| 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 | 63.3 | Low | 79.9 | Confident | 127 Ų | 127 | 105.8 Ų | 105.8 | 63% | 0.626 | 48% | 0.479 | S | S | * | . | 0 | 141.4 | 0 | 174.8 | 168.3 | 47.4 | 0 | 0 | 110.3 | K5 L6 I29 Y33 | M1-K5 HydrophobicContact CG-CB 4.17Å; M1-K5 HydrophobicContact SD-CB 4.47Å; M1-L6 HydrophobicContact CE-CB 3.65Å; M1-L6 HydrophobicContact CE-CD1 3.32Å; M1-L6 HydrophobicContact CE-CD2 4.37Å; M1-L6 HydrophobicContact CE-CG 3.92Å; M1-L6 HydrophobicContact CG-CB 4.29Å; M1-L6 HydrophobicContact SD-CB 4.02Å; M1-I29 HydrophobicContact CE-CG2 4.3Å; M1-Y33 HydrophobicContact CE-CD2 3.72Å; M1-Y33 HydrophobicContact CE-CE2 3.34Å; M1-Y33 HydrophobicContact SD-CE2 4.14Å | |||
| 2 | N | 72.3 | Confident | 80.9 | Confident | 106 Ų | 106 | 103.8 Ų | 103.8 | 57% | 0.567 | 48% | 0.481 | S | S | * | . | trans | -75.7 | 138 | 176.7 | -176.6 | -37.6 | 0 | 0 | 0 | 111 | K4 K5 L6 | N2-K4 VanDerWaalsContact C-N 3.25Å; N2-K4 PolarHBondContact O-N 3.08Å; N2-K4 VanDerWaalsContact O-N 3.1Å; N2-K4 PolarHBondContact OD1-N 3.22Å; N2-K5 WeakPolarHBondContact O-CB 3.16Å; N2-K5 PolarHBondContact O-N 3.19Å; N2-L6 PolarHBondContact O-N 2.69Å; N2-L6 VanDerWaalsContact O-N 3.15Å | ||
| 3 | R | 77.1 | Confident | 81.6 | Confident | 221 Ų | 221 | 96.2 Ų | 96.2 | 83% | 0.834 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -45.9 | -39.4 | -178.5 | -168.1 | 174.9 | -178.3 | 172.5 | 1.5 | 114.6 | Q7 | R3-Q7 WeakPolarHBondContact O-CB 3.33Å; R3-Q7 PolarHBondContact O-N 3.14Å |
| 4 | K | 77.1 | Confident | 82.4 | Confident | 179 Ų | 179 | 91.8 Ų | 91.8 | 78% | 0.778 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -67.6 | -36.2 | 177.9 | -70.1 | -173.5 | 179.8 | -179 | 0 | 113.3 | N2 K8 | N2-K4 VanDerWaalsContact C-N 3.25Å; N2-K4 PolarHBondContact O-N 3.08Å; N2-K4 VanDerWaalsContact O-N 3.1Å; N2-K4 PolarHBondContact OD1-N 3.22Å; K4-K8 PolarHBondContact O-N 3.45Å |
| 5 | K | 78.1 | Confident | 82.9 | Confident | 156 Ų | 156 | 98.1 Ų | 98.1 | 68% | 0.678 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -71.7 | -42.5 | 177.1 | -71.8 | -173.7 | 175.5 | -175.2 | 0 | 110.9 | M1 N2 K8 L9 | M1-K5 HydrophobicContact CG-CB 4.17Å; M1-K5 HydrophobicContact SD-CB 4.47Å; N2-K5 WeakPolarHBondContact O-CB 3.16Å; N2-K5 PolarHBondContact O-N 3.19Å; K5-K8 PolarHBondContact O-N 2.9Å; K5-L9 WeakPolarHBondContact O-CB 3.32Å; K5-L9 PolarHBondContact O-N 2.74Å |
| 6 | L | 79.6 | Confident | 83.2 | Confident | 39 Ų | 39 | 95.6 Ų | 95.6 | 20% | 0.204 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -57.7 | -50.3 | 174.5 | 176.6 | 57.2 | 0 | 0 | 0 | 110.8 | M1 N2 K8 L9 T10 I29 | M1-L6 HydrophobicContact CE-CB 3.65Å; M1-L6 HydrophobicContact CE-CD1 3.32Å; M1-L6 HydrophobicContact CE-CD2 4.37Å; M1-L6 HydrophobicContact CE-CG 3.92Å; M1-L6 HydrophobicContact CG-CB 4.29Å; M1-L6 HydrophobicContact SD-CB 4.02Å; N2-L6 PolarHBondContact O-N 2.69Å; N2-L6 VanDerWaalsContact O-N 3.15Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 3.05Å; L6-L9 WeakPolarHBondContact O-CB 3.08Å; L6-L9 PolarHBondContact O-N 3.21Å; L6-L9 VanDerWaalsContact O-N 3.13Å; L6-T10 PolarHBondContact O-N 3.11Å; L6-T10 PolarHBondContact O-OG1 3.01Å; L6-I29 HydrophobicContact CD1-CB 4.4Å; L6-I29 HydrophobicContact CD1-CG2 3.53Å |
| 7 | Q | 82.2 | Confident | 83.5 | Confident | 82 Ų | 82 | 90.8 Ų | 90.8 | 38% | 0.383 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56.8 | -46.4 | -179.8 | -174.1 | 56.4 | 58.1 | 0 | 0 | 112.4 | R3 L9 T10 D11 | R3-Q7 WeakPolarHBondContact O-CB 3.33Å; R3-Q7 PolarHBondContact O-N 3.14Å; Q7-L9 PolarHBondContact O-N 3.44Å; Q7-T10 PolarHBondContact O-N 3Å; Q7-D11 PolarHBondContact NE2-OD1 3.25Å; Q7-D11 VanDerWaalsContact NE2-OD1 3.15Å; Q7-D11 PolarHBondContact NE2-OD2 3.41Å; Q7-D11 WeakPolarHBondContact O-CB 3.41Å; Q7-D11 VanDerWaalsContact O-CG 3.23Å; Q7-D11 PolarHBondContact O-N 3.48Å; Q7-D11 VanDerWaalsContact O-OD2 3.06Å |
| 8 | K | 86.2 | Confident | 83.8 | Confident | 154 Ų | 154 | 94.2 Ų | 94.2 | 67% | 0.67 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | 177.7 | -173.1 | 179.2 | 178.8 | -176.7 | 0 | 111.8 | K4 K5 L6 D11 T12 | K4-K8 PolarHBondContact O-N 3.45Å; K5-K8 PolarHBondContact O-N 2.9Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 3.05Å; K8-D11 PolarHBondContact O-N 2.69Å; K8-T12 PolarHBondContact O-N 3.33Å; K8-T12 PolarHBondContact O-OG1 3.14Å |
| 9 | L | 85.9 | Confident | 84.4 | Confident | 43 Ų | 43 | 91.8 Ų | 91.8 | 23% | 0.225 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 177.3 | 179.6 | 63.2 | 0 | 0 | 0 | 111.4 | K5 L6 Q7 D11 T12 L13 I29 Y33 V87 | K5-L9 WeakPolarHBondContact O-CB 3.32Å; K5-L9 PolarHBondContact O-N 2.74Å; L6-L9 WeakPolarHBondContact O-CB 3.08Å; L6-L9 PolarHBondContact O-N 3.21Å; L6-L9 VanDerWaalsContact O-N 3.13Å; Q7-L9 PolarHBondContact O-N 3.44Å; L9-D11 VanDerWaalsContact C-N 3.32Å; L9-D11 PolarHBondContact O-N 3.47Å; L9-T12 PolarHBondContact O-N 3.34Å; L9-L13 HydrophobicContact CD1-CD1 3.88Å; L9-L13 HydrophobicContact CD1-CG 4.07Å; L9-L13 HydrophobicContact CG-CD1 4.01Å; L9-L13 HydrophobicContact CG-CG 4.48Å; L9-L13 PolarHBondContact O-N 3.14Å; L9-I29 HydrophobicContact CD2-CG2 4.19Å; L9-I29 HydrophobicContact CG-CD1 4.27Å; L9-Y33 HydrophobicContact CD2-CE2 4.33Å; L9-V87 HydrophobicContact CD1-CG1 4.39Å; L9-V87 HydrophobicContact CD2-CG1 4.09Å; L9-V87 HydrophobicContact CD2-CG2 4.4Å |
| 10 | T | 88.5 | Confident | 85 | Confident | 2 Ų | 2 | 87.8 Ų | 87.8 | 1% | 0.012 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -57.1 | -45.8 | 175.9 | -55.2 | 0 | 0 | 0 | 0 | 111 | L6 Q7 T12 L13 T14 K22 V25 N26 I29 | L6-T10 PolarHBondContact O-N 3.11Å; L6-T10 PolarHBondContact O-OG1 3.01Å; Q7-T10 PolarHBondContact O-N 3Å; T10-T12 VanDerWaalsContact C-N 3.33Å; T10-T12 PolarHBondContact O-N 2.73Å; T10-L13 PolarHBondContact O-N 2.91Å; T10-T14 VanDerWaalsContact O-CB 3.29Å; T10-T14 WeakPolarHBondContact O-CB 3.37Å; T10-T14 PolarHBondContact O-N 3Å; T10-T14 PolarHBondContact O-OG1 3.18Å; T10-K22 HydrophobicContact CG2-CG 3.96Å; T10-V25 HydrophobicContact CG2-CG1 4.17Å; T10-N26 HydrophobicContact CG2-CB 3.93Å; T10-I29 HydrophobicContact CG2-CD1 4.49Å; T10-I29 WeakPolarHBondContact OG1-CD1 3.4Å |
| 11 | D | 88.9 | Confident | 85.4 | Confident | 55 Ų | 55 | 87.6 Ų | 87.6 | 29% | 0.294 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.5 | -36.1 | 178.9 | -69.8 | -35.2 | 0 | 0 | 0 | 112.7 | Q7 K8 L9 K15 K22 | Q7-D11 PolarHBondContact NE2-OD1 3.25Å; Q7-D11 VanDerWaalsContact NE2-OD1 3.15Å; Q7-D11 PolarHBondContact NE2-OD2 3.41Å; Q7-D11 WeakPolarHBondContact O-CB 3.41Å; Q7-D11 VanDerWaalsContact O-CG 3.23Å; Q7-D11 PolarHBondContact O-N 3.48Å; Q7-D11 VanDerWaalsContact O-OD2 3.06Å; K8-D11 PolarHBondContact O-N 2.69Å; L9-D11 VanDerWaalsContact C-N 3.32Å; L9-D11 PolarHBondContact O-N 3.47Å; D11-K15 WeakPolarHBondContact O-CG 3.33Å; D11-K22 WeakPolarHBondContact OD1-CE 3.32Å; D11-K22 IonicContact OD1-NZ 3.7Å; D11-K22 PolarHBondContact OD1-NZ 3.46Å; D11-K22 IonicContact OD2-NZ 2.64Å |
| 12 | T | 91.5 | Very high | 86.8 | Confident | 81 Ų | 81 | 86.1 Ų | 86.1 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.9 | -50.4 | 174.5 | -68.3 | 0 | 0 | 0 | 0 | 111.4 | K8 L9 T10 T14 K15 S16 | K8-T12 PolarHBondContact O-N 3.33Å; K8-T12 PolarHBondContact O-OG1 3.14Å; L9-T12 PolarHBondContact O-N 3.34Å; T10-T12 VanDerWaalsContact C-N 3.33Å; T10-T12 PolarHBondContact O-N 2.73Å; T12-T14 PolarHBondContact O-N 3.5Å; T12-K15 WeakPolarHBondContact O-CB 3.5Å; T12-K15 PolarHBondContact O-N 3.43Å; T12-S16 PolarHBondContact O-N 3.36Å |
| 13 | L | 90.4 | Very high | 87.8 | Confident | 5 Ų | 5 | 85.4 Ų | 85.4 | 3% | 0.026 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -70.1 | -32.3 | -176.6 | -68.4 | 179.4 | 0 | 0 | 0 | 112.7 | L9 T10 K15 S16 C17 V25 I29 V87 V91 | L9-L13 HydrophobicContact CD1-CD1 3.88Å; L9-L13 HydrophobicContact CD1-CG 4.07Å; L9-L13 HydrophobicContact CG-CD1 4.01Å; L9-L13 HydrophobicContact CG-CG 4.48Å; L9-L13 PolarHBondContact O-N 3.14Å; T10-L13 PolarHBondContact O-N 2.91Å; L13-K15 PolarHBondContact O-N 2.92Å; L13-S16 PolarHBondContact O-N 3.19Å; L13-S16 PolarHBondContact O-OG 3.45Å; L13-C17 WeakPolarHBondContact O-CB 3.12Å; L13-C17 PolarHBondContact O-N 3.34Å; L13-V25 HydrophobicContact CB-CG1 3.86Å; L13-I29 HydrophobicContact CD1-CD1 3.93Å; L13-I29 HydrophobicContact CD1-CG1 4.04Å; L13-V87 HydrophobicContact CD1-CG2 4.37Å; L13-V91 HydrophobicContact CD1-CG2 4.11Å |
| 14 | T | 92.4 | Very high | 88.7 | Confident | 35 Ų | 35 | 75.9 Ų | 75.9 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.3 | -32.7 | 173.6 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | T10 T12 K22 | T10-T14 VanDerWaalsContact O-CB 3.29Å; T10-T14 WeakPolarHBondContact O-CB 3.37Å; T10-T14 PolarHBondContact O-N 3Å; T10-T14 PolarHBondContact O-OG1 3.18Å; T12-T14 PolarHBondContact O-N 3.5Å; T14-K22 HydrophobicContact CG2-CB 3.97Å |
| 15 | K | 90.4 | Very high | 89.6 | Confident | 187 Ų | 187 | 67.4 Ų | 67.4 | 81% | 0.813 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -74.4 | -27.3 | 178.6 | -71.8 | 172.3 | -179.5 | -178 | 0 | 113.4 | D11 T12 L13 | D11-K15 WeakPolarHBondContact O-CG 3.33Å; T12-K15 WeakPolarHBondContact O-CB 3.5Å; T12-K15 PolarHBondContact O-N 3.43Å; L13-K15 PolarHBondContact O-N 2.92Å |
| 16 | S | 87.3 | Confident | 90.2 | Very high | 58 Ų | 58 | 62.2 Ų | 62.2 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -97.3 | -14.9 | 179.7 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | T12 L13 | T12-S16 PolarHBondContact O-N 3.36Å; L13-S16 PolarHBondContact O-N 3.19Å; L13-S16 PolarHBondContact O-OG 3.45Å |
| 17 | C | 87.9 | Confident | 91 | Very high | 13 Ų | 13 | 61.3 Ų | 61.3 | 9% | 0.088 | 30% | 0.299 | C | S | . | . | trans | -85.8 | 132.5 | 178.4 | -170.3 | 0 | 0 | 0 | 0 | 111 | L13 F20 V25 V91 S95 | L13-C17 WeakPolarHBondContact O-CB 3.12Å; L13-C17 PolarHBondContact O-N 3.34Å; C17-F20 VanDerWaalsContact SG-CD2 3.54Å; C17-V25 HydrophobicContact CB-CG2 4.19Å; C17-V91 HydrophobicContact CB-CG1 4.25Å; C17-S95 PolarHBondContact SG-OG 3.49Å | ||
| 18 | K | 89.3 | Confident | 91.6 | Very high | 152 Ų | 152 | 57.4 Ų | 57.4 | 66% | 0.661 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -88.4 | -36.6 | -174.8 | -65 | -179.7 | -174 | 176 | 0 | 113.4 | E104 | K18-E104 WeakPolarHBondContact CD-OE1 3.36Å; K18-E104 WeakPolarHBondContact CE-OE1 3.48Å; K18-E104 IonicContact NZ-OE1 3.96Å; K18-E104 PolarHBondContact NZ-OE1 3.41Å |
| 19 | H | 95.1 | Very high | 91.9 | Very high | 50 Ų | 50 | 50 Ų | 50 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -116.1 | 4.5 | -163.7 | -54.9 | -58.9 | 0 | 0 | 0 | 115.1 | S95 R99 E104 | H19-S95 WeakPolarHBondContact CB-OG 3.11Å; H19-S95 PolarHBondContact CD2-O 2.84Å; H19-S95 VanDerWaalsContact CD2-O 3.26Å; H19-S95 PolarHBondContact CD2-OG 2.76Å; H19-S95 VanDerWaalsContact CD2-OG 3.29Å; H19-S95 PolarHBondContact N-OG 3.1Å; H19-R99 HydrophobicContact CB-CB 3.62Å; H19-R99 PolarHBondContact O-NH1 2.9Å; H19-R99 VanDerWaalsContact O-NH1 3.14Å; H19-E104 IonicContact CD2-OE2 3.25Å; H19-E104 IonicContact CE1-OE2 3.42Å; H19-E104 PolarHBondContact CE1-OE2 2.8Å; H19-E104 IonicContact NE2-OE1 3.94Å; H19-E104 IonicContact NE2-OE2 2.77Å; H19-E104 PolarHBondContact NE2-OE2 3.47Å |
| 20 | F | 95.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 4% | 0.044 | 26% | 0.255 | C | S | . | . | trans | -123.6 | 137.2 | 178.5 | -63.4 | -51 | 0 | 0 | 0 | 111.1 | C17 E24 V25 L28 L94 S95 L98 R99 F203 | C17-F20 VanDerWaalsContact SG-CD2 3.54Å; F20-E24 VanDerWaalsContact CA-OE2 3.31Å; F20-E24 WeakPolarHBondContact CA-OE2 3.49Å; F20-E24 HydrophobicContact CB-CB 3.91Å; F20-E24 HydrophobicContact CD1-CB 4.07Å; F20-E24 HydrophobicContact CG-CB 4.25Å; F20-V25 HydrophobicContact CB-CG2 3.8Å; F20-L28 HydrophobicContact CD2-CD1 3.46Å; F20-L28 VanDerWaalsContact CD2-CD1 3.46Å; F20-L28 HydrophobicContact CE2-CD1 3.35Å; F20-L28 HydrophobicContact CG-CD1 4.21Å; F20-L28 HydrophobicContact CZ-CD1 4.06Å; F20-L94 HydrophobicContact CE2-CB 4.19Å; F20-S95 VanDerWaalsContact CE2-N 3.34Å; F20-L98 HydrophobicContact CZ-CB 4.46Å; F20-L98 HydrophobicContact CZ-CD1 4.09Å; F20-R99 HydrophobicContact CE1-CG 4.26Å; F20-F203 HydrophobicContact CD1-CE2 4.25Å; F20-F203 HydrophobicContact CD1-CZ 4Å; F20-F203 AromaticContact CE1-CE2 3.73Å; F20-F203 HydrophobicContact CE1-CE2 3.73Å; F20-F203 AromaticContact CE1-CZ 3.66Å; F20-F203 HydrophobicContact CE1-CZ 3.66Å; F20-F203 HydrophobicContact CZ-CE2 4.45Å; F20-F203 HydrophobicContact CZ-CZ 4.13Å | ||
