CB 3.38Å; K23-E26 PolarHBondContact O-N 2.89Å; V24-E26 PolarHBondContact O-N 3.34Å; V24-E26 VanDerWaalsContact O-N 3.11Å; E26-T28 VanDerWaalsContact C-N 3.25Å; E26-T28 PolarHBondContact O-N 3.43Å; E26-S29 VanDerWaalsContact O-CB 3.25Å; E26-S29 WeakPolarHBondContact O-CB 3.42Å; E26-S29 PolarHBondContact O-N 3.25Å; E26-L39 HydrophobicContact CB-CD2 3.93Å; E26-L39 HydrophobicContact CG-CD2 4.05Å |
| 27 | A | 92.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.7 | -40.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K23 V24 S29 P35 L39 I43 K76 L80 | K23-A27 PolarHBondContact O-N 3.1Å; V24-A27 PolarHBondContact O-N 3.24Å; A27-S29 VanDerWaalsContact C-N 3.32Å; A27-S29 PolarHBondContact O-N 2.99Å; A27-P35 HydrophobicContact CB-CB 4.02Å; A27-L39 HydrophobicContact CB-CD2 3.9Å; A27-I43 HydrophobicContact CB-CD1 3.76Å; A27-K76 WeakPolarHBondContact O-CB 3.22Å; A27-K76 WeakPolarHBondContact O-CD 3.16Å; A27-L80 HydrophobicContact CB-CD1 4.48Å; A27-L80 HydrophobicContact CB-CD2 4.02Å |
| 28 | T | 92.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 35.6 | 174.6 | 80.1 | 0 | 0 | 0 | 0 | 113.2 | V24 E26 R63 H73 A77 L80 | V24-T28 HydrophobicContact CG1-CG2 4.33Å; V24-T28 WeakPolarHBondContact O-CG2 3.47Å; V24-T28 PolarHBondContact O-N 3.43Å; V24-T28 PolarHBondContact O-OG1 2.89Å; E26-T28 VanDerWaalsContact C-N 3.25Å; E26-T28 PolarHBondContact O-N 3.43Å; T28-R63 HydrophobicContact CG2-CB 4.36Å; T28-R63 HydrophobicContact CG2-CG 4.46Å; T28-R63 PolarHBondContact O-NH2 3Å; T28-R63 PolarHBondContact OG1-NE 3.41Å; T28-R63 PolarHBondContact OG1-NH2 3.01Å; T28-H73 PolarHBondContact O-CD2 3.03Å; T28-H73 VanDerWaalsContact O-CD2 3.23Å; T28-A77 HydrophobicContact CG2-CB 4.03Å; T28-L80 HydrophobicContact CG2-CD2 4.33Å |
| 29 | S | 87.7 | Confident | 89 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | trans | -70 | 161.8 | 175.3 | 79.1 | 0 | 0 | 0 | 0 | 112.6 | E26 A27 D31 K76 | E26-S29 VanDerWaalsContact O-CB 3.25Å; E26-S29 WeakPolarHBondContact O-CB 3.42Å; E26-S29 PolarHBondContact O-N 3.25Å; A27-S29 VanDerWaalsContact C-N 3.32Å; A27-S29 PolarHBondContact O-N 2.99Å; S29-D31 WeakPolarHBondContact CB-OD2 3.36Å; S29-D31 PolarHBondContact O-N 2.96Å; S29-D31 WeakPolarHBondContact OG-CB 3.43Å; S29-D31 VanDerWaalsContact OG-CG 3.31Å; S29-D31 PolarHBondContact OG-N 3.46Å; S29-D31 PolarHBondContact OG-OD2 3.3Å; S29-K76 WeakPolarHBondContact O-CD 3.33Å; S29-K76 WeakPolarHBondContact O-CE 3.27Å; S29-K76 PolarHBondContact O-NZ 3.08Å; S29-K76 PolarHBondContact OG-NZ 2.76Å | ||
| 30 | N | 86.7 | Confident | 89.4 | Confident | 83 Ų | 83 | 44.4 Ų | 44.4 | 44% | 0.444 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -81.1 | 5.4 | 172.8 | -159.3 | 43.6 | 0 | 0 | 0 | 113.7 | R72 | N30-R72 WeakPolarHBondContact O-CD 3.35Š|
| 31 | D | 85.3 | Confident | 89.5 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -66 | 153.4 | -177.3 | -56.3 | -54.7 | 0 | 0 | 0 | 111.2 | S29 W33 K76 | S29-D31 WeakPolarHBondContact CB-OD2 3.36Å; S29-D31 PolarHBondContact O-N 2.96Å; S29-D31 WeakPolarHBondContact OG-CB 3.43Å; S29-D31 VanDerWaalsContact OG-CG 3.31Å; S29-D31 PolarHBondContact OG-N 3.46Å; S29-D31 PolarHBondContact OG-OD2 3.3Å; D31-W33 VanDerWaalsContact C-N 3.33Å; D31-W33 HydrophobicContact CB-CD2 3.89Å; D31-W33 HydrophobicContact CB-CE3 4.11Å; D31-W33 HydrophobicContact CB-CH2 3.67Å; D31-W33 HydrophobicContact CB-CZ2 3.42Å; D31-W33 VanDerWaalsContact CB-CZ2 3.42Å; D31-W33 HydrophobicContact CB-CZ3 4.01Å; D31-W33 PolarHBondContact O-N 2.67Å; D31-K76 VanDerWaalsContact O-CE 3.27Å; D31-K76 WeakPolarHBondContact O-CE 3.47Å; D31-K76 PolarHBondContact O-NZ 2.86Å |
| 32 | P | 81.3 | Confident | 89.6 | Confident | 92 Ų | 92 | 47.7 Ų | 47.7 | 60% | 0.597 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -70.2 | -23.6 | -171.9 | 24.2 | -32.7 | 0 | 0 | 0 | 114.9 | R72 | P32-R72 PolarHBondContact O-NH1 3Š|
| 33 | W | 83.3 | Confident | 89.8 | Confident | 151 Ų | 151 | 45.3 Ų | 45.3 | 57% | 0.572 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -83.6 | 156.3 | 177.4 | 57 | 89.6 | 0 | 0 | 0 | 112.9 | D31 K76 | D31-W33 VanDerWaalsContact C-N 3.33Å; D31-W33 HydrophobicContact CB-CD2 3.89Å; D31-W33 HydrophobicContact CB-CE3 4.11Å; D31-W33 HydrophobicContact CB-CH2 3.67Å; D31-W33 HydrophobicContact CB-CZ2 3.42Å; D31-W33 VanDerWaalsContact CB-CZ2 3.42Å; D31-W33 HydrophobicContact CB-CZ3 4.01Å; D31-W33 PolarHBondContact O-N 2.67Å; W33-K76 WeakPolarHBondContact O-CE 3.48Å; W33-K76 PolarHBondContact O-NZ 3.09Å |
| 34 | G | 84.2 | Confident | 89.9 | Confident | 47 Ų | 47 | 44.2 Ų | 44.2 | 49% | 0.485 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 167.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 35 | P | 87.9 | Confident | 89.9 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 143.6 | 172.4 | 27.8 | -35.5 | 0 | 0 | 0 | 111.5 | A27 M40 T79 | A27-P35 HydrophobicContact CB-CB 4.02Å; P35-M40 HydrophobicContact CB-CE 4.49Å; P35-M40 HydrophobicContact CB-CG 3.91Å; P35-M40 HydrophobicContact CB-SD 3.85Å; P35-M40 HydrophobicContact CG-CE 4.08Å; P35-M40 HydrophobicContact CG-CG 4.2Å; P35-M40 HydrophobicContact CG-SD 3.45Å; P35-M40 WeakPolarHBondContact CG-SD 3.34Å; P35-T79 HydrophobicContact CG-CG2 3.96Å |
| 36 | S | 89.3 | Confident | 90 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 137.1 | 175.1 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | S38 L39 M40 | S36-S38 VanDerWaalsContact C-N 3.34Å; S36-S38 PolarHBondContact O-N 2.88Å; S36-L39 PolarHBondContact O-N 3.47Å; S36-M40 WeakPolarHBondContact O-CG 3.24Å; S36-M40 PolarHBondContact O-N 3.5Å |
| 37 | S | 89.2 | Confident | 90.1 | Very high | 84 Ų | 84 | 45.5 Ų | 45.5 | 59% | 0.587 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -57.9 | -44 | 177.7 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | L39 M40 S41 | S37-L39 VanDerWaalsContact C-N 3.34Å; S37-L39 PolarHBondContact O-N 2.72Å; S37-M40 PolarHBondContact O-N 3.44Å; S37-S41 PolarHBondContact O-N 2.77Å; S37-S41 PolarHBondContact O-OG 3.46Å |
| 38 | S | 90.7 | Very high | 90.1 | Very high | 85 Ų | 85 | 51.1 Ų | 51.1 | 59% | 0.594 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.6 | -42.1 | 175.8 | 162.8 | 0 | 0 | 0 | 0 | 112.3 | S36 S41 E42 | S36-S38 VanDerWaalsContact C-N 3.34Å; S36-S38 PolarHBondContact O-N 2.88Å; S38-S41 WeakPolarHBondContact O-CB 3.46Å; S38-S41 PolarHBondContact O-N 3.34Å; S38-E42 WeakPolarHBondContact O-CB 3.33Å; S38-E42 PolarHBondContact O-N 3.19Å |
| 39 | L | 92.3 | Very high | 90.2 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.2 | -36.7 | 176.6 | -177.4 | 72.6 | 0 | 0 | 0 | 111.7 | K23 E26 A27 S36 S37 E42 I43 | K23-L39 HydrophobicContact CB-CD1 4.11Å; K23-L39 HydrophobicContact CG-CD1 4.11Å; E26-L39 HydrophobicContact CB-CD2 3.93Å; E26-L39 HydrophobicContact CG-CD2 4.05Å; A27-L39 HydrophobicContact CB-CD2 3.9Å; S36-L39 PolarHBondContact O-N 3.47Å; S37-L39 VanDerWaalsContact C-N 3.34Å; S37-L39 PolarHBondContact O-N 2.72Å; L39-E42 PolarHBondContact O-N 3.24Å; L39-I43 HydrophobicContact CG-CD1 4.17Å; L39-I43 WeakPolarHBondContact O-CD1 3.38Å; L39-I43 VanDerWaalsContact O-CG1 3.24Å; L39-I43 WeakPolarHBondContact O-CG1 3.42Å; L39-I43 PolarHBondContact O-N 2.95Å |
| 40 | M | 93.3 | Very high | 90.3 | Very high | 21 Ų | 21 | 58.9 Ų | 58.9 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.3 | -41.2 | 175 | -67.1 | -168.9 | -69.2 | 0 | 0 | 111.9 | P35 S36 S37 E42 I43 A44 T79 L80 Y83 | P35-M40 HydrophobicContact CB-CE 4.49Å; P35-M40 HydrophobicContact CB-CG 3.91Å; P35-M40 HydrophobicContact CB-SD 3.85Å; P35-M40 HydrophobicContact CG-CE 4.08Å; P35-M40 HydrophobicContact CG-CG 4.2Å; P35-M40 HydrophobicContact CG-SD 3.45Å; P35-M40 WeakPolarHBondContact CG-SD 3.34Å; S36-M40 WeakPolarHBondContact O-CG 3.24Å; S36-M40 PolarHBondContact O-N 3.5Å; S37-M40 PolarHBondContact O-N 3.44Å; M40-E42 VanDerWaalsContact C-N 3.34Å; M40-E42 PolarHBondContact O-N 3.49Å; M40-I43 PolarHBondContact O-N 3.18Å; M40-A44 WeakPolarHBondContact O-CB 3.48Å; M40-A44 PolarHBondContact O-N 2.85Å; M40-T79 HydrophobicContact SD-CG2 4.34Å; M40-L80 HydrophobicContact CB-CD1 4.38Å; M40-L80 HydrophobicContact CG-CD1 4.01Å; M40-Y83 VanDerWaalsContact C-CE1 3.43Å; M40-Y83 HydrophobicContact CB-CD1 3.6Å; M40-Y83 HydrophobicContact CB-CE1 3.8Å; M40-Y83 HydrophobicContact CB-CG 4.04Å; M40-Y83 WeakPolarHBondContact O-CE1 3.3Å; M40-Y83 HydrophobicContact SD-CG 4.33Å |
| 41 | S | 92.5 | Very high | 90.5 | Very high | 27 Ų | 27 | 59.6 Ų | 59.6 | 19% | 0.189 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.4 | -48.9 | 170.9 | -66.5 | 0 | 0 | 0 | 0 | 111.4 | S37 S38 I43 A44 D45 Y83 | S37-S41 PolarHBondContact O-N 2.77Å; S37-S41 PolarHBondContact O-OG 3.46Å; S38-S41 WeakPolarHBondContact O-CB 3.46Å; S38-S41 PolarHBondContact O-N 3.34Å; S41-I43 PolarHBondContact O-N 3.29Å; S41-A44 WeakPolarHBondContact O-CA 3.28Å; S41-A44 VanDerWaalsContact O-CB 3.32Å; S41-A44 WeakPolarHBondContact O-CB 3.36Å; S41-A44 PolarHBondContact O-N 3.19Å; S41-A44 VanDerWaalsContact O-N 3.09Å; S41-D45 PolarHBondContact O-N 3.18Å; S41-Y83 PolarHBondContact OG-OH 3.07Å; S41-Y83 VanDerWaalsContact OG-OH 3.07Å |
| 42 | E | 93.7 | Very high | 90.8 | Very high | 80 Ų | 80 | 58.6 Ų | 58.6 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | -178.1 | -169.5 | -177.8 | -147.1 | 0 | 0 | 112.6 | K23 S38 L39 M40 D45 L46 | K23-E42 HydrophobicContact CD-CG 4.22Å; K23-E42 WeakPolarHBondContact CD-OE2 3.41Å; K23-E42 WeakPolarHBondContact CE-OE1 3.35Å; K23-E42 WeakPolarHBondContact CE-OE2 3.46Å; K23-E42 IonicContact NZ-OE1 2.67Å; K23-E42 PolarHBondContact NZ-OE1 2.95Å; K23-E42 IonicContact NZ-OE2 2.77Å; K23-E42 PolarHBondContact NZ-OE2 3.36Å; S38-E42 WeakPolarHBondContact O-CB 3.33Å; S38-E42 PolarHBondContact O-N 3.19Å; L39-E42 PolarHBondContact O-N 3.24Å; M40-E42 VanDerWaalsContact C-N 3.34Å; M40-E42 PolarHBondContact O-N 3.49Å; E42-D45 PolarHBondContact O-N 3.29Å; E42-L46 WeakPolarHBondContact O-CG 3.3Å; E42-L46 PolarHBondContact O-N 2.93Å |
| 43 | I | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 172.1 | -61 | 160.5 | 0 | 0 | 0 | 110.3 | K23 V24 A27 L39 M40 S41 D45 L46 T47 I56 L80 L84 | K23-I43 HydrophobicContact CB-CD1 4.2Å; K23-I43 HydrophobicContact CB-CG1 3.79Å; V24-I43 HydrophobicContact CG2-CD1 4.31Å; V24-I43 HydrophobicContact CG2-CG1 4.47Å; V24-I43 HydrophobicContact CG2-CG2 3.8Å; A27-I43 HydrophobicContact CB-CD1 3.76Å; L39-I43 HydrophobicContact CG-CD1 4.17Å; L39-I43 WeakPolarHBondContact O-CD1 3.38Å; L39-I43 VanDerWaalsContact O-CG1 3.24Å; L39-I43 WeakPolarHBondContact O-CG1 3.42Å; L39-I43 PolarHBondContact O-N 2.95Å; M40-I43 PolarHBondContact O-N 3.18Å; S41-I43 PolarHBondContact O-N 3.29Å; I43-D45 VanDerWaalsContact C-N 3.34Å; I43-D45 PolarHBondContact O-N 3.44Å; I43-L46 PolarHBondContact O-N 2.97Å; I43-T47 WeakPolarHBondContact O-CG2 3.49Å; I43-T47 PolarHBondContact O-N 3.05Å; I43-I56 HydrophobicContact CG2-CD1 4Å; I43-I56 HydrophobicContact CG2-CG1 4.24Å; I43-I56 HydrophobicContact CG2-CG2 4.01Å; I43-L80 HydrophobicContact CB-CD1 4.32Å; I43-L80 HydrophobicContact CD1-CD1 3.91Å; I43-L80 HydrophobicContact CD1-CD2 4.13Å; I43-L80 HydrophobicContact CG2-CD1 4.24Å; I43-L84 HydrophobicContact CB-CD2 4.4Å; I43-L84 HydrophobicContact CG2-CD1 4.22Å; I43-L84 HydrophobicContact CG2-CD2 3.95Å |
| 44 | A | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M40 S41 L46 T47 Y48 Y83 L84 | M40-A44 WeakPolarHBondContact O-CB 3.48Å; M40-A44 PolarHBondContact O-N 2.85Å; S41-A44 WeakPolarHBondContact O-CA 3.28Å; S41-A44 VanDerWaalsContact O-CB 3.32Å; S41-A44 WeakPolarHBondContact O-CB 3.36Å; S41-A44 PolarHBondContact O-N 3.19Å; S41-A44 VanDerWaalsContact O-N 3.09Å; A44-L46 VanDerWaalsContact C-N 3.34Å; A44-L46 PolarHBondContact O-N 3.43Å; A44-T47 PolarHBondContact O-N 3.41Å; A44-T47 VanDerWaalsContact O-N 3.14Å; A44-T47 PolarHBondContact O-OG1 3.35Å; A44-Y48 WeakPolarHBondContact O-CD2 3.37Å; A44-Y83 HydrophobicContact CB-CD1 4.35Å; A44-Y83 HydrophobicContact CB-CE1 3.95Å; A44-L84 HydrophobicContact CB-CD2 3.75Å |
| 45 | D | 93.4 | Very high | 92.2 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.7 | -33.8 | 177.6 | -62.1 | -40.2 | 0 | 0 | 0 | 111.7 | S41 E42 I43 T47 Y48 K151 | S41-D45 PolarHBondContact O-N 3.18Å; E42-D45 PolarHBondContact O-N 3.29Å; I43-D45 VanDerWaalsContact C-N 3.34Å; I43-D45 PolarHBondContact O-N 3.44Å; D45-T47 VanDerWaalsContact C-N 3.31Å; D45-T47 PolarHBondContact O-N 3Å; D45-Y48 PolarHBondContact O-N 3.36Å; D45-K151 IonicContact OD1-NZ 3.79Å; D45-K151 PolarHBondContact OD1-NZ 3.11Å; D45-K151 IonicContact OD2-NZ 3.03Å; D45-K151 PolarHBondContact OD2-NZ 3.36Å |
| 46 | L | 94.1 | Very high | 92.6 | Very high | 44 Ų | 44 | 50.7 Ų | 50.7 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66 | -25.7 | 170.6 | -73.4 | 170.9 | 0 | 0 | 0 | 114 | A20 K23 E42 I43 A44 Y48 N49 I56 | A20-L46 HydrophobicContact CB-CD1 4.3Å; K23-L46 HydrophobicContact CD-CD1 3.72Å; E42-L46 WeakPolarHBondContact O-CG 3.3Å; E42-L46 PolarHBondContact O-N 2.93Å; I43-L46 PolarHBondContact O-N 2.97Å; A44-L46 VanDerWaalsContact C-N 3.34Å; A44-L46 PolarHBondContact O-N 3.43Å; L46-Y48 PolarHBondContact O-N 2.82Å; L46-N49 WeakPolarHBondContact O-CB 3.47Å; L46-N49 PolarHBondContact O-N 3.4Å; L46-I56 HydrophobicContact CB-CD1 3.86Å |
| 47 | T | 93.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11 | 177.6 | 62.9 | 0 | 0 | 0 | 0 | 114.6 | I43 A44 D45 N49 I56 L84 G88 S89 V92 | I43-T47 WeakPolarHBondContact O-CG2 3.49Å; I43-T47 PolarHBondContact O-N 3.05Å; A44-T47 PolarHBondContact O-N 3.41Å; A44-T47 VanDerWaalsContact O-N 3.14Å; A44-T47 PolarHBondContact O-OG1 3.35Å; D45-T47 VanDerWaalsContact C-N 3.31Å; D45-T47 PolarHBondContact O-N 3Å; T47-N49 VanDerWaalsContact C-N 3.32Å; T47-I56 HydrophobicContact CG2-CD1 3.85Å; T47-I56 HydrophobicContact CG2-CG2 4.02Å; T47-L84 HydrophobicContact CG2-CD1 4.3Å; T47-L84 HydrophobicContact CG2-CD2 3.97Å; T47-G88 WeakPolarHBondContact OG1-CA 3.39Å; T47-S89 WeakPolarHBondContact O-CB 3.27Å; T47-S89 PolarHBondContact OG1-N 3.44Å; T47-V92 HydrophobicContact CG2-CG2 4.04Å |
| 48 | Y | 92.7 | Very high | 92.9 | Very high | 119 Ų | 119 | 47.3 Ų | 47.3 | 47% | 0.467 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -18.7 | 171.1 | -65.8 | -85.8 | 0 | 0 | 0 | 112.6 | A44 D45 L46 T87 G88 | A44-Y48 WeakPolarHBondContact O-CD2 3.37Å; D45-Y48 PolarHBondContact O-N 3.36Å; L46-Y48 PolarHBondContact O-N 2.82Å; Y48-T87 PolarHBondContact OH-O 2.91Å; Y48-G88 PolarHBondContact OH-O 2.98Å; Y48-G88 VanDerWaalsContact OH-O 3.09Å |
| 49 | N | 94 | Very high | 93 | Very high | 86 Ų | 86 | 43.6 Ų | 43.6 | 46% | 0.46 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -82.6 | 122.4 | 170.6 | 176.5 | -16.7 | 0 | 0 | 0 | 110.2 | L46 T47 V51 A52 F53 | L46-N49 WeakPolarHBondContact O-CB 3.47Å; L46-N49 PolarHBondContact O-N 3.4Å; T47-N49 VanDerWaalsContact C-N 3.32Å; N49-V51 VanDerWaalsContact C-N 3.3Å; N49-V51 PolarHBondContact O-N 2.81Å; N49-V51 PolarHBondContact OD1-N 3.29Å; N49-A52 HydrophobicContact CB-CB 4.11Å; N49-A52 PolarHBondContact O-N 2.95Å; N49-F53 WeakPolarHBondContact O-CB 3.42Å; N49-F53 PolarHBondContact O-N 2.75Å |
| 50 | V | 90.1 | Very high | 93.2 | Very high | 84 Ų | 84 | 42.3 Ų | 42.3 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.3 | -32.8 | -174.2 | -172.8 | 0 | 0 | 0 | 0 | 113.6 | S54 | V50-S54 PolarHBondContact O-OG 3.39Å; V50-S54 VanDerWaalsContact O-OG 3.14Å |
| 51 | V | 90.2 | Very high | 93.2 | Very high | 99 Ų | 99 | 43.4 Ų | 43.4 | 60% | 0.6 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -73.5 | -56.5 | 178 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | N49 F53 S54 E55 | N49-V51 VanDerWaalsContact C-N 3.3Å; N49-V51 PolarHBondContact O-N 2.81Å; N49-V51 PolarHBondContact OD1-N 3.29Å; V51-F53 VanDerWaalsContact C-N 3.27Å; V51-F53 PolarHBondContact O-N 3Å; V51-S54 WeakPolarHBondContact O-CB 3.38Å; V51-S54 PolarHBondContact O-N 2.98Å; V51-E55 PolarHBondContact O-N 3.06Å |
| 52 | A | 91.3 | Very high | 93.2 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 5% | 0.05 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.4 | -35.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A20 N49 S54 E55 I56 | A20-A52 HydrophobicContact CB-CB 3.86Å; N49-A52 HydrophobicContact CB-CB 4.11Å; N49-A52 PolarHBondContact O-N 2.95Å; A52-S54 VanDerWaalsContact C-N 3.29Å; A52-S54 PolarHBondContact O-N 3.08Å; A52-E55 PolarHBondContact O-N 3.29Å; A52-I56 HydrophobicContact CB-CD1 4.37Å; A52-I56 WeakPolarHBondContact O-CB 3.42Å; A52-I56 WeakPolarHBondContact O-CD1 3.45Å; A52-I56 WeakPolarHBondContact O-CG1 3.33Å; A52-I56 PolarHBondContact O-N 3.2Å |
| 53 | F | 93.9 | Very high | 93.2 | Very high | 18 Ų | 18 | 46.4 Ų | 46.4 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -51.8 | -46.7 | 173.2 | 173.7 | -91.8 | 0 | 0 | 0 | 112.4 | N49 V51 I56 M57 R91 V92 Q95 | N49-F53 WeakPolarHBondContact O-CB 3.42Å; N49-F53 PolarHBondContact O-N 2.75Å; V51-F53 VanDerWaalsContact C-N 3.27Å; V51-F53 PolarHBondContact O-N 3Å; F53-I56 PolarHBondContact O-N 2.91Å; F53-M57 HydrophobicContact CD2-CG 4.39Å; F53-M57 HydrophobicContact CE1-CG 4.14Å; F53-M57 HydrophobicContact CE2-CG 4.01Å; F53-M57 HydrophobicContact CZ-CG 3.87Å; F53-M57 WeakPolarHBondContact O-CB 3.11Å; F53-M57 WeakPolarHBondContact O-CG 3.31Å; F53-M57 PolarHBondContact O-N 3.15Å; F53-R91 HydrophobicContact CD2-CB 4.34Å; F53-R91 HydrophobicContact CE1-CB 4.39Å; F53-R91 HydrophobicContact CE2-CB 3.56Å; F53-R91 HydrophobicContact CZ-CB 3.59Å; F53-V92 HydrophobicContact CD2-CG2 4.24Å; F53-V92 HydrophobicContact CE2-CB 4.45Å; F53-V92 HydrophobicContact CE2-CG2 3.69Å; F53-Q95 HydrophobicContact CE1-CG 4.39Å; F53-Q95 HydrophobicContact CZ-CG 4.08Å |
| 54 | S | 92.6 | Very high | 93.1 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.7 | -40.4 | -176.6 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | V50 V51 A52 S58 | V50-S54 PolarHBondContact O-OG 3.39Å; V50-S54 VanDerWaalsContact O-OG 3.14Å; V51-S54 WeakPolarHBondContact O-CB 3.38Å; V51-S54 PolarHBondContact O-N 2.98Å; A52-S54 VanDerWaalsContact C-N 3.29Å; A52-S54 PolarHBondContact O-N 3.08Å; S54-S58 WeakPolarHBondContact O-CB 3.23Å; S54-S58 PolarHBondContact O-N 3.02Å |
| 55 | E | 93.3 | Very high | 93 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 174.1 | -61.3 | 176.2 | 153.3 | 0 | 0 | 111.8 | S18 E21 V51 A52 M59 | S18-E55 VanDerWaalsContact CB-CD 3.45Å; S18-E55 WeakPolarHBondContact CB-OE1 3.47Å; S18-E55 WeakPolarHBondContact CB-OE2 3.35Å; S18-E55 PolarHBondContact OG-OE2 3.23Å; E21-E55 HydrophobicContact CG-CB 3.92Å; V51-E55 PolarHBondContact O-N 3.06Å; A52-E55 PolarHBondContact O-N 3.29Å; E55-M59 VanDerWaalsContact O-CB 3.26Å; E55-M59 WeakPolarHBondContact O-CB 3.32Å; E55-M59 PolarHBondContact O-N 3.13Å |
| 56 | I | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.5 | -54.3 | 178.1 | -72 | 163 | 0 | 0 | 0 | 110 | A20 V24 I43 L46 T47 A52 F53 S58 M59 V60 L84 | A20-I56 HydrophobicContact CB-CD1 4.17Å; A20-I56 HydrophobicContact CB-CG1 3.95Å; V24-I56 HydrophobicContact CG2-CB 4.1Å; V24-I56 HydrophobicContact CG2-CG1 3.79Å; V24-I56 HydrophobicContact CG2-CG2 3.85Å; I43-I56 HydrophobicContact CG2-CD1 4Å; I43-I56 HydrophobicContact CG2-CG1 4.24Å; I43-I56 HydrophobicContact CG2-CG2 4.01Å; L46-I56 HydrophobicContact CB-CD1 3.86Å; T47-I56 HydrophobicContact CG2-CD1 3.85Å; T47-I56 HydrophobicContact CG2-CG2 4.02Å; A52-I56 HydrophobicContact CB-CD1 4.37Å; A52-I56 WeakPolarHBondContact O-CB 3.42Å; A52-I56 WeakPolarHBondContact O-CD1 3.45Å; A52-I56 WeakPolarHBondContact O-CG1 3.33Å; A52-I56 PolarHBondContact O-N 3.2Å; F53-I56 PolarHBondContact O-N 2.91Å; I56-S58 PolarHBondContact O-N 3.43Å; I56-M59 PolarHBondContact O-N 2.73Å; I56-V60 HydrophobicContact CG2-CG2 4.38Å; I56-V60 WeakPolarHBondContact O-CG2 3.47Å; I56-V60 PolarHBondContact O-N 3.04Å; I56-L84 HydrophobicContact CG2-CD1 3.95Å |
| 57 | M | 93.6 | Very high | 92.5 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.5 | -44.9 | -177.3 | -69 | -58.9 | -70.4 | 0 | 0 | 111.7 | F53 M59 V60 W61 M81 V92 Q95 | F53-M57 HydrophobicContact CD2-CG 4.39Å; F53-M57 HydrophobicContact CE1-CG 4.14Å; F53-M57 HydrophobicContact CE2-CG 4.01Å; F53-M57 HydrophobicContact CZ-CG 3.87Å; F53-M57 WeakPolarHBondContact O-CB 3.11Å; F53-M57 WeakPolarHBondContact O-CG 3.31Å; F53-M57 PolarHBondContact O-N 3.15Å; M57-M59 VanDerWaalsContact C-N 3.32Å; M57-M59 PolarHBondContact O-N 3.09Å; M57-V60 PolarHBondContact O-N 3.11Å; M57-W61 HydrophobicContact CE-CZ2 4.38Å; M57-W61 PolarHBondContact O-N 2.91Å; M57-M81 HydrophobicContact CE-CE 4.38Å; M57-V92 HydrophobicContact CE-CG1 4.28Å; M57-V92 HydrophobicContact SD-CG1 3.94Å; M57-V92 HydrophobicContact SD-CG2 4.31Å; M57-Q95 HydrophobicContact CE-CB 3.93Å |
| 58 | S | 93.1 | Very high | 92.2 | Very high | 77 Ų | 77 | 53.9 Ų | 53.9 | 54% | 0.538 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56 | -45.7 | 174.7 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | S54 I56 K62 | S54-S58 WeakPolarHBondContact O-CB 3.23Å; S54-S58 PolarHBondContact O-N 3.02Å; I56-S58 PolarHBondContact O-N 3.43Å; S58-K62 VanDerWaalsContact O-CB 3.27Å; S58-K62 WeakPolarHBondContact O-CB 3.32Å; S58-K62 PolarHBondContact O-N 3.39Å; S58-K62 VanDerWaalsContact O-N 3.09Å |
| 59 | M | 92.9 | Very high | 91.9 | Very high | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.039 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.6 | -35.9 | 179.3 | -168.1 | 58.8 | 59.1 | 0 | 0 | 112.8 | Y17 E21 V24 R25 E55 I56 M57 R63 | Y17-M59 HydrophobicContact CD1-CE 4.48Å; Y17-M59 HydrophobicContact CE1-CE 4.24Å; E21-M59 HydrophobicContact CB-CE 4.27Å; E21-M59 HydrophobicContact CG-CE 4.13Å; E21-M59 WeakPolarHBondContact OE1-CE 3.3Å; V24-M59 HydrophobicContact CB-CB 4.47Å; V24-M59 HydrophobicContact CB-CG 4.22Å; V24-M59 HydrophobicContact CG1-CB 3.92Å; V24-M59 HydrophobicContact CG1-CG 3.7Å; R25-M59 VanDerWaalsContact CD-SD 3.53Å; R25-M59 HydrophobicContact CG-CE 4.29Å; R25-M59 HydrophobicContact CG-CG 3.59Å; R25-M59 HydrophobicContact CG-SD 3.47Å; R25-M59 WeakPolarHBondContact CG-SD 3.43Å; E55-M59 VanDerWaalsContact O-CB 3.26Å; E55-M59 WeakPolarHBondContact O-CB 3.32Å; E55-M59 PolarHBondContact O-N 3.13Å; I56-M59 PolarHBondContact O-N 2.73Å; M57-M59 VanDerWaalsContact C-N 3.32Å; M57-M59 PolarHBondContact O-N 3.09Å; M59-R63 WeakPolarHBondContact O-CG 3.27Å; M59-R63 PolarHBondContact O-N 3.42Å |
| 60 | V | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.2 | -50 | 175 | 174 | 0 | 0 | 0 | 0 | 110.7 | V24 I56 M57 K62 R63 L64 A77 L80 M81 | V24-V60 HydrophobicContact CG1-CG2 3.68Å; I56-V60 HydrophobicContact CG2-CG2 4.38Å; I56-V60 WeakPolarHBondContact O-CG2 3.47Å; I56-V60 PolarHBondContact O-N 3.04Å; M57-V60 PolarHBondContact O-N 3.11Å; V60-K62 VanDerWaalsContact C-N 3.28Å; V60-K62 PolarHBondContact O-N 2.95Å; V60-R63 CarbonylContact O-C 3.55Å; V60-R63 WeakPolarHBondContact O-CA 3.11Å; V60-R63 PolarHBondContact O-N 3.01Å; V60-L64 WeakPolarHBondContact O-CB 3.35Å; V60-L64 PolarHBondContact O-N 2.87Å; V60-A77 HydrophobicContact CG1-CB 4.33Å; V60-L80 HydrophobicContact CG2-CD2 3.87Å; V60-M81 HydrophobicContact CG1-CB 4.31Å; V60-M81 HydrophobicContact CG1-CE 3.85Å |
| 61 | W | 93.7 | Very high | 91.7 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 17% | 0.167 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.1 | -41.3 | 177.6 | -72.8 | 124.6 | 0 | 0 | 0 | 112.2 | M57 R63 L64 N65 M81 N99 A102 V103 | M57-W61 HydrophobicContact CE-CZ2 4.38Å; M57-W61 PolarHBondContact O-N 2.91Å; W61-R63 PolarHBondContact O-N 3.19Å; W61-L64 HydrophobicContact CE3-CB 4.48Å; W61-L64 HydrophobicContact CE3-CD1 3.92Å; W61-L64 HydrophobicContact CE3-CD2 4.11Å; W61-L64 HydrophobicContact CE3-CG 4.41Å; W61-L64 HydrophobicContact CZ3-CD1 3.81Å; W61-L64 HydrophobicContact CZ3-CD2 4.11Å; W61-L64 PolarHBondContact O-N 2.96Å; W61-N65 PolarHBondContact O-N 3.36Å; W61-M81 HydrophobicContact CD2-CE 4.1Å; W61-M81 HydrophobicContact CE3-CE 4.07Å; W61-M81 HydrophobicContact CH2-CE 3.69Å; W61-M81 HydrophobicContact CH2-SD 4.3Å; W61-M81 HydrophobicContact CZ2-CE 3.72Å; W61-M81 HydrophobicContact CZ3-CE 3.87Å; W61-M81 HydrophobicContact CZ3-SD 4.5Å; W61-N99 HydrophobicContact CH2-CB 3.82Å; W61-N99 HydrophobicContact CZ2-CB 3.7Å; W61-A102 HydrophobicContact CE3-CB 4.34Å; W61-A102 HydrophobicContact CZ3-CB 3.85Å; W61-V103 HydrophobicContact CH2-CG2 3.75Å; W61-V103 HydrophobicContact CZ3-CG2 3.92Å |
| 62 | K | 93.3 | Very high | 91.9 | Very high | 141 Ų | 141 | 49 Ų | 49 | 61% | 0.613 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.7 | -22.7 | 175.6 | -172.8 | 170.1 | -172.3 | 164.8 | 0 | 114.3 | S58 V60 | S58-K62 VanDerWaalsContact O-CB 3.27Å; S58-K62 WeakPolarHBondContact O-CB 3.32Å; S58-K62 PolarHBondContact O-N 3.39Å; S58-K62 VanDerWaalsContact O-N 3.09Å; V60-K62 VanDerWaalsContact C-N 3.28Å; V60-K62 PolarHBondContact O-N 2.95Å |
| 63 | R | 93.6 | Very high | 91.9 | Very high | 29 Ų | 29 | 49.9 Ų | 49.9 | 11% | 0.109 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -99.9 | -23.8 | 177.1 | -63.6 | -65.5 | -148.8 | 130.7 | 25.2 | 113.2 | R25 T28 M59 V60 W61 N65 D66 H73 A77 | R25-R63 PolarHBondContact O-NH2 3.17Å; T28-R63 HydrophobicContact CG2-CB 4.36Å; T28-R63 HydrophobicContact CG2-CG 4.46Å; T28-R63 PolarHBondContact O-NH2 3Å; T28-R63 PolarHBondContact OG1-NE 3.41Å; T28-R63 PolarHBondContact OG1-NH2 3.01Å; M59-R63 WeakPolarHBondContact O-CG 3.27Å; M59-R63 PolarHBondContact O-N 3.42Å; V60-R63 CarbonylContact O-C 3.55Å; V60-R63 WeakPolarHBondContact O-CA 3.11Å; V60-R63 PolarHBondContact O-N 3.01Å; W61-R63 PolarHBondContact O-N 3.19Å; R63-N65 VanDerWaalsContact C-N 3.3Å; R63-D66 WeakPolarHBondContact O-CB 3.1Å; R63-D66 PolarHBondContact O-N 3.41Å; R63-H73 PolarHBondContact NH1-CD2 2.98Å; R63-H73 PolarHBondContact NH1-CE1 2.94Å; R63-H73 PolarHBondContact NH1-ND1 2.96Å; R63-H73 VanDerWaalsContact NH1-ND1 3.11Å; R63-H73 PolarHBondContact NH1-NE2 3.37Å; R63-A77 HydrophobicContact CB-CB 3.91Å |
| 64 | L | 92.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.5 | -34.5 | 171 | -167.5 | 151 | 0 | 0 | 0 | 110.1 | V60 W61 D66 A77 M81 A102 L106 | V60-L64 WeakPolarHBondContact O-CB 3.35Å; V60-L64 PolarHBondContact O-N 2.87Å; W61-L64 HydrophobicContact CE3-CB 4.48Å; W61-L64 HydrophobicContact CE3-CD1 3.92Å; W61-L64 HydrophobicContact CE3-CD2 4.11Å; W61-L64 HydrophobicContact CE3-CG 4.41Å; W61-L64 HydrophobicContact CZ3-CD1 3.81Å; W61-L64 HydrophobicContact CZ3-CD2 4.11Å; W61-L64 PolarHBondContact O-N 2.96Å; L64-D66 VanDerWaalsContact C-N 3.34Å; L64-D66 PolarHBondContact O-N 3.24Å; L64-A77 HydrophobicContact CB-CB 4.34Å; L64-M81 HydrophobicContact CD1-CE 3.81Å; L64-M81 HydrophobicContact CD1-SD 3.69Å; L64-A102 WeakPolarHBondContact CD2-O 3.26Å; L64-L106 HydrophobicContact CD1-CD1 4.43Å; L64-L106 HydrophobicContact CD2-CD1 3.45Å; L64-L106 VanDerWaalsContact CD2-CD1 3.45Å; L64-L106 HydrophobicContact CD2-CG 4.09Å; L64-L106 HydrophobicContact CG-CD1 3.62Å |