| 21 | N | 94.3 | Very high | 92.4 | Very high | 85 Ų | 85 | 52.5 Ų | 52.5 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | trans | -76.9 | 173.6 | 170.9 | 71.8 | 50.5 | 0 | 0 | 0 | 111 | Y23 E24 V25 | N21-Y23 VanDerWaalsContact C-N 3.28Å; N21-Y23 PolarHBondContact O-N 3.45Å; N21-Y23 WeakPolarHBondContact OD1-CA 3.48Å; N21-Y23 VanDerWaalsContact OD1-CB 3.29Å; N21-Y23 WeakPolarHBondContact OD1-CB 3.38Å; N21-Y23 PolarHBondContact OD1-N 3.1Å; N21-E24 PolarHBondContact N-OE2 2.97Å; N21-E24 PolarHBondContact ND2-OE2 2.86Å; N21-E24 VanDerWaalsContact ND2-OE2 3.17Å; N21-E24 PolarHBondContact O-N 3.26Å; N21-E24 PolarHBondContact OD1-N 3.07Å; N21-V25 WeakPolarHBondContact O-CG2 3.46Å; N21-V25 PolarHBondContact O-N 3.3Å | ||
| 22 | K | 93.4 | Very high | 92.6 | Very high | 96 Ų | 96 | 49.9 Ų | 49.9 | 42% | 0.417 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.8 | -36.2 | -177.3 | -174.7 | 170.6 | 170.5 | 168.2 | 0 | 114 | T10 D11 T14 N26 | T10-K22 HydrophobicContact CG2-CG 3.96Å; D11-K22 WeakPolarHBondContact OD1-CE 3.32Å; D11-K22 IonicContact OD1-NZ 3.7Å; D11-K22 PolarHBondContact OD1-NZ 3.46Å; D11-K22 IonicContact OD2-NZ 2.64Å; T14-K22 HydrophobicContact CG2-CB 3.97Å; K22-N26 PolarHBondContact O-N 3.43Å; K22-N26 VanDerWaalsContact O-N 3.14Å |
| 23 | Y | 93.1 | Very high | 92.4 | Very high | 90 Ų | 90 | 49.6 Ų | 49.6 | 35% | 0.353 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.6 | -49.4 | 178.5 | 170.8 | -100.5 | 0 | 0 | 0 | 110.5 | N21 V25 N26 C27 K204 P206 | N21-Y23 VanDerWaalsContact C-N 3.28Å; N21-Y23 PolarHBondContact O-N 3.45Å; N21-Y23 WeakPolarHBondContact OD1-CA 3.48Å; N21-Y23 VanDerWaalsContact OD1-CB 3.29Å; N21-Y23 WeakPolarHBondContact OD1-CB 3.38Å; N21-Y23 PolarHBondContact OD1-N 3.1Å; Y23-V25 PolarHBondContact O-N 3.28Å; Y23-N26 WeakPolarHBondContact O-CA 3.21Å; Y23-N26 WeakPolarHBondContact O-CB 3.46Å; Y23-N26 PolarHBondContact O-N 2.9Å; Y23-C27 VanDerWaalsContact CZ-SG 3.58Å; Y23-C27 PolarHBondContact O-N 2.79Å; Y23-C27 PolarHBondContact O-SG 2.95Å; Y23-K204 PolarHBondContact OH-O 3.29Å; Y23-P206 WeakPolarHBondContact OH-CD 3.12Å |
| 24 | E | 95.3 | Very high | 92.4 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 178.6 | -66.7 | 171.2 | 138.6 | 0 | 0 | 111.5 | F20 N21 N26 C27 L28 R99 F203 | F20-E24 VanDerWaalsContact CA-OE2 3.31Å; F20-E24 WeakPolarHBondContact CA-OE2 3.49Å; F20-E24 HydrophobicContact CB-CB 3.91Å; F20-E24 HydrophobicContact CD1-CB 4.07Å; F20-E24 HydrophobicContact CG-CB 4.25Å; N21-E24 PolarHBondContact N-OE2 2.97Å; N21-E24 PolarHBondContact ND2-OE2 2.86Å; N21-E24 VanDerWaalsContact ND2-OE2 3.17Å; N21-E24 PolarHBondContact O-N 3.26Å; N21-E24 PolarHBondContact OD1-N 3.07Å; E24-N26 VanDerWaalsContact C-N 3.27Å; E24-N26 PolarHBondContact O-N 3.09Å; E24-C27 WeakPolarHBondContact O-CB 3.19Å; E24-C27 PolarHBondContact O-N 2.99Å; E24-C27 VanDerWaalsContact O-N 3.09Å; E24-L28 WeakPolarHBondContact O-CG 3.33Å; E24-L28 PolarHBondContact O-N 2.88Å; E24-R99 IonicContact OE1-CZ 3.52Å; E24-R99 IonicContact OE1-NH1 3.02Å; E24-R99 PolarHBondContact OE1-NH1 3.14Å; E24-R99 IonicContact OE1-NH2 3.36Å; E24-R99 PolarHBondContact OE1-NH2 2.89Å; E24-R99 IonicContact OE2-NH1 3.12Å; E24-R99 PolarHBondContact OE2-NH1 2.97Å; E24-R99 VanDerWaalsContact OE2-NH1 3.11Å; E24-F203 HydrophobicContact CB-CD1 3.97Å; E24-F203 HydrophobicContact CB-CE1 3.77Å; E24-F203 HydrophobicContact CB-CZ 4.19Å; E24-F203 HydrophobicContact CG-CD1 3.91Å; E24-F203 HydrophobicContact CG-CD2 4.42Å; E24-F203 HydrophobicContact CG-CE1 4.15Å; E24-F203 HydrophobicContact CG-CG 4.06Å; E24-F203 HydrophobicContact CG-CZ 4.5Å |
| 25 | V | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.4 | -41.7 | 173.6 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | T10 L13 C17 F20 N21 Y23 L28 I29 V91 | T10-V25 HydrophobicContact CG2-CG1 4.17Å; L13-V25 HydrophobicContact CB-CG1 3.86Å; C17-V25 HydrophobicContact CB-CG2 4.19Å; F20-V25 HydrophobicContact CB-CG2 3.8Å; N21-V25 WeakPolarHBondContact O-CG2 3.46Å; N21-V25 PolarHBondContact O-N 3.3Å; Y23-V25 PolarHBondContact O-N 3.28Å; V25-L28 PolarHBondContact O-N 3.47Å; V25-I29 HydrophobicContact CG1-CD1 3.79Å; V25-I29 HydrophobicContact CG1-CG1 4.42Å; V25-I29 WeakPolarHBondContact O-CD1 3.49Å; V25-I29 WeakPolarHBondContact O-CG1 3.19Å; V25-I29 PolarHBondContact O-N 3.2Å; V25-V91 HydrophobicContact CG1-CG1 4.36Å; V25-V91 HydrophobicContact CG2-CG1 4.25Å |
| 26 | N | 92.7 | Very high | 92 | Very high | 48 Ų | 48 | 46.3 Ų | 46.3 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65 | -39.2 | 176 | -174.1 | 77.6 | 0 | 0 | 0 | 112.6 | T10 K22 Y23 E24 I29 T30 | T10-N26 HydrophobicContact CG2-CB 3.93Å; K22-N26 PolarHBondContact O-N 3.43Å; K22-N26 VanDerWaalsContact O-N 3.14Å; Y23-N26 WeakPolarHBondContact O-CA 3.21Å; Y23-N26 WeakPolarHBondContact O-CB 3.46Å; Y23-N26 PolarHBondContact O-N 2.9Å; E24-N26 VanDerWaalsContact C-N 3.27Å; E24-N26 PolarHBondContact O-N 3.09Å; N26-I29 PolarHBondContact O-N 3.39Å; N26-T30 WeakPolarHBondContact O-CB 3.38Å; N26-T30 PolarHBondContact O-N 3.15Å; N26-T30 PolarHBondContact O-OG1 2.69Å |
| 27 | C | 94.5 | Very high | 91.4 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 13% | 0.128 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 173.8 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | Y23 E24 I29 T30 L31 V202 F203 | Y23-C27 VanDerWaalsContact CZ-SG 3.58Å; Y23-C27 PolarHBondContact O-N 2.79Å; Y23-C27 PolarHBondContact O-SG 2.95Å; E24-C27 WeakPolarHBondContact O-CB 3.19Å; E24-C27 PolarHBondContact O-N 2.99Å; E24-C27 VanDerWaalsContact O-N 3.09Å; C27-I29 PolarHBondContact O-N 2.86Å; C27-T30 PolarHBondContact O-N 3.14Å; C27-L31 WeakPolarHBondContact O-CB 3.38Å; C27-L31 PolarHBondContact O-N 2.93Å; C27-V202 HydrophobicContact CB-CG1 4.19Å; C27-V202 WeakPolarHBondContact CB-O 3.31Å; C27-F203 HydrophobicContact CB-CD1 3.98Å; C27-F203 HydrophobicContact CB-CE1 4.25Å |
| 28 | L | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 178.1 | -66.3 | -178.3 | 0 | 0 | 0 | 112.8 | F20 E24 V25 T30 L31 F32 W90 V91 L94 F198 V202 F203 | F20-L28 HydrophobicContact CD2-CD1 3.46Å; F20-L28 VanDerWaalsContact CD2-CD1 3.46Å; F20-L28 HydrophobicContact CE2-CD1 3.35Å; F20-L28 HydrophobicContact CG-CD1 4.21Å; F20-L28 HydrophobicContact CZ-CD1 4.06Å; E24-L28 WeakPolarHBondContact O-CG 3.33Å; E24-L28 PolarHBondContact O-N 2.88Å; V25-L28 PolarHBondContact O-N 3.47Å; L28-T30 VanDerWaalsContact C-N 3.32Å; L28-L31 PolarHBondContact O-N 2.9Å; L28-F32 WeakPolarHBondContact O-CB 3.37Å; L28-F32 PolarHBondContact O-N 3.48Å; L28-W90 PolarHBondContact O-NE1 3.15Å; L28-V91 HydrophobicContact CB-CG2 3.99Å; L28-V91 HydrophobicContact CD1-CG1 4.4Å; L28-L94 HydrophobicContact CD1-CB 4.39Å; L28-L94 HydrophobicContact CD1-CD1 4.39Å; L28-L94 HydrophobicContact CD2-CD1 3.7Å; L28-F198 HydrophobicContact CD2-CE1 4.2Å; L28-F198 HydrophobicContact CD2-CZ 4.27Å; L28-V202 HydrophobicContact CD2-CG1 4.05Å; L28-F203 HydrophobicContact CD1-CE1 4.49Å; L28-F203 HydrophobicContact CD1-CZ 4.29Å; L28-F203 HydrophobicContact CD2-CE1 3.73Å; L28-F203 HydrophobicContact CD2-CZ 3.79Å; L28-F203 HydrophobicContact CG-CE1 3.82Å; L28-F203 HydrophobicContact CG-CZ 4.04Å |
| 29 | I | 92.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.3 | -43 | 174.7 | -68.2 | 164.3 | 0 | 0 | 0 | 110.3 | M1 L6 L9 T10 L13 V25 N26 C27 F32 Y33 V87 V91 | M1-I29 HydrophobicContact CE-CG2 4.3Å; L6-I29 HydrophobicContact CD1-CB 4.4Å; L6-I29 HydrophobicContact CD1-CG2 3.53Å; L9-I29 HydrophobicContact CD2-CG2 4.19Å; L9-I29 HydrophobicContact CG-CD1 4.27Å; T10-I29 HydrophobicContact CG2-CD1 4.49Å; T10-I29 WeakPolarHBondContact OG1-CD1 3.4Å; L13-I29 HydrophobicContact CD1-CD1 3.93Å; L13-I29 HydrophobicContact CD1-CG1 4.04Å; V25-I29 HydrophobicContact CG1-CD1 3.79Å; V25-I29 HydrophobicContact CG1-CG1 4.42Å; V25-I29 WeakPolarHBondContact O-CD1 3.49Å; V25-I29 WeakPolarHBondContact O-CG1 3.19Å; V25-I29 PolarHBondContact O-N 3.2Å; N26-I29 PolarHBondContact O-N 3.39Å; C27-I29 PolarHBondContact O-N 2.86Å; I29-F32 PolarHBondContact O-N 3.3Å; I29-Y33 HydrophobicContact CG2-CD2 3.77Å; I29-Y33 HydrophobicContact CG2-CE2 3.56Å; I29-Y33 WeakPolarHBondContact O-CD2 2.83Å; I29-Y33 PolarHBondContact O-N 3.33Å; I29-Y33 VanDerWaalsContact O-N 3.15Å; I29-V87 HydrophobicContact CB-CG2 4.42Å; I29-V87 HydrophobicContact CG1-CG2 4.02Å; I29-V87 HydrophobicContact CG2-CG2 4.22Å; I29-V91 HydrophobicContact CG1-CG2 4.17Å |
| 30 | T | 91.2 | Very high | 87 | Confident | 58 Ų | 58 | 43.1 Ų | 43.1 | 36% | 0.356 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 179.1 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | N26 C27 L28 F32 Y33 N34 | N26-T30 WeakPolarHBondContact O-CB 3.38Å; N26-T30 PolarHBondContact O-N 3.15Å; N26-T30 PolarHBondContact O-OG1 2.69Å; C27-T30 PolarHBondContact O-N 3.14Å; L28-T30 VanDerWaalsContact C-N 3.32Å; T30-F32 PolarHBondContact O-N 3.09Å; T30-Y33 PolarHBondContact O-N 3.47Å; T30-N34 VanDerWaalsContact O-CG 3.29Å; T30-N34 PolarHBondContact O-N 3.48Å; T30-N34 VanDerWaalsContact O-N 3.09Å; T30-N34 PolarHBondContact O-ND2 3.01Å |
| 31 | L | 93.2 | Very high | 85.1 | Confident | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.199 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 175.2 | 177 | 60.1 | 0 | 0 | 0 | 111.5 | C27 L28 Y33 N34 L35 W90 F198 V202 | C27-L31 WeakPolarHBondContact O-CB 3.38Å; C27-L31 PolarHBondContact O-N 2.93Å; L28-L31 PolarHBondContact O-N 2.9Å; L31-Y33 PolarHBondContact O-N 3.11Å; L31-N34 PolarHBondContact O-N 3.22Å; L31-L35 HydrophobicContact CD1-CD1 3.89Å; L31-L35 HydrophobicContact CD1-CG 4.04Å; L31-L35 HydrophobicContact CG-CD1 3.8Å; L31-L35 HydrophobicContact CG-CG 4.4Å; L31-L35 VanDerWaalsContact O-CG 3.31Å; L31-L35 WeakPolarHBondContact O-CG 3.41Å; L31-L35 PolarHBondContact O-N 3.36Å; L31-W90 HydrophobicContact CD2-CZ2 3.88Å; L31-W90 HydrophobicContact CG-CZ2 4.16Å; L31-F198 HydrophobicContact CD2-CE2 3.83Å; L31-F198 HydrophobicContact CD2-CZ 3.71Å; L31-V202 HydrophobicContact CD2-CG1 3.96Å; L31-V202 HydrophobicContact CD2-CG2 3.71Å |
| 32 | F | 93.2 | Very high | 83.3 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.7 | -50.1 | 177.8 | 177.4 | -94 | 0 | 0 | 0 | 112 | L28 I29 T30 N34 L35 V36 L49 V85 V87 W90 | L28-F32 WeakPolarHBondContact O-CB 3.37Å; L28-F32 PolarHBondContact O-N 3.48Å; I29-F32 PolarHBondContact O-N 3.3Å; T30-F32 PolarHBondContact O-N 3.09Å; F32-N34 VanDerWaalsContact C-N 3.32Å; F32-N34 PolarHBondContact O-N 2.93Å; F32-L35 PolarHBondContact O-N 3.12Å; F32-V36 HydrophobicContact CD1-CG2 4.12Å; F32-V36 HydrophobicContact CD2-CG2 4.4Å; F32-V36 HydrophobicContact CE1-CG2 3.71Å; F32-V36 HydrophobicContact CE2-CG2 4.02Å; F32-V36 HydrophobicContact CG-CG2 4.45Å; F32-V36 HydrophobicContact CZ-CG2 3.66Å; F32-V36 WeakPolarHBondContact O-CB 2.98Å; F32-V36 WeakPolarHBondContact O-CG2 3.41Å; F32-V36 PolarHBondContact O-N 3.02Å; F32-L49 HydrophobicContact CD2-CD1 3.93Å; F32-L49 HydrophobicContact CD2-CG 4.26Å; F32-L49 HydrophobicContact CE2-CD1 3.91Å; F32-L49 HydrophobicContact CE2-CG 3.86Å; F32-V85 VanDerWaalsContact CE2-O 3.3Å; F32-V85 WeakPolarHBondContact CE2-O 3.46Å; F32-V87 HydrophobicContact CB-CG2 4.35Å; F32-V87 HydrophobicContact CD1-CB 3.69Å; F32-V87 HydrophobicContact CD1-CG2 3.79Å; F32-V87 HydrophobicContact CE1-CB 3.66Å; F32-V87 HydrophobicContact CE1-CG2 4.29Å; F32-V87 HydrophobicContact CG-CB 4.19Å; F32-V87 HydrophobicContact CG-CG2 4.07Å; F32-V87 HydrophobicContact CZ-CB 4.13Å; F32-V87 VanDerWaalsContact CZ-N 3.35Å; F32-W90 HydrophobicContact CB-CG 4.2Å; F32-W90 HydrophobicContact CD2-CB 3.66Å; F32-W90 HydrophobicContact CD2-CD2 4.01Å; F32-W90 AromaticContact CD2-CG 3.63Å; F32-W90 HydrophobicContact CD2-CG 3.63Å; F32-W90 HydrophobicContact CE2-CB 4.08Å; F32-W90 HydrophobicContact CE2-CG 4.47Å; F32-W90 HydrophobicContact CG-CG 4.31Å |
| 33 | Y | 89 | Confident | 81.5 | Confident | 75 Ų | 75 | 56.6 Ų | 56.6 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.1 | -26.9 | -179 | -74.4 | -63.9 | 0 | 0 | 0 | 113.7 | M1 L9 I29 T30 L31 G37 V87 | M1-Y33 HydrophobicContact CE-CD2 3.72Å; M1-Y33 HydrophobicContact CE-CE2 3.34Å; M1-Y33 HydrophobicContact SD-CE2 4.14Å; L9-Y33 HydrophobicContact CD2-CE2 4.33Å; I29-Y33 HydrophobicContact CG2-CD2 3.77Å; I29-Y33 HydrophobicContact CG2-CE2 3.56Å; I29-Y33 WeakPolarHBondContact O-CD2 2.83Å; I29-Y33 PolarHBondContact O-N 3.33Å; I29-Y33 VanDerWaalsContact O-N 3.15Å; T30-Y33 PolarHBondContact O-N 3.47Å; L31-Y33 PolarHBondContact O-N 3.11Å; Y33-G37 PolarHBondContact O-N 3.37Å; Y33-V87 HydrophobicContact CE2-CG2 4.39Å |
| 34 | N | 88.6 | Confident | 79.6 | Confident | 99 Ų | 99 | 55.8 Ų | 55.8 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.8 | -47.3 | 171.4 | -68.2 | -16 | 0 | 0 | 0 | 110.5 | T30 L31 F32 V36 G37 D38 | T30-N34 VanDerWaalsContact O-CG 3.29Å; T30-N34 PolarHBondContact O-N 3.48Å; T30-N34 VanDerWaalsContact O-N 3.09Å; T30-N34 PolarHBondContact O-ND2 3.01Å; L31-N34 PolarHBondContact O-N 3.22Å; F32-N34 VanDerWaalsContact C-N 3.32Å; F32-N34 PolarHBondContact O-N 2.93Å; N34-V36 PolarHBondContact O-N 2.62Å; N34-G37 PolarHBondContact O-N 2.99Å; N34-D38 PolarHBondContact O-N 3.41Å; N34-D38 VanDerWaalsContact O-N 3.1Å |
| 35 | L | 88.2 | Confident | 77.7 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 25% | 0.251 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 177.7 | -67 | 167.5 | 0 | 0 | 0 | 112.2 | L31 F32 A39 L49 I57 W90 | L31-L35 HydrophobicContact CD1-CD1 3.89Å; L31-L35 HydrophobicContact CD1-CG 4.04Å; L31-L35 HydrophobicContact CG-CD1 3.8Å; L31-L35 HydrophobicContact CG-CG 4.4Å; L31-L35 VanDerWaalsContact O-CG 3.31Å; L31-L35 WeakPolarHBondContact O-CG 3.41Å; L31-L35 PolarHBondContact O-N 3.36Å; F32-L35 PolarHBondContact O-N 3.12Å; L35-A39 PolarHBondContact O-N 2.87Å; L35-L49 HydrophobicContact CB-CD2 4.05Å; L35-I57 HydrophobicContact CD1-CD1 3.85Å; L35-I57 HydrophobicContact CD1-CG1 4.47Å; L35-I57 HydrophobicContact CD2-CD1 4.37Å; L35-I57 HydrophobicContact CD2-CG1 4.41Å; L35-I57 HydrophobicContact CG-CD1 4.48Å; L35-W90 HydrophobicContact CD1-CH2 3.82Å; L35-W90 HydrophobicContact CD1-CZ2 3.93Å |
| 36 | V | 86.3 | Confident | 75.7 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 6% | 0.061 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.7 | -36.7 | 174.9 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | F32 N34 D38 A39 A40 L49 | F32-V36 HydrophobicContact CD1-CG2 4.12Å; F32-V36 HydrophobicContact CD2-CG2 4.4Å; F32-V36 HydrophobicContact CE1-CG2 3.71Å; F32-V36 HydrophobicContact CE2-CG2 4.02Å; F32-V36 HydrophobicContact CG-CG2 4.45Å; F32-V36 HydrophobicContact CZ-CG2 3.66Å; F32-V36 WeakPolarHBondContact O-CB 2.98Å; F32-V36 WeakPolarHBondContact O-CG2 3.41Å; F32-V36 PolarHBondContact O-N 3.02Å; N34-V36 PolarHBondContact O-N 2.62Å; V36-D38 VanDerWaalsContact C-N 3.34Å; V36-D38 PolarHBondContact O-N 2.89Å; V36-A39 CarbonylContact O-C 3.33Å; V36-A39 PolarHBondContact O-N 2.94Å; V36-A39 VanDerWaalsContact O-N 3.12Å; V36-A40 WeakPolarHBondContact O-CB 3.19Å; V36-A40 PolarHBondContact O-N 2.68Å; V36-L49 HydrophobicContact CG2-CD2 3.69Å; V36-L49 HydrophobicContact CG2-CG 3.91Å |
| 37 | G | 75.6 | Confident | 74.8 | Confident | 33 Ų | 33 | 66.5 Ų | 66.5 | 34% | 0.34 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -56.3 | -48.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y33 N34 A39 A40 E41 | Y33-G37 PolarHBondContact O-N 3.37Å; N34-G37 PolarHBondContact O-N 2.99Å; G37-A39 PolarHBondContact O-N 2.95Å; G37-A40 PolarHBondContact O-N 3.06Å; G37-E41 PolarHBondContact O-N 2.86Å |
| 38 | D | 62.7 | Low | 74.5 | Confident | 102 Ų | 102 | 66 Ų | 66 | 55% | 0.545 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.9 | -25 | 176.8 | -67.8 | -13.7 | 0 | 0 | 0 | 113.4 | N34 V36 R42 | N34-D38 PolarHBondContact O-N 3.41Å; N34-D38 VanDerWaalsContact O-N 3.1Å; V36-D38 VanDerWaalsContact C-N 3.34Å; V36-D38 PolarHBondContact O-N 2.89Å; D38-R42 PolarHBondContact O-NE 3.11Å; D38-R42 VanDerWaalsContact O-NE 3.13Å |
| 39 | A | 59.8 | Low | 74.3 | Confident | 24 Ų | 24 | 66 Ų | 66 | 20% | 0.198 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -89.1 | -36.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | L35 V36 G37 E41 R42 S43 | L35-A39 PolarHBondContact O-N 2.87Å; V36-A39 CarbonylContact O-C 3.33Å; V36-A39 PolarHBondContact O-N 2.94Å; V36-A39 VanDerWaalsContact O-N 3.12Å; G37-A39 PolarHBondContact O-N 2.95Å; A39-E41 PolarHBondContact O-N 2.78Å; A39-R42 WeakPolarHBondContact O-CB 3.19Å; A39-R42 PolarHBondContact O-N 2.97Å; A39-S43 PolarHBondContact O-N 3.48Å |
| 40 | A | 57.7 | Low | 74.3 | Confident | 47 Ų | 47 | 68.7 Ų | 68.7 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71 | -29.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V36 G37 R42 S43 G44 | V36-A40 WeakPolarHBondContact O-CB 3.19Å; V36-A40 PolarHBondContact O-N 2.68Å; G37-A40 PolarHBondContact O-N 3.06Å; A40-R42 PolarHBondContact O-N 2.84Å; A40-S43 PolarHBondContact O-N 2.87Å; A40-G44 PolarHBondContact O-N 2.97Å |
| 41 | E | 54.8 | Low | 74.4 | Confident | 177 Ų | 177 | 70.6 Ų | 70.6 | 83% | 0.827 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -55.7 | -20.9 | 168.1 | -73.4 | -172.5 | 172.2 | 0 | 0 | 112.6 | G37 A39 | G37-E41 PolarHBondContact O-N 2.86Å; A39-E41 PolarHBondContact O-N 2.78Å |
| 42 | R | 57 | Low | 74.3 | Confident | 210 Ų | 210 | 74 Ų | 74 | 79% | 0.792 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -100.5 | -26.7 | -177.1 | -49.4 | -178 | -155.2 | -160.3 | 1.7 | 114.5 | D38 A39 A40 | D38-R42 PolarHBondContact O-NE 3.11Å; D38-R42 VanDerWaalsContact O-NE 3.13Å; A39-R42 WeakPolarHBondContact O-CB 3.19Å; A39-R42 PolarHBondContact O-N 2.97Å; A40-R42 PolarHBondContact O-N 2.84Å |
| 43 | S | 55.5 | Low | 74.3 | Confident | 87 Ų | 87 | 75 Ų | 75 | 61% | 0.608 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -128.1 | -4.7 | -163.5 | -131.5 | 0 | 0 | 0 | 0 | 116.2 | A39 A40 A45 | A39-S43 PolarHBondContact O-N 3.48Å; A40-S43 PolarHBondContact O-N 2.87Å; S43-A45 VanDerWaalsContact C-N 3.29Å; S43-A45 PolarHBondContact O-N 3.28Å |
| 44 | G | 52.7 | Low | 74.6 | Confident | 74 Ų | 74 | 71.5 Ų | 71.5 | 76% | 0.763 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 66.2 | -7 | 160 | 0 | 0 | 0 | 0 | 0 | 120.2 | A40 | A40-G44 PolarHBondContact O-N 2.97Š|
| 45 | A | 57 | Low | 74.9 | Confident | 92 Ų | 92 | 71.1 Ų | 71.1 | 76% | 0.76 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -160 | 21.2 | -175 | 0 | 0 | 0 | 0 | 0 | 119.7 | S43 | S43-A45 VanDerWaalsContact C-N 3.29Å; S43-A45 PolarHBondContact O-N 3.28Å |
| 46 | V | 53.2 | Low | 75.2 | Confident | 87 Ų | 87 | 73.1 Ų | 73.1 | 53% | 0.527 | 42% | 0.422 | S | S | . | . | trans | -134.8 | 131.1 | 171.6 | -169.6 | 0 | 0 | 0 | 0 | 111.8 | G48 C84 | V46-G48 VanDerWaalsContact C-N 3.27Å; V46-G48 PolarHBondContact O-N 3.07Å; V46-C84 HydrophobicContact CG1-CB 4.14Å; V46-C84 VanDerWaalsContact CG1-SG 3.58Å | ||
| 47 | V | 73.8 | Confident | 75.6 | Confident | 115 Ų | 115 | 73.4 Ų | 73.4 | 70% | 0.697 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -90.6 | 65.4 | 174.6 | -171.3 | 0 | 0 | 0 | 0 | 108.3 | ||
| 48 | G | 86.6 | Confident | 76.6 | Confident | 9 Ų | 9 | 71.9 Ų | 71.9 | 9% | 0.093 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -169.2 | 163.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V46 | V46-G48 VanDerWaalsContact C-N 3.27Å; V46-G48 PolarHBondContact O-N 3.07Å |
| 49 | L | 92.1 | Very high | 78.1 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 108.6 | 171 | -64 | 169.7 | 0 | 0 | 0 | 108.3 | F32 L35 V36 A53 F54 I57 C84 V85 W90 | F32-L49 HydrophobicContact CD2-CD1 3.93Å; F32-L49 HydrophobicContact CD2-CG 4.26Å; F32-L49 HydrophobicContact CE2-CD1 3.91Å; F32-L49 HydrophobicContact CE2-CG 3.86Å; L35-L49 HydrophobicContact CB-CD2 4.05Å; V36-L49 HydrophobicContact CG2-CD2 3.69Å; V36-L49 HydrophobicContact CG2-CG 3.91Å; L49-A53 HydrophobicContact CD2-CB 4.31Å; L49-F54 HydrophobicContact CB-CB 4.46Å; L49-F54 HydrophobicContact CD1-CD2 4.26Å; L49-I57 HydrophobicContact CD1-CD1 3.77Å; L49-I57 HydrophobicContact CD2-CD1 4.1Å; L49-C84 CarbonylContact O-C 3.52Å; L49-C84 WeakPolarHBondContact O-CA 3.29Å; L49-V85 HydrophobicContact CB-CB 4.32Å; L49-V85 PolarHBondContact N-O 3Å; L49-V85 PolarHBondContact O-N 3.38Å; L49-W90 HydrophobicContact CD1-CD2 4.44Å; L49-W90 HydrophobicContact CD1-CE3 3.67Å; L49-W90 HydrophobicContact CD1-CZ3 3.75Å |
| 50 | D | 92.3 | Very high | 79.7 | Confident | 56 Ų | 56 | 74.4 Ų | 74.4 | 30% | 0.299 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 168.9 | 172.7 | 74.4 | 30.3 | 0 | 0 | 0 | 111.6 | N52 A53 F54 | D50-N52 PolarHBondContact O-N 3.39Å; D50-N52 WeakPolarHBondContact OD1-CA 3.43Å; D50-N52 WeakPolarHBondContact OD1-CB 3.3Å; D50-N52 PolarHBondContact OD1-N 2.76Å; D50-A53 PolarHBondContact O-N 2.93Å; D50-A53 PolarHBondContact OD1-N 3.5Å; D50-F54 WeakPolarHBondContact O-CB 3.44Å; D50-F54 PolarHBondContact O-N 2.84Å |
| 51 | R | 92.9 | Very high | 81.4 | Confident | 98 Ų | 98 | 74.1 Ų | 74.1 | 37% | 0.37 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -52.6 | -39.2 | -178.9 | -172.4 | 173.7 | -68.1 | -153.2 | 2.2 | 113.6 | R55 D71 F74 | R51-R55 VanDerWaalsContact O-CB 3.26Å; R51-R55 WeakPolarHBondContact O-CB 3.31Å; R51-R55 PolarHBondContact O-N 2.86Å; R51-D71 WeakPolarHBondContact CD-OD1 3.24Å; R51-D71 IonicContact CZ-OD1 2.73Å; R51-D71 VanDerWaalsContact CZ-OD1 3.31Å; R51-D71 IonicContact NE-OD1 2.77Å; R51-D71 IonicContact NH1-OD1 3.48Å; R51-D71 PolarHBondContact NH1-OD1 3.17Å; R51-D71 IonicContact NH1-OD2 2.99Å; R51-D71 PolarHBondContact NH1-OD2 2.94Å; R51-F74 HydrophobicContact CB-CD1 4.49Å; R51-F74 HydrophobicContact CB-CD2 4.43Å; R51-F74 HydrophobicContact CB-CE1 4.27Å; R51-F74 HydrophobicContact CB-CE2 4.16Å; R51-F74 HydrophobicContact CB-CZ 4.09Å; R51-F74 HydrophobicContact CG-CD1 4.2Å; R51-F74 HydrophobicContact CG-CD2 4.48Å; R51-F74 HydrophobicContact CG-CE1 4.44Å; R51-F74 HydrophobicContact CG-CG 4.24Å |
| 52 | N | 92.4 | Very high | 83.3 | Confident | 110 Ų | 110 | 66 Ų | 66 | 59% | 0.588 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -75 | -43.9 | -177.6 | -68.4 | -43.3 | 0 | 0 | 0 | 111.5 | D50 F54 R55 N56 | D50-N52 PolarHBondContact O-N 3.39Å; D50-N52 WeakPolarHBondContact OD1-CA 3.43Å; D50-N52 WeakPolarHBondContact OD1-CB 3.3Å; D50-N52 PolarHBondContact OD1-N 2.76Å; N52-F54 VanDerWaalsContact C-N 3.32Å; N52-F54 PolarHBondContact O-N 3.17Å; N52-R55 PolarHBondContact O-N 3.19Å; N52-N56 VanDerWaalsContact O-CG 3.24Å; N52-N56 PolarHBondContact O-N 2.86Å; N52-N56 PolarHBondContact O-ND2 2.8Å |
| 53 | A | 93.1 | Very high | 85 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 17% | 0.165 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L49 D50 N56 I57 | L49-A53 HydrophobicContact CD2-CB 4.31Å; D50-A53 PolarHBondContact O-N 2.93Å; D50-A53 PolarHBondContact OD1-N 3.5Å; A53-N56 PolarHBondContact O-N 3.3Å; A53-I57 WeakPolarHBondContact O-CG1 3.34Å; A53-I57 PolarHBondContact O-N 3.04Å; A53-I57 VanDerWaalsContact O-N 3.15Å |
| 54 | F | 95.4 | Very high | 86.8 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.013 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.1 | -43.8 | 178.2 | -166.9 | -98.9 | 0 | 0 | 0 | 112.5 | L49 D50 N52 N56 I57 L58 V73 F74 F77 V85 W90 | L49-F54 HydrophobicContact CB-CB 4.46Å; L49-F54 HydrophobicContact CD1-CD2 4.26Å; D50-F54 WeakPolarHBondContact O-CB 3.44Å; D50-F54 PolarHBondContact O-N 2.84Å; N52-F54 VanDerWaalsContact C-N 3.32Å; N52-F54 PolarHBondContact O-N 3.17Å; F54-N56 VanDerWaalsContact C-N 3.28Å; F54-N56 PolarHBondContact O-N 3.31Å; F54-I57 WeakPolarHBondContact O-CA 3.42Å; F54-I57 WeakPolarHBondContact O-CB 3.23Å; F54-I57 PolarHBondContact O-N 2.95Å; F54-L58 HydrophobicContact CD1-CD1 3.91Å; F54-L58 HydrophobicContact CD1-CG 4.02Å; F54-L58 HydrophobicContact CE1-CD1 3.74Å; F54-L58 HydrophobicContact CE1-CD2 3.87Å; F54-L58 HydrophobicContact CE1-CG 3.84Å; F54-L58 HydrophobicContact CZ-CD2 4.15Å; F54-L58 PolarHBondContact O-N 2.57Å; F54-V73 HydrophobicContact CE1-CG1 4.2Å; F54-F74 HydrophobicContact CB-CD2 3.73Å; F54-F74 HydrophobicContact CB-CE2 4.13Å; F54-F74 HydrophobicContact CD1-CB 3.94Å; F54-F74 AromaticContact CD1-CD2 3.65Å; F54-F74 HydrophobicContact CD1-CD2 3.65Å; F54-F74 HydrophobicContact CD1-CG 4.3Å; F54-F74 HydrophobicContact CE1-CB 4.32Å; F54-F74 HydrophobicContact CE1-CD2 4.48Å; F54-F74 AromaticContact CG-CD2 3.85Å; F54-F74 HydrophobicContact CG-CD2 3.85Å; F54-F77 HydrophobicContact CE1-CD2 4.45Å; F54-F77 HydrophobicContact CE1-CG 4.29Å; F54-F77 AromaticContact CE2-CD1 3.78Å; F54-F77 HydrophobicContact CE2-CD1 3.78Å; F54-F77 HydrophobicContact CE2-CE1 4.11Å; F54-F77 HydrophobicContact CE2-CG 4.22Å; F54-F77 HydrophobicContact CZ-CB 4.07Å; F54-F77 AromaticContact CZ-CD1 3.51Å; F54-F77 HydrophobicContact CZ-CD1 3.51Å; F54-F77 AromaticContact CZ-CD2 3.93Å; F54-F77 HydrophobicContact CZ-CD2 3.93Å; F54-F77 AromaticContact CZ-CE1 3.79Å; F54-F77 HydrophobicContact CZ-CE1 3.79Å; F54-F77 HydrophobicContact CZ-CE2 4.2Å; F54-F77 AromaticContact CZ-CG 3.57Å; F54-F77 HydrophobicContact CZ-CG 3.57Å; F54-F77 HydrophobicContact CZ-CZ 4.13Å; F54-V85 HydrophobicContact CD2-CB 4.35Å; F54-V85 HydrophobicContact CD2-CG2 3.99Å; F54-V85 HydrophobicContact CE2-CG1 4.46Å; F54-V85 HydrophobicContact CE2-CG2 4.19Å; F54-V85 HydrophobicContact CG-CG2 4.28Å; F54-W90 HydrophobicContact CD2-CE3 4.45Å; F54-W90 HydrophobicContact CD2-CZ3 4.19Å; F54-W90 AromaticContact CE2-CE3 3.98Å; F54-W90 HydrophobicContact CE2-CE3 3.98Å; F54-W90 AromaticContact CE2-CZ3 3.81Å; F54-W90 HydrophobicContact CE2-CZ3 3.81Å |