| 65 | N | 91.6 | Very high | 92 | Very high | 110 Ų | 110 | 49.6 Ų | 49.6 | 59% | 0.588 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 22.5 | 173.9 | -154.3 | 58.3 | 0 | 0 | 0 | 114.8 | W61 R63 H67 | W61-N65 PolarHBondContact O-N 3.36Å; R63-N65 VanDerWaalsContact C-N 3.3Å; N65-H67 PolarHBondContact OD1-CE1 2.98Å |
| 66 | D | 90.9 | Very high | 92 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | trans | -77.2 | 152.9 | 165.3 | -114 | -43.5 | 0 | 0 | 0 | 109.7 | R63 L64 N70 H73 V74 | R63-D66 WeakPolarHBondContact O-CB 3.1Å; R63-D66 PolarHBondContact O-N 3.41Å; L64-D66 VanDerWaalsContact C-N 3.34Å; L64-D66 PolarHBondContact O-N 3.24Å; D66-N70 HydrophobicContact CB-CB 3.9Å; D66-N70 WeakPolarHBondContact OD1-CB 3.3Å; D66-N70 PolarHBondContact OD1-ND2 3.45Å; D66-H73 HydrophobicContact CB-CB 4.11Å; D66-H73 WeakPolarHBondContact OD2-CB 3.37Å; D66-H73 IonicContact OD2-CE1 3.34Å; D66-H73 IonicContact OD2-CG 2.69Å; D66-H73 IonicContact OD2-ND1 3.3Å; D66-H73 PolarHBondContact OD2-ND1 3.01Å; D66-V74 HydrophobicContact CB-CG2 3.94Å; D66-V74 WeakPolarHBondContact O-CG2 3.45Å | ||
| 67 | H | 86.4 | Confident | 92 | Very high | 114 Ų | 114 | 47.2 Ų | 47.2 | 53% | 0.528 | 23% | 0.228 | S | C | . | . | trans | -134.4 | 160.5 | -174.6 | -60.7 | -20 | 0 | 0 | 0 | 113.9 | N65 K69 N70 | N65-H67 PolarHBondContact OD1-CE1 2.98Å; H67-K69 PolarHBondContact O-N 3.14Å; H67-N70 PolarHBondContact O-N 2.88Å | ||
| 68 | G | 86.6 | Confident | 92 | Very high | 26 Ų | 26 | 47 Ų | 47 | 27% | 0.268 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | 58.4 | -122.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N70 W71 | G68-N70 PolarHBondContact O-N 3.49Å; G68-W71 WeakPolarHBondContact O-CB 3.22Å; G68-W71 PolarHBondContact O-N 3Å |
| 69 | K | 86.8 | Confident | 92.1 | Very high | 156 Ų | 156 | 44.4 Ų | 44.4 | 68% | 0.678 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -55.3 | -18 | -179.4 | 72.9 | -174.3 | -179.1 | -172.8 | 0 | 114.8 | H67 W71 | H67-K69 PolarHBondContact O-N 3.14Å; K69-W71 VanDerWaalsContact C-N 3.31Å |
| 70 | N | 89.9 | Confident | 92.2 | Very high | 43 Ų | 43 | 44 Ų | 44 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -89.1 | 13.5 | 176.8 | -69.1 | 0.6 | 0 | 0 | 0 | 112.9 | D66 H67 G68 R72 H73 | D66-N70 HydrophobicContact CB-CB 3.9Å; D66-N70 WeakPolarHBondContact OD1-CB 3.3Å; D66-N70 PolarHBondContact OD1-ND2 3.45Å; H67-N70 PolarHBondContact O-N 2.88Å; G68-N70 PolarHBondContact O-N 3.49Å; N70-R72 PolarHBondContact O-N 2.76Å; N70-H73 WeakPolarHBondContact O-CB 3.32Å; N70-H73 PolarHBondContact O-N 3.43Å |
| 71 | W | 91 | Very high | 92.1 | Very high | 18 Ų | 18 | 44 Ų | 44 | 7% | 0.068 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -48.3 | -30.5 | -178.9 | 68.2 | -95.7 | 0 | 0 | 0 | 114.7 | G68 K69 H73 V74 Y75 F109 Y111 Q119 | G68-W71 WeakPolarHBondContact O-CB 3.22Å; G68-W71 PolarHBondContact O-N 3Å; K69-W71 VanDerWaalsContact C-N 3.31Å; W71-H73 VanDerWaalsContact C-N 3.33Å; W71-H73 PolarHBondContact O-N 3.48Å; W71-V74 WeakPolarHBondContact O-CB 3.48Å; W71-V74 PolarHBondContact O-N 3.03Å; W71-Y75 WeakPolarHBondContact O-CB 3.42Å; W71-Y75 PolarHBondContact O-N 2.9Å; W71-F109 HydrophobicContact CB-CE1 3.87Å; W71-F109 HydrophobicContact CB-CZ 3.85Å; W71-Y111 HydrophobicContact CB-CD1 4.39Å; W71-Y111 AromaticContact CD1-CD1 3.24Å; W71-Y111 AromaticContact CD1-CE1 3.34Å; W71-Y111 AromaticContact CG-CD1 3.95Å; W71-Y111 HydrophobicContact CG-CD1 3.95Å; W71-Y111 HydrophobicContact CG-CE1 4.42Å; W71-Y111 AromaticContact NE1-CD1 3.76Å; W71-Y111 AromaticContact NE1-CE1 3.56Å; W71-Q119 HydrophobicContact CD2-CB 3.74Å; W71-Q119 HydrophobicContact CD2-CG 4.33Å; W71-Q119 HydrophobicContact CE3-CB 4.07Å; W71-Q119 HydrophobicContact CG-CB 4.2Å; W71-Q119 HydrophobicContact CH2-CB 4.16Å; W71-Q119 HydrophobicContact CH2-CG 4.29Å; W71-Q119 HydrophobicContact CZ2-CB 3.84Å; W71-Q119 HydrophobicContact CZ2-CG 3.65Å; W71-Q119 HydrophobicContact CZ3-CB 4.28Å |
| 72 | R | 92.7 | Very high | 92.1 | Very high | 70 Ų | 70 | 44 Ų | 44 | 26% | 0.264 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63 | -36.6 | 175 | -63.2 | -175.3 | 179.4 | -82.5 | -1 | 112.6 | N30 P32 N70 K76 | N30-R72 WeakPolarHBondContact O-CD 3.35Å; P32-R72 PolarHBondContact O-NH1 3Å; N70-R72 PolarHBondContact O-N 2.76Å; R72-K76 WeakPolarHBondContact O-CB 3.41Å; R72-K76 VanDerWaalsContact O-CG 3.29Å; R72-K76 WeakPolarHBondContact O-CG 3.43Å; R72-K76 PolarHBondContact O-N 3.09Å |
| 73 | H | 93.1 | Very high | 92.2 | Very high | 23 Ų | 23 | 39.8 Ų | 39.8 | 11% | 0.106 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 173.8 | -61.3 | 158.9 | 0 | 0 | 0 | 110.8 | T28 R63 D66 N70 W71 A77 | T28-H73 PolarHBondContact O-CD2 3.03Å; T28-H73 VanDerWaalsContact O-CD2 3.23Å; R63-H73 PolarHBondContact NH1-CD2 2.98Å; R63-H73 PolarHBondContact NH1-CE1 2.94Å; R63-H73 PolarHBondContact NH1-ND1 2.96Å; R63-H73 VanDerWaalsContact NH1-ND1 3.11Å; R63-H73 PolarHBondContact NH1-NE2 3.37Å; D66-H73 HydrophobicContact CB-CB 4.11Å; D66-H73 WeakPolarHBondContact OD2-CB 3.37Å; D66-H73 IonicContact OD2-CE1 3.34Å; D66-H73 IonicContact OD2-CG 2.69Å; D66-H73 IonicContact OD2-ND1 3.3Å; D66-H73 PolarHBondContact OD2-ND1 3.01Å; N70-H73 WeakPolarHBondContact O-CB 3.32Å; N70-H73 PolarHBondContact O-N 3.43Å; W71-H73 VanDerWaalsContact C-N 3.33Å; W71-H73 PolarHBondContact O-N 3.48Å; H73-A77 WeakPolarHBondContact O-CB 3.5Å; H73-A77 PolarHBondContact O-N 3.22Å |
| 74 | V | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.5 | -56.2 | 177.6 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | D66 W71 K76 A77 M78 L106 F109 V123 | D66-V74 HydrophobicContact CB-CG2 3.94Å; D66-V74 WeakPolarHBondContact O-CG2 3.45Å; W71-V74 WeakPolarHBondContact O-CB 3.48Å; W71-V74 PolarHBondContact O-N 3.03Å; V74-K76 VanDerWaalsContact C-N 3.31Å; V74-K76 PolarHBondContact O-N 2.98Å; V74-A77 WeakPolarHBondContact O-CB 3.28Å; V74-A77 PolarHBondContact O-N 2.97Å; V74-M78 HydrophobicContact CG1-CG 4.44Å; V74-M78 WeakPolarHBondContact O-CG 3.28Å; V74-M78 PolarHBondContact O-N 3.16Å; V74-L106 HydrophobicContact CG1-CD1 3.61Å; V74-L106 HydrophobicContact CG1-CD2 4.01Å; V74-L106 HydrophobicContact CG1-CG 4.46Å; V74-F109 HydrophobicContact CG2-CE2 4.03Å; V74-F109 HydrophobicContact CG2-CZ 4.32Å; V74-V123 HydrophobicContact CG1-CG1 3.78Å |
| 75 | Y | 93.6 | Very high | 92.3 | Very high | 84 Ų | 84 | 38.3 Ų | 38.3 | 33% | 0.329 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.4 | -41.2 | -178.2 | -176.1 | -102.1 | 0 | 0 | 0 | 112.9 | W71 T79 N122 V123 K126 | W71-Y75 WeakPolarHBondContact O-CB 3.42Å; W71-Y75 PolarHBondContact O-N 2.9Å; Y75-T79 WeakPolarHBondContact O-CB 3.2Å; Y75-T79 PolarHBondContact O-N 2.93Å; Y75-T79 PolarHBondContact O-OG1 2.76Å; Y75-N122 HydrophobicContact CD2-CB 4.15Å; Y75-N122 HydrophobicContact CE2-CB 3.94Å; Y75-V123 HydrophobicContact CD2-CG2 4.36Å; Y75-K126 HydrophobicContact CE2-CB 4.32Å; Y75-K126 HydrophobicContact CE2-CD 3.93Å |
| 76 | K | 94.1 | Very high | 92.4 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.9 | -34.4 | 175.4 | -66.1 | -168 | -154.6 | -173.5 | 0 | 113 | A27 S29 D31 W33 R72 V74 T79 L80 | A27-K76 WeakPolarHBondContact O-CB 3.22Å; A27-K76 WeakPolarHBondContact O-CD 3.16Å; S29-K76 WeakPolarHBondContact O-CD 3.33Å; S29-K76 WeakPolarHBondContact O-CE 3.27Å; S29-K76 PolarHBondContact O-NZ 3.08Å; S29-K76 PolarHBondContact OG-NZ 2.76Å; D31-K76 VanDerWaalsContact O-CE 3.27Å; D31-K76 WeakPolarHBondContact O-CE 3.47Å; D31-K76 PolarHBondContact O-NZ 2.86Å; W33-K76 WeakPolarHBondContact O-CE 3.48Å; W33-K76 PolarHBondContact O-NZ 3.09Å; R72-K76 WeakPolarHBondContact O-CB 3.41Å; R72-K76 VanDerWaalsContact O-CG 3.29Å; R72-K76 WeakPolarHBondContact O-CG 3.43Å; R72-K76 PolarHBondContact O-N 3.09Å; V74-K76 VanDerWaalsContact C-N 3.31Å; V74-K76 PolarHBondContact O-N 2.98Å; K76-T79 PolarHBondContact O-N 3.41Å; K76-L80 WeakPolarHBondContact O-CB 3.38Å; K76-L80 PolarHBondContact O-N 3.18Å |
| 77 | A | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T28 V60 R63 L64 H73 V74 L80 M81 | T28-A77 HydrophobicContact CG2-CB 4.03Å; V60-A77 HydrophobicContact CG1-CB 4.33Å; R63-A77 HydrophobicContact CB-CB 3.91Å; L64-A77 HydrophobicContact CB-CB 4.34Å; H73-A77 WeakPolarHBondContact O-CB 3.5Å; H73-A77 PolarHBondContact O-N 3.22Å; V74-A77 WeakPolarHBondContact O-CB 3.28Å; V74-A77 PolarHBondContact O-N 2.97Å; A77-L80 PolarHBondContact O-N 3.05Å; A77-M81 VanDerWaalsContact O-CB 3.27Å; A77-M81 WeakPolarHBondContact O-CB 3.45Å; A77-M81 PolarHBondContact O-N 3.39Å |
| 78 | M | 93.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 172.1 | -60.3 | -156.3 | 80.3 | 0 | 0 | 112.3 | V74 M81 E82 V103 L106 V123 K126 A127 L130 | V74-M78 HydrophobicContact CG1-CG 4.44Å; V74-M78 WeakPolarHBondContact O-CG 3.28Å; V74-M78 PolarHBondContact O-N 3.16Å; M78-M81 PolarHBondContact O-N 3.33Å; M78-E82 WeakPolarHBondContact O-CB 3.31Å; M78-E82 PolarHBondContact O-N 3.06Å; M78-V103 HydrophobicContact CE-CG1 3.88Å; M78-L106 HydrophobicContact CE-CB 4.37Å; M78-L106 HydrophobicContact CE-CD1 3.94Å; M78-L106 HydrophobicContact CG-CD1 3.91Å; M78-L106 HydrophobicContact SD-CB 4.16Å; M78-L106 HydrophobicContact SD-CD1 3.5Å; M78-L106 WeakPolarHBondContact SD-CD1 3.32Å; M78-V123 HydrophobicContact SD-CG1 4.07Å; M78-K126 HydrophobicContact CB-CG 4.16Å; M78-A127 VanDerWaalsContact CE-CA 3.47Å; M78-A127 HydrophobicContact CE-CB 3.64Å; M78-A127 HydrophobicContact SD-CB 4.05Å; M78-L130 HydrophobicContact CE-CB 4.45Å; M78-L130 HydrophobicContact CE-CD2 3.77Å |
| 79 | T | 94.3 | Very high | 93 | Very high | 22 Ų | 22 | 27.3 Ų | 27.3 | 14% | 0.135 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.6 | -41.6 | 177.1 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | P35 M40 Y75 K76 Y83 K126 | P35-T79 HydrophobicContact CG-CG2 3.96Å; M40-T79 HydrophobicContact SD-CG2 4.34Å; Y75-T79 WeakPolarHBondContact O-CB 3.2Å; Y75-T79 PolarHBondContact O-N 2.93Å; Y75-T79 PolarHBondContact O-OG1 2.76Å; K76-T79 PolarHBondContact O-N 3.41Å; T79-Y83 PolarHBondContact O-N 2.82Å; T79-K126 WeakPolarHBondContact OG1-CE 3.37Å; T79-K126 PolarHBondContact OG1-NZ 2.84Å |
| 80 | L | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.5 | -47.2 | 172.9 | 179.4 | 62.5 | 0 | 0 | 0 | 110.8 | V24 A27 T28 M40 I43 V60 K76 A77 E82 Y83 L84 | V24-L80 HydrophobicContact CG1-CD2 4.1Å; V24-L80 HydrophobicContact CG2-CD2 4.3Å; A27-L80 HydrophobicContact CB-CD1 4.48Å; A27-L80 HydrophobicContact CB-CD2 4.02Å; T28-L80 HydrophobicContact CG2-CD2 4.33Å; M40-L80 HydrophobicContact CB-CD1 4.38Å; M40-L80 HydrophobicContact CG-CD1 4.01Å; I43-L80 HydrophobicContact CB-CD1 4.32Å; I43-L80 HydrophobicContact CD1-CD1 3.91Å; I43-L80 HydrophobicContact CD1-CD2 4.13Å; I43-L80 HydrophobicContact CG2-CD1 4.24Å; V60-L80 HydrophobicContact CG2-CD2 3.87Å; K76-L80 WeakPolarHBondContact O-CB 3.38Å; K76-L80 PolarHBondContact O-N 3.18Å; A77-L80 PolarHBondContact O-N 3.05Å; L80-E82 PolarHBondContact O-N 3.14Å; L80-Y83 PolarHBondContact O-N 3.38Å; L80-Y83 VanDerWaalsContact O-N 3.15Å; L80-L84 HydrophobicContact CD1-CD1 4.12Å; L80-L84 HydrophobicContact CD1-CD2 4.29Å; L80-L84 HydrophobicContact CD1-CG 3.99Å; L80-L84 HydrophobicContact CD2-CD1 4.49Å; L80-L84 HydrophobicContact CG-CD1 3.87Å; L80-L84 HydrophobicContact CG-CG 4.16Å; L80-L84 WeakPolarHBondContact O-CB 3.22Å; L80-L84 VanDerWaalsContact O-CG 3.25Å; L80-L84 WeakPolarHBondContact O-CG 3.29Å; L80-L84 PolarHBondContact O-N 3.33Å |
| 81 | M | 94.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.1 | -45.5 | 179.3 | -179.1 | 172.4 | -87.6 | 0 | 0 | 112.3 | M57 V60 W61 L64 A77 M78 Y83 L84 I85 V103 L130 | M57-M81 HydrophobicContact CE-CE 4.38Å; V60-M81 HydrophobicContact CG1-CB 4.31Å; V60-M81 HydrophobicContact CG1-CE 3.85Å; W61-M81 HydrophobicContact CD2-CE 4.1Å; W61-M81 HydrophobicContact CE3-CE 4.07Å; W61-M81 HydrophobicContact CH2-CE 3.69Å; W61-M81 HydrophobicContact CH2-SD 4.3Å; W61-M81 HydrophobicContact CZ2-CE 3.72Å; W61-M81 HydrophobicContact CZ3-CE 3.87Å; W61-M81 HydrophobicContact CZ3-SD 4.5Å; L64-M81 HydrophobicContact CD1-CE 3.81Å; L64-M81 HydrophobicContact CD1-SD 3.69Å; A77-M81 VanDerWaalsContact O-CB 3.27Å; A77-M81 WeakPolarHBondContact O-CB 3.45Å; A77-M81 PolarHBondContact O-N 3.39Å; M78-M81 PolarHBondContact O-N 3.33Å; M81-Y83 PolarHBondContact O-N 3.02Å; M81-L84 PolarHBondContact O-N 3.23Å; M81-I85 HydrophobicContact CG-CD1 3.9Å; M81-I85 WeakPolarHBondContact O-CD1 3.43Å; M81-I85 VanDerWaalsContact O-CG1 3.3Å; M81-I85 WeakPolarHBondContact O-CG1 3.39Å; M81-I85 PolarHBondContact O-N 3.35Å; M81-V103 HydrophobicContact SD-CG2 4.38Å; M81-L130 HydrophobicContact CG-CD2 4.23Å; M81-L130 HydrophobicContact SD-CD2 4.15Å |
| 82 | E | 93.6 | Very high | 93.4 | Very high | 44 Ų | 44 | 30.3 Ų | 30.3 | 21% | 0.206 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56 | -48.3 | 173.6 | -170.3 | -152.1 | 157.5 | 0 | 0 | 111.6 | M78 L80 L84 I85 K86 K126 L130 | M78-E82 WeakPolarHBondContact O-CB 3.31Å; M78-E82 PolarHBondContact O-N 3.06Å; L80-E82 PolarHBondContact O-N 3.14Å; E82-L84 PolarHBondContact O-N 3.23Å; E82-I85 PolarHBondContact O-N 3.12Å; E82-K86 HydrophobicContact CG-CD 4.42Å; E82-K86 WeakPolarHBondContact O-CG 3.03Å; E82-K86 PolarHBondContact O-N 3.27Å; E82-K86 VanDerWaalsContact O-N 3.1Å; E82-K86 WeakPolarHBondContact OE1-CE 3.43Å; E82-K86 IonicContact OE1-NZ 2.72Å; E82-K86 PolarHBondContact OE1-NZ 2.96Å; E82-K126 WeakPolarHBondContact OE2-CE 3.37Å; E82-K126 IonicContact OE2-NZ 2.76Å; E82-K126 PolarHBondContact OE2-NZ 3.4Å; E82-L130 HydrophobicContact CB-CD1 4.09Å; E82-L130 HydrophobicContact CG-CD1 4.26Å |
| 83 | Y | 94.3 | Very high | 93.4 | Very high | 51 Ų | 51 | 27.2 Ų | 27.2 | 20% | 0.2 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.5 | -39.4 | 179.4 | -173.8 | -90.4 | 0 | 0 | 0 | 112.5 | M40 S41 A44 T79 L80 M81 K86 T87 | M40-Y83 VanDerWaalsContact C-CE1 3.43Å; M40-Y83 HydrophobicContact CB-CD1 3.6Å; M40-Y83 HydrophobicContact CB-CE1 3.8Å; M40-Y83 HydrophobicContact CB-CG 4.04Å; M40-Y83 WeakPolarHBondContact O-CE1 3.3Å; M40-Y83 HydrophobicContact SD-CG 4.33Å; S41-Y83 PolarHBondContact OG-OH 3.07Å; S41-Y83 VanDerWaalsContact OG-OH 3.07Å; A44-Y83 HydrophobicContact CB-CD1 4.35Å; A44-Y83 HydrophobicContact CB-CE1 3.95Å; T79-Y83 PolarHBondContact O-N 2.82Å; L80-Y83 PolarHBondContact O-N 3.38Å; L80-Y83 VanDerWaalsContact O-N 3.15Å; M81-Y83 PolarHBondContact O-N 3.02Å; Y83-K86 PolarHBondContact O-N 3.38Å; Y83-T87 WeakPolarHBondContact CD1-OG1 3.45Å; Y83-T87 HydrophobicContact CE1-CG2 4.34Å; Y83-T87 WeakPolarHBondContact CE1-OG1 3.11Å; Y83-T87 HydrophobicContact CE2-CG2 4.09Å; Y83-T87 PolarHBondContact O-N 3.48Å; Y83-T87 PolarHBondContact O-OG1 3.27Å |
| 84 | L | 94.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.1 | -34.3 | 177.4 | -66.8 | 179 | 0 | 0 | 0 | 112.5 | I43 A44 T47 I56 L80 M81 E82 G88 V92 | I43-L84 HydrophobicContact CB-CD2 4.4Å; I43-L84 HydrophobicContact CG2-CD1 4.22Å; I43-L84 HydrophobicContact CG2-CD2 3.95Å; A44-L84 HydrophobicContact CB-CD2 3.75Å; T47-L84 HydrophobicContact CG2-CD1 4.3Å; T47-L84 HydrophobicContact CG2-CD2 3.97Å; I56-L84 HydrophobicContact CG2-CD1 3.95Å; L80-L84 HydrophobicContact CD1-CD1 4.12Å; L80-L84 HydrophobicContact CD1-CD2 4.29Å; L80-L84 HydrophobicContact CD1-CG 3.99Å; L80-L84 HydrophobicContact CD2-CD1 4.49Å; L80-L84 HydrophobicContact CG-CD1 3.87Å; L80-L84 HydrophobicContact CG-CG 4.16Å; L80-L84 WeakPolarHBondContact O-CB 3.22Å; L80-L84 VanDerWaalsContact O-CG 3.25Å; L80-L84 WeakPolarHBondContact O-CG 3.29Å; L80-L84 PolarHBondContact O-N 3.33Å; M81-L84 PolarHBondContact O-N 3.23Å; E82-L84 PolarHBondContact O-N 3.23Å; L84-G88 WeakPolarHBondContact O-CA 3.42Å; L84-G88 PolarHBondContact O-N 3.26Å; L84-V92 HydrophobicContact CB-CG1 3.88Å; L84-V92 HydrophobicContact CB-CG2 4.35Å |
| 85 | I | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.9 | -44.6 | 171.9 | -71 | 157.7 | 0 | 0 | 0 | 110.4 | M81 E82 V92 A93 C96 L130 L134 L140 R144 | M81-I85 HydrophobicContact CG-CD1 3.9Å; M81-I85 WeakPolarHBondContact O-CD1 3.43Å; M81-I85 VanDerWaalsContact O-CG1 3.3Å; M81-I85 WeakPolarHBondContact O-CG1 3.39Å; M81-I85 PolarHBondContact O-N 3.35Å; E82-I85 PolarHBondContact O-N 3.12Å; I85-V92 HydrophobicContact CG1-CG1 3.9Å; I85-A93 HydrophobicContact CG2-CB 4.17Å; I85-C96 HydrophobicContact CD1-CB 4.13Å; I85-L130 HydrophobicContact CD1-CD1 3.72Å; I85-L134 HydrophobicContact CD1-CD1 4.41Å; I85-L134 HydrophobicContact CD1-CD2 3.86Å; I85-L134 HydrophobicContact CD1-CG 4.31Å; I85-L140 HydrophobicContact CG2-CD1 3.66Å; I85-L140 HydrophobicContact CG2-CD2 4.31Å; I85-L140 HydrophobicContact CG2-CG 3.97Å; I85-R144 PolarHBondContact O-NH1 3.06Å |
| 86 | K | 93.1 | Very high | 93.2 | Very high | 37 Ų | 37 | 28.9 Ų | 28.9 | 16% | 0.161 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -72.8 | -27.7 | -178.7 | -69.8 | 179.8 | 177.6 | -175 | 0 | 114.4 | E82 Y83 L133 E143 R144 A147 | E82-K86 HydrophobicContact CG-CD 4.42Å; E82-K86 WeakPolarHBondContact O-CG 3.03Å; E82-K86 PolarHBondContact O-N 3.27Å; E82-K86 VanDerWaalsContact O-N 3.1Å; E82-K86 WeakPolarHBondContact OE1-CE 3.43Å; E82-K86 IonicContact OE1-NZ 2.72Å; E82-K86 PolarHBondContact OE1-NZ 2.96Å; Y83-K86 PolarHBondContact O-N 3.38Å; K86-L133 VanDerWaalsContact CE-CD2 3.46Å; K86-L133 HydrophobicContact CG-CD2 4.33Å; K86-E143 WeakPolarHBondContact CE-OE2 3.42Å; K86-E143 IonicContact NZ-OE2 3.09Å; K86-E143 PolarHBondContact NZ-OE2 3.26Å; K86-R144 WeakPolarHBondContact O-CA 3.24Å; K86-A147 HydrophobicContact CB-CB 4.04Å |
| 87 | T | 92.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -136.7 | -21.4 | -171.3 | 65.9 | 0 | 0 | 0 | 0 | 116.4 | Y48 Y83 A147 | Y48-T87 PolarHBondContact OH-O 2.91Å; Y83-T87 WeakPolarHBondContact CD1-OG1 3.45Å; Y83-T87 HydrophobicContact CE1-CG2 4.34Å; Y83-T87 WeakPolarHBondContact CE1-OG1 3.11Å; Y83-T87 HydrophobicContact CE2-CG2 4.09Å; Y83-T87 PolarHBondContact O-N 3.48Å; Y83-T87 PolarHBondContact O-OG1 3.27Å; T87-A147 HydrophobicContact CG2-CB 3.87Å |
| 88 | G | 91.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -80.6 | -166.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T47 Y48 L84 R144 | T47-G88 WeakPolarHBondContact OG1-CA 3.39Å; Y48-G88 PolarHBondContact OH-O 2.98Å; Y48-G88 VanDerWaalsContact OH-O 3.09Å; L84-G88 WeakPolarHBondContact O-CA 3.42Å; L84-G88 PolarHBondContact O-N 3.26Å; G88-R144 PolarHBondContact O-NH1 3.38Å; G88-R144 PolarHBondContact O-NH2 2.88Å |
| 89 | S | 93.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | trans | -60.4 | 138.8 | 177.6 | -179.8 | 0 | 0 | 0 | 0 | 112.1 | T47 R91 V92 | T47-S89 WeakPolarHBondContact O-CB 3.27Å; T47-S89 PolarHBondContact OG1-N 3.44Å; S89-R91 PolarHBondContact O-N 2.93Å; S89-R91 VanDerWaalsContact O-N 3.09Å; S89-V92 VanDerWaalsContact O-CB 3.28Å; S89-V92 WeakPolarHBondContact O-CB 3.38Å; S89-V92 VanDerWaalsContact O-CG2 3.28Å; S89-V92 WeakPolarHBondContact O-CG2 3.44Å; S89-V92 PolarHBondContact O-N 3.2Å | ||
| 90 | E | 90.8 | Very high | 92.7 | Very high | 139 Ų | 139 | 40.6 Ų | 40.6 | 65% | 0.65 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -56.8 | -26.4 | 177.8 | -175.5 | 172.9 | -161.9 | 0 | 0 | 112.9 | V92 A93 Q94 | E90-V92 PolarHBondContact O-N 3.12Å; E90-V92 VanDerWaalsContact O-N 3.13Å; E90-A93 WeakPolarHBondContact O-CB 3.38Å; E90-A93 PolarHBondContact O-N 2.85Å; E90-Q94 PolarHBondContact O-N 2.82Å |
| 91 | R | 91.4 | Very high | 92.5 | Very high | 140 Ų | 140 | 49.2 Ų | 49.2 | 53% | 0.528 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.9 | -26.2 | 172.5 | -60.4 | -176.3 | -177 | -170.2 | 0.6 | 113.1 | F53 S89 Q95 | F53-R91 HydrophobicContact CD2-CB 4.34Å; F53-R91 HydrophobicContact CE1-CB 4.39Å; F53-R91 HydrophobicContact CE2-CB 3.56Å; F53-R91 HydrophobicContact CZ-CB 3.59Å; S89-R91 PolarHBondContact O-N 2.93Å; S89-R91 VanDerWaalsContact O-N 3.09Å; R91-Q95 PolarHBondContact O-N 3.03Å |
| 92 | V | 93 | Very high | 92.3 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.7 | -49 | 174.3 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | T47 F53 M57 L84 I85 S89 E90 Q94 Q95 C96 | T47-V92 HydrophobicContact CG2-CG2 4.04Å; F53-V92 HydrophobicContact CD2-CG2 4.24Å; F53-V92 HydrophobicContact CE2-CB 4.45Å; F53-V92 HydrophobicContact CE2-CG2 3.69Å; M57-V92 HydrophobicContact CE-CG1 4.28Å; M57-V92 HydrophobicContact SD-CG1 3.94Å; M57-V92 HydrophobicContact SD-CG2 4.31Å; L84-V92 HydrophobicContact CB-CG1 3.88Å; L84-V92 HydrophobicContact CB-CG2 4.35Å; I85-V92 HydrophobicContact CG1-CG1 3.9Å; S89-V92 VanDerWaalsContact O-CB 3.28Å; S89-V92 WeakPolarHBondContact O-CB 3.38Å; S89-V92 VanDerWaalsContact O-CG2 3.28Å; S89-V92 WeakPolarHBondContact O-CG2 3.44Å; S89-V92 PolarHBondContact O-N 3.2Å; E90-V92 PolarHBondContact O-N 3.12Å; E90-V92 VanDerWaalsContact O-N 3.13Å; V92-Q94 VanDerWaalsContact C-N 3.32Å; V92-Q94 PolarHBondContact O-N 2.64Å; V92-Q95 PolarHBondContact O-N 3.2Å; V92-C96 WeakPolarHBondContact O-CB 3.32Å; V92-C96 PolarHBondContact O-N 3.22Å; V92-C96 PolarHBondContact O-SG 3.35Å |
| 93 | A | 92.3 | Very high | 92.2 | Very high | 6 Ų | 6 | 49 Ų | 49 | 5% | 0.05 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60 | -44.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | I85 E90 C96 R97 L140 | I85-A93 HydrophobicContact CG2-CB 4.17Å; E90-A93 WeakPolarHBondContact O-CB 3.38Å; E90-A93 PolarHBondContact O-N 2.85Å; A93-C96 PolarHBondContact O-N 2.83Å; A93-R97 WeakPolarHBondContact O-CG 3.2Å; A93-R97 PolarHBondContact O-N 2.96Å; A93-L140 HydrophobicContact CB-CD1 4.33Å; A93-L140 HydrophobicContact CB-CD2 4.25Å |
| 94 | Q | 92.7 | Very high | 92.1 | Very high | 77 Ų | 77 | 49 Ų | 49 | 36% | 0.36 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.3 | -52.4 | 177.2 | -176.7 | 57.4 | 20.4 | 0 | 0 | 112.6 | E90 V92 C96 R97 E98 | E90-Q94 PolarHBondContact O-N 2.82Å; V92-Q94 VanDerWaalsContact C-N 3.32Å; V92-Q94 PolarHBondContact O-N 2.64Å; Q94-C96 VanDerWaalsContact C-N 3.26Å; Q94-C96 PolarHBondContact O-N 3.3Å; Q94-R97 PolarHBondContact O-N 3.48Å; Q94-R97 VanDerWaalsContact O-N 3.08Å; Q94-E98 WeakPolarHBondContact CG-OE1 3Å; Q94-E98 PolarHBondContact NE2-OE1 3.45Å; Q94-E98 WeakPolarHBondContact O-CG 3.39Å; Q94-E98 PolarHBondContact O-N 2.86Å |
| 95 | Q | 92.2 | Very high | 92 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.4 | -30.4 | 177.6 | -82 | -89.4 | -79.4 | 0 | 0 | 113.5 | F53 M57 R91 V92 E98 N99 | F53-Q95 HydrophobicContact CE1-CG 4.39Å; F53-Q95 HydrophobicContact CZ-CG 4.08Å; M57-Q95 HydrophobicContact CE-CB 3.93Å; R91-Q95 PolarHBondContact O-N 3.03Å; V92-Q95 PolarHBondContact O-N 3.2Å; Q95-E98 PolarHBondContact NE2-OE2 3.15Å; Q95-N99 WeakPolarHBondContact O-CB 3.27Å; Q95-N99 PolarHBondContact O-N 3.22Å; Q95-N99 VanDerWaalsContact O-N 3.15Å; Q95-N99 PolarHBondContact O-ND2 3.1Å |
| 96 | C | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -74 | -28.1 | 174.9 | -65.3 | 0 | 0 | 0 | 0 | 113.1 | I85 V92 A93 Q94 I100 L134 | I85-C96 HydrophobicContact CD1-CB 4.13Å; V92-C96 WeakPolarHBondContact O-CB 3.32Å; V92-C96 PolarHBondContact O-N 3.22Å; V92-C96 PolarHBondContact O-SG 3.35Å; A93-C96 PolarHBondContact O-N 2.83Å; Q94-C96 VanDerWaalsContact C-N 3.26Å; Q94-C96 PolarHBondContact O-N 3.3Å; C96-I100 WeakPolarHBondContact O-CA 3.35Å; C96-I100 PolarHBondContact O-N 3.42Å; C96-L134 HydrophobicContact CB-CD1 3.86Å; C96-L134 HydrophobicContact CB-CD2 3.63Å; C96-L134 HydrophobicContact CB-CG 4.43Å |
| 97 | R | 91 | Very high | 91.7 | Very high | 79 Ų | 79 | 54.8 Ų | 54.8 | 30% | 0.298 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -75.5 | -44 | 171.6 | -67.4 | -170.9 | -60 | -174.1 | 2.4 | 111.9 | A93 Q94 N99 I100 L134 E137 | A93-R97 WeakPolarHBondContact O-CG 3.2Å; A93-R97 PolarHBondContact O-N 2.96Å; Q94-R97 PolarHBondContact O-N 3.48Å; Q94-R97 VanDerWaalsContact O-N 3.08Å; R97-N99 PolarHBondContact O-N 3.29Å; R97-I100 VanDerWaalsContact O-CB 3.3Å; R97-I100 WeakPolarHBondContact O-CB 3.4Å; R97-I100 WeakPolarHBondContact O-CG2 3.32Å; R97-I100 PolarHBondContact O-N 2.91Å; R97-L134 HydrophobicContact CG-CD2 4.05Å; R97-E137 IonicContact CZ-OE2 3.73Å; R97-E137 IonicContact NH1-OE2 3.65Å; R97-E137 PolarHBondContact NH1-OE2 3.44Å; R97-E137 IonicContact NH2-OE2 2.72Å; R97-E137 PolarHBondContact NH2-OE2 2.83Å |
| 98 | E | 92.9 | Very high | 91.6 | Very high | 100 Ų | 100 | 60.2 Ų | 60.2 | 47% | 0.467 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.9 | -37.1 | 175.6 | -71 | 163.5 | 175.7 | 0 | 0 | 111.9 | Q94 Q95 | Q94-E98 WeakPolarHBondContact CG-OE1 3Å; Q94-E98 PolarHBondContact NE2-OE1 3.45Å; Q94-E98 WeakPolarHBondContact O-CG 3.39Å; Q94-E98 PolarHBondContact O-N 2.86Å; Q95-E98 PolarHBondContact NE2-OE2 3.15Å |
| 99 | N | 90.6 | Very high | 91.6 | Very high | 68 Ų | 68 | 61.1 Ų | 61.1 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 24.5 | 179.9 | -62.2 | -86.5 | 0 | 0 | 0 | 113.2 | W61 Q95 R97 Y101 A102 | W61-N99 HydrophobicContact CH2-CB 3.82Å; W61-N99 HydrophobicContact CZ2-CB 3.7Å; Q95-N99 WeakPolarHBondContact O-CB 3.27Å; Q95-N99 PolarHBondContact O-N 3.22Å; Q95-N99 VanDerWaalsContact O-N 3.15Å; Q95-N99 PolarHBondContact O-ND2 3.1Å; R97-N99 PolarHBondContact O-N 3.29Å; N99-Y101 PolarHBondContact O-N 3.32Å; N99-A102 WeakPolarHBondContact O-CB 3.46Å; N99-A102 PolarHBondContact O-N 2.84Å |
| 100 | I | 91.2 | Very high | 91.4 | Very high | 28 Ų | 28 | 66.8 Ų | 66.8 | 14% | 0.144 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.1 | -27.2 | -172 | -167.4 | 167.8 | 0 | 0 | 0 | 113.9 | C96 R97 A102 V103 Q104 L134 K135 | C96-I100 WeakPolarHBondContact O-CA 3.35Å; C96-I100 PolarHBondContact O-N 3.42Å; R97-I100 VanDerWaalsContact O-CB 3.3Å; R97-I100 WeakPolarHBondContact O-CB 3.4Å; R97-I100 WeakPolarHBondContact O-CG2 3.32Å; R97-I100 PolarHBondContact O-N 2.91Å; I100-A102 VanDerWaalsContact C-N 3.32Å; I100-A102 PolarHBondContact O-N 3.41Å; I100-V103 PolarHBondContact O-N 2.98Å; I100-V103 VanDerWaalsContact O-N 3.17Å; I100-Q104 HydrophobicContact CG1-CG 4.31Å; I100-Q104 WeakPolarHBondContact O-CG 3.14Å; I100-Q104 PolarHBondContact O-N 3.29Å; I100-L134 HydrophobicContact CD1-CB 4.32Å; I100-K135 HydrophobicContact CD1-CG 4.23Å |
| 101 | Y | 91.9 | Very high | 91.4 | Very high | 180 Ų | 180 | 62.3 Ų | 62.3 | 71% | 0.706 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -59.8 | -38.4 | 174.5 | -60.9 | -69.9 | 0 | 0 | 0 | 113.1 | N99 V103 Q104 T105 | N99-Y101 PolarHBondContact O-N 3.32Å; Y101-V103 VanDerWaalsContact C-N 3.26Å; Y101-V103 PolarHBondContact O-N 2.79Å; Y101-Q104 PolarHBondContact O-N 3.17Å; Y101-T105 PolarHBondContact O-N 2.81Å; Y101-T105 VanDerWaalsContact O-N 3.12Å |
| 102 | A | 90 | Very high | 91.3 | Very high | 41 Ų | 41 | 60.1 Ų | 60.1 | 34% | 0.339 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -70.2 | -21.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | W61 L64 N99 I100 T105 | W61-A102 HydrophobicContact CE3-CB 4.34Å; W61-A102 HydrophobicContact CZ3-CB 3.85Å; L64-A102 WeakPolarHBondContact CD2-O 3.26Å; N99-A102 WeakPolarHBondContact O-CB 3.46Å; N99-A102 PolarHBondContact O-N 2.84Å; I100-A102 VanDerWaalsContact C-N 3.32Å; I100-A102 PolarHBondContact O-N 3.41Å; A102-T105 PolarHBondContact O-OG1 3.3Å |
| 103 | V | 90 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -84.6 | -35.6 | 170.6 | -166.5 | 0 | 0 | 0 | 0 | 110.6 | W61 M78 M81 I100 Y101 L106 L130 V131 L134 | W61-V103 HydrophobicContact CH2-CG2 3.75Å; W61-V103 HydrophobicContact CZ3-CG2 3.92Å; M78-V103 HydrophobicContact CE-CG1 3.88Å; M81-V103 HydrophobicContact SD-CG2 4.38Å; I100-V103 PolarHBondContact O-N 2.98Å; I100-V103 VanDerWaalsContact O-N 3.17Å; Y101-V103 VanDerWaalsContact C-N 3.26Å; Y101-V103 PolarHBondContact O-N 2.79Å; V103-L106 PolarHBondContact O-N 3.09Å; V103-L130 HydrophobicContact CG1-CD2 3.83Å; V103-L130 HydrophobicContact CG1-CG 4.15Å; V103-V131 HydrophobicContact CB-CG2 4.2Å; V103-V131 HydrophobicContact CG1-CG2 3.84Å; V103-L134 HydrophobicContact CG2-CD1 4.44Å |
| 104 | Q | 92.1 | Very high | 90.9 | Very high | 50 Ų | 50 | 73 Ų | 73 | 23% | 0.234 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.9 | -35.1 | -179.4 | -78 | -178.2 | 102.9 | 0 | 0 | 113.6 | I100 Y101 L106 K107 V131 | I100-Q104 HydrophobicContact CG1-CG 4.31Å; I100-Q104 WeakPolarHBondContact O-CG 3.14Å; I100-Q104 PolarHBondContact O-N 3.29Å; Y101-Q104 PolarHBondContact O-N 3.17Å; Q104-L106 PolarHBondContact O-N 2.91Å; Q104-K107 HydrophobicContact CB-CD 4.45Å; Q104-K107 HydrophobicContact CG-CD 4.39Å; Q104-K107 VanDerWaalsContact O-CB 3.22Å; Q104-K107 WeakPolarHBondContact O-CB 3.39Å; Q104-K107 WeakPolarHBondContact O-CG 3.47Å; Q104-K107 PolarHBondContact O-N 3.26Å; Q104-V131 HydrophobicContact CG-CG1 3.89Å; Q104-V131 HydrophobicContact CG-CG2 3.76Å |
| 105 | T | 92.3 | Very high | 90.7 | Very high | 92 Ų | 92 | 75 Ų | 75 | 56% | 0.564 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -60.6 | -26.6 | 175 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | Y101 A102 K107 D108 | Y101-T105 PolarHBondContact O-N 2.81Å; Y101-T105 VanDerWaalsContact O-N 3.12Å; A102-T105 PolarHBondContact O-OG1 3.3Å; T105-K107 PolarHBondContact O-N 3.05Å; T105-D108 PolarHBondContact O-N 2.84Å |
| 106 | L | 90.9 | Very high | 90.6 | Very high | 6 Ų | 6 | 74.7 Ų | 74.7 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -73.2 | -13.1 | 176.4 | -62.3 | -171.2 | 0 | 0 | 0 | 114 | L64 V74 M78 V103 Q104 D108 F109 V123 A127 | L64-L106 HydrophobicContact CD1-CD1 4.43Å; L64-L106 HydrophobicContact CD2-CD1 3.45Å; L64-L106 VanDerWaalsContact CD2-CD1 3.45Å; L64-L106 HydrophobicContact CD2-CG 4.09Å; L64-L106 HydrophobicContact CG-CD1 3.62Å; V74-L106 HydrophobicContact CG1-CD1 3.61Å; V74-L106 HydrophobicContact CG1-CD2 4.01Å; V74-L106 HydrophobicContact CG1-CG 4.46Å; M78-L106 HydrophobicContact CE-CB 4.37Å; M78-L106 HydrophobicContact CE-CD1 3.94Å; M78-L106 HydrophobicContact CG-CD1 3.91Å; M78-L106 HydrophobicContact SD-CB 4.16Å; M78-L106 HydrophobicContact SD-CD1 3.5Å; M78-L106 WeakPolarHBondContact SD-CD1 3.32Å; V103-L106 PolarHBondContact O-N 3.09Å; Q104-L106 PolarHBondContact O-N 2.91Å; L106-D108 PolarHBondContact O-N 3.39Å; L106-F109 HydrophobicContact CD2-CB 4.45Å; L106-F109 HydrophobicContact CD2-CD2 3.98Å; L106-F109 VanDerWaalsContact O-CB 3.3Å; L106-F109 WeakPolarHBondContact O-CB 3.46Å; L106-F109 PolarHBondContact O-N 3.49Å; L106-V123 HydrophobicContact CB-CG1 4.42Å; L106-A127 HydrophobicContact CB-CB 3.82Å |
| 107 | K | 91.1 | Very high | 90.5 | Very high | 62 Ų | 62 | 80.6 Ų | 80.6 | 27% | 0.27 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -63.5 | -20.4 | 171.8 | -68 | 169.5 | 44.4 | -83.1 | 0 | 113.1 | Q104 T105 R124 A127 K128 V131 | Q104-K107 HydrophobicContact CB-CD 4.45Å; Q104-K107 HydrophobicContact CG-CD 4.39Å; Q104-K107 VanDerWaalsContact O-CB 3.22Å; Q104-K107 WeakPolarHBondContact O-CB 3.39Å; Q104-K107 WeakPolarHBondContact O-CG 3.47Å; Q104-K107 PolarHBondContact O-N 3.26Å; T105-K107 PolarHBondContact O-N 3.05Å; K107-R124 WeakPolarHBondContact O-CB 3.13Å; K107-R124 VanDerWaalsContact O-CD 3.3Å; K107-R124 WeakPolarHBondContact O-CD 3.29Å; K107-R124 WeakPolarHBondContact O-CG 3.38Å; K107-A127 HydrophobicContact CG-CB 3.98Å; K107-K128 HydrophobicContact CG-CG 4.24Å; K107-V131 HydrophobicContact CD-CB 4.47Å; K107-V131 HydrophobicContact CD-CG1 4.48Å; K107-V131 HydrophobicContact CD-CG2 4.26Å |
| 108 | D | 90.7 | Very high | 90.5 | Very high | 118 Ų | 118 | 79.3 Ų | 79.3 | 63% | 0.631 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -113.9 | 7.3 | -177.1 | -52.7 | -59 | 0 | 0 | 0 | 111.6 | T105 L106 Q110 | T105-D108 PolarHBondContact O-N 2.84Å; L106-D108 PolarHBondContact O-N 3.39Å; D108-Q110 PolarHBondContact O-N 3.25Å |
| 109 | F | 90.9 | Very high | 90.3 | Very high | 19 Ų | 19 | 76.4 Ų | 76.4 | 8% | 0.083 | 38% | 0.38 | C | S | . | . | trans | -57.4 | 120.3 | 178.1 | -177.2 | -83.8 | 0 | 0 | 0 | 112.3 | W71 V74 L106 V123 R124 | W71-F109 HydrophobicContact CB-CE1 3.87Å; W71-F109 HydrophobicContact CB-CZ 3.85Å; V74-F109 HydrophobicContact CG2-CE2 4.03Å; V74-F109 HydrophobicContact CG2-CZ 4.32Å; L106-F109 HydrophobicContact CD2-CB 4.45Å; L106-F109 HydrophobicContact CD2-CD2 3.98Å; L106-F109 VanDerWaalsContact O-CB 3.3Å; L106-F109 WeakPolarHBondContact O-CB 3.46Å; L106-F109 PolarHBondContact O-N 3.49Å; F109-V123 HydrophobicContact CB-CB 4.42Å; F109-V123 HydrophobicContact CB-CG1 3.91Å; F109-V123 HydrophobicContact CD1-CB 3.78Å; F109-V123 HydrophobicContact CD1-CG1 3.84Å; F109-V123 HydrophobicContact CD1-CG2 3.97Å; F109-V123 HydrophobicContact CD2-CG1 4.39Å; F109-V123 HydrophobicContact CE1-CB 4.35Å; F109-V123 HydrophobicContact CE1-CG1 4.49Å; F109-V123 HydrophobicContact CE1-CG2 4.02Å; F109-V123 HydrophobicContact CG-CB 4.23Å; F109-V123 HydrophobicContact CG-CG1 3.8Å; F109-R124 HydrophobicContact CB-CG 4.23Å; F109-R124 WeakPolarHBondContact O-CD 3.13Å; F109-R124 WeakPolarHBondContact O-CG 3.36Å; F109-R124 PolarHBondContact O-NE 2.84Å | ||
| 110 | Q | 89.3 | Confident | 90.3 | Very high | 132 Ų | 132 | 73.2 Ų | 73.2 | 62% | 0.617 | 36% | 0.363 | S | S | * | . | trans | -117.7 | 127.2 | 178.3 | -167.5 | 171.3 | 37.3 | 0 | 0 | 111.3 | D108 | D108-Q110 PolarHBondContact O-N 3.25Š| ||
| 111 | Y | 91.1 | Very high | 90.3 | Very high | 45 Ų | 45 | 76.1 Ų | 76.1 | 18% | 0.176 | 38% | 0.378 | C | S | . | . | trans | -145.1 | 108.6 | 165.4 | 178.7 | -104.6 | 0 | 0 | 0 | 109.8 | W71 D113 Q119 G120 | W71-Y111 HydrophobicContact CB-CD1 4.39Å; W71-Y111 AromaticContact CD1-CD1 3.24Å; W71-Y111 AromaticContact CD1-CE1 3.34Å; W71-Y111 AromaticContact CG-CD1 3.95Å; W71-Y111 HydrophobicContact CG-CD1 3.95Å; W71-Y111 HydrophobicContact CG-CE1 4.42Å; W71-Y111 AromaticContact NE1-CD1 3.76Å; W71-Y111 AromaticContact NE1-CE1 3.56Å; Y111-D113 HydrophobicContact CE1-CB 3.93Å; Y111-D113 PolarHBondContact OH-OD1 2.88Å; Y111-Q119 HydrophobicContact CD1-CB 4.12Å; Y111-Q119 HydrophobicContact CD1-CG 4.19Å; Y111-Q119 HydrophobicContact CE1-CG 4.42Å; Y111-Q119 PolarHBondContact O-N 3.23Å; Y111-G120 PolarHBondContact O-N 3.46Å | ||
| 112 | I | 89.8 | Confident | 90.2 | Very high | 94 Ų | 94 | 70.9 Ų | 70.9 | 48% | 0.482 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -90.4 | 121.5 | 169.1 | -56.2 | 175.8 | 0 | 0 | 0 | 106.8 | D118 | I112-D118 HydrophobicContact CG1-CB 4.43Å |
| 113 | D | 89.6 | Confident | 90.3 | Very high | 38 Ų | 38 | 68.9 Ų | 68.9 | 20% | 0.203 | 35% | 0.346 | C | S | . | . | trans | -74.2 | 169.6 | 179.5 | -144.9 | -27.4 | 0 | 0 | 0 | 111.3 | Y111 D115 G116 K117 Q119 | Y111-D113 HydrophobicContact CE1-CB 3.93Å; Y111-D113 PolarHBondContact OH-OD1 2.88Å; D113-D115 PolarHBondContact O-N 3.11Å; D113-D115 VanDerWaalsContact O-N 3.09Å; D113-G116 PolarHBondContact O-N 3.37Å; D113-K117 WeakPolarHBondContact CB-O 3.07Å; D113-K117 PolarHBondContact N-O 2.63Å; D113-Q119 HydrophobicContact CB-CG 4.04Å; D113-Q119 PolarHBondContact OD2-NE2 2.95Å | ||
| 114 | R | 86.8 | Confident | 90.5 | Very high | 240 Ų | 240 | 71.1 Ų | 71.1 | 91% | 0.906 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24.7 | -178.7 | -75 | -176.9 | 145.5 | -140 | -12.1 | 114.3 | G116 | R114-G116 VanDerWaalsContact C-N 3.26Å; R114-G116 PolarHBondContact O-N 3.29Å |
| 115 | D | 89 | Confident | 90.6 | Very high | 118 Ų | 118 | 73.7 Ų | 73.7 | 63% | 0.631 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 10.8 | 176.5 | -49.1 | -38.9 | 0 | 0 | 0 | 113.2 | D113 K117 | D113-D115 PolarHBondContact O-N 3.11Å; D113-D115 VanDerWaalsContact O-N 3.09Å; D115-K117 VanDerWaalsContact C-N 3.25Å; D115-K117 HydrophobicContact CB-CD 4.15Å; D115-K117 HydrophobicContact CB-CG 4.26Å; D115-K117 PolarHBondContact O-N 2.82Å |
| 116 | G | 88.8 | Confident | 90.6 | Very high | 58 Ų | 58 | 70.5 Ų | 70.5 | 60% | 0.598 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 76.6 | 3.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D113 R114 | D113-G116 PolarHBondContact O-N 3.37Å; R114-G116 VanDerWaalsContact C-N 3.26Å; R114-G116 PolarHBondContact O-N 3.29Å |
| 117 | K | 89.6 | Confident | 90.8 | Very high | 124 Ų | 124 | 70.2 Ų | 70.2 | 54% | 0.539 | 34% | 0.343 | S | S | . | . | trans | -83.9 | 123.5 | -176 | -64.7 | 171.6 | -176 | 164.7 | 0 | 111.5 | D113 D115 Q119 | D113-K117 WeakPolarHBondContact CB-O 3.07Å; D113-K117 PolarHBondContact N-O 2.63Å; D115-K117 VanDerWaalsContact C-N 3.25Å; D115-K117 HydrophobicContact CB-CD 4.15Å; D115-K117 HydrophobicContact CB-CG 4.26Å; D115-K117 PolarHBondContact O-N 2.82Å; K117-Q119 PolarHBondContact O-N 3.07Å; K117-Q119 VanDerWaalsContact O-N 3.14Å | ||
| 118 | D | 91.8 | Very high | 90.9 | Very high | 53 Ų | 53 | 73 Ų | 73 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -78 | 95.7 | 175.3 | -167.4 | -30.4 | 0 | 0 | 0 | 111.1 | I112 G120 L121 R124 | I112-D118 HydrophobicContact CG1-CB 4.43Å; D118-G120 VanDerWaalsContact C-N 3.25Å; D118-G120 WeakPolarHBondContact OD1-CA 3.12Å; D118-G120 PolarHBondContact OD1-N 3.4Å; D118-L121 PolarHBondContact OD1-N 3.49Å; D118-R124 IonicContact OD1-CZ 2.83Å; D118-R124 IonicContact OD1-NH2 3.03Å; D118-R124 PolarHBondContact OD1-NH2 3.42Å; D118-R124 VanDerWaalsContact OD1-NH2 3.09Å; D118-R124 IonicContact OD2-CZ 3.45Å; D118-R124 IonicContact OD2-NH1 2.85Å; D118-R124 IonicContact OD2-NH2 2.66Å; D118-R124 PolarHBondContact OD2-NH2 3.14Å |
| 119 | Q | 89 | Confident | 91 | Very high | 39 Ų | 39 | 72.5 Ų | 72.5 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -15.5 | 173.6 | -47.9 | -77.6 | 4.9 | 0 | 0 | 111.6 | W71 Y111 D113 K117 L121 | W71-Q119 HydrophobicContact CD2-CB 3.74Å; W71-Q119 HydrophobicContact CD2-CG 4.33Å; W71-Q119 HydrophobicContact CE3-CB 4.07Å; W71-Q119 HydrophobicContact CG-CB 4.2Å; W71-Q119 HydrophobicContact CH2-CB 4.16Å; W71-Q119 HydrophobicContact CH2-CG 4.29Å; W71-Q119 HydrophobicContact CZ2-CB 3.84Å; W71-Q119 HydrophobicContact CZ2-CG 3.65Å; W71-Q119 HydrophobicContact CZ3-CB 4.28Å; Y111-Q119 HydrophobicContact CD1-CB 4.12Å; Y111-Q119 HydrophobicContact CD1-CG 4.19Å; Y111-Q119 HydrophobicContact CE1-CG 4.42Å; Y111-Q119 PolarHBondContact O-N 3.23Å; D113-Q119 HydrophobicContact CB-CG 4.04Å; D113-Q119 PolarHBondContact OD2-NE2 2.95Å; K117-Q119 PolarHBondContact O-N 3.07Å; K117-Q119 VanDerWaalsContact O-N 3.14Å; Q119-L121 VanDerWaalsContact C-N 3.28Å; Q119-L121 PolarHBondContact O-N 3.03Å |
| 120 | G | 89.8 | Confident | 91.1 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.5 | -25.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y111 D118 N122 V123 R124 | Y111-G120 PolarHBondContact O-N 3.46Å; D118-G120 VanDerWaalsContact C-N 3.25Å; D118-G120 WeakPolarHBondContact OD1-CA 3.12Å; D118-G120 PolarHBondContact OD1-N 3.4Å; G120-N122 VanDerWaalsContact C-N 3.33Å; G120-N122 PolarHBondContact O-N 2.67Å; G120-V123 WeakPolarHBondContact O-CB 3.3Å; G120-V123 PolarHBondContact O-N 2.77Å; G120-R124 WeakPolarHBondContact O-CG 3.33Å; G120-R124 PolarHBondContact O-N 3.36Å |
| 121 | L | 91.6 | Very high | 91.3 | Very high | 89 Ų | 89 | 65.8 Ų | 65.8 | 47% | 0.466 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -49.6 | -51.6 | 173.2 | -168.5 | 157.9 | 0 | 0 | 0 | 111.9 | D118 Q119 V123 R124 E125 | D118-L121 PolarHBondContact OD1-N 3.49Å; Q119-L121 VanDerWaalsContact C-N 3.28Å; Q119-L121 PolarHBondContact O-N 3.03Å; L121-V123 VanDerWaalsContact C-N 3.28Å; L121-V123 PolarHBondContact O-N 3.46Å; L121-R124 PolarHBondContact O-N 2.9Å; L121-E125 PolarHBondContact O-N 2.96Å |
| 122 | N | 91 | Very high | 91.4 | Very high | 70 Ų | 70 | 68 Ų | 68 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.4 | -35.4 | 178.7 | -62.8 | -35.4 | 0 | 0 | 0 | 112.9 | Y75 G120 K126 | Y75-N122 HydrophobicContact CD2-CB 4.15Å; Y75-N122 HydrophobicContact CE2-CB 3.94Å; G120-N122 VanDerWaalsContact C-N 3.33Å; G120-N122 PolarHBondContact O-N 2.67Å; N122-K126 VanDerWaalsContact O-CB 3.28Å; N122-K126 WeakPolarHBondContact O-CB 3.28Å; N122-K126 PolarHBondContact O-N 3.27Å |
| 123 | V | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.3 | -46.5 | 176.5 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | V74 Y75 M78 L106 F109 G120 L121 K126 A127 | V74-V123 HydrophobicContact CG1-CG1 3.78Å; Y75-V123 HydrophobicContact CD2-CG2 4.36Å; M78-V123 HydrophobicContact SD-CG1 4.07Å; L106-V123 HydrophobicContact CB-CG1 4.42Å; F109-V123 HydrophobicContact CB-CB 4.42Å; F109-V123 HydrophobicContact CB-CG1 3.91Å; F109-V123 HydrophobicContact CD1-CB 3.78Å; F109-V123 HydrophobicContact CD1-CG1 3.84Å; F109-V123 HydrophobicContact CD1-CG2 3.97Å; F109-V123 HydrophobicContact CD2-CG1 4.39Å; F109-V123 HydrophobicContact CE1-CB 4.35Å; F109-V123 HydrophobicContact CE1-CG1 4.49Å; F109-V123 HydrophobicContact CE1-CG2 4.02Å; F109-V123 HydrophobicContact CG-CB 4.23Å; F109-V123 HydrophobicContact CG-CG1 3.8Å; G120-V123 WeakPolarHBondContact O-CB 3.3Å; G120-V123 PolarHBondContact O-N 2.77Å; L121-V123 VanDerWaalsContact C-N 3.28Å; L121-V123 PolarHBondContact O-N 3.46Å; V123-K126 PolarHBondContact O-N 2.6Å; V123-A127 VanDerWaalsContact O-CB 3.31Å; V123-A127 WeakPolarHBondContact O-CB 3.36Å; V123-A127 PolarHBondContact O-N 3.15Å |
| 124 | R | 94.1 | Very high | 91.6 | Very high | 47 Ų | 47 | 62.5 Ų | 62.5 | 18% | 0.177 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.6 | -40.4 | -178.9 | -67.7 | -177.8 | -69 | -141.9 | -4.1 | 112.7 | K107 F109 D118 G120 L121 A127 K128 | K107-R124 WeakPolarHBondContact O-CB 3.13Å; K107-R124 VanDerWaalsContact O-CD 3.3Å; K107-R124 WeakPolarHBondContact O-CD 3.29Å; K107-R124 WeakPolarHBondContact O-CG 3.38Å; F109-R124 HydrophobicContact CB-CG 4.23Å; F109-R124 WeakPolarHBondContact O-CD 3.13Å; F109-R124 WeakPolarHBondContact O-CG 3.36Å; F109-R124 PolarHBondContact O-NE 2.84Å; D118-R124 IonicContact OD1-CZ 2.83Å; D118-R124 IonicContact OD1-NH2 3.03Å; D118-R124 PolarHBondContact OD1-NH2 3.42Å; D118-R124 VanDerWaalsContact OD1-NH2 3.09Å; D118-R124 IonicContact OD2-CZ 3.45Å; D118-R124 IonicContact OD2-NH1 2.85Å; D118-R124 IonicContact OD2-NH2 2.66Å; D118-R124 PolarHBondContact OD2-NH2 3.14Å; G120-R124 WeakPolarHBondContact O-CG 3.33Å; G120-R124 PolarHBondContact O-N 3.36Å; L121-R124 PolarHBondContact O-N 2.9Å; R124-A127 PolarHBondContact O-N 3.27Å; R124-K128 VanDerWaalsContact O-CG 3.29Å; R124-K128 WeakPolarHBondContact O-CG 3.5Å; R124-K128 PolarHBondContact O-N 2.93Å |
| 125 | E | 93.8 | Very high | 91.7 | Very high | 103 Ų | 103 | 57.9 Ų | 57.9 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 175.6 | 179.9 | 156.2 | -142.1 | 0 | 0 | 111.3 | L121 A127 K128 Q129 | L121-E125 PolarHBondContact O-N 2.96Å; E125-A127 VanDerWaalsContact C-N 3.28Å; E125-A127 PolarHBondContact O-N 3.34Å; E125-K128 WeakPolarHBondContact O-CB 2.97Å; E125-K128 PolarHBondContact O-N 3.21Å; E125-K128 VanDerWaalsContact O-N 3.12Å; E125-Q129 WeakPolarHBondContact O-CG 3.3Å; E125-Q129 PolarHBondContact O-N 2.7Å |
| 126 | K | 91.9 | Very high | 91.9 | Very high | 25 Ų | 25 | 55.6 Ų | 55.6 | 11% | 0.109 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -36.1 | 174.8 | -170.2 | 133 | -164.5 | 159.4 | 0 | 112.6 | Y75 M78 T79 E82 N122 V123 Q129 L130 | Y75-K126 HydrophobicContact CE2-CB 4.32Å; Y75-K126 HydrophobicContact CE2-CD 3.93Å; M78-K126 HydrophobicContact CB-CG 4.16Å; T79-K126 WeakPolarHBondContact OG1-CE 3.37Å; T79-K126 PolarHBondContact OG1-NZ 2.84Å; E82-K126 WeakPolarHBondContact OE2-CE 3.37Å; E82-K126 IonicContact OE2-NZ 2.76Å; E82-K126 PolarHBondContact OE2-NZ 3.4Å; N122-K126 VanDerWaalsContact O-CB 3.28Å; N122-K126 WeakPolarHBondContact O-CB 3.28Å; N122-K126 PolarHBondContact O-N 3.27Å; V123-K126 PolarHBondContact O-N 2.6Å; K126-Q129 PolarHBondContact O-N 3.42Å; K126-L130 VanDerWaalsContact O-CB 3.3Å; K126-L130 WeakPolarHBondContact O-CB 3.44Å; K126-L130 PolarHBondContact O-N 2.89Å |
| 127 | A | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | M78 L106 K107 V123 R124 E125 V131 | M78-A127 VanDerWaalsContact CE-CA 3.47Å; M78-A127 HydrophobicContact CE-CB 3.64Å; M78-A127 HydrophobicContact SD-CB 4.05Å; L106-A127 HydrophobicContact CB-CB 3.82Å; K107-A127 HydrophobicContact CG-CB 3.98Å; V123-A127 VanDerWaalsContact O-CB 3.31Å; V123-A127 WeakPolarHBondContact O-CB 3.36Å; V123-A127 PolarHBondContact O-N 3.15Å; R124-A127 PolarHBondContact O-N 3.27Å; E125-A127 VanDerWaalsContact C-N 3.28Å; E125-A127 PolarHBondContact O-N 3.34Å; A127-V131 WeakPolarHBondContact O-CB 2.97Å; A127-V131 VanDerWaalsContact O-CG2 3.23Å; A127-V131 WeakPolarHBondContact O-CG2 3.42Å; A127-V131 PolarHBondContact O-N 2.86Å |
| 128 | K | 94.4 | Very high | 91.8 | Very high | 121 Ų | 121 | 57.1 Ų | 57.1 | 53% | 0.526 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62 | -50.1 | 172.3 | -70.1 | 165.7 | -174 | 179.5 | 0 | 110.8 | K107 R124 E125 L130 V131 T132 | K107-K128 HydrophobicContact CG-CG 4.24Å; R124-K128 VanDerWaalsContact O-CG 3.29Å; R124-K128 WeakPolarHBondContact O-CG 3.5Å; R124-K128 PolarHBondContact O-N 2.93Å; E125-K128 WeakPolarHBondContact O-CB 2.97Å; E125-K128 PolarHBondContact O-N 3.21Å; E125-K128 VanDerWaalsContact O-N 3.12Å; K128-L130 PolarHBondContact O-N 3.33Å; K128-V131 PolarHBondContact O-N 3.47Å; K128-T132 PolarHBondContact O-N 3.23Å; K128-T132 PolarHBondContact O-OG1 3.48Å; K128-T132 VanDerWaalsContact O-OG1 3.11Å |
| 129 | Q | 93.4 | Very high | 91.8 | Very high | 108 Ų | 108 | 59.2 Ų | 59.2 | 51% | 0.505 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.9 | -48.3 | 178 | -68.7 | 170.4 | -2.1 | 0 | 0 | 111.8 | E125 K126 T132 L133 | E125-Q129 WeakPolarHBondContact O-CG 3.3Å; E125-Q129 PolarHBondContact O-N 2.7Å; K126-Q129 PolarHBondContact O-N 3.42Å; Q129-T132 PolarHBondContact O-N 3.32Å; Q129-L133 PolarHBondContact O-N 3.46Å |
| 130 | L | 92.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67 | -39.4 | -179.1 | -172.8 | 59 | 0 | 0 | 0 | 113 | M78 M81 E82 I85 V103 K126 K128 L133 L134 | M78-L130 HydrophobicContact CE-CB 4.45Å; M78-L130 HydrophobicContact CE-CD2 3.77Å; M81-L130 HydrophobicContact CG-CD2 4.23Å; M81-L130 HydrophobicContact SD-CD2 4.15Å; E82-L130 HydrophobicContact CB-CD1 4.09Å; E82-L130 HydrophobicContact CG-CD1 4.26Å; I85-L130 HydrophobicContact CD1-CD1 3.72Å; V103-L130 HydrophobicContact CG1-CD2 3.83Å; V103-L130 HydrophobicContact CG1-CG 4.15Å; K126-L130 VanDerWaalsContact O-CB 3.3Å; K126-L130 WeakPolarHBondContact O-CB 3.44Å; K126-L130 PolarHBondContact O-N 2.89Å; K128-L130 PolarHBondContact O-N 3.33Å; L130-L133 PolarHBondContact O-N 3.28Å; L130-L134 HydrophobicContact CD1-CD1 4.4Å; L130-L134 HydrophobicContact CG-CD1 4.1Å; L130-L134 WeakPolarHBondContact O-CB 3.48Å; L130-L134 WeakPolarHBondContact O-CG 3.33Å; L130-L134 PolarHBondContact O-N 2.85Å |
| 131 | V | 93 | Very high | 91.9 | Very high | 7 Ų | 7 | 63.1 Ų | 63.1 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.7 | -35.5 | 175.9 | 168.8 | 0 | 0 | 0 | 0 | 111.7 | V103 Q104 K107 A127 K128 K135 | V103-V131 HydrophobicContact CB-CG2 4.2Å; V103-V131 HydrophobicContact CG1-CG2 3.84Å; Q104-V131 HydrophobicContact CG-CG1 3.89Å; Q104-V131 HydrophobicContact CG-CG2 3.76Å; K107-V131 HydrophobicContact CD-CB 4.47Å; K107-V131 HydrophobicContact CD-CG1 4.48Å; K107-V131 HydrophobicContact CD-CG2 4.26Å; A127-V131 WeakPolarHBondContact O-CB 2.97Å; A127-V131 VanDerWaalsContact O-CG2 3.23Å; A127-V131 WeakPolarHBondContact O-CG2 3.42Å; A127-V131 PolarHBondContact O-N 2.86Å; K128-V131 PolarHBondContact O-N 3.47Å; V131-K135 HydrophobicContact CG1-CD 4.33Å; V131-K135 WeakPolarHBondContact O-CG 3.49Å; V131-K135 PolarHBondContact O-N 3Å |
| 132 | T | 93.7 | Very high | 91.9 | Very high | 91 Ų | 91 | 65 Ų | 65 | 56% | 0.558 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.9 | -47.3 | 172.5 | -62.4 | 0 | 0 | 0 | 0 | 110.8 | K128 Q129 L134 K135 D136 | K128-T132 PolarHBondContact O-N 3.23Å; K128-T132 PolarHBondContact O-OG1 3.48Å; K128-T132 VanDerWaalsContact O-OG1 3.11Å; Q129-T132 PolarHBondContact O-N 3.32Å; T132-L134 VanDerWaalsContact C-N 3.33Å; T132-L134 PolarHBondContact O-N 3.06Å; T132-K135 PolarHBondContact O-N 3.32Å; T132-D136 PolarHBondContact O-N 2.91Å |
| 133 | L | 91.6 | Very high | 91.8 | Very high | 13 Ų | 13 | 64.6 Ų | 64.6 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 177.4 | -174 | 65.4 | 0 | 0 | 0 | 112.7 | K86 Q129 L130 K135 L140 E143 | K86-L133 VanDerWaalsContact CE-CD2 3.46Å; K86-L133 HydrophobicContact CG-CD2 4.33Å; Q129-L133 PolarHBondContact O-N 3.46Å; L130-L133 PolarHBondContact O-N 3.28Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 3.37Å; L133-L140 HydrophobicContact CD1-CB 4.16Å; L133-L140 HydrophobicContact CG-CB 4.48Å; L133-L140 HydrophobicContact CG-CD1 4.45Å; L133-L140 HydrophobicContact CG-CG 4.47Å; L133-L140 WeakPolarHBondContact O-CD1 3.17Å; L133-E143 HydrophobicContact CD1-CB 4.36Å; L133-E143 HydrophobicContact CD1-CG 4.01Å |
| 134 | L | 90.3 | Very high | 91.8 | Very high | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -74.7 | -15.7 | 178.3 | -76.2 | 168.8 | 0 | 0 | 0 | 114.5 | I85 C96 R97 I100 V103 L130 T132 L140 | I85-L134 HydrophobicContact CD1-CD1 4.41Å; I85-L134 HydrophobicContact CD1-CD2 3.86Å; I85-L134 HydrophobicContact CD1-CG 4.31Å; C96-L134 HydrophobicContact CB-CD1 3.86Å; C96-L134 HydrophobicContact CB-CD2 3.63Å; C96-L134 HydrophobicContact CB-CG 4.43Å; R97-L134 HydrophobicContact CG-CD2 4.05Å; I100-L134 HydrophobicContact CD1-CB 4.32Å; V103-L134 HydrophobicContact CG2-CD1 4.44Å; L130-L134 HydrophobicContact CD1-CD1 4.4Å; L130-L134 HydrophobicContact CG-CD1 4.1Å; L130-L134 WeakPolarHBondContact O-CB 3.48Å; L130-L134 WeakPolarHBondContact O-CG 3.33Å; L130-L134 PolarHBondContact O-N 2.85Å; T132-L134 VanDerWaalsContact C-N 3.33Å; T132-L134 PolarHBondContact O-N 3.06Å; L134-L140 HydrophobicContact CD2-CD1 4.28Å |
| 135 | K | 90.8 | Very high | 91.5 | Very high | 144 Ų | 144 | 69.3 Ų | 69.3 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -87.5 | -29.8 | 176.3 | -77.9 | 178.8 | 176.9 | -168.6 | 0 | 113.1 | I100 V131 T132 L133 | I100-K135 HydrophobicContact CD1-CG 4.23Å; V131-K135 HydrophobicContact CG1-CD 4.33Å; V131-K135 WeakPolarHBondContact O-CG 3.49Å; V131-K135 PolarHBondContact O-N 3Å; T132-K135 PolarHBondContact O-N 3.32Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 3.37Å |
| 136 | D | 91.3 | Very high | 91.3 | Very high | 69 Ų | 69 | 70.5 Ų | 70.5 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | trans | -103.3 | 92.6 | -177.5 | -174.2 | -16.3 | 0 | 0 | 0 | 109.7 | T132 E138 K139 L140 | T132-D136 PolarHBondContact O-N 2.91Å; D136-E138 VanDerWaalsContact C-N 3.29Å; D136-E138 PolarHBondContact O-N 2.86Å; D136-E138 PolarHBondContact OD1-N 3.45Å; D136-K139 HydrophobicContact CB-CB 4.08Å; D136-K139 WeakPolarHBondContact OD1-CB 3.4Å; D136-K139 PolarHBondContact OD1-N 2.86Å; D136-K139 VanDerWaalsContact OD2-CB 3.27Å; D136-K139 WeakPolarHBondContact OD2-CB 3.25Å; D136-L140 VanDerWaalsContact O-CB 3.24Å; D136-L140 WeakPolarHBondContact O-CB 3.5Å; D136-L140 PolarHBondContact O-N 2.67Å | ||
| 137 | E | 88.1 | Confident | 91.1 | Very high | 87 Ų | 87 | 70.3 Ų | 70.3 | 41% | 0.407 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.8 | -32.9 | -178.6 | -166.6 | -169.3 | 110.7 | 0 | 0 | 112.2 | R97 L140 R141 | R97-E137 IonicContact CZ-OE2 3.73Å; R97-E137 IonicContact NH1-OE2 3.65Å; R97-E137 PolarHBondContact NH1-OE2 3.44Å; R97-E137 IonicContact NH2-OE2 2.72Å; R97-E137 PolarHBondContact NH2-OE2 2.83Å; E137-L140 PolarHBondContact O-N 3.18Å; E137-R141 WeakPolarHBondContact O-CB 3.5Å; E137-R141 PolarHBondContact O-N 3.41Å; E137-R141 IonicContact OE1-CZ 3.97Å; E137-R141 IonicContact OE1-NH2 3.53Å; E137-R141 PolarHBondContact OE1-NH2 3.07Å |
| 138 | E | 89.4 | Confident | 90.7 | Very high | 127 Ų | 127 | 73.3 Ų | 73.3 | 59% | 0.593 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -68.1 | -51.1 | -178.7 | -176.3 | 152.7 | -118.4 | 0 | 0 | 110.5 | D136 L140 R141 E142 | D136-E138 VanDerWaalsContact C-N 3.29Å; D136-E138 PolarHBondContact O-N 2.86Å; D136-E138 PolarHBondContact OD1-N 3.45Å; E138-L140 VanDerWaalsContact C-N 3.3Å; E138-L140 PolarHBondContact O-N 2.82Å; E138-R141 WeakPolarHBondContact O-CA 3.45Å; E138-R141 VanDerWaalsContact O-CB 3.28Å; E138-R141 WeakPolarHBondContact O-CB 3.38Å; E138-R141 PolarHBondContact O-N 3.47Å; E138-E142 PolarHBondContact O-N 2.89Å |
| 139 | K | 90.9 | Very high | 90.5 | Very high | 97 Ų | 97 | 73.9 Ų | 73.9 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 172.6 | -176.1 | 167.9 | -176.1 | 162.1 | 0 | 112.9 | D136 R141 E142 E143 | D136-K139 HydrophobicContact CB-CB 4.08Å; D136-K139 WeakPolarHBondContact OD1-CB 3.4Å; D136-K139 PolarHBondContact OD1-N 2.86Å; D136-K139 VanDerWaalsContact OD2-CB 3.27Å; D136-K139 WeakPolarHBondContact OD2-CB 3.25Å; K139-R141 VanDerWaalsContact C-N 3.28Å; K139-R141 PolarHBondContact O-N 2.96Å; K139-E142 PolarHBondContact O-N 3.38Å; K139-E143 HydrophobicContact CG-CG 4.27Å; K139-E143 WeakPolarHBondContact O-CB 3.34Å; K139-E143 VanDerWaalsContact O-CG 3.31Å; K139-E143 WeakPolarHBondContact O-CG 3.2Å; K139-E143 PolarHBondContact O-N 3.18Å |