| 55 | R | 94.8 | Very high | 88.6 | Confident | 91 Ų | 91 | 60.2 Ų | 60.2 | 34% | 0.343 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.7 | -40.9 | 174.2 | 179 | 171.9 | 167.8 | -92.4 | 5.6 | 111.9 | R51 N52 I57 L58 H59 D67 M70 | R51-R55 VanDerWaalsContact O-CB 3.26Å; R51-R55 WeakPolarHBondContact O-CB 3.31Å; R51-R55 PolarHBondContact O-N 2.86Å; N52-R55 PolarHBondContact O-N 3.19Å; R55-I57 VanDerWaalsContact C-N 3.3Å; R55-I57 PolarHBondContact O-N 2.77Å; R55-L58 PolarHBondContact O-N 3.07Å; R55-H59 WeakPolarHBondContact O-CB 3.24Å; R55-H59 PolarHBondContact O-N 2.92Å; R55-D67 IonicContact CZ-OD1 2.69Å; R55-D67 IonicContact NE-OD1 3.94Å; R55-D67 PolarHBondContact NE-OD1 2.62Å; R55-D67 IonicContact NH2-OD1 3.33Å; R55-D67 PolarHBondContact NH2-OD1 2.99Å; R55-D67 IonicContact NH2-OD2 2.62Å; R55-D67 PolarHBondContact NH2-OD2 3.34Å; R55-D67 VanDerWaalsContact NH2-OD2 3.15Å; R55-M70 HydrophobicContact CG-CB 4.25Å; R55-M70 HydrophobicContact CG-CE 3.96Å; R55-M70 HydrophobicContact CG-SD 3.84Å |
| 56 | N | 94.1 | Very high | 90.1 | Very high | 90 Ų | 90 | 56.7 Ų | 56.7 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 175.7 | -72 | -23.9 | 0 | 0 | 0 | 112.1 | N52 A53 F54 H59 V60 | N52-N56 VanDerWaalsContact O-CG 3.24Å; N52-N56 PolarHBondContact O-N 2.86Å; N52-N56 PolarHBondContact O-ND2 2.8Å; A53-N56 PolarHBondContact O-N 3.3Å; F54-N56 VanDerWaalsContact C-N 3.28Å; F54-N56 PolarHBondContact O-N 3.31Å; N56-H59 PolarHBondContact O-N 2.72Å; N56-V60 WeakPolarHBondContact O-CB 3.19Å; N56-V60 WeakPolarHBondContact O-CG2 3.44Å; N56-V60 PolarHBondContact O-N 2.89Å |
| 57 | I | 94.6 | Very high | 91.9 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 8% | 0.082 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 174.2 | -66.4 | 160.1 | 0 | 0 | 0 | 110.2 | L35 L49 A53 F54 R55 H59 V60 T61 W90 | L35-I57 HydrophobicContact CD1-CD1 3.85Å; L35-I57 HydrophobicContact CD1-CG1 4.47Å; L35-I57 HydrophobicContact CD2-CD1 4.37Å; L35-I57 HydrophobicContact CD2-CG1 4.41Å; L35-I57 HydrophobicContact CG-CD1 4.48Å; L49-I57 HydrophobicContact CD1-CD1 3.77Å; L49-I57 HydrophobicContact CD2-CD1 4.1Å; A53-I57 WeakPolarHBondContact O-CG1 3.34Å; A53-I57 PolarHBondContact O-N 3.04Å; A53-I57 VanDerWaalsContact O-N 3.15Å; F54-I57 WeakPolarHBondContact O-CA 3.42Å; F54-I57 WeakPolarHBondContact O-CB 3.23Å; F54-I57 PolarHBondContact O-N 2.95Å; R55-I57 VanDerWaalsContact C-N 3.3Å; R55-I57 PolarHBondContact O-N 2.77Å; I57-H59 VanDerWaalsContact C-N 3.27Å; I57-H59 PolarHBondContact O-N 3.17Å; I57-V60 PolarHBondContact O-N 2.95Å; I57-T61 WeakPolarHBondContact O-CA 3.32Å; I57-T61 WeakPolarHBondContact O-CB 3.38Å; I57-T61 PolarHBondContact O-N 2.93Å; I57-T61 PolarHBondContact O-OG1 3.44Å; I57-W90 HydrophobicContact CD1-CH2 4.43Å; I57-W90 HydrophobicContact CD1-CZ3 4.28Å; I57-W90 HydrophobicContact CG2-CH2 4.12Å; I57-W90 HydrophobicContact CG2-CZ3 4.38Å |
| 58 | L | 95.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.5 | -43 | 177 | -64.8 | -179.6 | 0 | 0 | 0 | 111.9 | F54 R55 F62 R63 M64 M70 V73 F97 | F54-L58 HydrophobicContact CD1-CD1 3.91Å; F54-L58 HydrophobicContact CD1-CG 4.02Å; F54-L58 HydrophobicContact CE1-CD1 3.74Å; F54-L58 HydrophobicContact CE1-CD2 3.87Å; F54-L58 HydrophobicContact CE1-CG 3.84Å; F54-L58 HydrophobicContact CZ-CD2 4.15Å; F54-L58 PolarHBondContact O-N 2.57Å; R55-L58 PolarHBondContact O-N 3.07Å; L58-F62 HydrophobicContact CD2-CD2 4.06Å; L58-F62 CarbonylContact O-C 3.2Å; L58-F62 WeakPolarHBondContact O-CA 3.34Å; L58-F62 WeakPolarHBondContact O-CB 3.42Å; L58-F62 PolarHBondContact O-N 2.87Å; L58-F62 VanDerWaalsContact O-N 3.07Å; L58-R63 PolarHBondContact O-N 2.99Å; L58-M64 HydrophobicContact CB-CB 4.25Å; L58-M64 HydrophobicContact CB-CG 4.41Å; L58-M64 HydrophobicContact CB-SD 4.07Å; L58-M64 HydrophobicContact CD1-SD 4.29Å; L58-M64 HydrophobicContact CD2-SD 4.02Å; L58-M64 HydrophobicContact CG-SD 4.35Å; L58-M64 PolarHBondContact O-N 3.08Å; L58-M70 HydrophobicContact CB-CG 4.09Å; L58-M70 HydrophobicContact CB-SD 3.98Å; L58-M70 HydrophobicContact CD1-CB 3.91Å; L58-M70 HydrophobicContact CD1-CG 3.91Å; L58-V73 HydrophobicContact CD1-CB 3.99Å; L58-V73 HydrophobicContact CD1-CG1 3.65Å; L58-V73 HydrophobicContact CD2-CG1 3.81Å; L58-V73 HydrophobicContact CG-CG1 4.39Å; L58-F97 HydrophobicContact CD2-CZ 4.28Å |
| 59 | H | 94.5 | Very high | 93 | Very high | 90 Ų | 90 | 52.9 Ų | 52.9 | 42% | 0.417 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.7 | -49.5 | -179.6 | -176.9 | 64.7 | 0 | 0 | 0 | 113.4 | R55 N56 I57 R63 M64 M70 | R55-H59 WeakPolarHBondContact O-CB 3.24Å; R55-H59 PolarHBondContact O-N 2.92Å; N56-H59 PolarHBondContact O-N 2.72Å; I57-H59 VanDerWaalsContact C-N 3.27Å; I57-H59 PolarHBondContact O-N 3.17Å; H59-R63 VanDerWaalsContact O-CA 3.25Å; H59-R63 WeakPolarHBondContact O-CA 3.18Å; H59-R63 PolarHBondContact O-N 3.3Å; H59-M64 WeakPolarHBondContact CA-O 3.46Å; H59-M64 PolarHBondContact ND1-O 3.09Å; H59-M70 HydrophobicContact CB-SD 4.24Å |
| 60 | V | 93.8 | Very high | 93.1 | Very high | 88 Ų | 88 | 53 Ų | 53 | 53% | 0.533 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -75.7 | -44 | -174.4 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | N56 I57 R63 | N56-V60 WeakPolarHBondContact O-CB 3.19Å; N56-V60 WeakPolarHBondContact O-CG2 3.44Å; N56-V60 PolarHBondContact O-N 2.89Å; I57-V60 PolarHBondContact O-N 2.95Å; V60-R63 PolarHBondContact O-NH1 3.37Å |
| 61 | T | 93.1 | Very high | 93.2 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 26% | 0.258 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -86 | -45.2 | -172 | -54.7 | 0 | 0 | 0 | 0 | 112 | I57 F198 | I57-T61 WeakPolarHBondContact O-CA 3.32Å; I57-T61 WeakPolarHBondContact O-CB 3.38Å; I57-T61 PolarHBondContact O-N 2.93Å; I57-T61 PolarHBondContact O-OG1 3.44Å; T61-F198 HydrophobicContact CG2-CB 4.42Å; T61-F198 HydrophobicContact CG2-CD2 3.4Å; T61-F198 HydrophobicContact CG2-CE2 4.04Å; T61-F198 HydrophobicContact CG2-CG 4.31Å |
| 62 | F | 94.8 | Very high | 93.2 | Very high | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -107.9 | 7.5 | -174 | -57.7 | -65.1 | 0 | 0 | 0 | 113.5 | L58 M64 L94 F97 L98 P190 F198 | L58-F62 HydrophobicContact CD2-CD2 4.06Å; L58-F62 CarbonylContact O-C 3.2Å; L58-F62 WeakPolarHBondContact O-CA 3.34Å; L58-F62 WeakPolarHBondContact O-CB 3.42Å; L58-F62 PolarHBondContact O-N 2.87Å; L58-F62 VanDerWaalsContact O-N 3.07Å; F62-M64 HydrophobicContact CB-CG 4.08Å; F62-M64 PolarHBondContact O-N 2.82Å; F62-L94 HydrophobicContact CE2-CD2 4.45Å; F62-L94 HydrophobicContact CZ-CD2 4.18Å; F62-F97 HydrophobicContact CD1-CE1 4.24Å; F62-F97 AromaticContact CD2-CE1 3.79Å; F62-F97 HydrophobicContact CD2-CE1 3.79Å; F62-F97 HydrophobicContact CE1-CE1 4.34Å; F62-F97 HydrophobicContact CE2-CD1 4.33Å; F62-F97 AromaticContact CE2-CE1 3.9Å; F62-F97 HydrophobicContact CE2-CE1 3.9Å; F62-F97 AromaticContact CG-CE1 3.97Å; F62-F97 HydrophobicContact CG-CE1 3.97Å; F62-F97 HydrophobicContact CZ-CD1 4.31Å; F62-F97 HydrophobicContact CZ-CE1 4.18Å; F62-L98 HydrophobicContact CE1-CD2 3.81Å; F62-L98 HydrophobicContact CZ-CD2 4.12Å; F62-P190 HydrophobicContact CB-CB 4.37Å; F62-P190 HydrophobicContact CD1-CB 3.58Å; F62-P190 HydrophobicContact CD1-CG 4.49Å; F62-P190 HydrophobicContact CE1-CB 4.15Å; F62-P190 HydrophobicContact CG-CB 4.17Å; F62-F198 HydrophobicContact CE1-CB 3.97Å; F62-F198 HydrophobicContact CE1-CD2 4.2Å; F62-F198 AromaticContact CE1-CG 4Å; F62-F198 HydrophobicContact CE1-CG 4Å; F62-F198 HydrophobicContact CZ-CB 4.48Å; F62-F198 HydrophobicContact CZ-CD1 4.45Å; F62-F198 AromaticContact CZ-CD2 3.91Å; F62-F198 HydrophobicContact CZ-CD2 3.91Å; F62-F198 HydrophobicContact CZ-CE2 4.15Å; F62-F198 HydrophobicContact CZ-CG 4.02Å |
| 63 | R | 93.1 | Very high | 93.4 | Very high | 161 Ų | 161 | 43.8 Ų | 43.8 | 61% | 0.608 | 22% | 0.218 | S | C | * | . | trans | 56.4 | 23.7 | 176.1 | -51.4 | -57.5 | -178.6 | -178.4 | -3.2 | 114 | L58 H59 V60 | L58-R63 PolarHBondContact O-N 2.99Å; H59-R63 VanDerWaalsContact O-CA 3.25Å; H59-R63 WeakPolarHBondContact O-CA 3.18Å; H59-R63 PolarHBondContact O-N 3.3Å; V60-R63 PolarHBondContact O-NH1 3.37Å | ||
| 64 | M | 92.4 | Very high | 93.6 | Very high | 14 Ų | 14 | 42.9 Ų | 42.9 | 7% | 0.069 | 21% | 0.211 | C | C | . | . | trans | -71.3 | 137.8 | 176.1 | -57.3 | -169.3 | 84.6 | 0 | 0 | 109.9 | L58 H59 F62 I69 M70 V73 F97 P187 | L58-M64 HydrophobicContact CB-CB 4.25Å; L58-M64 HydrophobicContact CB-CG 4.41Å; L58-M64 HydrophobicContact CB-SD 4.07Å; L58-M64 HydrophobicContact CD1-SD 4.29Å; L58-M64 HydrophobicContact CD2-SD 4.02Å; L58-M64 HydrophobicContact CG-SD 4.35Å; L58-M64 PolarHBondContact O-N 3.08Å; H59-M64 WeakPolarHBondContact CA-O 3.46Å; H59-M64 PolarHBondContact ND1-O 3.09Å; F62-M64 HydrophobicContact CB-CG 4.08Å; F62-M64 PolarHBondContact O-N 2.82Å; M64-I69 HydrophobicContact CE-CG2 3.41Å; M64-I69 VanDerWaalsContact CE-CG2 3.41Å; M64-M70 HydrophobicContact CB-CG 3.66Å; M64-M70 HydrophobicContact CB-SD 3.78Å; M64-M70 HydrophobicContact SD-CG 4.48Å; M64-V73 HydrophobicContact CE-CG2 4.05Å; M64-F97 HydrophobicContact SD-CZ 4.12Å; M64-P187 WeakPolarHBondContact CE-O 3.35Å | ||
| 65 | T | 89.8 | Confident | 93.5 | Very high | 75 Ų | 75 | 48 Ų | 48 | 46% | 0.46 | 23% | 0.23 | S | C | . | . | trans | -139.1 | -0.5 | -172.1 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | K136 | T65-K136 VanDerWaalsContact CB-NZ 3.28Å; T65-K136 PolarHBondContact O-NZ 3.01Å; T65-K136 PolarHBondContact OG1-NZ 2.93Å | ||
| 66 | D | 90 | Very high | 93.5 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 10% | 0.096 | 22% | 0.223 | C | C | . | . | trans | -93.5 | 118.8 | 172 | -176.4 | -56 | 0 | 0 | 0 | 108.4 | M68 I69 M70 N132 S133 | D66-M68 VanDerWaalsContact C-N 3.34Å; D66-M68 WeakPolarHBondContact OD1-CA 3.37Å; D66-M68 VanDerWaalsContact OD1-CB 3.31Å; D66-M68 WeakPolarHBondContact OD1-CB 3.36Å; D66-M68 PolarHBondContact OD1-N 3.2Å; D66-I69 HydrophobicContact CB-CB 3.91Å; D66-I69 HydrophobicContact CB-CG1 3.84Å; D66-I69 PolarHBondContact OD1-N 3Å; D66-M70 WeakPolarHBondContact O-CB 3.31Å; D66-M70 WeakPolarHBondContact O-CE 3.45Å; D66-M70 VanDerWaalsContact O-CG 3.3Å; D66-M70 WeakPolarHBondContact O-CG 3.4Å; D66-M70 PolarHBondContact O-N 3Å; D66-N132 VanDerWaalsContact OD2-CB 3.3Å; D66-N132 WeakPolarHBondContact OD2-CB 3.34Å; D66-S133 PolarHBondContact OD2-N 3.46Å | ||
| 67 | D | 89.9 | Confident | 93.6 | Very high | 91 Ų | 91 | 40.4 Ų | 40.4 | 49% | 0.487 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -69 | -34.7 | -174.8 | -76.4 | -12.4 | 0 | 0 | 0 | 112.9 | R55 M70 D71 | R55-D67 IonicContact CZ-OD1 2.69Å; R55-D67 IonicContact NE-OD1 3.94Å; R55-D67 PolarHBondContact NE-OD1 2.62Å; R55-D67 IonicContact NH2-OD1 3.33Å; R55-D67 PolarHBondContact NH2-OD1 2.99Å; R55-D67 IonicContact NH2-OD2 2.62Å; R55-D67 PolarHBondContact NH2-OD2 3.34Å; R55-D67 VanDerWaalsContact NH2-OD2 3.15Å; D67-M70 WeakPolarHBondContact OD1-CE 3.25Å; D67-D71 WeakPolarHBondContact O-CB 3.35Å; D67-D71 PolarHBondContact O-N 3.01Å |