| 140 | L | 91.3 | Very high | 90.1 | Very high | 14 Ų | 14 | 71.5 Ų | 71.5 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 174.4 | -174.8 | 155.8 | 0 | 0 | 0 | 111.3 | I85 A93 L133 L134 D136 E137 E138 R144 | I85-L140 HydrophobicContact CG2-CD1 3.66Å; I85-L140 HydrophobicContact CG2-CD2 4.31Å; I85-L140 HydrophobicContact CG2-CG 3.97Å; A93-L140 HydrophobicContact CB-CD1 4.33Å; A93-L140 HydrophobicContact CB-CD2 4.25Å; L133-L140 HydrophobicContact CD1-CB 4.16Å; L133-L140 HydrophobicContact CG-CB 4.48Å; L133-L140 HydrophobicContact CG-CD1 4.45Å; L133-L140 HydrophobicContact CG-CG 4.47Å; L133-L140 WeakPolarHBondContact O-CD1 3.17Å; L134-L140 HydrophobicContact CD2-CD1 4.28Å; D136-L140 VanDerWaalsContact O-CB 3.24Å; D136-L140 WeakPolarHBondContact O-CB 3.5Å; D136-L140 PolarHBondContact O-N 2.67Å; E137-L140 PolarHBondContact O-N 3.18Å; E138-L140 VanDerWaalsContact C-N 3.3Å; E138-L140 PolarHBondContact O-N 2.82Å; L140-R144 WeakPolarHBondContact O-CB 3.41Å; L140-R144 PolarHBondContact O-N 3.09Å |
| 141 | R | 89.5 | Confident | 89.6 | Confident | 108 Ų | 108 | 73.4 Ų | 73.4 | 41% | 0.408 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.8 | -42.9 | 176.2 | -156.6 | -177.1 | -53.7 | 112.5 | -0.2 | 111.6 | E137 E138 K139 R144 I145 | E137-R141 WeakPolarHBondContact O-CB 3.5Å; E137-R141 PolarHBondContact O-N 3.41Å; E137-R141 IonicContact OE1-CZ 3.97Å; E137-R141 IonicContact OE1-NH2 3.53Å; E137-R141 PolarHBondContact OE1-NH2 3.07Å; E138-R141 WeakPolarHBondContact O-CA 3.45Å; E138-R141 VanDerWaalsContact O-CB 3.28Å; E138-R141 WeakPolarHBondContact O-CB 3.38Å; E138-R141 PolarHBondContact O-N 3.47Å; K139-R141 VanDerWaalsContact C-N 3.28Å; K139-R141 PolarHBondContact O-N 2.96Å; R141-R144 PolarHBondContact O-N 3.08Å; R141-I145 VanDerWaalsContact O-CG1 3.3Å; R141-I145 WeakPolarHBondContact O-CG1 3Å; R141-I145 PolarHBondContact O-N 3.34Å |
| 142 | E | 91.3 | Very high | 89.1 | Confident | 127 Ų | 127 | 78.5 Ų | 78.5 | 59% | 0.593 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.9 | -51.2 | 174.7 | -66.7 | -177.5 | 150.6 | 0 | 0 | 112.4 | E138 K139 R144 I145 H146 | E138-E142 PolarHBondContact O-N 2.89Å; K139-E142 PolarHBondContact O-N 3.38Å; E142-R144 PolarHBondContact O-N 2.97Å; E142-I145 PolarHBondContact O-N 2.91Å; E142-I145 VanDerWaalsContact O-N 3.14Å; E142-H146 WeakPolarHBondContact O-CB 3.47Å; E142-H146 PolarHBondContact O-N 3.48Å |
| 143 | E | 90.3 | Very high | 88.7 | Confident | 62 Ų | 62 | 80.7 Ų | 80.7 | 29% | 0.29 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -55.3 | -37.9 | 175.2 | -77.7 | -100.4 | 176.7 | 0 | 0 | 111.3 | K86 L133 K139 A147 | K86-E143 WeakPolarHBondContact CE-OE2 3.42Å; K86-E143 IonicContact NZ-OE2 3.09Å; K86-E143 PolarHBondContact NZ-OE2 3.26Å; L133-E143 HydrophobicContact CD1-CB 4.36Å; L133-E143 HydrophobicContact CD1-CG 4.01Å; K139-E143 HydrophobicContact CG-CG 4.27Å; K139-E143 WeakPolarHBondContact O-CB 3.34Å; K139-E143 VanDerWaalsContact O-CG 3.31Å; K139-E143 WeakPolarHBondContact O-CG 3.2Å; K139-E143 PolarHBondContact O-N 3.18Å; E143-A147 WeakPolarHBondContact O-CB 3.38Å; E143-A147 PolarHBondContact O-N 3.4Å |
| 144 | R | 91.4 | Very high | 87.9 | Confident | 34 Ų | 34 | 86.2 Ų | 86.2 | 13% | 0.128 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.9 | -44.4 | 176.9 | 178.9 | 175.5 | -178.5 | 76 | 11.8 | 112.5 | I85 K86 G88 L140 R141 E142 L148 | I85-R144 PolarHBondContact O-NH1 3.06Å; K86-R144 WeakPolarHBondContact O-CA 3.24Å; G88-R144 PolarHBondContact O-NH1 3.38Å; G88-R144 PolarHBondContact O-NH2 2.88Å; L140-R144 WeakPolarHBondContact O-CB 3.41Å; L140-R144 PolarHBondContact O-N 3.09Å; R141-R144 PolarHBondContact O-N 3.08Å; E142-R144 PolarHBondContact O-N 2.97Å; R144-L148 HydrophobicContact CG-CD1 4.06Å; R144-L148 WeakPolarHBondContact O-CB 3.35Å; R144-L148 VanDerWaalsContact O-CG 3.22Å; R144-L148 WeakPolarHBondContact O-CG 3.48Å; R144-L148 PolarHBondContact O-N 3.32Å |
| 145 | I | 88.6 | Confident | 87.2 | Confident | 113 Ų | 113 | 88.6 Ų | 88.6 | 58% | 0.579 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.9 | -46.4 | 173.7 | -68.8 | 161.8 | 0 | 0 | 0 | 110.2 | R141 E142 K149 | R141-I145 VanDerWaalsContact O-CG1 3.3Å; R141-I145 WeakPolarHBondContact O-CG1 3Å; R141-I145 PolarHBondContact O-N 3.34Å; E142-I145 PolarHBondContact O-N 2.91Å; E142-I145 VanDerWaalsContact O-N 3.14Å; I145-K149 WeakPolarHBondContact O-CB 3.39Å; I145-K149 PolarHBondContact O-N 3.2Å |
| 146 | H | 88.9 | Confident | 86.2 | Confident | 128 Ų | 128 | 87 Ų | 87 | 59% | 0.593 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.1 | -43.6 | 179.4 | -176 | -106 | 0 | 0 | 0 | 112.9 | E142 T150 | E142-H146 WeakPolarHBondContact O-CB 3.47Å; E142-H146 PolarHBondContact O-N 3.48Å; H146-T150 WeakPolarHBondContact O-CB 3.38Å; H146-T150 PolarHBondContact O-N 3.05Å; H146-T150 PolarHBondContact O-OG1 3Å |
| 147 | A | 87.2 | Confident | 84.8 | Confident | 21 Ų | 21 | 88.2 Ų | 88.2 | 17% | 0.174 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | K86 T87 E143 T150 K151 | K86-A147 HydrophobicContact CB-CB 4.04Å; T87-A147 HydrophobicContact CG2-CB 3.87Å; E143-A147 WeakPolarHBondContact O-CB 3.38Å; E143-A147 PolarHBondContact O-N 3.4Å; A147-T150 PolarHBondContact O-N 3.39Å; A147-K151 WeakPolarHBondContact O-CB 3.29Å; A147-K151 PolarHBondContact O-N 2.96Å |
| 148 | L | 87.1 | Confident | 83.3 | Confident | 62 Ų | 62 | 88.6 Ų | 88.6 | 33% | 0.325 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.6 | -46.6 | 174.8 | -72.3 | 170.9 | 0 | 0 | 0 | 111.7 | R144 T150 K151 E152 | R144-L148 HydrophobicContact CG-CD1 4.06Å; R144-L148 WeakPolarHBondContact O-CB 3.35Å; R144-L148 VanDerWaalsContact O-CG 3.22Å; R144-L148 WeakPolarHBondContact O-CG 3.48Å; R144-L148 PolarHBondContact O-N 3.32Å; L148-T150 PolarHBondContact O-N 3.46Å; L148-K151 PolarHBondContact O-N 2.89Å; L148-E152 WeakPolarHBondContact O-CB 3.39Å; L148-E152 PolarHBondContact O-N 3.38Å |
| 149 | K | 88.9 | Confident | 81.5 | Confident | 134 Ų | 134 | 86.4 Ų | 86.4 | 58% | 0.583 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -58.9 | -35.6 | 174.4 | -169.9 | 173.1 | -174.4 | 174.8 | 0 | 112 | I145 K153 | I145-K149 WeakPolarHBondContact O-CB 3.39Å; I145-K149 PolarHBondContact O-N 3.2Å; K149-K153 WeakPolarHBondContact O-CG 3.46Å; K149-K153 PolarHBondContact O-N 3.45Å; K149-K153 VanDerWaalsContact O-N 3.17Å |
| 150 | T | 85.9 | Confident | 79.4 | Confident | 58 Ų | 58 | 85.1 Ų | 85.1 | 36% | 0.356 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -72.6 | -43 | 175.3 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | H146 A147 L148 E152 K153 M154 | H146-T150 WeakPolarHBondContact O-CB 3.38Å; H146-T150 PolarHBondContact O-N 3.05Å; H146-T150 PolarHBondContact O-OG1 3Å; A147-T150 PolarHBondContact O-N 3.39Å; L148-T150 PolarHBondContact O-N 3.46Å; T150-E152 VanDerWaalsContact C-N 3.33Å; T150-E152 PolarHBondContact O-N 3.09Å; T150-K153 PolarHBondContact O-N 3Å; T150-M154 PolarHBondContact O-N 3.46Å; T150-M154 VanDerWaalsContact O-N 3.09Å |
| 151 | K | 82.8 | Confident | 77.3 | Confident | 41 Ų | 41 | 89 Ų | 89 | 18% | 0.178 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 174.8 | -179.3 | -177.5 | 176.5 | 179.9 | 0 | 110.8 | D45 A147 L148 M154 A155 | D45-K151 IonicContact OD1-NZ 3.79Å; D45-K151 PolarHBondContact OD1-NZ 3.11Å; D45-K151 IonicContact OD2-NZ 3.03Å; D45-K151 PolarHBondContact OD2-NZ 3.36Å; A147-K151 WeakPolarHBondContact O-CB 3.29Å; A147-K151 PolarHBondContact O-N 2.96Å; L148-K151 PolarHBondContact O-N 2.89Å; K151-M154 PolarHBondContact O-N 3.39Å; K151-A155 PolarHBondContact O-N 3.2Å |
| 152 | E | 82.3 | Confident | 75 | Confident | 115 Ų | 115 | 88.7 Ų | 88.7 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62 | -49.8 | 178.2 | -179.3 | 172.5 | -159.4 | 0 | 0 | 111.7 | L148 T150 M154 A155 Q156 | L148-E152 WeakPolarHBondContact O-CB 3.39Å; L148-E152 PolarHBondContact O-N 3.38Å; T150-E152 VanDerWaalsContact C-N 3.33Å; T150-E152 PolarHBondContact O-N 3.09Å; E152-M154 VanDerWaalsContact C-N 3.31Å; E152-M154 PolarHBondContact O-N 3.09Å; E152-A155 PolarHBondContact O-N 3.18Å; E152-A155 VanDerWaalsContact O-N 3.08Å; E152-Q156 HydrophobicContact CG-CG 4.32Å; E152-Q156 WeakPolarHBondContact O-CG 3.33Å; E152-Q156 PolarHBondContact O-N 3.24Å; E152-Q156 PolarHBondContact OE1-NE2 3.09Å; E152-Q156 VanDerWaalsContact OE1-NE2 3.11Å |
| 153 | K | 84.6 | Confident | 72.8 | Confident | 136 Ų | 136 | 86.1 Ų | 86.1 | 59% | 0.591 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -54.3 | -45.3 | 175.1 | -78.5 | -174.3 | 173.1 | -163 | 0 | 112.3 | K149 T150 Q156 T157 | K149-K153 WeakPolarHBondContact O-CG 3.46Å; K149-K153 PolarHBondContact O-N 3.45Å; K149-K153 VanDerWaalsContact O-N 3.17Å; T150-K153 PolarHBondContact O-N 3Å; K153-Q156 PolarHBondContact O-N 3.31Å; K153-T157 PolarHBondContact O-N 2.86Å; K153-T157 PolarHBondContact O-OG1 3.22Å |
| 154 | M | 75.4 | Confident | 70.6 | Confident | 130 Ų | 130 | 89.3 Ų | 89.3 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.1 | -37 | 176.6 | -77.9 | -171 | 165.7 | 0 | 0 | 113.4 | T150 K151 E152 T157 T158 | T150-M154 PolarHBondContact O-N 3.46Å; T150-M154 VanDerWaalsContact O-N 3.09Å; K151-M154 PolarHBondContact O-N 3.39Å; E152-M154 VanDerWaalsContact C-N 3.31Å; E152-M154 PolarHBondContact O-N 3.09Å; M154-T157 PolarHBondContact O-OG1 3.1Å; M154-T157 VanDerWaalsContact O-OG1 3.08Å; M154-T158 PolarHBondContact O-N 2.72Å; M154-T158 PolarHBondContact O-OG1 2.97Å |
| 155 | A | 75.1 | Confident | 68.2 | Low | 54 Ų | 54 | 93.5 Ų | 93.5 | 45% | 0.446 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.9 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K151 E152 T158 S159 | K151-A155 PolarHBondContact O-N 3.2Å; E152-A155 PolarHBondContact O-N 3.18Å; E152-A155 VanDerWaalsContact O-N 3.08Å; A155-T158 PolarHBondContact O-N 3.11Å; A155-S159 PolarHBondContact O-N 2.99Å; A155-S159 PolarHBondContact O-OG 2.72Å |
| 156 | Q | 70.1 | Confident | 66 | Low | 110 Ų | 110 | 92.4 Ų | 92.4 | 51% | 0.514 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.1 | -43.4 | 177.8 | -70.2 | 177.2 | 2.4 | 0 | 0 | 112 | E152 K153 T158 S159 A160 | E152-Q156 HydrophobicContact CG-CG 4.32Å; E152-Q156 WeakPolarHBondContact O-CG 3.33Å; E152-Q156 PolarHBondContact O-N 3.24Å; E152-Q156 PolarHBondContact OE1-NE2 3.09Å; E152-Q156 VanDerWaalsContact OE1-NE2 3.11Å; K153-Q156 PolarHBondContact O-N 3.31Å; Q156-T158 VanDerWaalsContact C-N 3.29Å; Q156-T158 PolarHBondContact O-N 2.84Å; Q156-S159 WeakPolarHBondContact O-CB 3.16Å; Q156-S159 PolarHBondContact O-N 3.31Å; Q156-S159 VanDerWaalsContact O-N 3.15Å; Q156-A160 PolarHBondContact O-N 2.78Å |
| 157 | T | 62.7 | Low | 64 | Low | 95 Ų | 95 | 92.8 Ų | 92.8 | 58% | 0.583 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.5 | -33.2 | 175.1 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | K153 M154 A160 S161 | K153-T157 PolarHBondContact O-N 2.86Å; K153-T157 PolarHBondContact O-OG1 3.22Å; M154-T157 PolarHBondContact O-OG1 3.1Å; M154-T157 VanDerWaalsContact O-OG1 3.08Å; T157-A160 PolarHBondContact O-N 3.25Å; T157-S161 PolarHBondContact O-N 2.98Å; T157-S161 PolarHBondContact O-OG 3.49Å |
| 158 | T | 56.2 | Low | 61.6 | Low | 94 Ų | 94 | 97.6 Ų | 97.6 | 58% | 0.577 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.3 | -34.1 | 174.2 | -48.9 | 0 | 0 | 0 | 0 | 111.8 | M154 A155 Q156 S161 | M154-T158 PolarHBondContact O-N 2.72Å; M154-T158 PolarHBondContact O-OG1 2.97Å; A155-T158 PolarHBondContact O-N 3.11Å; Q156-T158 VanDerWaalsContact C-N 3.29Å; Q156-T158 PolarHBondContact O-N 2.84Å; T158-S161 PolarHBondContact O-OG 3.34Å |
| 159 | S | 50.2 | Low | 59.6 | Low | 81 Ų | 81 | 102.8 Ų | 102.8 | 57% | 0.566 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69 | -36.8 | 171.6 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | A155 Q156 S161 S162 | A155-S159 PolarHBondContact O-N 2.99Å; A155-S159 PolarHBondContact O-OG 2.72Å; Q156-S159 WeakPolarHBondContact O-CB 3.16Å; Q156-S159 PolarHBondContact O-N 3.31Å; Q156-S159 VanDerWaalsContact O-N 3.15Å; S159-S161 VanDerWaalsContact C-N 3.27Å; S159-S161 PolarHBondContact O-N 2.94Å; S159-S162 VanDerWaalsContact O-CB 3.24Å; S159-S162 WeakPolarHBondContact O-CB 3.33Å; S159-S162 PolarHBondContact O-N 3.19Å; S159-S162 PolarHBondContact O-OG 3Å |
| 160 | A | 48.2 | Very low | 57.3 | Low | 71 Ų | 71 | 99.9 Ų | 99.9 | 59% | 0.587 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61.9 | -31.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q156 T157 S162 A163 | Q156-A160 PolarHBondContact O-N 2.78Å; T157-A160 PolarHBondContact O-N 3.25Å; A160-S162 PolarHBondContact O-N 3.45Å; A160-A163 PolarHBondContact O-N 2.92Å |
| 161 | S | 46.3 | Very low | 55 | Low | 96 Ų | 96 | 100.8 Ų | 100.8 | 67% | 0.671 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 5.1 | 170.5 | 35.2 | 0 | 0 | 0 | 0 | 115.4 | T157 T158 S159 | T157-S161 PolarHBondContact O-N 2.98Å; T157-S161 PolarHBondContact O-OG 3.49Å; T158-S161 PolarHBondContact O-OG 3.34Å; S159-S161 VanDerWaalsContact C-N 3.27Å; S159-S161 PolarHBondContact O-N 2.94Å |
| 162 | S | 41.7 | Very low | 52.8 | Low | 100 Ų | 100 | 104.2 Ų | 104.2 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 10.5 | 175.9 | -51.9 | 0 | 0 | 0 | 0 | 114.2 | S159 A160 | S159-S162 VanDerWaalsContact O-CB 3.24Å; S159-S162 WeakPolarHBondContact O-CB 3.33Å; S159-S162 PolarHBondContact O-N 3.19Å; S159-S162 PolarHBondContact O-OG 3Å; A160-S162 PolarHBondContact O-N 3.45Å |
| 163 | A | 44.1 | Very low | 50.9 | Low | 74 Ų | 74 | 107 Ų | 107 | 61% | 0.612 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -76.7 | 138.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A160 | A160-A163 PolarHBondContact O-N 2.92Š|
| 164 | P | 46.1 | Very low | 49.1 | Very low | 128 Ų | 128 | 105.9 Ų | 105.9 | 83% | 0.831 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 132.5 | 179.6 | 28.4 | -34.3 | 0 | 0 | 0 | 111.7 | A166 | P164-A166 PolarHBondContact O-N 3.31Š|
| 165 | S | 39.1 | Very low | 47.5 | Very low | 123 Ų | 123 | 107.9 Ų | 107.9 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 116.7 | -170.6 | -45.2 | 0 | 0 | 0 | 0 | 114 | ||
| 166 | A | 43.1 | Very low | 45.6 | Very low | 89 Ų | 89 | 107.3 Ų | 107.3 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 142.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | P164 S168 | P164-A166 PolarHBondContact O-N 3.31Å; A166-S168 PolarHBondContact O-N 3.33Å |
| 167 | P | 46.7 | Very low | 44.3 | Very low | 136 Ų | 136 | 108.2 Ų | 108.2 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | trans | -79.7 | 102.4 | -177.2 | 30.9 | -33.7 | 0 | 0 | 0 | 111.5 | ||||
| 168 | S | 38.3 | Very low | 43.1 | Very low | 123 Ų | 123 | 111.1 Ų | 111.1 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | -83.8 | 135 | 167.5 | -164.8 | 0 | 0 | 0 | 0 | 111 | A166 | A166-S168 PolarHBondContact O-N 3.33Š| ||
| 169 | L | 44.4 | Very low | 42.5 | Very low | 170 Ų | 170 | 112.8 Ų | 112.8 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | trans | -101.6 | 117.2 | -171.1 | 174.1 | 65.4 | 0 | 0 | 0 | 112 | ||||
| 170 | G | 40 | Very low | 41.7 | Very low | 74 Ų | 74 | 112.2 Ų | 112.2 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | trans | 82.2 | 151.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 171 | G | 37 | Very low | 41.1 | Very low | 76 Ų | 76 | 114.5 Ų | 114.5 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | 140.7 | 4.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | L173 | G171-L173 PolarHBondContact O-N 2.64Š| ||
| 172 | S | 38.4 | Very low | 41 | Very low | 113 Ų | 113 | 115.2 Ų | 115.2 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -76.2 | 91.4 | 179.7 | -178.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 173 | L | 40.5 | Very low | 41.3 | Very low | 173 Ų | 173 | 116.5 Ų | 116.5 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | trans | -98.2 | 104.3 | 162.1 | -71.8 | 177.1 | 0 | 0 | 0 | 110 | G171 M175 | G171-L173 PolarHBondContact O-N 2.64Å; L173-M175 PolarHBondContact O-N 3.05Å | ||
| 174 | S | 47.3 | Very low | 41.6 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 118.1 | 169.5 | -58 | 0 | 0 | 0 | 0 | 109.8 | ||
| 175 | M | 42.9 | Very low | 41.8 | Very low | 173 Ų | 173 | 118.2 Ų | 118.2 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 130.4 | 158.4 | -165.9 | 57.8 | 175.2 | 0 | 0 | 109 | L173 | L173-M175 PolarHBondContact O-N 3.05Š|
| 176 | G | 35.5 | Very low | 42.2 | Very low | 41 Ų | 41 | 122.3 Ų | 122.3 | 42% | 0.423 | 77% | 0.769 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 144.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H178 | G176-H178 PolarHBondContact O-CD2 3.49Å; G176-H178 PolarHBondContact O-N 3.29Å |
| 177 | S | 41.3 | Very low | 42.5 | Very low | 129 Ų | 129 | 121.3 Ų | 121.3 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | trans | -72.2 | 96.5 | 165.6 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 178 | H | 37.5 | Very low | 42.9 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | -101.8 | 103.7 | 173.3 | -64.6 | -73.4 | 0 | 0 | 0 | 108.6 | G176 G180 | G176-H178 PolarHBondContact O-CD2 3.49Å; G176-H178 PolarHBondContact O-N 3.29Å; H178-G180 PolarHBondContact O-N 3.38Å; H178-G180 VanDerWaalsContact O-N 3.08Å | ||
| 179 | S | 44.2 | Very low | 44.1 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | trans | -66 | 103.9 | 170.1 | 51.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 180 | G | 33.6 | Very low | 44.9 | Very low | 69 Ų | 69 | 116.6 Ų | 116.6 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | -129 | 149.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | H178 | H178-G180 PolarHBondContact O-N 3.38Å; H178-G180 VanDerWaalsContact O-N 3.08Å | ||
| 181 | D | 34.7 | Very low | 46.3 | Very low | 120 Ų | 120 | 115.9 Ų | 115.9 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | trans | -63.8 | 144.8 | -175.6 | -164.1 | -87.6 | 0 | 0 | 0 | 113.5 | D183 | D181-D183 PolarHBondContact O-N 2.81Å; D181-D183 PolarHBondContact OD1-N 3.32Å | ||
| 182 | P | 45.3 | Very low | 47.9 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 71% | 0.714 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -12.5 | -174.2 | 31.9 | -37.1 | 0 | 0 | 0 | 115.6 | ||
| 183 | D | 47.9 | Very low | 49.1 | Very low | 127 Ų | 127 | 116.6 Ų | 116.6 | 68% | 0.679 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -7 | -173.8 | -92.6 | -91.4 | 0 | 0 | 0 | 114.7 | D181 A185 | D181-D183 PolarHBondContact O-N 2.81Å; D181-D183 PolarHBondContact OD1-N 3.32Å; D183-A185 PolarHBondContact O-N 3.26Å; D183-A185 VanDerWaalsContact O-N 3.1Å |
| 184 | Q | 49.1 | Very low | 50.8 | Low | 155 Ų | 155 | 113.5 Ų | 113.5 | 72% | 0.724 | 67% | 0.668 | S | S | * | * | trans | -84.9 | 30.5 | -177 | -153.1 | 70.9 | 68.8 | 0 | 0 | 114 | ||||
| 185 | A | 50.1 | Low | 52.4 | Low | 83 Ų | 83 | 113.5 Ų | 113.5 | 69% | 0.686 | 66% | 0.658 | S | S | * | * | trans | -103.8 | 14.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D183 | D183-A185 PolarHBondContact O-N 3.26Å; D183-A185 VanDerWaalsContact O-N 3.1Å | ||
| 186 | W | 48.7 | Very low | 54.2 | Low | 210 Ų | 210 | 111.4 Ų | 111.4 | 80% | 0.795 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -104.3 | 126.7 | 177.5 | -70 | 91 | 0 | 0 | 0 | 111.4 | Q188 | W186-Q188 PolarHBondContact O-N 2.89Š|
| 187 | P | 48.4 | Very low | 56.4 | Low | 68 Ų | 68 | 114.1 Ų | 114.1 | 44% | 0.442 | 65% | 0.651 | S | S | . | * | trans | -66.5 | 121.3 | 179.4 | 26.9 | -33.2 | 0 | 0 | 0 | 110.3 | S189 E193 | P187-S189 VanDerWaalsContact C-N 3.28Å; P187-S189 PolarHBondContact O-N 2.93Å; P187-E193 HydrophobicContact CG-CB 4.37Å | ||
| 188 | Q | 56 | Low | 58.5 | Low | 175 Ų | 175 | 114.5 Ų | 114.5 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -84.4 | 5 | -176.5 | -63.7 | -155.3 | -81.4 | 0 | 0 | 114.1 | W186 | W186-Q188 PolarHBondContact O-N 2.89Š|
| 189 | S | 62.7 | Low | 60.8 | Low | 62 Ų | 62 | 111.7 Ų | 111.7 | 43% | 0.434 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -145.5 | 141.6 | 173.9 | 82.1 | 0 | 0 | 0 | 0 | 113.3 | P187 G191 E192 | P187-S189 VanDerWaalsContact C-N 3.28Å; P187-S189 PolarHBondContact O-N 2.93Å; S189-G191 PolarHBondContact O-N 3.23Å; S189-G191 VanDerWaalsContact O-N 3.13Å; S189-E192 PolarHBondContact O-N 3.46Å |
| 190 | S | 61.8 | Low | 62.6 | Low | 92 Ų | 92 | 108.2 Ų | 108.2 | 64% | 0.643 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -4.5 | 179.5 | -173.8 | 0 | 0 | 0 | 0 | 114 | E193 | S190-E193 WeakPolarHBondContact CA-OE1 3.3Å; S190-E193 WeakPolarHBondContact CB-OE1 3.2Å; S190-E193 PolarHBondContact OG-OE1 2.85Å |
| 191 | G | 69.5 | Low | 64.9 | Low | 59 Ų | 59 | 110.2 Ų | 110.2 | 61% | 0.608 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -18.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S189 | S189-G191 PolarHBondContact O-N 3.23Å; S189-G191 VanDerWaalsContact O-N 3.13Å |
| 192 | E | 70.7 | Confident | 67 | Low | 105 Ų | 105 | 107.1 Ų | 107.1 | 49% | 0.491 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -91.9 | -31.6 | -178 | -169.7 | 166.2 | -163.7 | 0 | 0 | 111.7 | S189 D194 L195 Q196 | S189-E192 PolarHBondContact O-N 3.46Å; E192-D194 VanDerWaalsContact C-N 3.31Å; E192-D194 PolarHBondContact O-N 3.11Å; E192-L195 PolarHBondContact O-N 2.74Å; E192-Q196 VanDerWaalsContact O-CB 3.27Å; E192-Q196 WeakPolarHBondContact O-CB 3.48Å; E192-Q196 PolarHBondContact O-N 2.83Å |
| 193 | E | 63.4 | Low | 68.3 | Low | 99 Ų | 99 | 107.4 Ų | 107.4 | 46% | 0.463 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.6 | -38.5 | 172.7 | 69.4 | -168.7 | 164.5 | 0 | 0 | 112.5 | P187 S190 Q196 L197 | P187-E193 HydrophobicContact CG-CB 4.37Å; S190-E193 WeakPolarHBondContact CA-OE1 3.3Å; S190-E193 WeakPolarHBondContact CB-OE1 3.2Å; S190-E193 PolarHBondContact OG-OE1 2.85Å; E193-Q196 PolarHBondContact O-N 2.72Å; E193-L197 VanDerWaalsContact O-CB 3.25Å; E193-L197 WeakPolarHBondContact O-CB 3.14Å; E193-L197 PolarHBondContact O-N 3.29Å |
| 194 | D | 75.4 | Confident | 69.6 | Low | 109 Ų | 109 | 104.7 Ų | 104.7 | 58% | 0.583 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -74.1 | -33.6 | -179.7 | -149.9 | 39.8 | 0 | 0 | 0 | 111.5 | E192 Q198 | E192-D194 VanDerWaalsContact C-N 3.31Å; E192-D194 PolarHBondContact O-N 3.11Å; D194-Q198 VanDerWaalsContact O-CB 3.29Å; D194-Q198 WeakPolarHBondContact O-CB 3.43Å; D194-Q198 PolarHBondContact O-N 3.22Å |
| 195 | L | 81.9 | Confident | 71 | Confident | 113 Ų | 113 | 103.2 Ų | 103.2 | 59% | 0.592 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.9 | -42.5 | 171 | -177.3 | 64.9 | 0 | 0 | 0 | 111.7 | E192 L197 Q198 L199 | E192-L195 PolarHBondContact O-N 2.74Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L195-Q198 PolarHBondContact O-N 3.5Å; L195-L199 WeakPolarHBondContact O-CB 3.47Å; L195-L199 PolarHBondContact O-N 3.01Å |
| 196 | Q | 79.9 | Confident | 71.8 | Confident | 129 Ų | 129 | 104.9 Ų | 104.9 | 60% | 0.603 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63 | -41.1 | 175.3 | -167.7 | 80.9 | -21.7 | 0 | 0 | 110.8 | E192 E193 L199 A200 | E192-Q196 VanDerWaalsContact O-CB 3.27Å; E192-Q196 WeakPolarHBondContact O-CB 3.48Å; E192-Q196 PolarHBondContact O-N 2.83Å; E193-Q196 PolarHBondContact O-N 2.72Å; Q196-L199 PolarHBondContact O-N 3.04Å; Q196-A200 VanDerWaalsContact O-CB 3.3Å; Q196-A200 WeakPolarHBondContact O-CB 3.41Å; Q196-A200 PolarHBondContact O-N 3.03Å |
| 197 | L | 81.6 | Confident | 72.4 | Confident | 97 Ų | 97 | 101.2 Ų | 101.2 | 51% | 0.508 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.7 | -43.2 | 175.1 | -172.8 | 70.2 | 0 | 0 | 0 | 111.5 | E193 L195 A200 L201 | E193-L197 VanDerWaalsContact O-CB 3.25Å; E193-L197 WeakPolarHBondContact O-CB 3.14Å; E193-L197 PolarHBondContact O-N 3.29Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L197-A200 PolarHBondContact O-N 3.4Å; L197-L201 HydrophobicContact CG-CD1 4.23Å; L197-L201 WeakPolarHBondContact O-CB 3.34Å; L197-L201 VanDerWaalsContact O-CG 3.3Å; L197-L201 WeakPolarHBondContact O-CG 3.48Å; L197-L201 PolarHBondContact O-N 2.89Å |
| 198 | Q | 85.5 | Confident | 72.7 | Confident | 137 Ų | 137 | 100.6 Ų | 100.6 | 64% | 0.64 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.5 | -37.5 | 176.3 | -175.4 | 164.3 | 69.1 | 0 | 0 | 112.1 | D194 L195 A202 | D194-Q198 VanDerWaalsContact O-CB 3.29Å; D194-Q198 WeakPolarHBondContact O-CB 3.43Å; D194-Q198 PolarHBondContact O-N 3.22Å; L195-Q198 PolarHBondContact O-N 3.5Å; Q198-A202 WeakPolarHBondContact O-CB 3.47Å; Q198-A202 PolarHBondContact O-N 3.22Å |
| 199 | L | 87.1 | Confident | 72.6 | Confident | 98 Ų | 98 | 97.7 Ų | 97.7 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 172 | -179.7 | 60.2 | 0 | 0 | 0 | 111.6 | L195 Q196 L201 A202 M203 | L195-L199 WeakPolarHBondContact O-CB 3.47Å; L195-L199 PolarHBondContact O-N 3.01Å; Q196-L199 PolarHBondContact O-N 3.04Å; L199-L201 PolarHBondContact O-N 3.33Å; L199-A202 PolarHBondContact O-N 2.98Å; L199-M203 HydrophobicContact CD1-CG 4.33Å; L199-M203 WeakPolarHBondContact O-CB 3.29Å; L199-M203 WeakPolarHBondContact O-CG 3.48Å; L199-M203 PolarHBondContact O-N 3.11Å |
| 200 | A | 80.7 | Confident | 71.7 | Confident | 56 Ų | 56 | 102 Ų | 102 | 46% | 0.463 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.1 | -38.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q196 L197 S204 | Q196-A200 VanDerWaalsContact O-CB 3.3Å; Q196-A200 WeakPolarHBondContact O-CB 3.41Å; Q196-A200 PolarHBondContact O-N 3.03Å; L197-A200 PolarHBondContact O-N 3.4Å; A200-S204 WeakPolarHBondContact O-CB 3.45Å; A200-S204 PolarHBondContact O-N 3.27Å |
| 201 | L | 83.1 | Confident | 70.7 | Confident | 111 Ų | 111 | 102.9 Ų | 102.9 | 58% | 0.581 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.4 | -37.2 | 173.4 | -72.7 | 169.3 | 0 | 0 | 0 | 112.2 | L197 L199 K205 | L197-L201 HydrophobicContact CG-CD1 4.23Å; L197-L201 WeakPolarHBondContact O-CB 3.34Å; L197-L201 VanDerWaalsContact O-CG 3.3Å; L197-L201 WeakPolarHBondContact O-CG 3.48Å; L197-L201 PolarHBondContact O-N 2.89Å; L199-L201 PolarHBondContact O-N 3.33Å; L201-K205 WeakPolarHBondContact O-CB 3.48Å; L201-K205 PolarHBondContact O-N 3.37Å |
| 202 | A | 77.9 | Confident | 69.6 | Low | 55 Ų | 55 | 104.4 Ų | 104.4 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65 | -47.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q198 L199 K205 E206 | Q198-A202 WeakPolarHBondContact O-CB 3.47Å; Q198-A202 PolarHBondContact O-N 3.22Å; L199-A202 PolarHBondContact O-N 2.98Å; A202-K205 PolarHBondContact O-N 3.18Å; A202-E206 PolarHBondContact O-N 2.68Å |
| 203 | M | 72.9 | Confident | 68.4 | Low | 115 Ų | 115 | 102.5 Ų | 102.5 | 57% | 0.567 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.9 | -39.9 | 176.2 | -74.9 | -158.9 | 70.4 | 0 | 0 | 112.7 | L199 K205 E206 E207 | L199-M203 HydrophobicContact CD1-CG 4.33Å; L199-M203 WeakPolarHBondContact O-CB 3.29Å; L199-M203 WeakPolarHBondContact O-CG 3.48Å; L199-M203 PolarHBondContact O-N 3.11Å; M203-K205 VanDerWaalsContact C-N 3.3Å; M203-K205 PolarHBondContact O-N 3.18Å; M203-E206 PolarHBondContact O-N 2.97Å; M203-E207 VanDerWaalsContact O-CB 3.3Å; M203-E207 WeakPolarHBondContact O-CB 3.38Å; M203-E207 PolarHBondContact O-N 3.42Å |
| 204 | S | 75.3 | Confident | 67.8 | Low | 71 Ų | 71 | 103.3 Ų | 103.3 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.6 | -32.8 | 176.1 | -178.9 | 0 | 0 | 0 | 0 | 112 | A200 A208 | A200-S204 WeakPolarHBondContact O-CB 3.45Å; A200-S204 PolarHBondContact O-N 3.27Å; S204-A208 VanDerWaalsContact O-CB 3.29Å; S204-A208 WeakPolarHBondContact O-CB 3.44Å; S204-A208 PolarHBondContact O-N 3.43Å |
| 205 | K | 78.6 | Confident | 67 | Low | 123 Ų | 123 | 103 Ų | 103 | 54% | 0.535 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.1 | -44.7 | 170.4 | -177.9 | -179.8 | 178.8 | -74.7 | 0 | 111.7 | L201 A202 M203 A208 E209 | L201-K205 WeakPolarHBondContact O-CB 3.48Å; L201-K205 PolarHBondContact O-N 3.37Å; A202-K205 PolarHBondContact O-N 3.18Å; M203-K205 VanDerWaalsContact C-N 3.3Å; M203-K205 PolarHBondContact O-N 3.18Å; K205-A208 PolarHBondContact O-N 2.76Å; K205-E209 IonicContact NZ-OE1 3.45Å; K205-E209 IonicContact NZ-OE2 2.64Å; K205-E209 PolarHBondContact NZ-OE2 3.08Å; K205-E209 PolarHBondContact O-N 3.19Å |
| 206 | E | 67.8 | Low | 65.9 | Low | 119 Ų | 119 | 104 Ų | 104 | 56% | 0.556 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.9 | -42.3 | 177.2 | -174.6 | 168.3 | -148.7 | 0 | 0 | 111.6 | A202 M203 A208 E209 Q210 | A202-E206 PolarHBondContact O-N 2.68Å; M203-E206 PolarHBondContact O-N 2.97Å; E206-A208 PolarHBondContact O-N 2.86Å; E206-E209 PolarHBondContact O-N 3.03Å; E206-Q210 WeakPolarHBondContact O-CB 3.46Å; E206-Q210 PolarHBondContact O-N 3.03Å |
| 207 | E | 59.3 | Low | 65.2 | Low | 132 Ų | 132 | 104.6 Ų | 104.6 | 62% | 0.617 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.6 | -38.5 | 173.9 | -173.9 | 175.9 | -169.8 | 0 | 0 | 111.8 | M203 Q210 T211 | M203-E207 VanDerWaalsContact O-CB 3.3Å; M203-E207 WeakPolarHBondContact O-CB 3.38Å; M203-E207 PolarHBondContact O-N 3.42Å; E207-Q210 PolarHBondContact O-N 2.87Å; E207-T211 HydrophobicContact CG-CG2 4.39Å; E207-T211 WeakPolarHBondContact O-CB 3.11Å; E207-T211 WeakPolarHBondContact O-CG2 3.23Å; E207-T211 PolarHBondContact O-N 3.42Å; E207-T211 PolarHBondContact O-OG1 3.3Å |
| 208 | A | 56.5 | Low | 64.7 | Low | 56 Ų | 56 | 103.3 Ų | 103.3 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.7 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S204 K205 E206 Q210 T211 S212 | S204-A208 VanDerWaalsContact O-CB 3.29Å; S204-A208 WeakPolarHBondContact O-CB 3.44Å; S204-A208 PolarHBondContact O-N 3.43Å; K205-A208 PolarHBondContact O-N 2.76Å; E206-A208 PolarHBondContact O-N 2.86Å; A208-Q210 VanDerWaalsContact C-N 3.33Å; A208-T211 PolarHBondContact O-OG1 2.98Å; A208-S212 WeakPolarHBondContact O-CB 3.26Å; A208-S212 PolarHBondContact O-N 2.83Å; A208-S212 PolarHBondContact O-OG 3.16Å |
| 209 | E | 53.8 | Low | 64.4 | Low | 114 Ų | 114 | 99.3 Ų | 99.3 | 53% | 0.533 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.2 | -28.7 | 175 | -72.2 | 179.2 | 115 | 0 | 0 | 112.2 | K205 E206 S212 A213 | K205-E209 IonicContact NZ-OE1 3.45Å; K205-E209 IonicContact NZ-OE2 2.64Å; K205-E209 PolarHBondContact NZ-OE2 3.08Å; K205-E209 PolarHBondContact O-N 3.19Å; E206-E209 PolarHBondContact O-N 3.03Å; E209-S212 PolarHBondContact O-OG 3.02Å; E209-A213 WeakPolarHBondContact O-CB 3.41Å |
| 210 | Q | 43.1 | Very low | 64.1 | Low | 151 Ų | 151 | 100 Ų | 100 | 71% | 0.706 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -86.6 | -20.6 | -180 | -169.7 | 151.1 | 91.8 | 0 | 0 | 113.8 | E206 E207 A208 | E206-Q210 WeakPolarHBondContact O-CB 3.46Å; E206-Q210 PolarHBondContact O-N 3.03Å; E207-Q210 PolarHBondContact O-N 2.87Å; A208-Q210 VanDerWaalsContact C-N 3.33Å |
| 211 | T | 41.1 | Very low | 64.2 | Low | 112 Ų | 112 | 102.3 Ų | 102.3 | 69% | 0.687 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -89.6 | -8.1 | 170.7 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | E207 A208 | E207-T211 HydrophobicContact CG-CG2 4.39Å; E207-T211 WeakPolarHBondContact O-CB 3.11Å; E207-T211 WeakPolarHBondContact O-CG2 3.23Å; E207-T211 PolarHBondContact O-N 3.42Å; E207-T211 PolarHBondContact O-OG1 3.3Å; A208-T211 PolarHBondContact O-OG1 2.98Å |
| 212 | S | 45.4 | Very low | 64.2 | Low | 90 Ų | 90 | 104.2 Ų | 104.2 | 63% | 0.629 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -107.3 | 22.2 | 178.7 | 77.7 | 0 | 0 | 0 | 0 | 114.5 | A208 E209 | A208-S212 WeakPolarHBondContact O-CB 3.26Å; A208-S212 PolarHBondContact O-N 2.83Å; A208-S212 PolarHBondContact O-OG 3.16Å; E209-S212 PolarHBondContact O-OG 3.02Å |
| 213 | A | 46.6 | Very low | 64.8 | Low | 65 Ų | 65 | 109 Ų | 109 | 54% | 0.537 | 58% | 0.577 | S | S | . | * | trans | -132.7 | 50.3 | -163.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E209 P215 | E209-A213 WeakPolarHBondContact O-CB 3.41Å; A213-P215 WeakPolarHBondContact O-CD 3.46Å | ||
| 214 | D | 51.2 | Low | 65.5 | Low | 116 Ų | 116 | 106.1 Ų | 106.1 | 62% | 0.62 | 57% | 0.571 | S | S | * | * | trans | -79.5 | 110 | 153.6 | -113 | -44 | 0 | 0 | 0 | 108 | L216 E217 D218 | D214-L216 PolarHBondContact O-N 3.33Å; D214-E217 HydrophobicContact CB-CG 4.37Å; D214-E217 PolarHBondContact O-N 3.15Å; D214-D218 PolarHBondContact O-N 3.44Å | ||
| 215 | P | 58.5 | Low | 66.2 | Low | 102 Ų | 102 | 108.1 Ų | 108.1 | 66% | 0.662 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -5.8 | -168.1 | 28.2 | -35.8 | 0 | 0 | 0 | 114.5 | A213 | A213-P215 WeakPolarHBondContact O-CD 3.46Š|
| 216 | L | 58.6 | Low | 66.8 | Low | 134 Ų | 134 | 106.5 Ų | 106.5 | 70% | 0.702 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -42.9 | 166 | -105.1 | 72.8 | 0 | 0 | 0 | 111.9 | D214 A219 D220 | D214-L216 PolarHBondContact O-N 3.33Å; L216-A219 WeakPolarHBondContact O-CB 3.45Å; L216-A219 PolarHBondContact O-N 3.32Å; L216-A219 VanDerWaalsContact O-N 3.16Å; L216-D220 PolarHBondContact O-N 2.92Å |
| 217 | E | 64.5 | Low | 68 | Low | 142 Ų | 142 | 104.3 Ų | 104.3 | 66% | 0.664 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.3 | -36.9 | -174.7 | -68.9 | -163 | 143.5 | 0 | 0 | 111.9 | D214 A219 D220 L221 | D214-E217 HydrophobicContact CB-CG 4.37Å; D214-E217 PolarHBondContact O-N 3.15Å; E217-A219 VanDerWaalsContact C-N 3.3Å; E217-A219 PolarHBondContact O-N 2.75Å; E217-D220 PolarHBondContact O-N 3.39Å; E217-L221 WeakPolarHBondContact O-CB 3.46Å; E217-L221 PolarHBondContact O-N 3Å |
| 218 | D | 71.4 | Confident | 69.5 | Low | 70 Ų | 70 | 101.6 Ų | 101.6 | 37% | 0.374 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.2 | -32 | 172.5 | -179.9 | 41.7 | 0 | 0 | 0 | 112 | D214 R222 | D214-D218 PolarHBondContact O-N 3.44Å; D218-R222 VanDerWaalsContact O-CB 3.27Å; D218-R222 WeakPolarHBondContact O-CB 3.45Å; D218-R222 WeakPolarHBondContact O-CD 3.18Å; D218-R222 WeakPolarHBondContact O-CG 3.26Å; D218-R222 PolarHBondContact O-N 2.66Å; D218-R222 IonicContact OD1-CZ 2.72Å; D218-R222 IonicContact OD1-NE 3.47Å; D218-R222 PolarHBondContact OD1-NE 2.69Å; D218-R222 IonicContact OD1-NH2 3.78Å; D218-R222 PolarHBondContact OD1-NH2 3.4Å; D218-R222 IonicContact OD2-CZ 2.64Å; D218-R222 IonicContact OD2-NE 2.67Å; D218-R222 PolarHBondContact OD2-NE 3.37Å; D218-R222 IonicContact OD2-NH2 3.64Å; D218-R222 PolarHBondContact OD2-NH2 3.46Å |
| 219 | A | 78.9 | Confident | 71.2 | Confident | 53 Ų | 53 | 106.9 Ų | 106.9 | 44% | 0.438 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.5 | -47.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L216 E217 R222 Y223 | L216-A219 WeakPolarHBondContact O-CB 3.45Å; L216-A219 PolarHBondContact O-N 3.32Å; L216-A219 VanDerWaalsContact O-N 3.16Å; E217-A219 VanDerWaalsContact C-N 3.3Å; E217-A219 PolarHBondContact O-N 2.75Å; A219-R222 PolarHBondContact O-N 3.34Å; A219-Y223 WeakPolarHBondContact O-CB 3.06Å; A219-Y223 PolarHBondContact O-N 2.97Å |
| 220 | D | 81.6 | Confident | 73 | Confident | 113 Ų | 113 | 107.2 Ų | 107.2 | 60% | 0.604 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.9 | -37.5 | 177.5 | -82.3 | -10.4 | 0 | 0 | 0 | 112.2 | L216 E217 Y223 A224 | L216-D220 PolarHBondContact O-N 2.92Å; E217-D220 PolarHBondContact O-N 3.39Å; D220-Y223 WeakPolarHBondContact O-CB 3.43Å; D220-Y223 PolarHBondContact O-N 3.21Å; D220-A224 WeakPolarHBondContact O-CB 3.36Å; D220-A224 PolarHBondContact O-N 3.32Å |
| 221 | L | 82.3 | Confident | 75.2 | Confident | 105 Ų | 105 | 104.8 Ų | 104.8 | 55% | 0.55 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.4 | -39 | 178.1 | -164.5 | 153.9 | 0 | 0 | 0 | 111.3 | E217 Y223 A224 L225 | E217-L221 WeakPolarHBondContact O-CB 3.46Å; E217-L221 PolarHBondContact O-N 3Å; L221-Y223 VanDerWaalsContact C-N 3.35Å; L221-A224 PolarHBondContact O-N 3.44Å; L221-L225 HydrophobicContact CD2-CD1 3.66Å; L221-L225 HydrophobicContact CD2-CG 4.12Å; L221-L225 WeakPolarHBondContact O-CB 3.24Å; L221-L225 WeakPolarHBondContact O-CG 3.25Å; L221-L225 PolarHBondContact O-N 3.4Å |
| 222 | R | 82.9 | Confident | 77.5 | Confident | 151 Ų | 151 | 105 Ų | 105 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.6 | -39.1 | 169.5 | -73.7 | 170.3 | -167.4 | -151.1 | 7.5 | 112.3 | D218 A219 T226 | D218-R222 VanDerWaalsContact O-CB 3.27Å; D218-R222 WeakPolarHBondContact O-CB 3.45Å; D218-R222 WeakPolarHBondContact O-CD 3.18Å; D218-R222 WeakPolarHBondContact O-CG 3.26Å; D218-R222 PolarHBondContact O-N 2.66Å; D218-R222 IonicContact OD1-CZ 2.72Å; D218-R222 IonicContact OD1-NE 3.47Å; D218-R222 PolarHBondContact OD1-NE 2.69Å; D218-R222 IonicContact OD1-NH2 3.78Å; D218-R222 PolarHBondContact OD1-NH2 3.4Å; D218-R222 IonicContact OD2-CZ 2.64Å; D218-R222 IonicContact OD2-NE 2.67Å; D218-R222 PolarHBondContact OD2-NE 3.37Å; D218-R222 IonicContact OD2-NH2 3.64Å; D218-R222 PolarHBondContact OD2-NH2 3.46Å; A219-R222 PolarHBondContact O-N 3.34Å; R222-T226 WeakPolarHBondContact O-CB 3.3Å; R222-T226 PolarHBondContact O-N 3.31Å; R222-T226 PolarHBondContact O-OG1 3.24Å |
| 223 | Y | 89.6 | Confident | 79.8 | Confident | 156 Ų | 156 | 105.5 Ų | 105.5 | 61% | 0.612 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64 | -46.5 | 174.8 | -178.4 | -107.2 | 0 | 0 | 0 | 111.2 | A219 D220 L221 L225 T226 L227 | A219-Y223 WeakPolarHBondContact O-CB 3.06Å; A219-Y223 PolarHBondContact O-N 2.97Å; D220-Y223 WeakPolarHBondContact O-CB 3.43Å; D220-Y223 PolarHBondContact O-N 3.21Å; L221-Y223 VanDerWaalsContact C-N 3.35Å; Y223-L225 PolarHBondContact O-N 3.11Å; Y223-T226 WeakPolarHBondContact O-CB 3.36Å; Y223-T226 PolarHBondContact O-N 3.17Å; Y223-L227 HydrophobicContact CE1-CD2 4.49Å; Y223-L227 WeakPolarHBondContact O-CB 3.3Å; Y223-L227 PolarHBondContact O-N 3.13Å |
| 224 | A | 88.4 | Confident | 81.8 | Confident | 53 Ų | 53 | 108.8 Ų | 108.8 | 44% | 0.438 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.8 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D220 L221 T226 L227 S228 | D220-A224 WeakPolarHBondContact O-CB 3.36Å; D220-A224 PolarHBondContact O-N 3.32Å; L221-A224 PolarHBondContact O-N 3.44Å; A224-T226 VanDerWaalsContact C-N 3.34Å; A224-T226 PolarHBondContact O-N 3.44Å; A224-L227 PolarHBondContact O-N 3.11Å; A224-S228 VanDerWaalsContact O-CB 3.25Å; A224-S228 WeakPolarHBondContact O-CB 3.41Å; A224-S228 PolarHBondContact O-N 2.82Å |
| 225 | L | 90.4 | Very high | 83.7 | Confident | 113 Ų | 113 | 108 Ų | 108 | 59% | 0.592 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.1 | -39.2 | 173.7 | -74.7 | 175.2 | 0 | 0 | 0 | 112.1 | L221 Y223 K229 | L221-L225 HydrophobicContact CD2-CD1 3.66Å; L221-L225 HydrophobicContact CD2-CG 4.12Å; L221-L225 WeakPolarHBondContact O-CB 3.24Å; L221-L225 WeakPolarHBondContact O-CG 3.25Å; L221-L225 PolarHBondContact O-N 3.4Å; Y223-L225 PolarHBondContact O-N 3.11Å; L225-K229 WeakPolarHBondContact O-CB 3.35Å; L225-K229 PolarHBondContact O-N 3.29Å; L225-K229 VanDerWaalsContact O-N 3.08Å |
| 226 | T | 91.9 | Very high | 85.1 | Confident | 90 Ų | 90 | 107 Ų | 107 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.8 | -47.5 | 176.7 | -58.3 | 0 | 0 | 0 | 0 | 111 | R222 Y223 A224 K229 E230 | R222-T226 WeakPolarHBondContact O-CB 3.3Å; R222-T226 PolarHBondContact O-N 3.31Å; R222-T226 PolarHBondContact O-OG1 3.24Å; Y223-T226 WeakPolarHBondContact O-CB 3.36Å; Y223-T226 PolarHBondContact O-N 3.17Å; A224-T226 VanDerWaalsContact C-N 3.34Å; A224-T226 PolarHBondContact O-N 3.44Å; T226-K229 PolarHBondContact O-N 2.92Å; T226-E230 PolarHBondContact O-N 2.84Å |
| 227 | L | 91.4 | Very high | 86.6 | Confident | 72 Ų | 72 | 107.6 Ų | 107.6 | 38% | 0.377 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 178.7 | -173 | 67.9 | 0 | 0 | 0 | 111.8 | Y223 A224 K229 E230 I231 | Y223-L227 HydrophobicContact CE1-CD2 4.49Å; Y223-L227 WeakPolarHBondContact O-CB 3.3Å; Y223-L227 PolarHBondContact O-N 3.13Å; A224-L227 PolarHBondContact O-N 3.11Å; L227-K229 VanDerWaalsContact C-N 3.35Å; L227-K229 PolarHBondContact O-N 3.27Å; L227-E230 PolarHBondContact O-N 3.49Å; L227-I231 HydrophobicContact CD1-CD1 4.46Å; L227-I231 HydrophobicContact CG-CD1 3.96Å; L227-I231 WeakPolarHBondContact O-CB 3.5Å; L227-I231 VanDerWaalsContact O-CG1 3.27Å; L227-I231 WeakPolarHBondContact O-CG1 3.38Å; L227-I231 PolarHBondContact O-N 3.35Å |
| 228 | S | 91.3 | Very high | 87.8 | Confident | 76 Ų | 76 | 105.8 Ų | 105.8 | 53% | 0.531 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | A224 I231 H232 | A224-S228 VanDerWaalsContact O-CB 3.25Å; A224-S228 WeakPolarHBondContact O-CB 3.41Å; A224-S228 PolarHBondContact O-N 2.82Å; S228-I231 PolarHBondContact O-N 2.87Å; S228-H232 WeakPolarHBondContact O-CB 3.1Å; S228-H232 PolarHBondContact O-N 3.38Å |
| 229 | K | 92.4 | Very high | 88.7 | Confident | 166 Ų | 166 | 111.1 Ų | 111.1 | 72% | 0.722 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.9 | -38.2 | 175.9 | -172 | 176 | -177.7 | 177.4 | 0 | 112.6 | L225 T226 L227 Q233 | L225-K229 WeakPolarHBondContact O-CB 3.35Å; L225-K229 PolarHBondContact O-N 3.29Å; L225-K229 VanDerWaalsContact O-N 3.08Å; T226-K229 PolarHBondContact O-N 2.92Å; L227-K229 VanDerWaalsContact C-N 3.35Å; L227-K229 PolarHBondContact O-N 3.27Å; K229-Q233 WeakPolarHBondContact O-CB 3.46Å; K229-Q233 PolarHBondContact O-N 2.96Å; K229-Q233 VanDerWaalsContact O-N 3.1Å |
| 230 | E | 91.8 | Very high | 89.3 | Confident | 121 Ų | 121 | 115.3 Ų | 115.3 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.1 | -47.6 | 174.8 | -172.5 | -178.8 | 174.9 | 0 | 0 | 111.7 | T226 L227 H232 Q233 K234 | T226-E230 PolarHBondContact O-N 2.84Å; L227-E230 PolarHBondContact O-N 3.49Å; E230-H232 PolarHBondContact O-N 2.82Å; E230-Q233 PolarHBondContact O-N 2.84Å; E230-K234 WeakPolarHBondContact O-CB 3.37Å; E230-K234 PolarHBondContact O-N 3.09Å |
| 231 | I | 88.1 | Confident | 89.8 | Confident | 101 Ų | 101 | 111.7 Ų | 111.7 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -56.2 | -49.7 | 177.8 | -71.4 | 166.3 | 0 | 0 | 0 | 110.4 | L227 S228 Q233 K234 E235 | L227-I231 HydrophobicContact CD1-CD1 4.46Å; L227-I231 HydrophobicContact CG-CD1 3.96Å; L227-I231 WeakPolarHBondContact O-CB 3.5Å; L227-I231 VanDerWaalsContact O-CG1 3.27Å; L227-I231 WeakPolarHBondContact O-CG1 3.38Å; L227-I231 PolarHBondContact O-N 3.35Å; S228-I231 PolarHBondContact O-N 2.87Å; I231-Q233 PolarHBondContact O-N 3.07Å; I231-K234 WeakPolarHBondContact O-CB 3.47Å; I231-K234 PolarHBondContact O-N 3Å; I231-K234 VanDerWaalsContact O-N 3.11Å; I231-E235 PolarHBondContact O-N 3.18Å |
| 232 | H | 90.4 | Very high | 90.2 | Very high | 116 Ų | 116 | 111 Ų | 111 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 179.3 | -173.5 | 57.5 | 0 | 0 | 0 | 112.4 | S228 E230 K234 E235 E236 | S228-H232 WeakPolarHBondContact O-CB 3.1Å; S228-H232 PolarHBondContact O-N 3.38Å; E230-H232 PolarHBondContact O-N 2.82Å; H232-K234 PolarHBondContact O-N 3.14Å; H232-E235 IonicContact ND1-OE2 3.81Å; H232-E235 PolarHBondContact O-N 3.29Å; H232-E236 WeakPolarHBondContact O-CB 3.1Å; H232-E236 PolarHBondContact O-N 3.23Å |
| 233 | Q | 92.8 | Very high | 90.6 | Very high | 100 Ų | 100 | 108.7 Ų | 108.7 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.1 | -22.2 | 175.7 | -154.4 | -165.7 | 62.6 | 0 | 0 | 112.9 | K229 E230 I231 R237 | K229-Q233 WeakPolarHBondContact O-CB 3.46Å; K229-Q233 PolarHBondContact O-N 2.96Å; K229-Q233 VanDerWaalsContact O-N 3.1Å; E230-Q233 PolarHBondContact O-N 2.84Å; I231-Q233 PolarHBondContact O-N 3.07Å; Q233-R237 WeakPolarHBondContact O-CG 3.27Å; Q233-R237 PolarHBondContact O-N 3Å; Q233-R237 PolarHBondContact O-NH1 2.77Å; Q233-R237 VanDerWaalsContact OE1-CZ 3.23Å |
| 234 | K | 89.9 | Confident | 90.7 | Very high | 134 Ų | 134 | 106.6 Ų | 106.6 | 58% | 0.583 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -79.7 | -41.4 | 174 | -170 | 174.7 | -177.3 | 175.1 | 0 | 111.4 | E230 I231 H232 R237 L238 | E230-K234 WeakPolarHBondContact O-CB 3.37Å; E230-K234 PolarHBondContact O-N 3.09Å; I231-K234 WeakPolarHBondContact O-CB 3.47Å; I231-K234 PolarHBondContact O-N 3Å; I231-K234 VanDerWaalsContact O-N 3.11Å; H232-K234 PolarHBondContact O-N 3.14Å; K234-R237 PolarHBondContact O-N 2.73Å; K234-L238 PolarHBondContact O-N 3.05Å |
| 235 | E | 90.3 | Very high | 90.8 | Very high | 100 Ų | 100 | 112.8 Ų | 112.8 | 47% | 0.467 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 171.5 | -174.3 | -174.4 | -171.1 | 0 | 0 | 111.4 | I231 H232 R237 L238 R239 | I231-E235 PolarHBondContact O-N 3.18Å; H232-E235 IonicContact ND1-OE2 3.81Å; H232-E235 PolarHBondContact O-N 3.29Å; E235-R237 VanDerWaalsContact C-N 3.29Å; E235-R237 PolarHBondContact O-N 2.94Å; E235-L238 WeakPolarHBondContact O-CB 3.11Å; E235-L238 PolarHBondContact O-N 2.96Å; E235-L238 VanDerWaalsContact O-N 3.16Å; E235-R239 PolarHBondContact O-N 3.18Å |
| 236 | E | 88.3 | Confident | 90.8 | Very high | 81 Ų | 81 | 112.1 Ų | 112.1 | 38% | 0.379 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.7 | -36.5 | 173.7 | -99.9 | -122.2 | 126.8 | 0 | 0 | 113.3 | H232 R240 | H232-E236 WeakPolarHBondContact O-CB 3.1Å; H232-E236 PolarHBondContact O-N 3.23Å; E236-R240 WeakPolarHBondContact O-CG 3.41Å; E236-R240 PolarHBondContact O-N 2.6Å; E236-R240 VanDerWaalsContact O-N 3.17Å; E236-R240 PolarHBondContact O-NH1 3.37Å; E236-R240 IonicContact OE1-CZ 3.51Å; E236-R240 IonicContact OE1-NH1 3.56Å; E236-R240 IonicContact OE1-NH2 2.85Å; E236-R240 PolarHBondContact OE1-NH2 3.31Å; E236-R240 IonicContact OE2-CZ 3.25Å; E236-R240 VanDerWaalsContact OE2-CZ 3.25Å; E236-R240 IonicContact OE2-NH1 2.72Å; E236-R240 PolarHBondContact OE2-NH1 2.65Å; E236-R240 IonicContact OE2-NH2 2.87Å; E236-R240 PolarHBondContact OE2-NH2 3.39Å |
| 237 | R | 89.4 | Confident | 90.7 | Very high | 147 Ų | 147 | 113.1 Ų | 113.1 | 56% | 0.555 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -73.8 | -37.9 | 175.3 | -76.9 | -174.5 | -170 | 92.4 | -7.6 | 112.2 | Q233 K234 E235 R240 G241 | Q233-R237 WeakPolarHBondContact O-CG 3.27Å; Q233-R237 PolarHBondContact O-N 3Å; Q233-R237 PolarHBondContact O-NH1 2.77Å; Q233-R237 VanDerWaalsContact OE1-CZ 3.23Å; K234-R237 PolarHBondContact O-N 2.73Å; E235-R237 VanDerWaalsContact C-N 3.29Å; E235-R237 PolarHBondContact O-N 2.94Å; R237-R240 PolarHBondContact O-N 3.07Å; R237-G241 PolarHBondContact O-N 3.04Å |
| 238 | L | 90.4 | Very high | 90.5 | Very high | 103 Ų | 103 | 115.7 Ų | 115.7 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.6 | -51.9 | 173.5 | -111.1 | 139.8 | 0 | 0 | 0 | 110.5 | K234 E235 R240 G241 D242 | K234-L238 PolarHBondContact O-N 3.05Å; E235-L238 WeakPolarHBondContact O-CB 3.11Å; E235-L238 PolarHBondContact O-N 2.96Å; E235-L238 VanDerWaalsContact O-N 3.16Å; L238-R240 VanDerWaalsContact C-N 3.35Å; L238-R240 PolarHBondContact O-N 2.83Å; L238-G241 CarbonylContact O-C 3.58Å; L238-G241 WeakPolarHBondContact O-CA 3.25Å; L238-G241 PolarHBondContact O-N 3.28Å; L238-D242 PolarHBondContact O-N 2.99Å |
| 239 | R | 90.3 | Very high | 90.3 | Very high | 182 Ų | 182 | 114.3 Ų | 114.3 | 69% | 0.687 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -56 | -43.1 | 176 | -83 | -173.5 | 155 | -158.6 | -6.7 | 113.5 | E235 G241 D242 D243 | E235-R239 PolarHBondContact O-N 3.18Å; R239-G241 VanDerWaalsContact C-N 3.35Å; R239-D242 PolarHBondContact O-N 3.34Å; R239-D243 VanDerWaalsContact O-CB 3.25Å; R239-D243 WeakPolarHBondContact O-CB 3.12Å; R239-D243 PolarHBondContact O-N 3.13Å |
| 240 | R | 90.5 | Very high | 90 | Very high | 142 Ų | 142 | 110.4 Ų | 110.4 | 54% | 0.536 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68 | -32.3 | 174.5 | -71.9 | -173.8 | -170.9 | 93.4 | 2.1 | 113.2 | E236 R237 L238 L244 | E236-R240 WeakPolarHBondContact O-CG 3.41Å; E236-R240 PolarHBondContact O-N 2.6Å; E236-R240 VanDerWaalsContact O-N 3.17Å; E236-R240 PolarHBondContact O-NH1 3.37Å; E236-R240 IonicContact OE1-CZ 3.51Å; E236-R240 IonicContact OE1-NH1 3.56Å; E236-R240 IonicContact OE1-NH2 2.85Å; E236-R240 PolarHBondContact OE1-NH2 3.31Å; E236-R240 IonicContact OE2-CZ 3.25Å; E236-R240 VanDerWaalsContact OE2-CZ 3.25Å; E236-R240 IonicContact OE2-NH1 2.72Å; E236-R240 PolarHBondContact OE2-NH1 2.65Å; E236-R240 IonicContact OE2-NH2 2.87Å; E236-R240 PolarHBondContact OE2-NH2 3.39Å; R237-R240 PolarHBondContact O-N 3.07Å; L238-R240 VanDerWaalsContact C-N 3.35Å; L238-R240 PolarHBondContact O-N 2.83Å; R240-L244 VanDerWaalsContact O-CB 3.27Å; R240-L244 WeakPolarHBondContact O-CB 3.47Å; R240-L244 PolarHBondContact O-N 2.87Å |
| 241 | G | 92.4 | Very high | 89.7 | Confident | 37 Ų | 37 | 108.9 Ų | 108.9 | 38% | 0.381 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R237 L238 R239 R245 | R237-G241 PolarHBondContact O-N 3.04Å; L238-G241 CarbonylContact O-C 3.58Å; L238-G241 WeakPolarHBondContact O-CA 3.25Å; L238-G241 PolarHBondContact O-N 3.28Å; R239-G241 VanDerWaalsContact C-N 3.35Å; G241-R245 VanDerWaalsContact O-CB 3.27Å; G241-R245 WeakPolarHBondContact O-CB 3.42Å; G241-R245 PolarHBondContact O-N 3.01Å |
| 242 | D | 91.1 | Very high | 89.4 | Confident | 89 Ų | 89 | 110.2 Ų | 110.2 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.4 | -38.3 | 177.5 | -66.5 | -35.3 | 0 | 0 | 0 | 111.8 | L238 R239 R245 L246 | L238-D242 PolarHBondContact O-N 2.99Å; R239-D242 PolarHBondContact O-N 3.34Å; D242-R245 PolarHBondContact O-N 3.42Å; D242-L246 WeakPolarHBondContact O-CB 3.49Å; D242-L246 PolarHBondContact O-N 3.3Å |
| 243 | D | 91.8 | Very high | 88.9 | Confident | 103 Ų | 103 | 108.8 Ų | 108.8 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.6 | -45.9 | 172.8 | -172.9 | 55.7 | 0 | 0 | 0 | 111.8 | R239 R245 L246 Q247 | R239-D243 VanDerWaalsContact O-CB 3.25Å; R239-D243 WeakPolarHBondContact O-CB 3.12Å; R239-D243 PolarHBondContact O-N 3.13Å; D243-R245 VanDerWaalsContact C-N 3.31Å; D243-R245 PolarHBondContact O-N 2.88Å; D243-L246 PolarHBondContact O-N 3.26Å; D243-Q247 WeakPolarHBondContact O-CB 3.3Å; D243-Q247 PolarHBondContact O-N 2.87Å |
| 244 | L | 92.3 | Very high | 88.1 | Confident | 112 Ų | 112 | 111.3 Ų | 111.3 | 59% | 0.586 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.9 | -37.3 | 174 | -175.3 | 66.8 | 0 | 0 | 0 | 112.1 | R240 Q247 M248 | R240-L244 VanDerWaalsContact O-CB 3.27Å; R240-L244 WeakPolarHBondContact O-CB 3.47Å; R240-L244 PolarHBondContact O-N 2.87Å; L244-Q247 PolarHBondContact O-N 3.49Å; L244-M248 WeakPolarHBondContact O-CB 3.45Å; L244-M248 PolarHBondContact O-N 3.25Å |
| 245 | R | 88.8 | Confident | 86.9 | Confident | 183 Ų | 183 | 113.4 Ų | 113.4 | 69% | 0.691 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.5 | -40.4 | 175.8 | -174.3 | 176.9 | -173.2 | 155.6 | 4.4 | 111.8 | G241 D242 D243 M248 A249 | G241-R245 VanDerWaalsContact O-CB 3.27Å; G241-R245 WeakPolarHBondContact O-CB 3.42Å; G241-R245 PolarHBondContact O-N 3.01Å; D242-R245 PolarHBondContact O-N 3.42Å; D243-R245 VanDerWaalsContact C-N 3.31Å; D243-R245 PolarHBondContact O-N 2.88Å; R245-M248 PolarHBondContact O-N 3.06Å; R245-A249 PolarHBondContact O-N 2.84Å |
| 246 | L | 90.9 | Very high | 85.3 | Confident | 100 Ų | 100 | 116.6 Ų | 116.6 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.7 | -44.5 | 173.6 | 177.6 | 61.3 | 0 | 0 | 0 | 111 | D242 D243 M248 A249 I250 | D242-L246 WeakPolarHBondContact O-CB 3.49Å; D242-L246 PolarHBondContact O-N 3.3Å; D243-L246 PolarHBondContact O-N 3.26Å; L246-M248 VanDerWaalsContact C-N 3.33Å; L246-M248 PolarHBondContact O-N 3.36Å; L246-A249 PolarHBondContact O-N 3.43Å; L246-I250 HydrophobicContact CD1-CD1 3.93Å; L246-I250 HydrophobicContact CD1-CG1 4.32Å; L246-I250 HydrophobicContact CG-CD1 3.87Å; L246-I250 WeakPolarHBondContact O-CB 3.31Å; L246-I250 VanDerWaalsContact O-CG1 3.28Å; L246-I250 WeakPolarHBondContact O-CG1 3.19Å; L246-I250 PolarHBondContact O-N 2.87Å |
| 247 | Q | 90.8 | Very high | 83.5 | Confident | 110 Ų | 110 | 120.7 Ų | 120.7 | 51% | 0.514 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -57.8 | -45.4 | 174.5 | -175.8 | -179.6 | 4.8 | 0 | 0 | 111.4 | D243 L244 I250 E251 | D243-Q247 WeakPolarHBondContact O-CB 3.3Å; D243-Q247 PolarHBondContact O-N 2.87Å; L244-Q247 PolarHBondContact O-N 3.49Å; Q247-I250 PolarHBondContact O-N 3.36Å; Q247-E251 PolarHBondContact O-N 3.35Å |
| 248 | M | 87.3 | Confident | 81.6 | Confident | 126 Ų | 126 | 119.5 Ų | 119.5 | 62% | 0.621 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63 | -43.4 | 178.2 | -168.9 | 172.7 | 71.5 | 0 | 0 | 112 | L244 R245 L246 I250 E251 E252 | L244-M248 WeakPolarHBondContact O-CB 3.45Å; L244-M248 PolarHBondContact O-N 3.25Å; R245-M248 PolarHBondContact O-N 3.06Å; L246-M248 VanDerWaalsContact C-N 3.33Å; L246-M248 PolarHBondContact O-N 3.36Å; M248-I250 VanDerWaalsContact C-N 3.34Å; M248-I250 PolarHBondContact O-N 2.86Å; M248-E251 PolarHBondContact O-N 3.42Å; M248-E252 WeakPolarHBondContact O-CB 3.27Å; M248-E252 PolarHBondContact O-N 3.19Å |
| 249 | A | 86.8 | Confident | 79 | Confident | 47 Ų | 47 | 124.1 Ų | 124.1 | 39% | 0.388 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.6 | -35.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R245 L246 S253 | R245-A249 PolarHBondContact O-N 2.84Å; L246-A249 PolarHBondContact O-N 3.43Å; A249-S253 WeakPolarHBondContact O-CB 3.29Å; A249-S253 PolarHBondContact O-N 3.49Å |
| 250 | I | 86.1 | Confident | 77 | Confident | 85 Ų | 85 | 121.5 Ų | 121.5 | 44% | 0.436 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.2 | -34.4 | 174.2 | -69.4 | 167.3 | 0 | 0 | 0 | 111.4 | L246 Q247 M248 K254 | L246-I250 HydrophobicContact CD1-CD1 3.93Å; L246-I250 HydrophobicContact CD1-CG1 4.32Å; L246-I250 HydrophobicContact CG-CD1 3.87Å; L246-I250 WeakPolarHBondContact O-CB 3.31Å; L246-I250 VanDerWaalsContact O-CG1 3.28Å; L246-I250 WeakPolarHBondContact O-CG1 3.19Å; L246-I250 PolarHBondContact O-N 2.87Å; Q247-I250 PolarHBondContact O-N 3.36Å; M248-I250 VanDerWaalsContact C-N 3.34Å; M248-I250 PolarHBondContact O-N 2.86Å; I250-K254 WeakPolarHBondContact O-CB 3.38Å; I250-K254 WeakPolarHBondContact O-CG 3.37Å; I250-K254 PolarHBondContact O-N 2.87Å; I250-K254 VanDerWaalsContact O-N 3.12Å |