| 68 | M | 90.3 | Very high | 93.6 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 19% | 0.192 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.8 | -49.1 | 177.5 | -176.6 | -177.8 | -175.4 | 0 | 0 | 109.6 | D66 M70 D71 R72 L115 H128 M129 N132 | D66-M68 VanDerWaalsContact C-N 3.34Å; D66-M68 WeakPolarHBondContact OD1-CA 3.37Å; D66-M68 VanDerWaalsContact OD1-CB 3.31Å; D66-M68 WeakPolarHBondContact OD1-CB 3.36Å; D66-M68 PolarHBondContact OD1-N 3.2Å; M68-M70 PolarHBondContact O-N 3.03Å; M68-D71 WeakPolarHBondContact O-CB 3.16Å; M68-D71 PolarHBondContact O-N 3.02Å; M68-R72 WeakPolarHBondContact O-CG 3.17Å; M68-R72 PolarHBondContact O-N 3.07Å; M68-L115 HydrophobicContact CE-CD1 3.16Å; M68-L115 HydrophobicContact CE-CD2 3.68Å; M68-L115 HydrophobicContact CE-CG 4.07Å; M68-H128 HydrophobicContact CE-CB 4.06Å; M68-M129 HydrophobicContact CE-CG 4Å; M68-M129 HydrophobicContact CE-SD 3.23Å; M68-M129 WeakPolarHBondContact CE-SD 3.19Å; M68-M129 HydrophobicContact CG-SD 4.05Å; M68-M129 HydrophobicContact SD-SD 3.54Å; M68-N132 PolarHBondContact SD-ND2 3.35Å |
| 69 | I | 93.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.7 | -47.6 | 175.9 | -66.7 | -81.9 | 0 | 0 | 0 | 110.7 | M64 D66 D71 R72 V73 M129 P187 C188 | M64-I69 HydrophobicContact CE-CG2 3.41Å; M64-I69 VanDerWaalsContact CE-CG2 3.41Å; D66-I69 HydrophobicContact CB-CB 3.91Å; D66-I69 HydrophobicContact CB-CG1 3.84Å; D66-I69 PolarHBondContact OD1-N 3Å; I69-D71 VanDerWaalsContact C-N 3.27Å; I69-D71 PolarHBondContact O-N 3.47Å; I69-R72 PolarHBondContact O-N 3.15Å; I69-R72 VanDerWaalsContact O-N 3.09Å; I69-V73 HydrophobicContact CG2-CG2 4.15Å; I69-V73 WeakPolarHBondContact O-CG2 3.19Å; I69-V73 PolarHBondContact O-N 3.17Å; I69-M129 HydrophobicContact CD1-CE 3.26Å; I69-M129 HydrophobicContact CG1-CE 4.14Å; I69-P187 WeakPolarHBondContact CG2-O 3.5Å; I69-C188 HydrophobicContact CD1-CB 4.25Å; I69-C188 HydrophobicContact CG2-CB 3.94Å |
| 70 | M | 94.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.9 | -35.3 | 179.7 | -74.9 | -172.6 | -67.8 | 0 | 0 | 112.1 | R55 L58 H59 M64 D66 D67 M68 F74 | R55-M70 HydrophobicContact CG-CB 4.25Å; R55-M70 HydrophobicContact CG-CE 3.96Å; R55-M70 HydrophobicContact CG-SD 3.84Å; L58-M70 HydrophobicContact CB-CG 4.09Å; L58-M70 HydrophobicContact CB-SD 3.98Å; L58-M70 HydrophobicContact CD1-CB 3.91Å; L58-M70 HydrophobicContact CD1-CG 3.91Å; H59-M70 HydrophobicContact CB-SD 4.24Å; M64-M70 HydrophobicContact CB-CG 3.66Å; M64-M70 HydrophobicContact CB-SD 3.78Å; M64-M70 HydrophobicContact SD-CG 4.48Å; D66-M70 WeakPolarHBondContact O-CB 3.31Å; D66-M70 WeakPolarHBondContact O-CE 3.45Å; D66-M70 VanDerWaalsContact O-CG 3.3Å; D66-M70 WeakPolarHBondContact O-CG 3.4Å; D66-M70 PolarHBondContact O-N 3Å; D67-M70 WeakPolarHBondContact OD1-CE 3.25Å; M68-M70 PolarHBondContact O-N 3.03Å; M70-F74 WeakPolarHBondContact O-CB 3.47Å; M70-F74 PolarHBondContact O-N 2.81Å |
| 71 | D | 93.9 | Very high | 93.2 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 21% | 0.214 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 172.3 | -163.6 | 73.5 | 0 | 0 | 0 | 111.9 | R51 D67 M68 I69 F74 R75 | R51-D71 WeakPolarHBondContact CD-OD1 3.24Å; R51-D71 IonicContact CZ-OD1 2.73Å; R51-D71 VanDerWaalsContact CZ-OD1 3.31Å; R51-D71 IonicContact NE-OD1 2.77Å; R51-D71 IonicContact NH1-OD1 3.48Å; R51-D71 PolarHBondContact NH1-OD1 3.17Å; R51-D71 IonicContact NH1-OD2 2.99Å; R51-D71 PolarHBondContact NH1-OD2 2.94Å; D67-D71 WeakPolarHBondContact O-CB 3.35Å; D67-D71 PolarHBondContact O-N 3.01Å; M68-D71 WeakPolarHBondContact O-CB 3.16Å; M68-D71 PolarHBondContact O-N 3.02Å; I69-D71 VanDerWaalsContact C-N 3.27Å; I69-D71 PolarHBondContact O-N 3.47Å; D71-F74 WeakPolarHBondContact O-CB 3.3Å; D71-F74 PolarHBondContact O-N 3.39Å; D71-R75 WeakPolarHBondContact O-CG 3.47Å; D71-R75 PolarHBondContact O-N 3.48Å; D71-R75 VanDerWaalsContact O-N 3.08Å; D71-R75 IonicContact OD2-CZ 2.74Å; D71-R75 IonicContact OD2-NE 3.4Å; D71-R75 PolarHBondContact OD2-NE 2.94Å; D71-R75 IonicContact OD2-NH2 3.44Å; D71-R75 PolarHBondContact OD2-NH2 2.98Å; D71-R75 VanDerWaalsContact OD2-NH2 3.12Å |
| 72 | R | 94.3 | Very high | 93.2 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.9 | -40.9 | 179.2 | -63.7 | -56.5 | -61.7 | -173.5 | 2.4 | 112.2 | M68 I69 F74 R75 G76 E111 V112 D114 L115 | M68-R72 WeakPolarHBondContact O-CG 3.17Å; M68-R72 PolarHBondContact O-N 3.07Å; I69-R72 PolarHBondContact O-N 3.15Å; I69-R72 VanDerWaalsContact O-N 3.09Å; R72-F74 VanDerWaalsContact C-N 3.3Å; R72-F74 PolarHBondContact O-N 2.99Å; R72-R75 PolarHBondContact O-N 3Å; R72-R75 VanDerWaalsContact O-N 3.17Å; R72-G76 PolarHBondContact O-N 2.94Å; R72-E111 PolarHBondContact NH2-O 3.5Å; R72-V112 HydrophobicContact CB-CB 4.35Å; R72-V112 HydrophobicContact CB-CG1 3.75Å; R72-V112 HydrophobicContact CB-CG2 4.41Å; R72-V112 HydrophobicContact CG-CG1 4.49Å; R72-V112 WeakPolarHBondContact CG-O 3.48Å; R72-V112 PolarHBondContact NE-O 3.33Å; R72-D114 PolarHBondContact NH2-O 3.38Å; R72-L115 HydrophobicContact CG-CD2 4.23Å; R72-L115 PolarHBondContact NH1-O 2.88Å |
| 73 | V | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 173.1 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | F54 L58 M64 I69 R75 G76 F77 F97 Y108 C188 | F54-V73 HydrophobicContact CE1-CG1 4.2Å; L58-V73 HydrophobicContact CD1-CB 3.99Å; L58-V73 HydrophobicContact CD1-CG1 3.65Å; L58-V73 HydrophobicContact CD2-CG1 3.81Å; L58-V73 HydrophobicContact CG-CG1 4.39Å; M64-V73 HydrophobicContact CE-CG2 4.05Å; I69-V73 HydrophobicContact CG2-CG2 4.15Å; I69-V73 WeakPolarHBondContact O-CG2 3.19Å; I69-V73 PolarHBondContact O-N 3.17Å; V73-R75 PolarHBondContact O-N 3.47Å; V73-G76 PolarHBondContact O-N 3.24Å; V73-F77 HydrophobicContact CG1-CD2 4.37Å; V73-F77 HydrophobicContact CG1-CE2 4.25Å; V73-F77 WeakPolarHBondContact O-CD2 3.46Å; V73-F77 PolarHBondContact O-N 3.25Å; V73-F97 HydrophobicContact CG1-CE2 3.87Å; V73-F97 HydrophobicContact CG1-CZ 4.23Å; V73-F97 HydrophobicContact CG2-CE2 4.49Å; V73-Y108 WeakPolarHBondContact CA-OH 3.47Å; V73-Y108 WeakPolarHBondContact CG1-OH 3.26Å; V73-C188 HydrophobicContact CG2-CB 4.18Å; V73-C188 WeakPolarHBondContact CG2-O 3.42Å |
| 74 | F | 96.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.4 | -48.4 | 172.4 | 173.6 | -91.8 | 0 | 0 | 0 | 111.9 | R51 F54 M70 D71 R72 G76 F77 D78 G83 V85 | R51-F74 HydrophobicContact CB-CD1 4.49Å; R51-F74 HydrophobicContact CB-CD2 4.43Å; R51-F74 HydrophobicContact CB-CE1 4.27Å; R51-F74 HydrophobicContact CB-CE2 4.16Å; R51-F74 HydrophobicContact CB-CZ 4.09Å; R51-F74 HydrophobicContact CG-CD1 4.2Å; R51-F74 HydrophobicContact CG-CD2 4.48Å; R51-F74 HydrophobicContact CG-CE1 4.44Å; R51-F74 HydrophobicContact CG-CG 4.24Å; F54-F74 HydrophobicContact CB-CD2 3.73Å; F54-F74 HydrophobicContact CB-CE2 4.13Å; F54-F74 HydrophobicContact CD1-CB 3.94Å; F54-F74 AromaticContact CD1-CD2 3.65Å; F54-F74 HydrophobicContact CD1-CD2 3.65Å; F54-F74 HydrophobicContact CD1-CG 4.3Å; F54-F74 HydrophobicContact CE1-CB 4.32Å; F54-F74 HydrophobicContact CE1-CD2 4.48Å; F54-F74 AromaticContact CG-CD2 3.85Å; F54-F74 HydrophobicContact CG-CD2 3.85Å; M70-F74 WeakPolarHBondContact O-CB 3.47Å; M70-F74 PolarHBondContact O-N 2.81Å; D71-F74 WeakPolarHBondContact O-CB 3.3Å; D71-F74 PolarHBondContact O-N 3.39Å; R72-F74 VanDerWaalsContact C-N 3.3Å; R72-F74 PolarHBondContact O-N 2.99Å; F74-G76 VanDerWaalsContact C-N 3.29Å; F74-G76 PolarHBondContact O-N 3.1Å; F74-F77 WeakPolarHBondContact O-CB 3.4Å; F74-F77 PolarHBondContact O-N 2.97Å; F74-D78 HydrophobicContact CD1-CB 4.45Å; F74-D78 HydrophobicContact CE1-CB 3.94Å; F74-D78 HydrophobicContact CZ-CB 4.11Å; F74-D78 WeakPolarHBondContact O-CB 3.49Å; F74-D78 PolarHBondContact O-N 3.27Å; F74-G83 WeakPolarHBondContact CZ-O 3.4Å; F74-V85 HydrophobicContact CD2-CG2 3.98Å; F74-V85 HydrophobicContact CE2-CG2 3.74Å; F74-V85 HydrophobicContact CZ-CG2 4.49Å |
| 75 | R | 94.4 | Very high | 93.2 | Very high | 111 Ų | 111 | 43.7 Ų | 43.7 | 42% | 0.419 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.8 | -34.4 | 177.3 | -66.3 | 177.3 | -166.7 | -144.6 | 3.1 | 113 | D71 R72 V73 F77 | D71-R75 WeakPolarHBondContact O-CG 3.47Å; D71-R75 PolarHBondContact O-N 3.48Å; D71-R75 VanDerWaalsContact O-N 3.08Å; D71-R75 IonicContact OD2-CZ 2.74Å; D71-R75 IonicContact OD2-NE 3.4Å; D71-R75 PolarHBondContact OD2-NE 2.94Å; D71-R75 IonicContact OD2-NH2 3.44Å; D71-R75 PolarHBondContact OD2-NH2 2.98Å; D71-R75 VanDerWaalsContact OD2-NH2 3.12Å; R72-R75 PolarHBondContact O-N 3Å; R72-R75 VanDerWaalsContact O-N 3.17Å; V73-R75 PolarHBondContact O-N 3.47Å; R75-F77 PolarHBondContact O-N 3.22Å |
| 76 | G | 93.8 | Very high | 93.4 | Very high | 19 Ų | 19 | 42 Ų | 42 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.5 | -24.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R72 V73 F74 | R72-G76 PolarHBondContact O-N 2.94Å; V73-G76 PolarHBondContact O-N 3.24Å; F74-G76 VanDerWaalsContact C-N 3.29Å; F74-G76 PolarHBondContact O-N 3.1Å |
| 77 | F | 96.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -86 | -43 | 173.6 | -84.6 | -119.5 | 0 | 0 | 0 | 112.3 | F54 V73 F74 R75 R79 V85 E89 G93 L94 F97 | F54-F77 HydrophobicContact CE1-CD2 4.45Å; F54-F77 HydrophobicContact CE1-CG 4.29Å; F54-F77 AromaticContact CE2-CD1 3.78Å; F54-F77 HydrophobicContact CE2-CD1 3.78Å; F54-F77 HydrophobicContact CE2-CE1 4.11Å; F54-F77 HydrophobicContact CE2-CG 4.22Å; F54-F77 HydrophobicContact CZ-CB 4.07Å; F54-F77 AromaticContact CZ-CD1 3.51Å; F54-F77 HydrophobicContact CZ-CD1 3.51Å; F54-F77 AromaticContact CZ-CD2 3.93Å; F54-F77 HydrophobicContact CZ-CD2 3.93Å; F54-F77 AromaticContact CZ-CE1 3.79Å; F54-F77 HydrophobicContact CZ-CE1 3.79Å; F54-F77 HydrophobicContact CZ-CE2 4.2Å; F54-F77 AromaticContact CZ-CG 3.57Å; F54-F77 HydrophobicContact CZ-CG 3.57Å; F54-F77 HydrophobicContact CZ-CZ 4.13Å; V73-F77 HydrophobicContact CG1-CD2 4.37Å; V73-F77 HydrophobicContact CG1-CE2 4.25Å; V73-F77 WeakPolarHBondContact O-CD2 3.46Å; V73-F77 PolarHBondContact O-N 3.25Å; F74-F77 WeakPolarHBondContact O-CB 3.4Å; F74-F77 PolarHBondContact O-N 2.97Å; R75-F77 PolarHBondContact O-N 3.22Å; F77-R79 PolarHBondContact O-N 3.33Å; F77-R79 VanDerWaalsContact O-N 3.09Å; F77-V85 HydrophobicContact CB-CG1 4.32Å; F77-V85 HydrophobicContact CB-CG2 3.75Å; F77-V85 HydrophobicContact CD1-CG1 4.31Å; F77-E89 VanDerWaalsContact O-CB 3.27Å; F77-E89 WeakPolarHBondContact O-CB 3.45Å; F77-E89 WeakPolarHBondContact O-CG 3.42Å; F77-G93 VanDerWaalsContact CE1-C 3.48Å; F77-L94 HydrophobicContact CE1-CD2 4.31Å; F77-L94 HydrophobicContact CE1-CG 4.17Å; F77-L94 HydrophobicContact CZ-CD2 4.32Å; F77-F97 HydrophobicContact CE2-CB 4.2Å; F77-F97 AromaticContact CE2-CD2 3.96Å; F77-F97 HydrophobicContact CE2-CD2 3.96Å; F77-F97 HydrophobicContact CE2-CG 4.13Å; F77-F97 HydrophobicContact CZ-CB 3.84Å; F77-F97 HydrophobicContact CZ-CD1 4.43Å; F77-F97 HydrophobicContact CZ-CD2 4.27Å; F77-F97 AromaticContact CZ-CG 3.96Å; F77-F97 HydrophobicContact CZ-CG 3.96Å |
| 78 | D | 95.5 | Very high | 93.8 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | trans | -76.5 | 82.8 | 178.5 | 178.7 | 12 | 0 | 0 | 0 | 111.1 | F74 N81 D82 G83 | F74-D78 HydrophobicContact CD1-CB 4.45Å; F74-D78 HydrophobicContact CE1-CB 3.94Å; F74-D78 HydrophobicContact CZ-CB 4.11Å; F74-D78 WeakPolarHBondContact O-CB 3.49Å; F74-D78 PolarHBondContact O-N 3.27Å; D78-N81 WeakPolarHBondContact OD1-CA 3.44Å; D78-N81 PolarHBondContact OD1-N 3.22Å; D78-D82 PolarHBondContact OD1-N 3.02Å; D78-D82 VanDerWaalsContact OD1-N 3.14Å; D78-G83 VanDerWaalsContact OD2-CA 3.26Å; D78-G83 WeakPolarHBondContact OD2-CA 3.47Å; D78-G83 PolarHBondContact OD2-N 3.13Å | ||
| 79 | R | 91.3 | Very high | 94.1 | Very high | 129 Ų | 129 | 38.1 Ų | 38.1 | 49% | 0.487 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -81.6 | -30 | -171 | -69 | -175.2 | -178.2 | 165.3 | 5.1 | 112.9 | F77 N81 E89 | F77-R79 PolarHBondContact O-N 3.33Å; F77-R79 VanDerWaalsContact O-N 3.09Å; R79-N81 VanDerWaalsContact C-N 3.29Å; R79-E89 PolarHBondContact N-OE1 3.35Å |
| 80 | D | 92.8 | Very high | 94.2 | Very high | 89 Ų | 89 | 38.1 Ų | 38.1 | 48% | 0.476 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -85.6 | -5 | 174.7 | 65.2 | 22.7 | 0 | 0 | 0 | 113.1 | D82 E89 | D80-D82 PolarHBondContact O-N 3.03Å; D80-D82 WeakPolarHBondContact OD1-CB 3.33Å; D80-D82 VanDerWaalsContact OD1-CG 3.27Å; D80-D82 PolarHBondContact OD1-N 3.07Å; D80-D82 VanDerWaalsContact OD1-N 3.17Å; D80-E89 PolarHBondContact N-OE1 3.43Å |
| 81 | N | 92.1 | Very high | 94.3 | Very high | 121 Ų | 121 | 38 Ų | 38 | 65% | 0.647 | 20% | 0.199 | S | C | * | . | trans | 57.7 | 33.7 | 178.5 | -62.6 | -81.3 | 0 | 0 | 0 | 112.4 | D78 R79 G83 | D78-N81 WeakPolarHBondContact OD1-CA 3.44Å; D78-N81 PolarHBondContact OD1-N 3.22Å; R79-N81 VanDerWaalsContact C-N 3.29Å; N81-G83 PolarHBondContact O-N 3.28Å | ||