| 251 | E | 85.7 | Confident | 74.4 | Confident | 88 Ų | 88 | 124 Ų | 124 | 41% | 0.411 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -72.8 | -38.6 | 174.5 | -163.3 | -177 | 141 | 0 | 0 | 112 | Q247 M248 K254 R255 | Q247-E251 PolarHBondContact O-N 3.35Å; M248-E251 PolarHBondContact O-N 3.42Å; E251-K254 CarbonylContact O-C 3.59Å; E251-K254 PolarHBondContact O-N 3.47Å; E251-R255 PolarHBondContact O-N 2.92Å; E251-R255 IonicContact OE1-CZ 3.15Å; E251-R255 IonicContact OE1-NH1 2.69Å; E251-R255 PolarHBondContact OE1-NH1 3.09Å; E251-R255 IonicContact OE1-NH2 2.79Å; E251-R255 PolarHBondContact OE1-NH2 3.24Å |
| 252 | E | 81.9 | Confident | 71.9 | Confident | 130 Ų | 130 | 131.2 Ų | 131.2 | 61% | 0.607 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -61.5 | -50.5 | 173.4 | -174.4 | 166.4 | -136.4 | 0 | 0 | 111.1 | M248 K254 R255 E256 | M248-E252 WeakPolarHBondContact O-CB 3.27Å; M248-E252 PolarHBondContact O-N 3.19Å; E252-K254 PolarHBondContact O-N 3.34Å; E252-R255 WeakPolarHBondContact O-CA 3.46Å; E252-R255 WeakPolarHBondContact O-CB 3.19Å; E252-R255 PolarHBondContact O-N 3.45Å; E252-E256 PolarHBondContact O-N 3.43Å |
| 253 | S | 79.3 | Confident | 69.5 | Low | 86 Ų | 86 | 132.7 Ų | 132.7 | 60% | 0.601 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -58.5 | -29.9 | 172.7 | 178.3 | 0 | 0 | 0 | 0 | 113.2 | A249 | A249-S253 WeakPolarHBondContact O-CB 3.29Å; A249-S253 PolarHBondContact O-N 3.49Å |
| 254 | K | 75.4 | Confident | 67 | Low | 152 Ų | 152 | 132.8 Ų | 132.8 | 66% | 0.661 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77.5 | -20.7 | 172.3 | -82.9 | 178 | 176.9 | 174.3 | 0 | 114.1 | I250 E251 E252 | I250-K254 WeakPolarHBondContact O-CB 3.38Å; I250-K254 WeakPolarHBondContact O-CG 3.37Å; I250-K254 PolarHBondContact O-N 2.87Å; I250-K254 VanDerWaalsContact O-N 3.12Å; E251-K254 CarbonylContact O-C 3.59Å; E251-K254 PolarHBondContact O-N 3.47Å; E252-K254 PolarHBondContact O-N 3.34Å |
| 255 | R | 66 | Low | 64.4 | Low | 179 Ų | 179 | 135.4 Ų | 135.4 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -79.8 | -27.8 | 173.1 | -78.5 | -166.5 | 174.5 | 86 | 10.9 | 112.7 | E251 E252 K257 | E251-R255 PolarHBondContact O-N 2.92Å; E251-R255 IonicContact OE1-CZ 3.15Å; E251-R255 IonicContact OE1-NH1 2.69Å; E251-R255 PolarHBondContact OE1-NH1 3.09Å; E251-R255 IonicContact OE1-NH2 2.79Å; E251-R255 PolarHBondContact OE1-NH2 3.24Å; E252-R255 WeakPolarHBondContact O-CA 3.46Å; E252-R255 WeakPolarHBondContact O-CB 3.19Å; E252-R255 PolarHBondContact O-N 3.45Å; R255-K257 PolarHBondContact O-N 3.28Å |
| 256 | E | 55.7 | Low | 62.1 | Low | 166 Ų | 166 | 134.8 Ų | 134.8 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | trans | -74.5 | 46.9 | 172.7 | -69 | -149.9 | 121.8 | 0 | 0 | 114 | E252 P258 | E252-E256 PolarHBondContact O-N 3.43Å; E256-P258 WeakPolarHBondContact O-CD 3.29Å | ||
| 257 | K | 51.5 | Low | 59.4 | Low | 168 Ų | 168 | 136.6 Ų | 136.6 | 73% | 0.73 | 70% | 0.703 | S | S | * | * | trans | -105.8 | 98.4 | 166.6 | -74.5 | -161.9 | 172.7 | -166 | 0 | 110.6 | R255 | R255-K257 PolarHBondContact O-N 3.28Š| ||
| 258 | P | 48 | Very low | 56.8 | Low | 122 Ų | 122 | 138.3 Ų | 138.3 | 79% | 0.792 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 150.1 | 163.2 | 26.9 | -33.6 | 0 | 0 | 0 | 110 | E256 | E256-P258 WeakPolarHBondContact O-CD 3.29Š|
| 259 | K | 36.9 | Very low | 54.2 | Low | 200 Ų | 200 | 137 Ų | 137 | 87% | 0.87 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -75 | 154 | 176.5 | -92.9 | -176.5 | 175.2 | 179 | 0 | 111.1 | ||
| 260 | P | 48.3 | Very low | 52.1 | Low | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -77 | 146.1 | -171.4 | 31.8 | -36 | 0 | 0 | 0 | 112.4 | ||
| 261 | E | 34.6 | Very low | 49.9 | Very low | 193 Ų | 193 | 142.1 Ų | 142.1 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | -120 | 139 | 153.8 | 58.9 | -167.9 | 155.8 | 0 | 0 | 108.6 | ||||
| 262 | E | 41.7 | Very low | 48 | Very low | 189 Ų | 189 | 144.8 Ų | 144.8 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -114.6 | 116.7 | -162.8 | 178.5 | -172.8 | 163.1 | 0 | 0 | 110.6 | ||||
| 263 | S | 39.8 | Very low | 46 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -169.7 | 156.7 | 162.4 | -87.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 264 | A | 38.6 | Very low | 44.4 | Very low | 105 Ų | 105 | 152.3 Ų | 152.3 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | 68.2 | 108.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 265 | L | 39 | Very low | 42.4 | Very low | 167 Ų | 167 | 148.8 Ų | 148.8 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -86.6 | -178.6 | 164.2 | -67.2 | 163.8 | 0 | 0 | 0 | 110.6 | ||||
| 266 | M | 39.2 | Very low | 40.9 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 84% | 0.837 | 81% | 0.814 | S | S | * | * | trans | 73.5 | 140 | 168.7 | -81.3 | 168 | 156.3 | 0 | 0 | 116.3 | ||||
| 267 | E | 34.3 | Very low | 40.8 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 64% | 0.64 | 81% | 0.814 | S | S | * | * | cis | -164 | 169 | -11.3 | -143.3 | -173.6 | 127 | 0 | 0 | 110.7 | ||||
| 268 | L | 35.8 | Very low | 39.8 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | trans | 64.5 | 149.9 | 160.2 | -60.5 | 161.4 | 0 | 0 | 0 | 117.5 | ||||
| 269 | S | 32.8 | Very low | 38.8 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 68% | 0.678 | 82% | 0.819 | S | S | * | * | cis | -162.9 | 152.7 | -19.4 | 48.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 270 | A | 43.8 | Very low | 38.5 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -71.3 | 142.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 271 | V | 40.3 | Very low | 37.6 | Very low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | -141.5 | 135.4 | 164.9 | -170.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 272 | D | 45.1 | Very low | 37.4 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -104.9 | 130.4 | -175.6 | -177.5 | 17.9 | 0 | 0 | 0 | 111.1 | ||||
| 273 | P | 39.1 | Very low | 36.9 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | trans | -114.7 | 52.7 | -169.7 | 42.5 | -34.7 | 0 | 0 | 0 | 116 | ||||
| 274 | W | 46.2 | Very low | 36.6 | Very low | 258 Ų | 258 | 128.4 Ų | 128.4 | 98% | 0.977 | 79% | 0.794 | S | S | * | * | trans | -98.3 | 83.2 | 158.7 | -99.3 | 83.4 | 0 | 0 | 0 | 111.1 | ||||
| 275 | G | 33 | Very low | 36.3 | Very low | 78 Ų | 78 | 128.2 Ų | 128.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -169.9 | 142.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 276 | A | 36.2 | Very low | 35.7 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -147.6 | 171.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 277 | P | 53.4 | Low | 36.1 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | cis | -136.5 | -170.4 | 4.2 | 40.9 | -22.2 | 0 | 0 | 0 | 115.5 | ||||
| 278 | A | 28.9 | Very low | 36.2 | Very low | 92 Ų | 92 | 120.2 Ų | 120.2 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | 95 | 113.3 | 142.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 279 | N | 28.3 | Very low | 37 | Very low | 163 Ų | 163 | 118.6 Ų | 118.6 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | 92.8 | 149.4 | 127.9 | -156.3 | 29.7 | 0 | 0 | 0 | 122.4 | |||||
| 280 | A | 31.2 | Very low | 37.7 | Very low | 69 Ų | 69 | 119 Ų | 119 | 57% | 0.57 | 79% | 0.789 | S | S | * | * | trans | 64.1 | 98.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 281 | T | 28.6 | Very low | 37.1 | Very low | 129 Ų | 129 | 121.5 Ų | 121.5 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | 58.6 | 129.3 | 92.4 | 62.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 282 | V | 30.7 | Very low | 36.7 | Very low | 135 Ų | 135 | 120.4 Ų | 120.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | cis | -146.7 | 175.3 | 49.3 | -66.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 283 | S | 30.8 | Very low | 36 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -32.4 | 152.5 | 174.5 | -37.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 284 | S | 32.8 | Very low | 35.6 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | cis | -163.7 | -177.6 | 19.7 | -140.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 285 | A | 32.3 | Very low | 34.9 | Very low | 100 Ų | 100 | 112.4 Ų | 112.4 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | cis | -147.6 | -86.4 | 7.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 286 | G | 26.5 | Very low | 35.8 | Very low | 70 Ų | 70 | 114.9 Ų | 114.9 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 179.2 | -173 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 287 | P | 48.8 | Very low | 35.5 | Very low | 120 Ų | 120 | 115.5 Ų | 115.5 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | cis | -133.8 | 166.6 | 13.9 | 42.1 | -26.2 | 0 | 0 | 0 | 117.7 | ||||
| 288 | S | 35.8 | Very low | 34.5 | Very low | 116 Ų | 116 | 113.7 Ų | 113.7 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | 80.1 | 163 | 152.3 | -66.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 289 | P | 52.1 | Low | 34.7 | Very low | 114 Ų | 114 | 115.1 Ų | 115.1 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | trans | -128.5 | -155.8 | -136.6 | 49.7 | -37.3 | 0 | 0 | 0 | 113.6 | ||||
| 290 | P | 49 | Very low | 35.1 | Very low | 106 Ų | 106 | 110.6 Ų | 110.6 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | cis | -133.1 | 167.9 | -11.9 | 38.9 | -21.6 | 0 | 0 | 0 | 116.5 | ||||
| 291 | L | 29.3 | Very low | 35.7 | Very low | 155 Ų | 155 | 112.4 Ų | 112.4 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | 168.1 | 142.8 | 121.7 | -89 | 174.5 | 0 | 0 | 0 | 114.9 | |||||
| 292 | T | 32.8 | Very low | 35.9 | Very low | 115 Ų | 115 | 118.5 Ų | 118.5 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 41.6 | 118.8 | 155.3 | 57.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 293 | L | 29.9 | Very low | 36.3 | Very low | 166 Ų | 166 | 115.5 Ų | 115.5 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | -162.9 | -176.3 | 104.8 | -134.5 | 71.6 | 0 | 0 | 0 | 112.8 | |||||
| 294 | S | 30.4 | Very low | 37.2 | Very low | 112 Ų | 112 | 116.6 Ų | 116.6 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -59.9 | 155.7 | -169.8 | -48.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 295 | G | 33.2 | Very low | 37.2 | Very low | 70 Ų | 70 | 115.1 Ų | 115.1 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -74.5 | -178.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 296 | P | 51.6 | Low | 38 | Very low | 130 Ų | 130 | 115.5 Ų | 115.5 | 84% | 0.844 | 77% | 0.772 | S | S | * | * | -149.6 | 176.8 | 59.1 | 42.2 | -23.8 | 0 | 0 | 0 | 118.3 | |||||
| 297 | S | 29.1 | Very low | 38.3 | Very low | 112 Ų | 112 | 118.2 Ų | 118.2 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | 84 | 126.2 | 147.6 | -148.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 298 | A | 32.5 | Very low | 37.7 | Very low | 83 Ų | 83 | 120.3 Ų | 120.3 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | trans | 74.6 | 140.6 | 144.7 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 299 | S | 32.6 | Very low | 38 | Very low | 122 Ų | 122 | 119.2 Ų | 119.2 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | 81.2 | 120 | 162.5 | -32.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 300 | G | 38.4 | Very low | 37.2 | Very low | 68 Ų | 68 | 125.8 Ų | 125.8 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -82.9 | -162.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 301 | P | 42.2 | Very low | 36.4 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | -157.8 | 163.1 | 62 | 40.4 | -19 | 0 | 0 | 0 | 119.1 | |||||
| 302 | W | 33.7 | Very low | 36.6 | Very low | 257 Ų | 257 | 124 Ų | 124 | 97% | 0.973 | 79% | 0.789 | S | S | * | * | trans | 58.5 | 138 | 175 | -38.1 | 86.2 | 0 | 0 | 0 | 115.2 | ||||
| 303 | G | 38 | Very low | 36.7 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | cis | 138.9 | 150.6 | 17.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 304 | P | 49.5 | Very low | 36.9 | Very low | 136 Ų | 136 | 119.8 Ų | 119.8 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | cis | -128.7 | -164.7 | 19.3 | 43.8 | -27 | 0 | 0 | 0 | 114.9 | ||||
| 305 | A | 33.9 | Very low | 37.9 | Very low | 88 Ų | 88 | 119.9 Ų | 119.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -95.9 | -176.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 306 | P | 48.6 | Very low | 37.7 | Very low | 107 Ų | 107 | 123 Ų | 123 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | cis | -144.4 | 170.5 | 29.8 | 43.3 | -23 | 0 | 0 | 0 | 119.8 | ||||
| 307 | T | 34 | Very low | 36.7 | Very low | 128 Ų | 128 | 122.3 Ų | 122.3 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 50.9 | 127.8 | 148.6 | 50.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 308 | D | 34.8 | Very low | 37.2 | Very low | 164 Ų | 164 | 123 Ų | 123 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | -155.3 | 169.4 | 127.1 | -124.1 | 14.3 | 0 | 0 | 0 | 109.9 | |||||
| 309 | P | 41.8 | Very low | 37.1 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 60% | 0.604 | 80% | 0.795 | S | S | * | * | trans | -117.6 | -172.5 | -158.8 | 29.4 | -9.6 | 0 | 0 | 0 | 115.9 | ||||
| 310 | W | 35.8 | Very low | 37.1 | Very low | 252 Ų | 252 | 125.6 Ų | 125.6 | 96% | 0.955 | 79% | 0.794 | S | S | * | * | trans | 72.8 | 80.4 | 173.8 | -52.9 | 90.4 | 0 | 0 | 0 | 117 | ||||
| 311 | G | 33.5 | Very low | 37.2 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -155.2 | 130.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 312 | V | 33.4 | Very low | 37.1 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -118.2 | 138.2 | -163.6 | 78.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 313 | A | 33.6 | Very low | 37.5 | Very low | 84 Ų | 84 | 122.1 Ų | 122.1 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | trans | 32.5 | 144.1 | 148.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 314 | S | 35.6 | Very low | 37.4 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | cis | 172.5 | -174.1 | 1.8 | -100.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 315 | P | 49.7 | Very low | 36.6 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | cis | -133.6 | 168.9 | -39.7 | 36.3 | -21.1 | 0 | 0 | 0 | 113.1 | ||||
| 316 | T | 29 | Very low | 36.5 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -141.9 | 133.7 | 150.5 | 37.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 317 | S | 30.8 | Very low | 35.8 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | 46.1 | 122.8 | 161.3 | -57 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 318 | P | 39.3 | Very low | 35.8 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -85.1 | 142.8 | 170.7 | 34.8 | -32.9 | 0 | 0 | 0 | 112.7 | ||||
| 319 | T | 31.2 | Very low | 35.9 | Very low | 139 Ų | 139 | 124.3 Ų | 124.3 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -128.2 | 126.8 | 155.5 | -58.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 320 | S | 33.1 | Very low | 35.9 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -128.1 | 125.8 | 176.9 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 321 | T | 40.3 | Very low | 36 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -120.7 | 130.6 | 172.4 | 50.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 322 | D | 39.3 | Very low | 36 | Very low | 155 Ų | 155 | 123 Ų | 123 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | -157.2 | 173.7 | 153 | -133.9 | 24.3 | 0 | 0 | 0 | 109.4 | ||||
| 323 | P | 43.3 | Very low | 36.3 | Very low | 82 Ų | 82 | 120.1 Ų | 120.1 | 53% | 0.532 | 80% | 0.801 | S | S | . | * | -130.5 | -149.9 | -109.7 | 39.8 | -19.5 | 0 | 0 | 0 | 112.3 | |||||
| 324 | W | 35.8 | Very low | 36.7 | Very low | 248 Ų | 248 | 121.8 Ų | 121.8 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | trans | 69 | 90.2 | -176.3 | -47.2 | 99.6 | 0 | 0 | 0 | 113.6 | ||||
| 325 | G | 32.1 | Very low | 37.2 | Very low | 85 Ų | 85 | 122.4 Ų | 122.4 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | trans | -105.9 | 178.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 326 | G | 32.7 | Very low | 37 | Very low | 89 Ų | 89 | 123.1 Ų | 123.1 | 92% | 0.918 | 81% | 0.811 | S | S | * | * | trans | 132.5 | 91.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 327 | G | 32.9 | Very low | 37.5 | Very low | 80 Ų | 80 | 124.1 Ų | 124.1 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | 175.1 | 133.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 328 | T | 34.9 | Very low | 37.8 | Very low | 144 Ų | 144 | 123.5 Ų | 123.5 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -78.3 | 145.5 | -179.6 | 45.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 329 | A | 35.5 | Very low | 38 | Very low | 94 Ų | 94 | 129.2 Ų | 129.2 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | -75.3 | 154.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 330 | P | 42.7 | Very low | 38.1 | Very low | 121 Ų | 121 | 126 Ų | 126 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -119.3 | 141.7 | 141 | 35.4 | -27.8 | 0 | 0 | 0 | 111.7 | ||||
| 331 | T | 36.4 | Very low | 38 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -92.2 | 130.6 | 178.3 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 332 | V | 34 | Very low | 37.6 | Very low | 139 Ų | 139 | 128.4 Ų | 128.4 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | -138 | 140.7 | 165.1 | -179 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 333 | A | 40.2 | Very low | 37.2 | Very low | 82 Ų | 82 | 126.6 Ų | 126.6 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | -108.9 | 154.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 334 | P | 43 | Very low | 36.7 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -78 | 161.2 | 171.7 | 32.8 | -34.7 | 0 | 0 | 0 | 113.2 | ||
| 335 | P | 45.7 | Very low | 36.5 | Very low | 121 Ų | 121 | 129 Ų | 129 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 167 | -171.5 | 34.1 | -37.3 | 0 | 0 | 0 | 115.4 | ||
| 336 | P | 44 | Very low | 36.5 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 168.1 | -171.7 | 36.7 | -37.9 | 0 | 0 | 0 | 116 | ||
| 337 | D | 41.3 | Very low | 36.5 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 143.3 | -177.1 | -144.8 | 6 | 0 | 0 | 0 | 112.3 | W339 | D337-W339 PolarHBondContact O-N 3.07Š|
| 338 | P | 37.2 | Very low | 36.5 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -107.2 | 46.2 | -151.4 | 42.2 | -38.3 | 0 | 0 | 0 | 116.7 | ||
| 339 | W | 42.2 | Very low | 36.6 | Very low | 249 Ų | 249 | 135.3 Ų | 135.3 | 94% | 0.943 | 79% | 0.788 | S | S | * | * | trans | -131.8 | 37.3 | 176.2 | -71.8 | 92.8 | 0 | 0 | 0 | 114.6 | D337 | D337-W339 PolarHBondContact O-N 3.07Š| ||
| 340 | G | 33.3 | Very low | 36.7 | Very low | 71 Ų | 71 | 136 Ų | 136 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -113.2 | 100 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 341 | E | 31.2 | Very low | 36.4 | Very low | 188 Ų | 188 | 136 Ų | 136 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -82.4 | 131.6 | -171.8 | -165.5 | 171.3 | 115.5 | 0 | 0 | 112.9 | ||||
| 342 | T | 31.9 | Very low | 36.4 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 63% | 0.632 | 78% | 0.781 | S | S | * | * | trans | -110 | 115.8 | 176 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 343 | S | 31.1 | Very low | 36.1 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -91.3 | 116.7 | 165.1 | -92.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 344 | H | 33.8 | Very low | 36 | Very low | 170 Ų | 170 | 141.3 Ų | 141.3 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | trans | -76.9 | 147.9 | -176.7 | -52.7 | -79.9 | 0 | 0 | 0 | 112.5 | ||||
| 345 | K | 29.7 | Very low | 35.6 | Very low | 211 Ų | 211 | 141.2 Ų | 141.2 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -132.3 | 146.6 | 162.5 | -135.4 | -179.7 | -175.6 | -175.8 | 0 | 109.8 | ||||
| 346 | V | 32.3 | Very low | 35 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | trans | -106.6 | 158.1 | -168 | -157.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 347 | N | 33.6 | Very low | 34.4 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -24.2 | 136.5 | 174.9 | -66.2 | -4.8 | 0 | 0 | 0 | 116.8 | ||||
| 348 | N | 31.7 | Very low | 34.2 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | 65.2 | 126.7 | 69.2 | -145.7 | 18.9 | 0 | 0 | 0 | 110.7 | |||||
| 349 | V | 37.3 | Very low | 35.1 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | cis | -147.7 | 154.7 | 36.9 | 175.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 350 | D | 38.7 | Very low | 35.5 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 58% | 0.583 | 79% | 0.785 | S | S | * | * | trans | -13.8 | 155 | 153.3 | -151.2 | 16.3 | 0 | 0 | 0 | 119.7 | W352 | D350-W352 PolarHBondContact OD1-N 2.99Å; D350-W352 PolarHBondContact OD2-NE1 3.32Å | ||
| 351 | P | 35.6 | Very low | 35.7 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | -148.7 | 118.8 | 83.5 | 36.2 | -15.6 | 0 | 0 | 0 | 118.3 | |||||
| 352 | W | 36.7 | Very low | 36 | Very low | 238 Ų | 238 | 132.2 Ų | 132.2 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | 55.1 | 110.5 | 142.8 | -73.1 | 57.2 | 0 | 0 | 0 | 120.7 | D350 | D350-W352 PolarHBondContact OD1-N 2.99Å; D350-W352 PolarHBondContact OD2-NE1 3.32Å | ||
| 353 | G | 28.4 | Very low | 36.4 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -173.7 | 123.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 354 | N | 37.5 | Very low | 36.8 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -107.5 | 162.4 | -170.4 | -102 | 22.4 | 0 | 0 | 0 | 114.7 | ||||
| 355 | S | 34.7 | Very low | 37.5 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 81 | 141.9 | 163.8 | -59.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 356 | A | 32.6 | Very low | 37.9 | Very low | 88 Ų | 88 | 130.6 Ų | 130.6 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -169.1 | -179.6 | -11.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 357 | V | 32.6 | Very low | 38 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | 90 | 157.5 | 163.3 | -169.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 358 | T | 36.6 | Very low | 38.3 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | -128.6 | 173.2 | -147.9 | 21.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 359 | P | 55.6 | Low | 38.7 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | trans | -98.1 | -166 | -160 | 41 | -38.9 | 0 | 0 | 0 | 115.4 | ||||
| 360 | P | 51.3 | Low | 38.8 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | -141.1 | -178.4 | 95.9 | 40.4 | -26.3 | 0 | 0 | 0 | 116.1 | |||||
| 361 | S | 36.7 | Very low | 38.8 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -104 | 159.4 | -171.3 | -179.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 362 | A | 38.4 | Very low | 38.5 | Very low | 101 Ų | 101 | 129 Ų | 129 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -153.4 | 143.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 363 | D | 38.8 | Very low | 38.1 | Very low | 141 Ų | 141 | 123.8 Ų | 123.8 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | trans | -114.9 | 131.5 | -171.4 | -154.9 | -20.2 | 0 | 0 | 0 | 110.1 | W365 | D363-W365 PolarHBondContact O-N 3.39Š| ||
| 364 | P | 40.7 | Very low | 38.1 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -88.4 | 17.6 | -161.7 | 33.7 | -36.8 | 0 | 0 | 0 | 117 | ||
| 365 | W | 47.8 | Very low | 37.8 | Very low | 239 Ų | 239 | 123.3 Ų | 123.3 | 91% | 0.905 | 80% | 0.798 | S | S | * | * | trans | -122.5 | 73.3 | -172.5 | -65.3 | 98.3 | 0 | 0 | 0 | 114.1 | D363 | D363-W365 PolarHBondContact O-N 3.39Š| ||
| 366 | G | 39.3 | Very low | 37.7 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -131.7 | 143.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 367 | S | 32.9 | Very low | 37.5 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | trans | -80.9 | 146.8 | -173.6 | -55.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 368 | P | 40.7 | Very low | 37.4 | Very low | 126 Ų | 126 | 120.6 Ų | 120.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -91.9 | 141.6 | -178 | 35.2 | -34.6 | 0 | 0 | 0 | 114.5 | ||||
| 369 | V | 40 | Very low | 38 | Very low | 141 Ų | 141 | 120.3 Ų | 120.3 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -149.1 | 159.7 | 164 | -107.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 370 | P | 40.1 | Very low | 36.9 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -97.4 | 158.6 | -143.7 | 36.5 | -39 | 0 | 0 | 0 | 116.6 | ||||
| 371 | P | 38.8 | Very low | 36.5 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | trans | -88.9 | 136.1 | 167.4 | 34.7 | -31.5 | 0 | 0 | 0 | 112.5 | ||||
| 372 | S | 29.3 | Very low | 36.2 | Very low | 102 Ų | 102 | 122.1 Ų | 122.1 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | -114.4 | 129.2 | 172.3 | -70 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 373 | T | 27.8 | Very low | 35.7 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 49.2 | 111.9 | 146.7 | 57.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 374 | S | 28.9 | Very low | 35.2 | Very low | 116 Ų | 116 | 125 Ų | 125 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | 175.1 | 145 | 120.7 | -76.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 375 | S | 30.2 | Very low | 34.8 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | cis | 177.7 | 112.8 | -35.4 | 44.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 376 | S | 32 | Very low | 33.8 | Very low | 128 Ų | 128 | 123 Ų | 123 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -170 | 123.8 | 164.4 | 56.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 377 | G | 29.4 | Very low | 33.3 | Very low | 90 Ų | 90 | 122.6 Ų | 122.6 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | trans | 111.3 | 111.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 378 | G | 30.8 | Very low | 33.7 | Very low | 74 Ų | 74 | 122.3 Ų | 122.3 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -169 | -172.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 379 | P | 47.6 | Very low | 33.6 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | cis | -126.3 | 160.4 | -10.5 | 39.2 | -25.8 | 0 | 0 | 0 | 113.2 | ||||
| 380 | V | 34 | Very low | 33.5 | Very low | 152 Ų | 152 | 121.4 Ų | 121.4 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -143.2 | 122.8 | 153.7 | -78 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 381 | D | 42 | Very low | 32.9 | Very low | 139 Ų | 139 | 121.1 Ų | 121.1 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | -154.7 | 129 | 166.1 | 169.1 | 21.7 | 0 | 0 | 0 | 105.4 | W383 | D381-W383 PolarHBondContact OD1-N 2.97Å; D381-W383 VanDerWaalsContact OD1-N 3.15Å | ||