| 82 | D | 92.7 | Very high | 94.3 | Very high | 99 Ų | 99 | 38.3 Ų | 38.3 | 53% | 0.529 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -80.4 | -5.1 | 176.3 | 85.2 | 0.6 | 0 | 0 | 0 | 112.9 | D78 D80 C84 | D78-D82 PolarHBondContact OD1-N 3.02Å; D78-D82 VanDerWaalsContact OD1-N 3.14Å; D80-D82 PolarHBondContact O-N 3.03Å; D80-D82 WeakPolarHBondContact OD1-CB 3.33Å; D80-D82 VanDerWaalsContact OD1-CG 3.27Å; D80-D82 PolarHBondContact OD1-N 3.07Å; D80-D82 VanDerWaalsContact OD1-N 3.17Å; D82-C84 WeakPolarHBondContact OD1-CA 3.37Å; D82-C84 WeakPolarHBondContact OD1-CB 3.28Å; D82-C84 PolarHBondContact OD1-N 2.92Å |
| 83 | G | 91.9 | Very high | 94.4 | Very high | 31 Ų | 31 | 37.2 Ų | 37.2 | 32% | 0.32 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 86.2 | 9.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F74 D78 N81 | F74-G83 WeakPolarHBondContact CZ-O 3.4Å; D78-G83 VanDerWaalsContact OD2-CA 3.26Å; D78-G83 WeakPolarHBondContact OD2-CA 3.47Å; D78-G83 PolarHBondContact OD2-N 3.13Å; N81-G83 PolarHBondContact O-N 3.28Å |
| 84 | C | 93.1 | Very high | 94.5 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 9% | 0.088 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 136.6 | 177.6 | -75.1 | 0 | 0 | 0 | 0 | 111.9 | V46 L49 D82 N86 | V46-C84 HydrophobicContact CG1-CB 4.14Å; V46-C84 VanDerWaalsContact CG1-SG 3.58Å; L49-C84 CarbonylContact O-C 3.52Å; L49-C84 WeakPolarHBondContact O-CA 3.29Å; D82-C84 WeakPolarHBondContact OD1-CA 3.37Å; D82-C84 WeakPolarHBondContact OD1-CB 3.28Å; D82-C84 PolarHBondContact OD1-N 2.92Å; C84-N86 PolarHBondContact O-N 3.45Å |
| 85 | V | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 114 | 171.6 | 178.8 | 0 | 0 | 0 | 0 | 109 | F32 L49 F54 F74 F77 E89 W90 | F32-V85 VanDerWaalsContact CE2-O 3.3Å; F32-V85 WeakPolarHBondContact CE2-O 3.46Å; L49-V85 HydrophobicContact CB-CB 4.32Å; L49-V85 PolarHBondContact N-O 3Å; L49-V85 PolarHBondContact O-N 3.38Å; F54-V85 HydrophobicContact CD2-CB 4.35Å; F54-V85 HydrophobicContact CD2-CG2 3.99Å; F54-V85 HydrophobicContact CE2-CG1 4.46Å; F54-V85 HydrophobicContact CE2-CG2 4.19Å; F54-V85 HydrophobicContact CG-CG2 4.28Å; F74-V85 HydrophobicContact CD2-CG2 3.98Å; F74-V85 HydrophobicContact CE2-CG2 3.74Å; F74-V85 HydrophobicContact CZ-CG2 4.49Å; F77-V85 HydrophobicContact CB-CG1 4.32Å; F77-V85 HydrophobicContact CB-CG2 3.75Å; F77-V85 HydrophobicContact CD1-CG1 4.31Å; V85-E89 WeakPolarHBondContact CA-OE2 3.33Å; V85-E89 HydrophobicContact CG1-CB 3.88Å; V85-W90 HydrophobicContact CG1-CB 4.07Å |
| 86 | N | 93.8 | Very high | 94.5 | Very high | 39 Ų | 39 | 33.4 Ų | 33.4 | 21% | 0.209 | 19% | 0.185 | C | C | . | . | trans | -83.5 | 172.4 | 174.6 | 72.1 | 55.8 | 0 | 0 | 0 | 112 | C84 S88 E89 W90 | C84-N86 PolarHBondContact O-N 3.45Å; N86-S88 VanDerWaalsContact C-N 3.25Å; N86-S88 PolarHBondContact O-N 2.86Å; N86-S88 WeakPolarHBondContact OD1-CA 3.37Å; N86-S88 VanDerWaalsContact OD1-CB 3.29Å; N86-S88 WeakPolarHBondContact OD1-CB 3.01Å; N86-S88 PolarHBondContact OD1-N 3.04Å; N86-E89 VanDerWaalsContact CG-OE2 3.24Å; N86-E89 PolarHBondContact N-OE2 3.48Å; N86-E89 VanDerWaalsContact ND2-CD 3.27Å; N86-E89 PolarHBondContact ND2-OE2 3.49Å; N86-E89 PolarHBondContact O-N 3.2Å; N86-E89 PolarHBondContact OD1-N 3.32Å; N86-W90 WeakPolarHBondContact O-CB 3.26Å; N86-W90 PolarHBondContact O-N 2.9Å | ||
| 87 | V | 93.7 | Very high | 94.6 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 12% | 0.115 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.8 | -30.8 | -175.6 | 68 | 0 | 0 | 0 | 0 | 113.4 | L9 L13 I29 F32 Y33 V91 | L9-V87 HydrophobicContact CD1-CG1 4.39Å; L9-V87 HydrophobicContact CD2-CG1 4.09Å; L9-V87 HydrophobicContact CD2-CG2 4.4Å; L13-V87 HydrophobicContact CD1-CG2 4.37Å; I29-V87 HydrophobicContact CB-CG2 4.42Å; I29-V87 HydrophobicContact CG1-CG2 4.02Å; I29-V87 HydrophobicContact CG2-CG2 4.22Å; F32-V87 HydrophobicContact CB-CG2 4.35Å; F32-V87 HydrophobicContact CD1-CB 3.69Å; F32-V87 HydrophobicContact CD1-CG2 3.79Å; F32-V87 HydrophobicContact CE1-CB 3.66Å; F32-V87 HydrophobicContact CE1-CG2 4.29Å; F32-V87 HydrophobicContact CG-CB 4.19Å; F32-V87 HydrophobicContact CG-CG2 4.07Å; F32-V87 HydrophobicContact CZ-CB 4.13Å; F32-V87 VanDerWaalsContact CZ-N 3.35Å; Y33-V87 HydrophobicContact CE2-CG2 4.39Å; V87-V91 WeakPolarHBondContact O-CG2 3.39Å; V87-V91 PolarHBondContact O-N 3.37Å |
| 88 | S | 93.6 | Very high | 94.6 | Very high | 37 Ų | 37 | 32.5 Ų | 32.5 | 26% | 0.259 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -72.5 | -45.7 | 178.9 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | N86 V91 Q92 | N86-S88 VanDerWaalsContact C-N 3.25Å; N86-S88 PolarHBondContact O-N 2.86Å; N86-S88 WeakPolarHBondContact OD1-CA 3.37Å; N86-S88 VanDerWaalsContact OD1-CB 3.29Å; N86-S88 WeakPolarHBondContact OD1-CB 3.01Å; N86-S88 PolarHBondContact OD1-N 3.04Å; S88-V91 PolarHBondContact O-N 3.23Å; S88-Q92 WeakPolarHBondContact O-CB 3.11Å; S88-Q92 VanDerWaalsContact O-CG 3.25Å; S88-Q92 WeakPolarHBondContact O-CG 3.03Å; S88-Q92 PolarHBondContact O-N 3.43Å; S88-Q92 PolarHBondContact OG-NE2 3.32Å |
| 89 | E | 96.1 | Very high | 94.7 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -41.2 | 175.2 | -73.1 | 171.6 | 152.7 | 0 | 0 | 112.4 | F77 R79 D80 V85 N86 V91 Q92 G93 | F77-E89 VanDerWaalsContact O-CB 3.27Å; F77-E89 WeakPolarHBondContact O-CB 3.45Å; F77-E89 WeakPolarHBondContact O-CG 3.42Å; R79-E89 PolarHBondContact N-OE1 3.35Å; D80-E89 PolarHBondContact N-OE1 3.43Å; V85-E89 WeakPolarHBondContact CA-OE2 3.33Å; V85-E89 HydrophobicContact CG1-CB 3.88Å; N86-E89 VanDerWaalsContact CG-OE2 3.24Å; N86-E89 PolarHBondContact N-OE2 3.48Å; N86-E89 VanDerWaalsContact ND2-CD 3.27Å; N86-E89 PolarHBondContact ND2-OE2 3.49Å; N86-E89 PolarHBondContact O-N 3.2Å; N86-E89 PolarHBondContact OD1-N 3.32Å; E89-V91 PolarHBondContact O-N 2.94Å; E89-Q92 PolarHBondContact O-N 3.26Å; E89-G93 WeakPolarHBondContact O-CA 3.36Å; E89-G93 PolarHBondContact O-N 3.27Å |
| 90 | W | 96.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.5 | -52.2 | 174.1 | 173.5 | -100 | 0 | 0 | 0 | 112.3 | L28 L31 F32 L35 L49 F54 I57 V85 N86 L94 | L28-W90 PolarHBondContact O-NE1 3.15Å; L31-W90 HydrophobicContact CD2-CZ2 3.88Å; L31-W90 HydrophobicContact CG-CZ2 4.16Å; F32-W90 HydrophobicContact CB-CG 4.2Å; F32-W90 HydrophobicContact CD2-CB 3.66Å; F32-W90 HydrophobicContact CD2-CD2 4.01Å; F32-W90 AromaticContact CD2-CG 3.63Å; F32-W90 HydrophobicContact CD2-CG 3.63Å; F32-W90 HydrophobicContact CE2-CB 4.08Å; F32-W90 HydrophobicContact CE2-CG 4.47Å; F32-W90 HydrophobicContact CG-CG 4.31Å; L35-W90 HydrophobicContact CD1-CH2 3.82Å; L35-W90 HydrophobicContact CD1-CZ2 3.93Å; L49-W90 HydrophobicContact CD1-CD2 4.44Å; L49-W90 HydrophobicContact CD1-CE3 3.67Å; L49-W90 HydrophobicContact CD1-CZ3 3.75Å; F54-W90 HydrophobicContact CD2-CE3 4.45Å; F54-W90 HydrophobicContact CD2-CZ3 4.19Å; F54-W90 AromaticContact CE2-CE3 3.98Å; F54-W90 HydrophobicContact CE2-CE3 3.98Å; F54-W90 AromaticContact CE2-CZ3 3.81Å; F54-W90 HydrophobicContact CE2-CZ3 3.81Å; I57-W90 HydrophobicContact CD1-CH2 4.43Å; I57-W90 HydrophobicContact CD1-CZ3 4.28Å; I57-W90 HydrophobicContact CG2-CH2 4.12Å; I57-W90 HydrophobicContact CG2-CZ3 4.38Å; V85-W90 HydrophobicContact CG1-CB 4.07Å; N86-W90 WeakPolarHBondContact O-CB 3.26Å; N86-W90 PolarHBondContact O-N 2.9Å; W90-L94 HydrophobicContact CD2-CD1 3.91Å; W90-L94 HydrophobicContact CD2-CG 4.48Å; W90-L94 HydrophobicContact CE3-CD1 4.46Å; W90-L94 HydrophobicContact CG-CD1 4.41Å; W90-L94 HydrophobicContact CH2-CD1 4.11Å; W90-L94 HydrophobicContact CZ2-CD1 3.51Å; W90-L94 WeakPolarHBondContact O-CB 3.36Å; W90-L94 WeakPolarHBondContact O-CG 3.36Å; W90-L94 PolarHBondContact O-N 3.24Å |
| 91 | V | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.6 | -43.9 | -178.6 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L13 C17 V25 L28 I29 V87 S88 E89 S95 | L13-V91 HydrophobicContact CD1-CG2 4.11Å; C17-V91 HydrophobicContact CB-CG1 4.25Å; V25-V91 HydrophobicContact CG1-CG1 4.36Å; V25-V91 HydrophobicContact CG2-CG1 4.25Å; L28-V91 HydrophobicContact CB-CG2 3.99Å; L28-V91 HydrophobicContact CD1-CG1 4.4Å; I29-V91 HydrophobicContact CG1-CG2 4.17Å; V87-V91 WeakPolarHBondContact O-CG2 3.39Å; V87-V91 PolarHBondContact O-N 3.37Å; S88-V91 PolarHBondContact O-N 3.23Å; E89-V91 PolarHBondContact O-N 2.94Å; V91-S95 WeakPolarHBondContact O-CB 3.38Å; V91-S95 PolarHBondContact O-N 2.99Å |
| 92 | Q | 95.3 | Very high | 95.3 | Very high | 47 Ų | 47 | 25.5 Ų | 25.5 | 22% | 0.22 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71.1 | -40.3 | -178.2 | -68.1 | -179.2 | 41.8 | 0 | 0 | 112.4 | S88 E89 S95 L96 | S88-Q92 WeakPolarHBondContact O-CB 3.11Å; S88-Q92 VanDerWaalsContact O-CG 3.25Å; S88-Q92 WeakPolarHBondContact O-CG 3.03Å; S88-Q92 PolarHBondContact O-N 3.43Å; S88-Q92 PolarHBondContact OG-NE2 3.32Å; E89-Q92 PolarHBondContact O-N 3.26Å; Q92-S95 WeakPolarHBondContact O-CB 3.36Å; Q92-S95 PolarHBondContact O-N 2.93Å; Q92-L96 PolarHBondContact O-N 3.12Å |
| 93 | G | 95.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 7% | 0.072 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.1 | -50.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F77 E89 S95 L96 F97 | F77-G93 VanDerWaalsContact CE1-C 3.48Å; E89-G93 WeakPolarHBondContact O-CA 3.36Å; E89-G93 PolarHBondContact O-N 3.27Å; G93-S95 PolarHBondContact O-N 3.42Å; G93-L96 PolarHBondContact O-N 2.95Å; G93-L96 VanDerWaalsContact O-N 3.13Å; G93-F97 VanDerWaalsContact O-CB 3.23Å; G93-F97 WeakPolarHBondContact O-CB 3.3Å; G93-F97 PolarHBondContact O-N 3.03Å |
| 94 | L | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.4 | -30.3 | 176.1 | -74.1 | 179.5 | 0 | 0 | 0 | 113.4 | F20 L28 F62 F77 W90 L96 F97 L98 F198 | F20-L94 HydrophobicContact CE2-CB 4.19Å; L28-L94 HydrophobicContact CD1-CB 4.39Å; L28-L94 HydrophobicContact CD1-CD1 4.39Å; L28-L94 HydrophobicContact CD2-CD1 3.7Å; F62-L94 HydrophobicContact CE2-CD2 4.45Å; F62-L94 HydrophobicContact CZ-CD2 4.18Å; F77-L94 HydrophobicContact CE1-CD2 4.31Å; F77-L94 HydrophobicContact CE1-CG 4.17Å; F77-L94 HydrophobicContact CZ-CD2 4.32Å; W90-L94 HydrophobicContact CD2-CD1 3.91Å; W90-L94 HydrophobicContact CD2-CG 4.48Å; W90-L94 HydrophobicContact CE3-CD1 4.46Å; W90-L94 HydrophobicContact CG-CD1 4.41Å; W90-L94 HydrophobicContact CH2-CD1 4.11Å; W90-L94 HydrophobicContact CZ2-CD1 3.51Å; W90-L94 WeakPolarHBondContact O-CB 3.36Å; W90-L94 WeakPolarHBondContact O-CG 3.36Å; W90-L94 PolarHBondContact O-N 3.24Å; L94-L96 VanDerWaalsContact C-N 3.3Å; L94-L96 PolarHBondContact O-N 3.12Å; L94-F97 HydrophobicContact CD2-CD1 4.37Å; L94-F97 PolarHBondContact O-N 3.41Å; L94-L98 HydrophobicContact CB-CD1 4.29Å; L94-L98 HydrophobicContact CD2-CD1 4.16Å; L94-L98 HydrophobicContact CD2-CG 4.33Å; L94-L98 WeakPolarHBondContact O-CB 3.37Å; L94-L98 WeakPolarHBondContact O-CG 3.43Å; L94-L98 PolarHBondContact O-N 2.87Å; L94-F198 HydrophobicContact CD1-CE1 4.31Å; L94-F198 HydrophobicContact CD1-CZ 3.96Å |
| 95 | S | 96.7 | Very high | 96 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 4% | 0.035 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 175.9 | -173.5 | 0 | 0 | 0 | 0 | 110.9 | C17 H19 F20 V91 Q92 G93 R99 G100 | C17-S95 PolarHBondContact SG-OG 3.49Å; H19-S95 WeakPolarHBondContact CB-OG 3.11Å; H19-S95 PolarHBondContact CD2-O 2.84Å; H19-S95 VanDerWaalsContact CD2-O 3.26Å; H19-S95 PolarHBondContact CD2-OG 2.76Å; H19-S95 VanDerWaalsContact CD2-OG 3.29Å; H19-S95 PolarHBondContact N-OG 3.1Å; F20-S95 VanDerWaalsContact CE2-N 3.34Å; V91-S95 WeakPolarHBondContact O-CB 3.38Å; V91-S95 PolarHBondContact O-N 2.99Å; Q92-S95 WeakPolarHBondContact O-CB 3.36Å; Q92-S95 PolarHBondContact O-N 2.93Å; G93-S95 PolarHBondContact O-N 3.42Å; S95-R99 CarbonylContact O-C 3.56Å; S95-R99 PolarHBondContact O-N 3.45Å; S95-G100 PolarHBondContact O-N 2.81Å |
| 96 | L | 95.8 | Very high | 96.1 | Very high | 27 Ų | 27 | 26.8 Ų | 26.8 | 14% | 0.141 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -75.6 | -48.6 | 175.3 | -175.7 | 156.5 | 0 | 0 | 0 | 111.3 | Q92 G93 L94 L98 G100 E104 Y108 | Q92-L96 PolarHBondContact O-N 3.12Å; G93-L96 PolarHBondContact O-N 2.95Å; G93-L96 VanDerWaalsContact O-N 3.13Å; L94-L96 VanDerWaalsContact C-N 3.3Å; L94-L96 PolarHBondContact O-N 3.12Å; L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 3.04Å; L96-G100 VanDerWaalsContact O-CA 3.26Å; L96-G100 WeakPolarHBondContact O-CA 3.33Å; L96-G100 PolarHBondContact O-N 3.09Å; L96-E104 HydrophobicContact CD1-CB 3.98Å; L96-E104 HydrophobicContact CG-CB 4.12Å; L96-Y108 HydrophobicContact CD1-CD2 4.46Å; L96-Y108 HydrophobicContact CD1-CG 4.45Å; L96-Y108 HydrophobicContact CD2-CD1 3.93Å; L96-Y108 HydrophobicContact CD2-CD2 3.9Å; L96-Y108 HydrophobicContact CD2-CG 3.52Å |
| 97 | F | 95.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.7 | -38.8 | -172.2 | -162.1 | -113.3 | 0 | 0 | 0 | 112.4 | L58 F62 M64 V73 F77 G93 L94 Y108 C188 L189 P190 | L58-F97 HydrophobicContact CD2-CZ 4.28Å; F62-F97 HydrophobicContact CD1-CE1 4.24Å; F62-F97 AromaticContact CD2-CE1 3.79Å; F62-F97 HydrophobicContact CD2-CE1 3.79Å; F62-F97 HydrophobicContact CE1-CE1 4.34Å; F62-F97 HydrophobicContact CE2-CD1 4.33Å; F62-F97 AromaticContact CE2-CE1 3.9Å; F62-F97 HydrophobicContact CE2-CE1 3.9Å; F62-F97 AromaticContact CG-CE1 3.97Å; F62-F97 HydrophobicContact CG-CE1 3.97Å; F62-F97 HydrophobicContact CZ-CD1 4.31Å; F62-F97 HydrophobicContact CZ-CE1 4.18Å; M64-F97 HydrophobicContact SD-CZ 4.12Å; V73-F97 HydrophobicContact CG1-CE2 3.87Å; V73-F97 HydrophobicContact CG1-CZ 4.23Å; V73-F97 HydrophobicContact CG2-CE2 4.49Å; F77-F97 HydrophobicContact CE2-CB 4.2Å; F77-F97 AromaticContact CE2-CD2 3.96Å; F77-F97 HydrophobicContact CE2-CD2 3.96Å; F77-F97 HydrophobicContact CE2-CG 4.13Å; F77-F97 HydrophobicContact CZ-CB 3.84Å; F77-F97 HydrophobicContact CZ-CD1 4.43Å; F77-F97 HydrophobicContact CZ-CD2 4.27Å; F77-F97 AromaticContact CZ-CG 3.96Å; F77-F97 HydrophobicContact CZ-CG 3.96Å; G93-F97 VanDerWaalsContact O-CB 3.23Å; G93-F97 WeakPolarHBondContact O-CB 3.3Å; G93-F97 PolarHBondContact O-N 3.03Å; L94-F97 HydrophobicContact CD2-CD1 4.37Å; L94-F97 PolarHBondContact O-N 3.41Å; F97-Y108 HydrophobicContact CD2-CE1 4.35Å; F97-C188 VanDerWaalsContact CE2-O 3.27Å; F97-C188 WeakPolarHBondContact CE2-O 3.5Å; F97-L189 HydrophobicContact CD2-CD2 4.17Å; F97-P190 HydrophobicContact CD1-CB 4.37Å; F97-P190 HydrophobicContact CD1-CG 3.67Å; F97-P190 HydrophobicContact CE1-CB 3.85Å; F97-P190 VanDerWaalsContact CE1-CD 3.49Å; F97-P190 HydrophobicContact CE1-CG 3.62Å; F97-P190 HydrophobicContact CG-CG 4.28Å; F97-P190 HydrophobicContact CZ-CB 4.37Å; F97-P190 HydrophobicContact CZ-CG 4.2Å; F97-P190 VanDerWaalsContact O-CD 3.24Å; F97-P190 WeakPolarHBondContact O-CD 3.48Å; F97-P190 VanDerWaalsContact O-CG 3.32Å; F97-P190 WeakPolarHBondContact O-CG 3.14Å |
| 98 | L | 95.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -92.6 | -49.3 | 179 | -55.6 | 173.6 | 0 | 0 | 0 | 111.3 | F20 F62 L94 L96 P190 Q195 F198 | F20-L98 HydrophobicContact CZ-CB 4.46Å; F20-L98 HydrophobicContact CZ-CD1 4.09Å; F62-L98 HydrophobicContact CE1-CD2 3.81Å; F62-L98 HydrophobicContact CZ-CD2 4.12Å; L94-L98 HydrophobicContact CB-CD1 4.29Å; L94-L98 HydrophobicContact CD2-CD1 4.16Å; L94-L98 HydrophobicContact CD2-CG 4.33Å; L94-L98 WeakPolarHBondContact O-CB 3.37Å; L94-L98 WeakPolarHBondContact O-CG 3.43Å; L94-L98 PolarHBondContact O-N 2.87Å; L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 3.04Å; L98-P190 HydrophobicContact CD2-CG 4.09Å; L98-Q195 HydrophobicContact CB-CG 4.47Å; L98-Q195 HydrophobicContact CD2-CB 4.44Å; L98-Q195 HydrophobicContact CD2-CG 4.03Å; L98-Q195 VanDerWaalsContact O-CD 3.26Å; L98-Q195 PolarHBondContact O-NE2 3.26Å; L98-Q195 PolarHBondContact O-OE1 3.04Å; L98-F198 HydrophobicContact CD1-CD1 3.53Å; L98-F198 HydrophobicContact CD1-CE1 3.5Å; L98-F198 VanDerWaalsContact CD1-CE1 3.5Å; L98-F198 HydrophobicContact CD2-CD1 4.28Å |
| 99 | R | 96.9 | Very high | 96.5 | Very high | 70 Ų | 70 | 28.2 Ų | 28.2 | 26% | 0.264 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -122.9 | 12.9 | -165.6 | -61.8 | -175.6 | -176.7 | 171.6 | 0.7 | 114.8 | H19 F20 E24 S95 E199 | H19-R99 HydrophobicContact CB-CB 3.62Å; H19-R99 PolarHBondContact O-NH1 2.9Å; H19-R99 VanDerWaalsContact O-NH1 3.14Å; F20-R99 HydrophobicContact CE1-CG 4.26Å; E24-R99 IonicContact OE1-CZ 3.52Å; E24-R99 IonicContact OE1-NH1 3.02Å; E24-R99 PolarHBondContact OE1-NH1 3.14Å; E24-R99 IonicContact OE1-NH2 3.36Å; E24-R99 PolarHBondContact OE1-NH2 2.89Å; E24-R99 IonicContact OE2-NH1 3.12Å; E24-R99 PolarHBondContact OE2-NH1 2.97Å; E24-R99 VanDerWaalsContact OE2-NH1 3.11Å; S95-R99 CarbonylContact O-C 3.56Å; S95-R99 PolarHBondContact O-N 3.45Å; R99-E199 IonicContact CZ-OE1 2.74Å; R99-E199 IonicContact CZ-OE2 2.78Å; R99-E199 IonicContact NE-OE1 3.97Å; R99-E199 PolarHBondContact NE-OE1 2.74Å; R99-E199 VanDerWaalsContact NE-OE1 3.1Å; R99-E199 IonicContact NE-OE2 3.2Å; R99-E199 PolarHBondContact NE-OE2 3.26Å; R99-E199 IonicContact NH2-OE1 3.11Å; R99-E199 IonicContact NH2-OE2 3.1Å; R99-E199 PolarHBondContact NH2-OE2 3.33Å |
| 100 | G | 96.7 | Very high | 96.6 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 9% | 0.093 | 14% | 0.138 | C | C | . | . | trans | -59.8 | 145.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S95 L96 E104 K105 | S95-G100 PolarHBondContact O-N 2.81Å; L96-G100 VanDerWaalsContact O-CA 3.26Å; L96-G100 WeakPolarHBondContact O-CA 3.33Å; L96-G100 PolarHBondContact O-N 3.09Å; G100-E104 WeakPolarHBondContact CA-OE2 3.38Å; G100-K105 VanDerWaalsContact O-CE 3.29Å; G100-K105 WeakPolarHBondContact O-CE 3.25Å | ||
| 101 | T | 96.8 | Very high | 96.6 | Very high | 58 Ų | 58 | 33.9 Ų | 33.9 | 36% | 0.356 | 16% | 0.164 | S | C | . | . | trans | -67 | 167.8 | 171.9 | 76.4 | 0 | 0 | 0 | 0 | 110.6 | E103 E104 K105 | T101-E103 VanDerWaalsContact CB-OE2 3.3Å; T101-E103 WeakPolarHBondContact CB-OE2 3.35Å; T101-E103 PolarHBondContact O-N 3.19Å; T101-E103 PolarHBondContact OG1-N 3.36Å; T101-E103 PolarHBondContact OG1-OE2 3.03Å; T101-E104 PolarHBondContact N-OE2 3.21Å; T101-E104 PolarHBondContact O-N 3.24Å; T101-E104 PolarHBondContact OG1-N 2.84Å; T101-K105 WeakPolarHBondContact O-CB 3.32Å; T101-K105 WeakPolarHBondContact O-CG 3.34Å; T101-K105 PolarHBondContact O-N 3.17Å | ||
| 102 | L | 96.4 | Very high | 96.5 | Very high | 60 Ų | 60 | 34 Ų | 34 | 31% | 0.314 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -57.2 | -40.4 | 174.8 | -178.2 | 60.9 | 0 | 0 | 0 | 111.2 | E104 K105 M106 V175 T179 L182 | L102-E104 PolarHBondContact O-N 3.29Å; L102-K105 PolarHBondContact O-N 2.93Å; L102-M106 HydrophobicContact CD1-CG 4.25Å; L102-M106 HydrophobicContact CG-CE 4.18Å; L102-M106 HydrophobicContact CG-CG 4.38Å; L102-M106 HydrophobicContact CG-SD 4.33Å; L102-M106 WeakPolarHBondContact O-CB 3.44Å; L102-M106 VanDerWaalsContact O-CG 3.29Å; L102-M106 WeakPolarHBondContact O-CG 3.41Å; L102-M106 PolarHBondContact O-N 2.74Å; L102-V175 HydrophobicContact CD1-CG1 4.27Å; L102-T179 HydrophobicContact CD1-CG2 4.22Å; L102-L182 HydrophobicContact CD1-CD1 4.4Å; L102-L182 HydrophobicContact CD1-CD2 4.26Å |
| 103 | E | 97 | Very high | 96.5 | Very high | 96 Ų | 96 | 31.7 Ų | 31.7 | 45% | 0.449 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64.2 | -38.8 | 177.8 | -57.8 | 82.9 | -174.2 | 0 | 0 | 112.9 | T101 M106 K107 | T101-E103 VanDerWaalsContact CB-OE2 3.3Å; T101-E103 WeakPolarHBondContact CB-OE2 3.35Å; T101-E103 PolarHBondContact O-N 3.19Å; T101-E103 PolarHBondContact OG1-N 3.36Å; T101-E103 PolarHBondContact OG1-OE2 3.03Å; E103-M106 HydrophobicContact CB-CE 4.45Å; E103-M106 HydrophobicContact CG-CE 4.31Å; E103-K107 WeakPolarHBondContact O-CG 3.39Å; E103-K107 PolarHBondContact O-N 3.2Å |
| 104 | E | 96.8 | Very high | 96.5 | Very high | 31 Ų | 31 | 32 Ų | 32 | 15% | 0.145 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.6 | -41.5 | 177.2 | -68 | 177.1 | 131.5 | 0 | 0 | 111.3 | K18 H19 L96 G100 T101 L102 K107 Y108 | K18-E104 WeakPolarHBondContact CD-OE1 3.36Å; K18-E104 WeakPolarHBondContact CE-OE1 3.48Å; K18-E104 IonicContact NZ-OE1 3.96Å; K18-E104 PolarHBondContact NZ-OE1 3.41Å; H19-E104 IonicContact CD2-OE2 3.25Å; H19-E104 IonicContact CE1-OE2 3.42Å; H19-E104 PolarHBondContact CE1-OE2 2.8Å; H19-E104 IonicContact NE2-OE1 3.94Å; H19-E104 IonicContact NE2-OE2 2.77Å; H19-E104 PolarHBondContact NE2-OE2 3.47Å; L96-E104 HydrophobicContact CD1-CB 3.98Å; L96-E104 HydrophobicContact CG-CB 4.12Å; G100-E104 WeakPolarHBondContact CA-OE2 3.38Å; T101-E104 PolarHBondContact N-OE2 3.21Å; T101-E104 PolarHBondContact O-N 3.24Å; T101-E104 PolarHBondContact OG1-N 2.84Å; L102-E104 PolarHBondContact O-N 3.29Å; E104-K107 PolarHBondContact O-N 2.81Å; E104-Y108 WeakPolarHBondContact O-CB 3.35Å; E104-Y108 PolarHBondContact O-N 3.49Å |
| 105 | K | 97.6 | Very high | 96.3 | Very high | 43 Ų | 43 | 33.9 Ų | 33.9 | 19% | 0.187 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -41.2 | 176.4 | -72.5 | 178.3 | 172.3 | -171.6 | 0 | 111.9 | G100 T101 L102 K107 Y108 C109 L182 L189 | G100-K105 VanDerWaalsContact O-CE 3.29Å; G100-K105 WeakPolarHBondContact O-CE 3.25Å; T101-K105 WeakPolarHBondContact O-CB 3.32Å; T101-K105 WeakPolarHBondContact O-CG 3.34Å; T101-K105 PolarHBondContact O-N 3.17Å; L102-K105 PolarHBondContact O-N 2.93Å; K105-K107 PolarHBondContact O-N 3.22Å; K105-Y108 PolarHBondContact O-N 2.99Å; K105-C109 WeakPolarHBondContact O-CB 3.45Å; K105-C109 PolarHBondContact O-N 3.48Å; K105-C109 PolarHBondContact O-SG 3.45Å; K105-L182 HydrophobicContact CB-CD1 4.2Å; K105-L182 HydrophobicContact CB-CD2 4.19Å; K105-L189 HydrophobicContact CB-CD1 4.1Å; K105-L189 HydrophobicContact CD-CD1 3.83Å; K105-L189 HydrophobicContact CG-CD1 3.95Å |
| 106 | M | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -48.9 | 176.1 | -77.4 | -173.8 | -59 | 0 | 0 | 111.7 | L102 E103 Y108 F110 Y171 E172 V175 R176 L182 | L102-M106 HydrophobicContact CD1-CG 4.25Å; L102-M106 HydrophobicContact CG-CE 4.18Å; L102-M106 HydrophobicContact CG-CG 4.38Å; L102-M106 HydrophobicContact CG-SD 4.33Å; L102-M106 WeakPolarHBondContact O-CB 3.44Å; L102-M106 VanDerWaalsContact O-CG 3.29Å; L102-M106 WeakPolarHBondContact O-CG 3.41Å; L102-M106 PolarHBondContact O-N 2.74Å; E103-M106 HydrophobicContact CB-CE 4.45Å; E103-M106 HydrophobicContact CG-CE 4.31Å; M106-Y108 PolarHBondContact O-N 3.35Å; M106-F110 WeakPolarHBondContact O-CB 3.43Å; M106-F110 PolarHBondContact O-N 2.83Å; M106-Y171 HydrophobicContact CB-CE1 4.1Å; M106-Y171 HydrophobicContact CG-CE1 4.34Å; M106-Y171 WeakPolarHBondContact O-CE1 3.39Å; M106-E172 HydrophobicContact CE-CG 3.77Å; M106-E172 HydrophobicContact SD-CG 3.86Å; M106-V175 HydrophobicContact CG-CB 4.2Å; M106-V175 HydrophobicContact CG-CG1 3.72Å; M106-V175 HydrophobicContact SD-CB 3.81Å; M106-V175 HydrophobicContact SD-CG1 3.69Å; M106-R176 HydrophobicContact CE-CG 4.31Å; M106-R176 HydrophobicContact SD-CG 4.29Å; M106-L182 HydrophobicContact CB-CD1 4.49Å; M106-L182 HydrophobicContact CG-CD1 3.87Å |
| 107 | K | 96.9 | Very high | 96.1 | Very high | 113 Ų | 113 | 40 Ų | 40 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 177.3 | -70.2 | 178.5 | -179.8 | -177.2 | 0 | 112 | E103 E104 K105 F110 E111 Y168 | E103-K107 WeakPolarHBondContact O-CG 3.39Å; E103-K107 PolarHBondContact O-N 3.2Å; E104-K107 PolarHBondContact O-N 2.81Å; K105-K107 PolarHBondContact O-N 3.22Å; K107-F110 PolarHBondContact O-N 3.04Å; K107-E111 WeakPolarHBondContact O-CG 3.5Å; K107-E111 PolarHBondContact O-N 3.44Å; K107-Y168 HydrophobicContact CB-CE2 4.38Å; K107-Y168 HydrophobicContact CG-CE2 3.69Å; K107-Y168 VanDerWaalsContact CG-OH 3.29Å; K107-Y168 WeakPolarHBondContact CG-OH 3.4Å |
| 108 | Y | 96.8 | Very high | 96.2 | Very high | 12 Ų | 12 | 44.2 Ų | 44.2 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -48.9 | 179.9 | 176.2 | -96.5 | 0 | 0 | 0 | 112.7 | V73 L96 F97 E104 K105 M106 F110 E111 V112 L189 | V73-Y108 WeakPolarHBondContact CA-OH 3.47Å; V73-Y108 WeakPolarHBondContact CG1-OH 3.26Å; L96-Y108 HydrophobicContact CD1-CD2 4.46Å; L96-Y108 HydrophobicContact CD1-CG 4.45Å; L96-Y108 HydrophobicContact CD2-CD1 3.93Å; L96-Y108 HydrophobicContact CD2-CD2 3.9Å; L96-Y108 HydrophobicContact CD2-CG 3.52Å; F97-Y108 HydrophobicContact CD2-CE1 4.35Å; E104-Y108 WeakPolarHBondContact O-CB 3.35Å; E104-Y108 PolarHBondContact O-N 3.49Å; K105-Y108 PolarHBondContact O-N 2.99Å; M106-Y108 PolarHBondContact O-N 3.35Å; Y108-F110 VanDerWaalsContact C-N 3.3Å; Y108-F110 PolarHBondContact O-N 2.99Å; Y108-E111 PolarHBondContact O-N 3.27Å; Y108-V112 HydrophobicContact CD1-CG2 4.33Å; Y108-V112 HydrophobicContact CE1-CG2 3.91Å; Y108-V112 HydrophobicContact CE2-CG2 4.43Å; Y108-V112 WeakPolarHBondContact O-CG2 3.5Å; Y108-V112 PolarHBondContact O-N 2.95Å; Y108-L189 HydrophobicContact CD1-CD2 3.87Å; Y108-L189 HydrophobicContact CE1-CD2 3.91Å |