| 382 | P | 30.2 | Very low | 32.5 | Very low | 111 Ų | 111 | 120.2 Ų | 120.2 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | -146.1 | 121.8 | 128.2 | 32.5 | -14.5 | 0 | 0 | 0 | 116.2 | |||||
| 383 | W | 27.9 | Very low | 32.4 | Very low | 205 Ų | 205 | 122.6 Ų | 122.6 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | 67.1 | 94 | 132.3 | -74.8 | 70.7 | 0 | 0 | 0 | 120.8 | D381 K385 | D381-W383 PolarHBondContact OD1-N 2.97Å; D381-W383 VanDerWaalsContact OD1-N 3.15Å; W383-K385 HydrophobicContact CE3-CD 4.48Å; W383-K385 HydrophobicContact CZ3-CD 4.29Å | ||
| 384 | A | 28.8 | Very low | 33 | Very low | 97 Ų | 97 | 121.9 Ų | 121.9 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -167.9 | 120.3 | 137.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 385 | K | 32.1 | Very low | 33.1 | Very low | 155 Ų | 155 | 123 Ų | 123 | 67% | 0.674 | 78% | 0.784 | S | S | * | * | cis | 59.3 | 136 | 27.2 | -95.6 | -169.9 | 174.1 | -174.9 | 0 | 113.3 | W383 | W383-K385 HydrophobicContact CE3-CD 4.48Å; W383-K385 HydrophobicContact CZ3-CD 4.29Å | ||
| 386 | D | 27.8 | Very low | 33.3 | Very low | 155 Ų | 155 | 123.8 Ų | 123.8 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | cis | -120.8 | -168.7 | 32.3 | -76.2 | -59.6 | 0 | 0 | 0 | 117.2 | ||||
| 387 | G | 28.6 | Very low | 33.5 | Very low | 65 Ų | 65 | 121.5 Ų | 121.5 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | trans | -127 | -125.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 388 | P | 41.5 | Very low | 33.6 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | -139.9 | 166.9 | -99.3 | 38.2 | -21.8 | 0 | 0 | 0 | 118.2 | |||||
| 389 | V | 37.2 | Very low | 33.7 | Very low | 134 Ų | 134 | 128 Ų | 128 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | 65.2 | 163.2 | 155.2 | -69.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 390 | P | 39.5 | Very low | 33.1 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | cis | -144.6 | 170.1 | 19.1 | 44.5 | -25.3 | 0 | 0 | 0 | 121.2 | ||||
| 391 | A | 27.2 | Very low | 33 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | 63.8 | 149 | 152.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 392 | S | 30 | Very low | 32.4 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | cis | -142.4 | 150.5 | 15.7 | 58.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 393 | D | 26.9 | Very low | 32.5 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -57.7 | 171.8 | 156 | -70.3 | -69.4 | 0 | 0 | 0 | 112.4 | ||||
| 394 | P | 40.3 | Very low | 32.8 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | cis | -143.8 | -165.3 | 22.5 | 34.9 | -9.6 | 0 | 0 | 0 | 117.5 | ||||
| 395 | I | 30.3 | Very low | 33 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | trans | 86.3 | 85.9 | 165.4 | -48.3 | -177.1 | 0 | 0 | 0 | 115.9 | ||||
| 396 | T | 35.7 | Very low | 33.1 | Very low | 126 Ų | 126 | 131 Ų | 131 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -75.5 | 147.7 | 130.5 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 397 | S | 35.3 | Very low | 33.5 | Very low | 79 Ų | 79 | 129.4 Ų | 129.4 | 55% | 0.552 | 78% | 0.783 | S | S | * | * | trans | -153.4 | 79.9 | 166.4 | 65 | 0 | 0 | 0 | 0 | 111.8 | I399 | S397-I399 PolarHBondContact O-N 3.38Š| ||
| 398 | D | 31.7 | Very low | 33.6 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -61.7 | 120.3 | 151.2 | -83.2 | -64.5 | 0 | 0 | 0 | 108.7 | ||||
| 399 | I | 33.3 | Very low | 33.1 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 72% | 0.723 | 79% | 0.79 | S | S | * | * | trans | -124.6 | 77.8 | 179.6 | -52.4 | -179.5 | 0 | 0 | 0 | 110.3 | S397 | S397-I399 PolarHBondContact O-N 3.38Š| ||
| 400 | W | 34.8 | Very low | 32.8 | Very low | 244 Ų | 244 | 133 Ų | 133 | 92% | 0.924 | 80% | 0.797 | S | S | * | * | trans | -161.6 | 99 | 137.7 | -141.6 | -65.6 | 0 | 0 | 0 | 113.1 | ||||
| 401 | S | 32.6 | Very low | 32.4 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -161.8 | 116.6 | 156.6 | -86.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 402 | G | 29.2 | Very low | 32.5 | Very low | 76 Ų | 76 | 133.3 Ų | 133.3 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -98.3 | 125.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 403 | S | 32.6 | Very low | 33.7 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 48.6 | 101.4 | 148.5 | 179.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 404 | A | 33.1 | Very low | 34 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | -125.3 | 125.8 | 142.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 405 | K | 33.3 | Very low | 33.7 | Very low | 189 Ų | 189 | 135.3 Ų | 135.3 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -84.5 | 134.4 | 179 | -67.9 | 177.8 | 178.8 | 175.5 | 0 | 110.6 | ||||
| 406 | H | 35.2 | Very low | 33.8 | Very low | 191 Ų | 191 | 138.8 Ų | 138.8 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | trans | -146.8 | 164.5 | 152.7 | -112.3 | -85.3 | 0 | 0 | 0 | 110.9 | ||||
| 407 | T | 34.3 | Very low | 33.5 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -117.2 | 176.9 | -161.2 | 50.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 408 | N | 32.5 | Very low | 33.3 | Very low | 167 Ų | 167 | 138 Ų | 138 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | 72.2 | 149.9 | -172.9 | -67.1 | -1.9 | 0 | 0 | 0 | 115.7 | ||||
| 409 | G | 30.3 | Very low | 33.4 | Very low | 64 Ų | 64 | 134.9 Ų | 134.9 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | cis | 152.4 | 110.7 | -11.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 410 | T | 30.6 | Very low | 33.4 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 96% | 0.963 | 79% | 0.791 | S | S | * | * | trans | 53.9 | 113.6 | 150.1 | -45.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 411 | G | 31.1 | Very low | 33.4 | Very low | 77 Ų | 77 | 129.1 Ų | 129.1 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 162.3 | 90.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 412 | D | 29.7 | Very low | 33.3 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -85.8 | 165.4 | 154.9 | -150.6 | -125.9 | 0 | 0 | 0 | 107.8 | ||||
| 413 | P | 54.5 | Low | 33.3 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | cis | -156.5 | 161.4 | 44.2 | 42.6 | -18.6 | 0 | 0 | 0 | 124.1 | ||||
| 414 | E | 33.4 | Very low | 33.2 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 60% | 0.598 | 78% | 0.782 | S | S | * | * | trans | 70.1 | 135.7 | 141 | -82.4 | -139.4 | 115.8 | 0 | 0 | 126.4 | ||||
| 415 | R | 34.9 | Very low | 33.1 | Very low | 178 Ų | 178 | 129.9 Ų | 129.9 | 67% | 0.672 | 77% | 0.773 | S | S | * | * | trans | 79.2 | 133.4 | 140.7 | -78.5 | 176.5 | -165.3 | -66.7 | -21.6 | 120.9 | ||||
| 416 | R | 31.3 | Very low | 32.9 | Very low | 214 Ų | 214 | 127.9 Ų | 127.9 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | cis | 179.2 | 126.8 | 34.3 | 161.3 | -167 | -71.5 | -96.9 | 5.1 | 114 | ||||
| 417 | G | 29.4 | Very low | 32.6 | Very low | 73 Ų | 73 | 122.7 Ų | 122.7 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | 65.3 | 164.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 418 | S | 32.1 | Very low | 32.4 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | cis | 175.9 | 164.3 | -11.6 | -94.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 419 | S | 33.3 | Very low | 32.9 | Very low | 93 Ų | 93 | 119.4 Ų | 119.4 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | cis | -174.7 | 168.8 | -17 | -80.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 420 | T | 32.4 | Very low | 33.3 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | 66.1 | 153.1 | 155.3 | 44.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 421 | T | 34.8 | Very low | 33.8 | Very low | 135 Ų | 135 | 120 Ų | 120 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | cis | 179.3 | 141.6 | -42.2 | 28.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 422 | G | 30.4 | Very low | 34 | Very low | 80 Ų | 80 | 125.4 Ų | 125.4 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | 90.2 | 162.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 423 | C | 30.2 | Very low | 34.3 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | cis | -176.3 | 171.9 | -25.1 | 63.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 424 | D | 29.5 | Very low | 34.1 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | cis | -163.2 | 171.7 | -2.3 | -143.7 | -78.4 | 0 | 0 | 0 | 113.1 | ||||
| 425 | S | 31.4 | Very low | 34.6 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | 66.3 | 126.3 | 145.3 | -78.8 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 426 | T | 29.2 | Very low | 35.2 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | trans | 114.3 | 117.5 | 137.4 | -35.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 427 | G | 29.4 | Very low | 35.8 | Very low | 81 Ų | 81 | 120.6 Ų | 120.6 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | 137.7 | 114.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 428 | S | 29.3 | Very low | 36.5 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -123.4 | 164.2 | 171.4 | -159 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 429 | P | 43.8 | Very low | 36.9 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | cis | -145.6 | -178.2 | 20.3 | 38.9 | -15.5 | 0 | 0 | 0 | 118.5 | ||||
| 430 | V | 38.5 | Very low | 37.2 | Very low | 132 Ų | 132 | 122 Ų | 122 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | 46.8 | 126.4 | 159 | -66.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 431 | P | 40.3 | Very low | 37.4 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | -100.9 | 169.5 | 160.1 | 36.8 | -30.5 | 0 | 0 | 0 | 114.3 | ||||
| 432 | F | 35.3 | Very low | 37.9 | Very low | 192 Ų | 192 | 123.1 Ų | 123.1 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | 81.4 | 78.7 | 168.8 | -50.8 | -63.6 | 0 | 0 | 0 | 119.4 | ||||
| 433 | D | 35.8 | Very low | 38.5 | Very low | 132 Ų | 132 | 125.9 Ų | 125.9 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -103 | 143.2 | 141.2 | 178.4 | 0.6 | 0 | 0 | 0 | 107.9 | S435 | D433-S435 VanDerWaalsContact OD1-CB 3.32Å; D433-S435 WeakPolarHBondContact OD1-CB 3.32Å; D433-S435 PolarHBondContact OD1-N 3.22Å; D433-S435 VanDerWaalsContact OD1-N 3.08Å; D433-S435 PolarHBondContact OD1-OG 2.59Å | ||
| 434 | L | 50.5 | Low | 39 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -104.9 | 13.9 | -174.7 | -70.3 | 173.2 | 0 | 0 | 0 | 113.9 | S436 | L434-S436 VanDerWaalsContact C-N 3.31Å; L434-S436 PolarHBondContact O-N 3.38Å; L434-S436 VanDerWaalsContact O-N 3.11Å | ||
| 435 | S | 45 | Very low | 39.8 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -79.8 | 20.3 | -168.8 | -59.8 | 0 | 0 | 0 | 0 | 117 | D433 | D433-S435 VanDerWaalsContact OD1-CB 3.32Å; D433-S435 WeakPolarHBondContact OD1-CB 3.32Å; D433-S435 PolarHBondContact OD1-N 3.22Å; D433-S435 VanDerWaalsContact OD1-N 3.08Å; D433-S435 PolarHBondContact OD1-OG 2.59Å | ||
| 436 | S | 47.2 | Very low | 41.1 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -146.9 | 43.1 | -171.2 | -134.5 | 0 | 0 | 0 | 0 | 118.4 | L434 | L434-S436 VanDerWaalsContact C-N 3.31Å; L434-S436 PolarHBondContact O-N 3.38Å; L434-S436 VanDerWaalsContact O-N 3.11Å | ||
| 437 | L | 44.4 | Very low | 42.2 | Very low | 174 Ų | 174 | 131.6 Ų | 131.6 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | trans | -112.6 | 23.9 | 170.1 | -79 | 170.4 | 0 | 0 | 0 | 114.3 | ||||
| 438 | G | 42.6 | Very low | 43.4 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -80.7 | -6.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 439 | S | 41.7 | Very low | 44.7 | Very low | 119 Ų | 119 | 133 Ų | 133 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -144.3 | 72.3 | -161.2 | -62.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 440 | S | 38.9 | Very low | 45.3 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -175.7 | 107.1 | 141.1 | -172 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 441 | L | 37.6 | Very low | 46.5 | Very low | 164 Ų | 164 | 136.5 Ų | 136.5 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | trans | -143.9 | 140.8 | 160.7 | -75.2 | 179.3 | 0 | 0 | 0 | 109.3 | ||||
| 442 | P | 44.9 | Very low | 47.6 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 147.4 | 179.4 | 28.4 | -34.2 | 0 | 0 | 0 | 112.7 | ||
| 443 | V | 43 | Very low | 48.7 | Very low | 139 Ų | 139 | 131 Ų | 131 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 145.5 | -170.4 | 176.9 | 0 | 0 | 0 | 0 | 113 | ||
| 444 | R | 41.3 | Very low | 49.4 | Very low | 237 Ų | 237 | 130.1 Ų | 130.1 | 89% | 0.894 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 142.3 | 176 | -71 | 178.1 | 170.1 | 167.7 | -3.9 | 112.6 | ||
| 445 | K | 46.4 | Very low | 49.8 | Very low | 192 Ų | 192 | 124.8 Ų | 124.8 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 142.2 | 162.6 | -65.9 | 179.8 | 178.3 | 179.2 | 0 | 110.1 | ||
| 446 | T | 57.4 | Low | 50.4 | Low | 88 Ų | 88 | 124.9 Ų | 124.9 | 54% | 0.54 | 74% | 0.735 | S | S | . | * | P | Polyproline II helix | trans | -96.7 | 150.8 | 177.5 | 47.7 | 0 | 0 | 0 | 0 | 112 | E448 S449 | T446-E448 VanDerWaalsContact C-N 3.3Å; T446-E448 PolarHBondContact O-N 3.01Å; T446-S449 PolarHBondContact O-N 3.13Å; T446-S449 PolarHBondContact O-OG 3.25Å |
| 447 | P | 53.3 | Low | 50.9 | Low | 106 Ų | 106 | 126.3 Ų | 126.3 | 69% | 0.688 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -69.6 | -20.2 | -173.1 | 27.4 | -35.5 | 0 | 0 | 0 | 114.6 | S449 F450 | P447-S449 PolarHBondContact O-N 3.37Å; P447-S449 VanDerWaalsContact O-N 3.11Å; P447-F450 PolarHBondContact O-N 3.36Å; P447-F450 VanDerWaalsContact O-N 3.1Å |
| 448 | E | 54.3 | Low | 51.6 | Low | 147 Ų | 147 | 122.6 Ų | 122.6 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -58.5 | -25.6 | 177.2 | -63 | 179.2 | 120.9 | 0 | 0 | 112.9 | T446 F450 | T446-E448 VanDerWaalsContact C-N 3.3Å; T446-E448 PolarHBondContact O-N 3.01Å; E448-F450 PolarHBondContact O-N 3.23Å; E448-F450 VanDerWaalsContact O-N 3.09Å |
| 449 | S | 56.4 | Low | 52.1 | Low | 82 Ų | 82 | 124.7 Ų | 124.7 | 57% | 0.573 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -64.7 | -7.7 | 176.3 | 61.8 | 0 | 0 | 0 | 0 | 115.2 | T446 P447 | T446-S449 PolarHBondContact O-N 3.13Å; T446-S449 PolarHBondContact O-OG 3.25Å; P447-S449 PolarHBondContact O-N 3.37Å; P447-S449 VanDerWaalsContact O-N 3.11Å |
| 450 | F | 55.9 | Low | 52.7 | Low | 179 Ų | 179 | 124.2 Ų | 124.2 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -108.4 | -12.5 | -177.1 | -83.5 | -89.3 | 0 | 0 | 0 | 116 | P447 E448 | P447-F450 PolarHBondContact O-N 3.36Å; P447-F450 VanDerWaalsContact O-N 3.1Å; E448-F450 PolarHBondContact O-N 3.23Å; E448-F450 VanDerWaalsContact O-N 3.09Å |
| 451 | L | 63.4 | Low | 53.4 | Low | 130 Ų | 130 | 124.8 Ų | 124.8 | 68% | 0.681 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -13.1 | -171.8 | -70 | 173.7 | 0 | 0 | 0 | 115.4 | A455 | L451-A455 HydrophobicContact CB-CB 4.35Š|
| 452 | G | 65.2 | Low | 54.2 | Low | 43 Ų | 43 | 121.7 Ų | 121.7 | 44% | 0.443 | 68% | 0.684 | S | S | . | * | G | 310 helix | trans | 60.7 | -153.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N454 A455 | G452-N454 PolarHBondContact O-N 3.2Å; G452-A455 PolarHBondContact O-N 3.27Å |
| 453 | P | 57.3 | Low | 54.6 | Low | 133 Ų | 133 | 122.6 Ų | 122.6 | 86% | 0.864 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -68.9 | -1.1 | -167.5 | 27.2 | -35.3 | 0 | 0 | 0 | 115.8 | ||
| 454 | N | 50.9 | Low | 55 | Low | 113 Ų | 113 | 122 Ų | 122 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -95.3 | -0.4 | 175.9 | -69.9 | -61.5 | 0 | 0 | 0 | 113.9 | G452 A456 L457 | G452-N454 PolarHBondContact O-N 3.2Å; N454-A456 PolarHBondContact O-N 3.11Å; N454-A456 VanDerWaalsContact O-N 3.11Å; N454-L457 PolarHBondContact O-N 3.08Å |
| 455 | A | 59 | Low | 55.1 | Low | 43 Ų | 43 | 115.8 Ų | 115.8 | 36% | 0.355 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -57.4 | -27.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L451 G452 L457 | L451-A455 HydrophobicContact CB-CB 4.35Å; G452-A455 PolarHBondContact O-N 3.27Å; A455-L457 PolarHBondContact O-N 3.25Å |
| 456 | A | 58 | Low | 54.7 | Low | 101 Ų | 101 | 112.7 Ų | 112.7 | 84% | 0.835 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -73.1 | -2.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | N454 | N454-A456 PolarHBondContact O-N 3.11Å; N454-A456 VanDerWaalsContact O-N 3.11Å |
| 457 | L | 56.8 | Low | 53.8 | Low | 145 Ų | 145 | 117.7 Ų | 117.7 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -96.2 | -0.6 | -179.7 | -83 | 167.6 | 0 | 0 | 0 | 114.7 | N454 A455 | N454-L457 PolarHBondContact O-N 3.08Å; A455-L457 PolarHBondContact O-N 3.25Å |
| 458 | V | 60.6 | Low | 53.5 | Low | 97 Ų | 97 | 118.6 Ų | 118.6 | 59% | 0.588 | 69% | 0.694 | S | S | * | * | trans | -129.2 | 82.9 | -178.1 | -166.6 | 0 | 0 | 0 | 0 | 110.4 | L460 | V458-L460 HydrophobicContact CG1-CD2 3.7Å; V458-L460 HydrophobicContact CG1-CG 4.01Å; V458-L460 PolarHBondContact O-N 3.1Å | ||
| 459 | D | 52 | Low | 52.7 | Low | 121 Ų | 121 | 121.3 Ų | 121.3 | 65% | 0.647 | 70% | 0.703 | S | S | * | * | trans | -76.3 | 87.3 | 178.6 | -172.6 | 6.6 | 0 | 0 | 0 | 111.6 | D461 | D459-D461 VanDerWaalsContact C-N 3.28Å; D459-D461 PolarHBondContact O-N 3.47Å; D459-D461 PolarHBondContact OD1-N 2.65Å | ||
| 460 | L | 53.5 | Low | 51.9 | Low | 109 Ų | 109 | 123.4 Ų | 123.4 | 57% | 0.571 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -72.3 | -14.1 | -175.3 | -66.9 | 175.8 | 0 | 0 | 0 | 114.2 | V458 S462 L463 | V458-L460 HydrophobicContact CG1-CD2 3.7Å; V458-L460 HydrophobicContact CG1-CG 4.01Å; V458-L460 PolarHBondContact O-N 3.1Å; L460-S462 PolarHBondContact O-N 3.38Å; L460-L463 HydrophobicContact CD2-CD1 4.11Å; L460-L463 PolarHBondContact O-N 3.03Å |
| 461 | D | 54.2 | Low | 51.1 | Low | 128 Ų | 128 | 124.8 Ų | 124.8 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -63.2 | -35.8 | -179.8 | -165.1 | 65.6 | 0 | 0 | 0 | 111.2 | D459 L463 V464 | D459-D461 VanDerWaalsContact C-N 3.28Å; D459-D461 PolarHBondContact O-N 3.47Å; D459-D461 PolarHBondContact OD1-N 2.65Å; D461-L463 PolarHBondContact O-N 3.08Å; D461-L463 VanDerWaalsContact O-N 3.09Å; D461-V464 PolarHBondContact O-N 3.21Å |
| 462 | S | 54.8 | Low | 50 | Low | 98 Ų | 98 | 127.5 Ų | 127.5 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -64.3 | -11.7 | 175.2 | -72.1 | 0 | 0 | 0 | 0 | 114.7 | L460 | L460-S462 PolarHBondContact O-N 3.38Š|
| 463 | L | 52.7 | Low | 49 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -99.2 | -8.8 | 177.5 | -73.2 | 170 | 0 | 0 | 0 | 114.1 | L460 D461 | L460-L463 HydrophobicContact CD2-CD1 4.11Å; L460-L463 PolarHBondContact O-N 3.03Å; D461-L463 PolarHBondContact O-N 3.08Å; D461-L463 VanDerWaalsContact O-N 3.09Å |
| 464 | V | 52.8 | Low | 48.6 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -119.8 | 28.3 | -173.5 | -163.3 | 0 | 0 | 0 | 0 | 112.8 | D461 | D461-V464 PolarHBondContact O-N 3.21Š|
| 465 | S | 42.7 | Very low | 48.4 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -137.2 | 104.4 | 173.3 | -164.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 466 | S | 37.9 | Very low | 47.6 | Very low | 127 Ų | 127 | 134 Ų | 134 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | -122.9 | 75.4 | -177 | 51.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 467 | K | 39.4 | Very low | 46.6 | Very low | 193 Ų | 193 | 134.6 Ų | 134.6 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -148.5 | 133.1 | 163.2 | -150.3 | 163.4 | -173.8 | 177.1 | 0 | 111.8 | ||||
| 468 | P | 45.6 | Very low | 45.6 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -80.4 | 152.6 | -165 | 31 | -36.8 | 0 | 0 | 0 | 114.5 | ||||
| 469 | K | 38.4 | Very low | 44.3 | Very low | 203 Ų | 203 | 137 Ų | 137 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -107.6 | 161.8 | 166.8 | -97.7 | -178.9 | 176.9 | 174.6 | 0 | 111.2 | ||||
| 470 | P | 39.9 | Very low | 43.2 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -79.4 | 171.2 | -171.8 | 32.8 | -36.7 | 0 | 0 | 0 | 114.4 | ||||
| 471 | K | 38.3 | Very low | 42 | Very low | 208 Ų | 208 | 135.5 Ų | 135.5 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -64.5 | 144.3 | -173.7 | -58.8 | 177.6 | 178.9 | -179.4 | 0 | 114 | ||||
| 472 | Q | 41.1 | Very low | 41.1 | Very low | 186 Ų | 186 | 134.4 Ų | 134.4 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -114 | 161.3 | 153.2 | -102.1 | -174.5 | -101.2 | 0 | 0 | 110.4 | ||||
| 473 | P | 43.5 | Very low | 40.2 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 69% | 0.688 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 161.6 | -178.1 | 33.8 | -35.7 | 0 | 0 | 0 | 113.2 | ||
| 474 | P | 48.3 | Very low | 39.6 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 148.3 | -174.3 | 33.3 | -35.9 | 0 | 0 | 0 | 114.2 | ||
| 475 | P | 46.3 | Very low | 39 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 163.3 | 162.8 | 33.9 | -34.3 | 0 | 0 | 0 | 111.9 | ||
| 476 | P | 43.6 | Very low | 38.8 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 161.2 | -173.7 | 31.8 | -36.7 | 0 | 0 | 0 | 114.6 | ||
| 477 | S | 36.7 | Very low | 38.6 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 146.6 | -176.1 | -48.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 478 | I | 35.4 | Very low | 38.5 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -126.1 | 144.5 | 149.9 | 55 | 173.2 | 0 | 0 | 0 | 109.1 | ||||
| 479 | S | 32.7 | Very low | 38.1 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -109.2 | 117 | -165.2 | -59 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 480 | A | 29.8 | Very low | 37.9 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | trans | -173.5 | 150.8 | 160 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 481 | S | 29 | Very low | 37.6 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | cis | -176.7 | 168.1 | -26 | 48.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 482 | S | 34.5 | Very low | 37.3 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | 68.4 | 75.7 | 156.7 | -48.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 483 | S | 36.1 | Very low | 37 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -89 | 98.9 | 155.1 | 57.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 484 | N | 39.1 | Very low | 36.7 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -111.8 | 123.4 | 174.2 | -89.6 | -13.8 | 0 | 0 | 0 | 110.6 | ||||
| 485 | N | 41.2 | Very low | 36.8 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | -116.3 | 113.2 | 177 | -154.6 | 9.6 | 0 | 0 | 0 | 108.5 | F487 | N485-F487 PolarHBondContact O-N 3.02Š| ||
| 486 | P | 38 | Very low | 36.1 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | trans | -90.9 | 53.5 | -154.4 | 36.9 | -39.3 | 0 | 0 | 0 | 114.5 | ||||
| 487 | F | 34.3 | Very low | 36.6 | Very low | 199 Ų | 199 | 132 Ų | 132 | 87% | 0.873 | 82% | 0.819 | S | S | * | * | trans | -152.5 | 96.6 | 170.4 | -130.9 | -86.4 | 0 | 0 | 0 | 112.7 | N485 | N485-F487 PolarHBondContact O-N 3.02Š| ||
| 488 | L | 37 | Very low | 36.4 | Very low | 180 Ų | 180 | 129.6 Ų | 129.6 | 94% | 0.942 | 81% | 0.812 | S | S | * | * | trans | 161.4 | 120 | 152.3 | -91.7 | 163.9 | 0 | 0 | 0 | 108.5 | ||||
| 489 | Q | 36.5 | Very low | 36.3 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | -141.2 | 132.3 | -174.1 | -177.7 | 172.6 | -6.6 | 0 | 0 | 111 | ||||
| 490 | N | 33.7 | Very low | 36.1 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | 62.9 | 138.4 | -179.4 | -80.4 | 3.4 | 0 | 0 | 0 | 115.7 | ||||
| 491 | T | 35.1 | Very low | 36.4 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | cis | -141.1 | 165.3 | -2.2 | 46.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 492 | G | 31.7 | Very low | 36.6 | Very low | 65 Ų | 65 | 131.2 Ų | 131.2 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | cis | 148.2 | -176.9 | 1.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 493 | S | 33.9 | Very low | 37.1 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 92% | 0.923 | 81% | 0.81 | S | S | * | * | trans | 67 | 151.3 | 178.3 | -63.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 494 | S | 36.9 | Very low | 36.8 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -123.5 | -177.8 | -173.5 | -50.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 495 | P | 50.9 | Low | 36.5 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | cis | -138.1 | -166 | 11.3 | 42.4 | -21.1 | 0 | 0 | 0 | 116.6 | ||||
| 496 | A | 33 | Very low | 36 | Very low | 90 Ų | 90 | 125.3 Ų | 125.3 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | -83.9 | -162.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 497 | P | 52.6 | Low | 36.1 | Very low | 131 Ų | 131 | 127 Ų | 127 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | cis | -141.8 | -173.4 | 8.4 | 44.8 | -25.8 | 0 | 0 | 0 | 117.1 | ||||
| 498 | G | 32 | Very low | 36 | Very low | 63 Ų | 63 | 122.2 Ų | 122.2 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | 144 | 96.2 | 141.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 499 | M | 33.4 | Very low | 36.1 | Very low | 190 Ų | 190 | 117.9 Ų | 117.9 | 94% | 0.936 | 77% | 0.77 | S | S | * | * | trans | 54.9 | 172.1 | 134.8 | -64.6 | 171.2 | 69.7 | 0 | 0 | 121.2 | ||||
| 500 | A | 30.4 | Very low | 36 | Very low | 71 Ų | 71 | 121 Ų | 121 | 59% | 0.587 | 77% | 0.774 | S | S | * | * | cis | -168.5 | 170.8 | -48 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 501 | V | 34.9 | Very low | 35.9 | Very low | 139 Ų | 139 | 117 Ų | 117 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | trans | 68.6 | 148.6 | 160.8 | -129.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 502 | T | 33 | Very low | 35.9 | Very low | 125 Ų | 125 | 117.6 Ų | 117.6 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | -112.3 | -163.2 | 168.8 | 62.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 503 | P | 46 | Very low | 36.1 | Very low | 124 Ų | 124 | 119.8 Ų | 119.8 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | cis | -129 | -175.8 | -26 | 38.1 | -21.7 | 0 | 0 | 0 | 113.3 | ||||
| 504 | G | 29.6 | Very low | 36.9 | Very low | 64 Ų | 64 | 119.5 Ų | 119.5 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | 130.1 | 116.4 | 137.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 505 | S | 31.6 | Very low | 36.9 | Very low | 117 Ų | 117 | 120.1 Ų | 120.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 62.9 | 158 | 148.7 | -56.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 506 | T | 32.6 | Very low | 37.2 | Very low | 115 Ų | 115 | 119.4 Ų | 119.4 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | cis | -159 | 150 | 22.1 | -28.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 507 | I | 38.2 | Very low | 37.1 | Very low | 154 Ų | 154 | 121.7 Ų | 121.7 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 61.4 | 137.6 | 150 | -84.7 | 164.7 | 0 | 0 | 0 | 117.7 | ||||
| 508 | S | 33.6 | Very low | 36.2 | Very low | 98 Ų | 98 | 120 Ų | 120 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | cis | -172.7 | 172.6 | -2.8 | -100 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 509 | S | 37.6 | Very low | 36.5 | Very low | 89 Ų | 89 | 122 Ų | 122 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | cis | -176.8 | 163 | -25.1 | 62.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 510 | R | 34.6 | Very low | 37 | Very low | 242 Ų | 242 | 120.3 Ų | 120.3 | 91% | 0.913 | 76% | 0.761 | S | S | * | * | trans | 71 | 131 | 174.6 | -57.7 | 174.6 | 168.6 | 165.2 | -4 | 114.6 | ||||
| 511 | G | 32 | Very low | 38 | Very low | 68 Ų | 68 | 121.9 Ų | 121.9 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | cis | 94.1 | 137.6 | 9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 512 | V | 35 | Very low | 37.8 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | cis | -153.6 | 170.6 | 23.1 | -68.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 513 | S | 37.2 | Very low | 37.7 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -102.6 | 176 | 163.4 | -37.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 514 | P | 50.4 | Low | 37.2 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | -152.5 | -151.7 | 57.7 | 43.1 | -19 | 0 | 0 | 0 | 116.2 | |||||
| 515 | T | 35.4 | Very low | 37.5 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -102.2 | -170.5 | -172.9 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 516 | P | 58.3 | Low | 38.8 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | cis | -133.9 | -166.3 | -41.8 | 32.4 | -11 | 0 | 0 | 0 | 114.5 | ||||
| 517 | V | 30.3 | Very low | 38.8 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | 111.7 | 132.9 | 138 | 105.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 518 | S | 34.3 | Very low | 38.6 | Very low | 97 Ų | 97 | 125.6 Ų | 125.6 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | 79.4 | 137.9 | 144.5 | -155.8 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 519 | S | 37.3 | Very low | 38.6 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | 80.9 | 111.9 | 141.2 | 32.5 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 520 | N | 45.6 | Very low | 38.4 | Very low | 156 Ų | 156 | 128.2 Ų | 128.2 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -12.4 | 160.4 | 137.5 | -70.1 | 38.8 | 0 | 0 | 0 | 119.1 | ||||
| 521 | P | 50 | Low | 38.2 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | cis | -156.7 | -176.9 | 46.1 | 45.8 | -24.4 | 0 | 0 | 0 | 120.6 | ||||
| 522 | F | 32.3 | Very low | 38.2 | Very low | 207 Ų | 207 | 126.1 Ų | 126.1 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | trans | 57 | 147.6 | 167.5 | -76.3 | -85.9 | 0 | 0 | 0 | 119.5 | ||||
| 523 | G | 30.7 | Very low | 39.5 | Very low | 62 Ų | 62 | 123.9 Ų | 123.9 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | cis | 137.1 | 89.5 | -16.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 524 | V | 34.9 | Very low | 39.4 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 93% | 0.933 | 78% | 0.775 | S | S | * | * | trans | -151 | 155.3 | 159.5 | -146.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 525 | A | 36 | Very low | 39.9 | Very low | 88 Ų | 88 | 125.7 Ų | 125.7 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -154.8 | -173 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 526 | P | 58.5 | Low | 39.7 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | cis | -126.5 | -176.1 | -19.7 | 41.4 | -27.3 | 0 | 0 | 0 | 112.3 | ||||
| 527 | S | 32.9 | Very low | 38.6 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -153.9 | 147.5 | 148.1 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 528 | M | 33.6 | Very low | 38.7 | Very low | 169 Ų | 169 | 127 Ų | 127 | 83% | 0.833 | 78% | 0.778 | S | S | * | * | trans | -104.8 | 159 | 179.6 | -50.8 | -73.1 | -177.8 | 0 | 0 | 109.8 | ||||
| 529 | T | 33.5 | Very low | 38.5 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -172.1 | 151.9 | 133.1 | -76.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 530 | S | 33 | Very low | 38.4 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -90.6 | 162.1 | -177.5 | -177 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 531 | I | 31.6 | Very low | 37.8 | Very low | 163 Ų | 163 | 127 Ų | 127 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | 163.9 | 156.6 | 131 | -84.8 | 159.7 | 0 | 0 | 0 | 112.1 | ||||
| 532 | S | 31.1 | Very low | 37 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -159.4 | 163.7 | -176.3 | -176.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 533 | P | 62.4 | Low | 37 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | cis | -128.8 | -157.6 | -14.2 | 22 | 3.9 | 0 | 0 | 0 | 112.5 | ||||
| 534 | Q | 35.2 | Very low | 37.1 | Very low | 169 Ų | 169 | 131 Ų | 131 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | 107.9 | 148.4 | 151.9 | -60.7 | -60.4 | -39 | 0 | 0 | 118.6 | ||||
| 535 | P | 61.9 | Low | 37 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | trans | -109.4 | -174.3 | -160.9 | 43.7 | -38.3 | 0 | 0 | 0 | 114.7 | ||||
| 536 | S | 31 | Very low | 36.9 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | -148.7 | 165.6 | 162.6 | -80.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 537 | S | 33.7 | Very low | 36.5 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -116 | -169.5 | -162.3 | -169.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 538 | L | 33.2 | Very low | 36.9 | Very low | 171 Ų | 171 | 130.2 Ų | 130.2 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | 78.6 | 147.6 | 173.5 | -43.6 | 177.5 | 0 | 0 | 0 | 114.8 | ||||
| 539 | G | 30.9 | Very low | 37.6 | Very low | 69 Ų | 69 | 127.8 Ų | 127.8 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | cis | -164.8 | -172 | 2.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 540 | L | 34.9 | Very low | 38.6 | Very low | 165 Ų | 165 | 126.5 Ų | 126.5 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -73.2 | 153.1 | -171.5 | -72.2 | 65.9 | 0 | 0 | 0 | 114.3 | ||||
| 541 | S | 31.9 | Very low | 38.6 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | 135.1 | 144.5 | 128.2 | -60.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 542 | G | 33 | Very low | 39.7 | Very low | 79 Ų | 79 | 126.8 Ų | 126.8 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | 153.4 | 62.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 543 | L | 32.7 | Very low | 39.8 | Very low | 162 Ų | 162 | 130.1 Ų | 130.1 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -29.2 | 138.3 | 164.2 | -54.1 | 156.3 | 0 | 0 | 0 | 116.5 | ||||
| 544 | R | 32.3 | Very low | 38.5 | Very low | 215 Ų | 215 | 133.1 Ų | 133.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | 169.5 | 139.3 | 101.8 | -92 | -166.8 | 173.8 | -106 | -7.5 | 117.4 | |||||
| 545 | T | 33.3 | Very low | 38.4 | Very low | 120 Ų | 120 | 129 Ų | 129 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | 57.6 | 125.8 | 145.3 | 55.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 546 | S | 34.6 | Very low | 37.2 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | trans | -83.9 | 174 | 163.3 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 547 | P | 48.8 | Very low | 37.4 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | -139.9 | 170.3 | 100.7 | 39.4 | -27.4 | 0 | 0 | 0 | 115.7 | |||||
| 548 | V | 42 | Very low | 37.8 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | trans | -133.4 | 143.6 | -177.4 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 549 | P | 47.5 | Very low | 38.6 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -102.1 | 157.6 | 160.1 | 35.6 | -27.9 | 0 | 0 | 0 | 112.9 | ||||
| 550 | P | 56.2 | Low | 38.6 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -119.3 | 178.8 | -148.3 | 42.8 | -33.6 | 0 | 0 | 0 | 116 | ||||
| 551 | N | 32.4 | Very low | 38.8 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -157.2 | 162.1 | 136.7 | -111.2 | -2.1 | 0 | 0 | 0 | 112.2 | ||||
| 552 | P | 53.8 | Low | 38.9 | Very low | 110 Ų | 110 | 131 Ų | 131 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | trans | -117.1 | 164.5 | -162.3 | 41.3 | -32.8 | 0 | 0 | 0 | 115.8 | ||||
| 553 | M | 33 | Very low | 39.1 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | -167.4 | 162.3 | 129.7 | -107.9 | -172.6 | 83.4 | 0 | 0 | 114.8 | |||||
| 554 | L | 35.4 | Very low | 39.2 | Very low | 164 Ų | 164 | 130.9 Ų | 130.9 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -30.1 | 144.5 | -174 | -58.6 | 171.4 | 0 | 0 | 0 | 121.4 | ||||
| 555 | G | 33.2 | Very low | 40.3 | Very low | 81 Ų | 81 | 126.3 Ų | 126.3 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -169.9 | 134.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 556 | M | 36.7 | Very low | 40.6 | Very low | 186 Ų | 186 | 130 Ų | 130 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -136 | 141.5 | -160.7 | -170.4 | 171.8 | 176.7 | 0 | 0 | 113.5 | ||||
| 557 | V | 34.9 | Very low | 40.7 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | trans | 57.1 | 115.4 | 167 | 85.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 558 | Q | 42.5 | Very low | 40.2 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | cis | 76 | 156.8 | 48.4 | -150.2 | -118 | 13.7 | 0 | 0 | 113.8 | ||||
| 559 | P | 50.4 | Low | 40 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | -100.2 | -170.7 | -54.8 | 37.3 | -22.7 | 0 | 0 | 0 | 111.2 | |||||
| 560 | G | 30.1 | Very low | 39.5 | Very low | 70 Ų | 70 | 133.3 Ų | 133.3 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | cis | 124.5 | 96.5 | -0.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 561 | M | 40.8 | Very low | 38.7 | Very low | 198 Ų | 198 | 130.7 Ų | 130.7 | 98% | 0.975 | 81% | 0.806 | S | S | * | * | trans | -153.7 | 139.1 | 165.5 | -81.3 | 179.6 | 170 | 0 | 0 | 107.5 | ||||
| 562 | G | 33.1 | Very low | 39.7 | Very low | 70 Ų | 70 | 129 Ų | 129 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | cis | 119.8 | 80.9 | -6.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 563 | L | 37.7 | Very low | 39.6 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 94% | 0.937 | 81% | 0.811 | S | S | * | * | trans | -178.5 | 151.1 | 154 | -103.6 | 165.5 | 0 | 0 | 0 | 112 | ||||
| 564 | G | 35.3 | Very low | 39.8 | Very low | 58 Ų | 58 | 125.4 Ų | 125.4 | 60% | 0.598 | 81% | 0.807 | S | S | * | * | trans | -166.4 | -161.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 565 | P | 54.4 | Low | 40.3 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | cis | -122.4 | 171.8 | -22.5 | 40.4 | -28.3 | 0 | 0 | 0 | 111.4 | ||||
| 566 | M | 39.3 | Very low | 40.3 | Very low | 197 Ų | 197 | 126.4 Ų | 126.4 | 97% | 0.97 | 80% | 0.804 | S | S | * | * | trans | -146 | 144 | 154.7 | -78.1 | -156.8 | 175.4 | 0 | 0 | 111.6 | ||||
| 567 | S | 36.7 | Very low | 40.4 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -125.3 | 126.3 | -176.2 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 568 | V | 39.6 | Very low | 40.3 | Very low | 152 Ų | 152 | 123.9 Ų | 123.9 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -141.9 | 135.4 | 155.9 | -173.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 569 | G | 36 | Very low | 40.1 | Very low | 69 Ų | 69 | 124.4 Ų | 124.4 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -124.2 | 153.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 570 | M | 38.8 | Very low | 39.7 | Very low | 191 Ų | 191 | 128.9 Ų | 128.9 | 94% | 0.941 | 82% | 0.824 | S | S | * | * | trans | -148.3 | 139.9 | 170.9 | -159.3 | 58.9 | 147.2 | 0 | 0 | 110.8 | ||||
| 571 | G | 37.5 | Very low | 40 | Very low | 60 Ų | 60 | 134.3 Ų | 134.3 | 62% | 0.619 | 83% | 0.83 | S | S | * | * | trans | -86.3 | 179.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 572 | P | 54.4 | Low | 39.6 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -92.8 | 171 | -169.7 | 38.1 | -37.5 | 0 | 0 | 0 | 113.7 | ||||
| 573 | P | 52.3 | Low | 39.7 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | trans | -113.5 | 156 | 145.7 | 36.8 | -28.3 | 0 | 0 | 0 | 111.8 | ||||
| 574 | G | 36.4 | Very low | 41 | Very low | 74 Ų | 74 | 128.5 Ų | 128.5 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | -134.2 | 158.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 575 | M | 45.3 | Very low | 41 | Very low | 204 Ų | 204 | 135.4 Ų | 135.4 | 100% | 1.005 | 84% | 0.835 | S | S | * | * | trans | -151.4 | 161.7 | 175.6 | -102.6 | -179.6 | 169.2 | 0 | 0 | 110.6 | ||||
| 576 | G | 34.1 | Very low | 39.9 | Very low | 61 Ų | 61 | 132.7 Ų | 132.7 | 63% | 0.629 | 83% | 0.83 | S | S | * | * | trans | -155.1 | -150.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 577 | L | 38.4 | Very low | 39.9 | Very low | 188 Ų | 188 | 132.2 Ų | 132.2 | 98% | 0.984 | 83% | 0.827 | S | S | * | * | trans | 74.3 | 148.6 | -162.4 | -66.3 | 71.7 | 0 | 0 | 0 | 112.8 | ||||
| 578 | G | 33.1 | Very low | 40.9 | Very low | 67 Ų | 67 | 131.9 Ų | 131.9 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | cis | -159.6 | 146 | -4.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 579 | M | 39.3 | Very low | 40.6 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | 71.1 | 100.5 | 79.7 | -175.2 | -176.2 | 175.2 | 0 | 0 | 114.6 | |||||
| 580 | M | 42.2 | Very low | 40.5 | Very low | 198 Ų | 198 | 135 Ų | 135 | 98% | 0.975 | 82% | 0.817 | S | S | * | * | trans | -150 | 158.9 | 150.7 | -73.3 | -155.5 | 177.5 | 0 | 0 | 110.6 | ||||
| 581 | Q | 35.1 | Very low | 40.2 | Very low | 183 Ų | 183 | 129.4 Ų | 129.4 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -156.5 | 136.8 | -163.7 | 171.8 | -168.1 | 8.9 | 0 | 0 | 110.7 | ||||
| 582 | A | 32.4 | Very low | 40.1 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | trans | 168.8 | 157.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 583 | S | 35.4 | Very low | 39.3 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -128.8 | -155.1 | 166 | -31.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 584 | P | 65.2 | Low | 39.7 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | cis | -129 | 161 | -48.6 | 36.4 | -22.5 | 0 | 0 | 0 | 113.4 | ||||
| 585 | M | 35.5 | Very low | 39.6 | Very low | 202 Ų | 202 | 138.7 Ų | 138.7 | 100% | 0.995 | 82% | 0.822 | S | S | * | * | trans | -179.8 | 162.3 | 159.1 | -103.8 | 158.8 | -167.9 | 0 | 0 | 111.1 | ||||
| 586 | G | 31.8 | Very low | 39 | Very low | 64 Ų | 64 | 131.4 Ų | 131.4 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | cis | 157.5 | 60.5 | -9.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 587 | M | 38.2 | Very low | 40.1 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | 64.7 | 178.3 | 165.6 | -61.3 | -69.7 | -171.2 | 0 | 0 | 116.9 | ||||
| 588 | P | 58.1 | Low | 41 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | -131.8 | -162.5 | -29.3 | 22.6 | 3.2 | 0 | 0 | 0 | 114.2 | ||||
| 589 | F | 32.3 | Very low | 40.9 | Very low | 188 Ų | 188 | 131.5 Ų | 131.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 100.3 | 95.8 | 153.5 | -98.4 | -100.9 | 0 | 0 | 0 | 123.3 | ||||
| 590 | S | 35.3 | Very low | 40.6 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | 54.6 | 110 | 119 | -48.7 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 591 | G | 32.2 | Very low | 40.2 | Very low | 72 Ų | 72 | 124.2 Ų | 124.2 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | 94.7 | 142 | 102.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 592 | L | 35.4 | Very low | 40 | Very low | 176 Ų | 176 | 123 Ų | 123 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | 178.8 | 157.9 | 136.4 | -98.9 | 166.4 | 0 | 0 | 0 | 112.6 | ||||
| 593 | S | 38.1 | Very low | 40.2 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -152.7 | 157.1 | 177.3 | -50.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 594 | P | 60 | Low | 39.9 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -133.9 | 171.3 | 142.4 | 41.2 | -28.8 | 0 | 0 | 0 | 110.5 | ||||
| 595 | M | 34.4 | Very low | 39.2 | Very low | 181 Ų | 181 | 124.8 Ų | 124.8 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | cis | -157.2 | -178.5 | -2.5 | -134.9 | 169.5 | 64.1 | 0 | 0 | 110.6 | ||||
| 596 | G | 31.8 | Very low | 39.1 | Very low | 51 Ų | 51 | 118.7 Ų | 118.7 | 53% | 0.526 | 78% | 0.782 | S | S | . | * | trans | -133.4 | -154.3 | 159 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 597 | P | 58.9 | Low | 39.1 | Very low | 124 Ų | 124 | 121 Ų | 121 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | cis | -133.5 | -143.6 | 0.3 | 44.8 | -25 | 0 | 0 | 0 | 110.3 | ||||
| 598 | P | 55.5 | Low | 38.9 | Very low | 124 Ų | 124 | 120.5 Ų | 120.5 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | cis | -136.1 | 169 | -17.3 | 38.9 | -20.9 | 0 | 0 | 0 | 117.8 | ||||
| 599 | G | 31.9 | Very low | 38.5 | Very low | 71 Ų | 71 | 120.7 Ų | 120.7 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | 97 | 143.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 600 | S | 33 | Very low | 39.9 | Very low | 130 Ų | 130 | 117.4 Ų | 117.4 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | cis | -152.9 | 162.8 | -6.2 | -75.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 601 | A | 32.7 | Very low | 40.6 | Very low | 92 Ų | 92 | 118.4 Ų | 118.4 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -109.7 | 163.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 602 | L | 31.6 | Very low | 40.7 | Very low | 158 Ų | 158 | 122.5 Ų | 122.5 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -168.8 | 145.5 | 139.5 | -126.6 | 72.6 | 0 | 0 | 0 | 114.5 | ||||
| 603 | L | 37 | Very low | 40.7 | Very low | 161 Ų | 161 | 121.4 Ų | 121.4 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | 62 | 129.5 | 156.2 | -62.5 | 173.1 | 0 | 0 | 0 | 123.4 | ||||
| 604 | G | 28.9 | Very low | 40.4 | Very low | 64 Ų | 64 | 122.6 Ų | 122.6 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | trans | -120.3 | -147.8 | 145.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 605 | P | 51.3 | Low | 39.1 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | cis | -136.5 | -174.7 | -3.4 | 43.4 | -26.9 | 0 | 0 | 0 | 114.9 | ||||
| 606 | G | 33.4 | Very low | 39 | Very low | 74 Ų | 74 | 120.1 Ų | 120.1 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | 136 | 112.3 | 139.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 607 | A | 32.1 | Very low | 39 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 94% | 0.942 | 80% | 0.795 | S | S | * | * | trans | 79.4 | 165.9 | 138.3 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 608 | M | 33 | Very low | 38.8 | Very low | 176 Ų | 176 | 121.4 Ų | 121.4 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -143.9 | -176.6 | -163.3 | -115.1 | -163.8 | -64.4 | 0 | 0 | 109.1 | ||||
| 609 | P | 50.7 | Low | 38 | Very low | 112 Ų | 112 | 120.4 Ų | 120.4 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | cis | -130.9 | -176 | -6 | 41.4 | -23.4 | 0 | 0 | 0 | 115.6 | ||||
| 610 | P | 61.2 | Low | 38.1 | Very low | 118 Ų | 118 | 120.6 Ų | 120.6 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | -116.2 | 145.1 | -173.2 | 39.5 | -32.9 | 0 | 0 | 0 | 119.5 | ||||
| 611 | P | 49.4 | Very low | 38.3 | Very low | 122 Ų | 122 | 120 Ų | 120 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | trans | -119.4 | -163.7 | 166.7 | 41.4 | -30.8 | 0 | 0 | 0 | 114.2 | ||||
| 612 | Q | 34.3 | Very low | 38.3 | Very low | 158 Ų | 158 | 119.4 Ų | 119.4 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | -167.3 | 152.5 | -85 | -106.7 | -77 | -76.3 | 0 | 0 | 113.8 | |||||
| 613 | Q | 35 | Very low | 38.5 | Very low | 152 Ų | 152 | 115.8 Ų | 115.8 | 71% | 0.71 | 81% | 0.807 | S | S | * | * | trans | 67.3 | 166.7 | 157.9 | -63.4 | -159.3 | 14.7 | 0 | 0 | 121.9 | ||||
| 614 | I | 32 | Very low | 38.6 | Very low | 136 Ų | 136 | 115.9 Ų | 115.9 | 70% | 0.697 | 81% | 0.805 | S | S | * | * | cis | -171.4 | 158.2 | -42.8 | -156.2 | 161 | 0 | 0 | 0 | 111.4 | ||||
| 615 | L | 33.1 | Very low | 39 | Very low | 173 Ų | 173 | 121.2 Ų | 121.2 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | 71.4 | 146.8 | 155.1 | -151.7 | 73.6 | 0 | 0 | 0 | 121.5 | ||||
| 616 | G | 31.3 | Very low | 38.2 | Very low | 76 Ų | 76 | 118.5 Ų | 118.5 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | 146.9 | 115.7 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 617 | G | 33.8 | Very low | 38.6 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -125 | -162.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 618 | P | 53.1 | Low | 38.8 | Very low | 126 Ų | 126 | 118.6 Ų | 118.6 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | cis | -140.5 | -174.5 | 4.3 | 44 | -25.3 | 0 | 0 | 0 | 116.1 | ||||
| 619 | A | 38.3 | Very low | 38.9 | Very low | 104 Ų | 104 | 114.1 Ų | 114.1 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | 38.8 | 141.4 | 145.2 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 620 | G | 35.6 | Very low | 38.3 | Very low | 75 Ų | 75 | 114.9 Ų | 114.9 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 147.8 | 95 | 139.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 621 | A | 36.8 | Very low | 37.3 | Very low | 116 Ų | 116 | 118 Ų | 118 | 96% | 0.959 | 83% | 0.827 | S | S | * | * | trans | 40.6 | 143.1 | 141.6 | 0 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 622 | G | 33.3 | Very low | 36.6 | Very low | 80 Ų | 80 | 116.3 Ų | 116.3 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | 134.9 | 80.7 | 123.4 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 623 | G | 35.4 | Very low | 36.6 | Very low | 83 Ų | 83 | 112.9 Ų | 112.9 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | trans | 70.6 | 178.2 | 148.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 624 | M | 37.9 | Very low | 36.7 | Very low | 163 Ų | 163 | 109.8 Ų | 109.8 | 80% | 0.803 | 85% | 0.848 | S | S | * | * | cis | -170.8 | 155.6 | -21.9 | 174.6 | 157.5 | 163.4 | 0 | 0 | 111.8 | ||||
| 625 | M | 38.1 | Very low | 36.8 | Very low | 175 Ų | 175 | 107.2 Ų | 107.2 | 86% | 0.862 | 86% | 0.855 | S | S | * | * | trans | 75.2 | 145.4 | 161.9 | -92.9 | 172.9 | 170.8 | 0 | 0 | 121 | ||||
| 626 | G | 34.9 | Very low | 37.1 | Very low | 81 Ų | 81 | 105.5 Ų | 105.5 | 84% | 0.835 | 85% | 0.852 | S | S | * | * | trans | 146.5 | 118 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 627 | A | 40.6 | Very low | 37.5 | Very low | 109 Ų | 109 | 107 Ų | 107 | 90% | 0.901 | 86% | 0.857 | S | S | * | * | trans | -145.1 | 159.9 | -144 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 628 | G | 36.2 | Very low | 37.6 | Very low | 81 Ų | 81 | 107.4 Ų | 107.4 | 84% | 0.835 | 86% | 0.86 | S | S | * | * | trans | 107.3 | 141.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 629 | G | 36.9 | Very low | 37.1 | Very low | 82 Ų | 82 | 106.3 Ų | 106.3 | 85% | 0.845 | 86% | 0.862 | S | S | * | * | cis | 136.2 | 111 | -12.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 630 | S | 37.4 | Very low | 37.1 | Very low | 127 Ų | 127 | 107 Ų | 107 | 89% | 0.888 | 86% | 0.86 | S | S | * | * | trans | -161.4 | 168.2 | 155 | -162.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 631 | M | 40.3 | Very low | 37.7 | Very low | 185 Ų | 185 | 109.3 Ų | 109.3 | 91% | 0.911 | 86% | 0.86 | S | S | * | * | trans | -135.4 | 155.6 | -164.5 | -67.2 | 159.7 | 55.7 | 0 | 0 | 113.5 | ||||
| 632 | G | 34.4 | Very low | 37.9 | Very low | 86 Ų | 86 | 111.1 Ų | 111.1 | 89% | 0.887 | 85% | 0.853 | S | S | * | * | trans | 110 | 155.5 | 138.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 633 | G | 33.8 | Very low | 39.2 | Very low | 86 Ų | 86 | 111.4 Ų | 111.4 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | trans | 119.8 | 94.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 634 | G | 38.3 | Very low | 39.6 | Very low | 87 Ų | 87 | 116.8 Ų | 116.8 | 90% | 0.897 | 84% | 0.841 | S | S | * | * | trans | -108.3 | 146.3 | 160 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 635 | G | 34.4 | Very low | 40.1 | Very low | 82 Ų | 82 | 115.5 Ų | 115.5 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | trans | -162 | 118.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 636 | T | 38.7 | Very low | 40.5 | Very low | 137 Ų | 137 | 118.8 Ų | 118.8 | 84% | 0.84 | 86% | 0.856 | S | S | * | * | trans | -63.9 | 148.9 | -179 | 48.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 637 | A | 40 | Very low | 40.8 | Very low | 108 Ų | 108 | 120.7 Ų | 120.7 | 89% | 0.893 | 86% | 0.858 | S | S | * | * | trans | 60 | 127.1 | 141.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 638 | G | 36.1 | Very low | 40.8 | Very low | 82 Ų | 82 | 121.3 Ų | 121.3 | 85% | 0.845 | 86% | 0.855 | S | S | * | * | trans | -162.9 | 111.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 639 | A | 40.9 | Very low | 41.1 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 86% | 0.86 | 86% | 0.856 | S | S | * | * | trans | -92 | 144.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 640 | S | 39.2 | Very low | 41.3 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 86% | 0.857 | S | S | * | * | trans | -148.3 | 96.3 | 165.3 | -167.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 641 | T | 48.8 | Very low | 41.6 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 77% | 0.767 | 86% | 0.855 | S | S | * | * | trans | -81.1 | 139.4 | 161.6 | -57.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 642 | N | 40.7 | Very low | 41.7 | Very low | 153 Ų | 153 | 122 Ų | 122 | 82% | 0.818 | 85% | 0.851 | S | S | * | * | trans | -152.1 | 140 | 145.5 | -104.5 | -37.7 | 0 | 0 | 0 | 112.2 | ||||
| 643 | P | 59.6 | Low | 42.2 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 56% | 0.558 | 85% | 0.849 | S | S | * | * | trans | -101.6 | 167.5 | 178.7 | 40.3 | -34.8 | 0 | 0 | 0 | 112.4 | ||||
| 644 | F | 44.3 | Very low | 42.8 | Very low | 196 Ų | 196 | 127.5 Ų | 127.5 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | trans | -164.8 | 115.7 | 134.4 | -107.3 | -80.8 | 0 | 0 | 0 | 105.7 | ||||
| 645 | L | 48.7 | Very low | 43.2 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 72% | 0.717 | 84% | 0.842 | S | S | * | * | 60.7 | 95.3 | 66.4 | -79.6 | 168.1 | 0 | 0 | 0 | 114 | |||||
| 646 | L | 47.3 | Very low | 44 | Very low | 244 Ų | 244 | 135.4 Ų | 135.4 | 100% | 1.277 | 84% | 0.841 | S | S | * | * | -150 | 0 | 107 | -109.3 | 162.9 | 0 | 0 | 0 | 110.4 |
Retrieved 646 of 646 residues in 366.6 ms
(Link to these results)