| 109 | C | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 177.4 | -67.2 | 0 | 0 | 0 | 0 | 111.1 | K105 E111 V112 F113 Y171 L182 C188 | K105-C109 WeakPolarHBondContact O-CB 3.45Å; K105-C109 PolarHBondContact O-N 3.48Å; K105-C109 PolarHBondContact O-SG 3.45Å; C109-E111 PolarHBondContact O-N 3.04Å; C109-V112 WeakPolarHBondContact O-CB 3.17Å; C109-V112 PolarHBondContact O-N 3.31Å; C109-V112 VanDerWaalsContact O-N 3.15Å; C109-F113 HydrophobicContact CB-CD2 4.37Å; C109-F113 HydrophobicContact CB-CE2 3.79Å; C109-F113 HydrophobicContact CB-CZ 4.23Å; C109-F113 WeakPolarHBondContact O-CD2 3.45Å; C109-F113 WeakPolarHBondContact O-CG 3.27Å; C109-F113 PolarHBondContact O-N 3.32Å; C109-Y171 VanDerWaalsContact CB-OH 3.24Å; C109-Y171 WeakPolarHBondContact CB-OH 3.41Å; C109-L182 HydrophobicContact CB-CD1 4.39Å; C109-L182 WeakPolarHBondContact CB-O 3.42Å; C109-L182 PolarHBondContact SG-O 3.48Å; C109-C188 PolarHBondContact SG-SG 3.09Å |
| 110 | F | 97.4 | Very high | 96.3 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 5% | 0.053 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -48.1 | 176.4 | -172.8 | -89.9 | 0 | 0 | 0 | 111.9 | M106 K107 Y108 V112 F113 D114 G119 I121 Y168 Y171 | M106-F110 WeakPolarHBondContact O-CB 3.43Å; M106-F110 PolarHBondContact O-N 2.83Å; K107-F110 PolarHBondContact O-N 3.04Å; Y108-F110 VanDerWaalsContact C-N 3.3Å; Y108-F110 PolarHBondContact O-N 2.99Å; F110-V112 PolarHBondContact O-N 3.43Å; F110-F113 PolarHBondContact O-N 3.08Å; F110-F113 VanDerWaalsContact O-N 3.07Å; F110-D114 HydrophobicContact CE1-CB 4.24Å; F110-D114 WeakPolarHBondContact O-CB 3.27Å; F110-D114 PolarHBondContact O-N 3.25Å; F110-G119 WeakPolarHBondContact CZ-O 3.41Å; F110-I121 HydrophobicContact CD2-CD1 3.64Å; F110-I121 HydrophobicContact CD2-CG1 4.18Å; F110-I121 HydrophobicContact CE2-CD1 3.65Å; F110-I121 HydrophobicContact CE2-CG1 3.76Å; F110-I121 HydrophobicContact CG-CD1 4.49Å; F110-I121 HydrophobicContact CZ-CD1 4.5Å; F110-I121 HydrophobicContact CZ-CG1 4.16Å; F110-Y168 HydrophobicContact CB-CD2 3.94Å; F110-Y168 HydrophobicContact CB-CE2 4.38Å; F110-Y168 HydrophobicContact CD1-CD2 4.05Å; F110-Y168 HydrophobicContact CD2-CD2 4.15Å; F110-Y168 AromaticContact CG-CD2 3.77Å; F110-Y168 HydrophobicContact CG-CD2 3.77Å; F110-Y171 HydrophobicContact CB-CD1 4.09Å; F110-Y171 HydrophobicContact CB-CE1 4.12Å; F110-Y171 AromaticContact CD2-CD1 3.85Å; F110-Y171 HydrophobicContact CD2-CD1 3.85Å; F110-Y171 HydrophobicContact CD2-CD2 4.44Å; F110-Y171 AromaticContact CD2-CG 3.76Å; F110-Y171 HydrophobicContact CD2-CG 3.76Å; F110-Y171 HydrophobicContact CG-CD1 4.42Å |
| 111 | E | 95.1 | Very high | 96.4 | Very high | 118 Ų | 118 | 45 Ų | 45 | 55% | 0.551 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.5 | -32.3 | 175.2 | -71.1 | 170.5 | -172.7 | 0 | 0 | 112.5 | R72 K107 Y108 C109 | R72-E111 PolarHBondContact NH2-O 3.5Å; K107-E111 WeakPolarHBondContact O-CG 3.5Å; K107-E111 PolarHBondContact O-N 3.44Å; Y108-E111 PolarHBondContact O-N 3.27Å; C109-E111 PolarHBondContact O-N 3.04Å |
| 112 | V | 95 | Very high | 96.4 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 173.4 | 162.2 | 0 | 0 | 0 | 0 | 111.1 | R72 Y108 C109 F110 C188 | R72-V112 HydrophobicContact CB-CB 4.35Å; R72-V112 HydrophobicContact CB-CG1 3.75Å; R72-V112 HydrophobicContact CB-CG2 4.41Å; R72-V112 HydrophobicContact CG-CG1 4.49Å; R72-V112 WeakPolarHBondContact CG-O 3.48Å; R72-V112 PolarHBondContact NE-O 3.33Å; Y108-V112 HydrophobicContact CD1-CG2 4.33Å; Y108-V112 HydrophobicContact CE1-CG2 3.91Å; Y108-V112 HydrophobicContact CE2-CG2 4.43Å; Y108-V112 WeakPolarHBondContact O-CG2 3.5Å; Y108-V112 PolarHBondContact O-N 2.95Å; C109-V112 WeakPolarHBondContact O-CB 3.17Å; C109-V112 PolarHBondContact O-N 3.31Å; C109-V112 VanDerWaalsContact O-N 3.15Å; F110-V112 PolarHBondContact O-N 3.43Å; V112-C188 HydrophobicContact CG1-CB 3.73Å |
| 113 | F | 95.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -82.8 | -31.9 | -175.3 | -57.3 | -33.2 | 0 | 0 | 0 | 114.4 | C109 F110 L115 I121 M129 Y171 F185 | C109-F113 HydrophobicContact CB-CD2 4.37Å; C109-F113 HydrophobicContact CB-CE2 3.79Å; C109-F113 HydrophobicContact CB-CZ 4.23Å; C109-F113 WeakPolarHBondContact O-CD2 3.45Å; C109-F113 WeakPolarHBondContact O-CG 3.27Å; C109-F113 PolarHBondContact O-N 3.32Å; F110-F113 PolarHBondContact O-N 3.08Å; F110-F113 VanDerWaalsContact O-N 3.07Å; F113-L115 PolarHBondContact O-N 3.43Å; F113-I121 HydrophobicContact CB-CD1 3.6Å; F113-I121 HydrophobicContact CB-CG1 4.06Å; F113-I121 HydrophobicContact CD2-CD1 4.26Å; F113-I121 HydrophobicContact CG-CD1 4.43Å; F113-M129 HydrophobicContact CD1-CE 3.75Å; F113-M129 HydrophobicContact CE1-CE 4.11Å; F113-Y171 HydrophobicContact CD2-CE2 4.34Å; F113-Y171 HydrophobicContact CE2-CE2 4.29Å; F113-F185 HydrophobicContact CB-CD2 4.21Å; F113-F185 HydrophobicContact CD1-CB 3.96Å; F113-F185 HydrophobicContact CD1-CD2 4.33Å; F113-F185 AromaticContact CD2-CD2 3.55Å; F113-F185 HydrophobicContact CD2-CD2 3.55Å; F113-F185 HydrophobicContact CD2-CE2 4.28Å; F113-F185 HydrophobicContact CE1-CB 3.98Å; F113-F185 AromaticContact CE2-CD2 3.91Å; F113-F185 HydrophobicContact CE2-CD2 3.91Å; F113-F185 HydrophobicContact CG-CB 4.27Å; F113-F185 AromaticContact CG-CD2 3.78Å; F113-F185 HydrophobicContact CG-CD2 3.78Å; F113-F185 HydrophobicContact CG-CG 4.47Å; F113-F185 HydrophobicContact CZ-CB 4.29Å; F113-F185 HydrophobicContact CZ-CD2 4.45Å |
| 114 | D | 96 | Very high | 96.4 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.064 | 24% | 0.242 | C | C | . | . | trans | -72.6 | 90.6 | 172.3 | 176 | 1.6 | 0 | 0 | 0 | 109.5 | R72 F110 N116 G117 D118 G119 | R72-D114 PolarHBondContact NH2-O 3.38Å; F110-D114 HydrophobicContact CE1-CB 4.24Å; F110-D114 WeakPolarHBondContact O-CB 3.27Å; F110-D114 PolarHBondContact O-N 3.25Å; D114-N116 PolarHBondContact O-N 3.43Å; D114-N116 PolarHBondContact OD1-OD1 3.18Å; D114-N116 VanDerWaalsContact OD1-OD1 3.09Å; D114-G117 WeakPolarHBondContact OD1-CA 3.48Å; D114-G117 PolarHBondContact OD1-N 3.41Å; D114-G117 WeakPolarHBondContact OD2-CA 3.24Å; D114-D118 PolarHBondContact OD1-N 2.79Å; D114-D118 PolarHBondContact OD2-N 3.4Å; D114-G119 VanDerWaalsContact OD2-CA 3.31Å; D114-G119 WeakPolarHBondContact OD2-CA 3.36Å; D114-G119 PolarHBondContact OD2-N 2.73Å | ||
| 115 | L | 93.2 | Very high | 96.4 | Very high | 42 Ų | 42 | 44.3 Ų | 44.3 | 22% | 0.22 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -71 | -37.4 | -167.8 | -56.1 | -176.4 | 0 | 0 | 0 | 111.9 | M68 R72 F113 E125 M129 | M68-L115 HydrophobicContact CE-CD1 3.16Å; M68-L115 HydrophobicContact CE-CD2 3.68Å; M68-L115 HydrophobicContact CE-CG 4.07Å; R72-L115 HydrophobicContact CG-CD2 4.23Å; R72-L115 PolarHBondContact NH1-O 2.88Å; F113-L115 PolarHBondContact O-N 3.43Å; L115-E125 WeakPolarHBondContact CA-OE1 3.5Å; L115-E125 HydrophobicContact CB-CG 3.96Å; L115-E125 WeakPolarHBondContact CB-OE1 3.33Å; L115-E125 HydrophobicContact CD1-CB 4.09Å; L115-E125 HydrophobicContact CD1-CG 3.8Å; L115-E125 HydrophobicContact CG-CB 4.09Å; L115-E125 HydrophobicContact CG-CG 3.76Å; L115-E125 PolarHBondContact N-OE1 3.19Å; L115-M129 HydrophobicContact CD2-CG 4.44Å; L115-M129 HydrophobicContact CD2-SD 3.8Å |
| 116 | N | 93.8 | Very high | 96.2 | Very high | 101 Ų | 101 | 42.2 Ų | 42.2 | 54% | 0.54 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -91.2 | -13.2 | -176.8 | 74.4 | 11.9 | 0 | 0 | 0 | 113.3 | D114 D118 E125 | D114-N116 PolarHBondContact O-N 3.43Å; D114-N116 PolarHBondContact OD1-OD1 3.18Å; D114-N116 VanDerWaalsContact OD1-OD1 3.09Å; N116-D118 PolarHBondContact ND2-OD2 3.26Å; N116-D118 WeakPolarHBondContact OD1-CB 3.39Å; N116-D118 PolarHBondContact OD1-N 3.07Å; N116-D118 PolarHBondContact OD1-OD1 2.58Å; N116-D118 PolarHBondContact OD1-OD2 3.38Å; N116-E125 PolarHBondContact N-OE1 3.12Å |
| 117 | G | 94.3 | Very high | 96 | Very high | 59 Ų | 59 | 44.1 Ų | 44.1 | 61% | 0.608 | 24% | 0.237 | S | C | * | . | trans | 75.5 | 24.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D114 G119 | D114-G117 WeakPolarHBondContact OD1-CA 3.48Å; D114-G117 PolarHBondContact OD1-N 3.41Å; D114-G117 WeakPolarHBondContact OD2-CA 3.24Å; G117-G119 VanDerWaalsContact C-N 3.28Å | ||
| 118 | D | 96.7 | Very high | 95.7 | Very high | 89 Ų | 89 | 43.7 Ų | 43.7 | 48% | 0.476 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -84.5 | -2.1 | -178 | 76 | 17 | 0 | 0 | 0 | 113.7 | D114 N116 F120 | D114-D118 PolarHBondContact OD1-N 2.79Å; D114-D118 PolarHBondContact OD2-N 3.4Å; N116-D118 PolarHBondContact ND2-OD2 3.26Å; N116-D118 WeakPolarHBondContact OD1-CB 3.39Å; N116-D118 PolarHBondContact OD1-N 3.07Å; N116-D118 PolarHBondContact OD1-OD1 2.58Å; N116-D118 PolarHBondContact OD1-OD2 3.38Å; D118-F120 WeakPolarHBondContact O-CD2 3.38Å; D118-F120 WeakPolarHBondContact OD1-CA 3.36Å; D118-F120 WeakPolarHBondContact OD1-CB 3.36Å; D118-F120 PolarHBondContact OD1-N 2.73Å |
| 119 | G | 97.2 | Very high | 95.4 | Very high | 33 Ų | 33 | 43.2 Ų | 43.2 | 34% | 0.34 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 87.9 | 8.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F110 D114 G117 | F110-G119 WeakPolarHBondContact CZ-O 3.41Å; D114-G119 VanDerWaalsContact OD2-CA 3.31Å; D114-G119 WeakPolarHBondContact OD2-CA 3.36Å; D114-G119 PolarHBondContact OD2-N 2.73Å; G117-G119 VanDerWaalsContact C-N 3.28Å |
| 120 | F | 98.1 | Very high | 95 | Very high | 63 Ų | 63 | 43.8 Ų | 43.8 | 28% | 0.276 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 153.3 | 176.9 | -57.6 | -93.4 | 0 | 0 | 0 | 111.4 | D118 K165 L166 | D118-F120 WeakPolarHBondContact O-CD2 3.38Å; D118-F120 WeakPolarHBondContact OD1-CA 3.36Å; D118-F120 WeakPolarHBondContact OD1-CB 3.36Å; D118-F120 PolarHBondContact OD1-N 2.73Å; F120-K165 HydrophobicContact CB-CB 4.41Å; F120-K165 HydrophobicContact CB-CD 3.8Å; F120-K165 HydrophobicContact CB-CG 4.34Å; F120-K165 HydrophobicContact CD1-CD 3.57Å; F120-K165 HydrophobicContact CD1-CG 3.94Å; F120-K165 HydrophobicContact CD2-CD 4.41Å; F120-K165 HydrophobicContact CE1-CD 4.24Å; F120-K165 VanDerWaalsContact CE1-NZ 3.31Å; F120-K165 HydrophobicContact CG-CD 3.67Å; F120-K165 HydrophobicContact CG-CG 4.39Å; F120-K165 VanDerWaalsContact CZ-NZ 3.31Å; F120-L166 CarbonylContact C-O 3.52Å; F120-L166 VanDerWaalsContact CA-O 3.25Å; F120-L166 WeakPolarHBondContact CA-O 3.25Å |
| 121 | I | 98.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 108.1 | 167.2 | -53.5 | 166.7 | 0 | 0 | 0 | 107.2 | F110 F113 E125 M126 K165 L166 F185 | F110-I121 HydrophobicContact CD2-CD1 3.64Å; F110-I121 HydrophobicContact CD2-CG1 4.18Å; F110-I121 HydrophobicContact CE2-CD1 3.65Å; F110-I121 HydrophobicContact CE2-CG1 3.76Å; F110-I121 HydrophobicContact CG-CD1 4.49Å; F110-I121 HydrophobicContact CZ-CD1 4.5Å; F110-I121 HydrophobicContact CZ-CG1 4.16Å; F113-I121 HydrophobicContact CB-CD1 3.6Å; F113-I121 HydrophobicContact CB-CG1 4.06Å; F113-I121 HydrophobicContact CD2-CD1 4.26Å; F113-I121 HydrophobicContact CG-CD1 4.43Å; I121-E125 HydrophobicContact CG2-CB 4.26Å; I121-M126 HydrophobicContact CB-CE 4.44Å; I121-M126 HydrophobicContact CG2-CE 4.13Å; I121-M126 HydrophobicContact CG2-CG 3.69Å; I121-M126 WeakPolarHBondContact O-CE 3.46Å; I121-K165 WeakPolarHBondContact O-CA 3.37Å; I121-L166 HydrophobicContact CB-CB 4.24Å; I121-L166 PolarHBondContact N-O 2.94Å; I121-L166 PolarHBondContact O-N 3.46Å; I121-F185 HydrophobicContact CD1-CD2 4.48Å; I121-F185 HydrophobicContact CD1-CE2 4Å; I121-F185 HydrophobicContact CG2-CE2 4.33Å; I121-F185 HydrophobicContact CG2-CZ 4.49Å |
| 122 | S | 98 | Very high | 93.7 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | trans | -78.3 | 161.4 | 178.8 | 62 | 0 | 0 | 0 | 0 | 112.7 | E124 E125 M126 | S122-E124 PolarHBondContact O-N 3.29Å; S122-E125 WeakPolarHBondContact CB-OE2 3.34Å; S122-E125 PolarHBondContact N-OE2 3.25Å; S122-E125 PolarHBondContact O-N 3.19Å; S122-E125 VanDerWaalsContact O-N 3.1Å; S122-E125 VanDerWaalsContact OG-CD 3.23Å; S122-E125 WeakPolarHBondContact OG-CG 3.28Å; S122-E125 PolarHBondContact OG-N 2.88Å; S122-E125 PolarHBondContact OG-OE2 3.48Å; S122-M126 WeakPolarHBondContact O-CG 3.32Å; S122-M126 PolarHBondContact O-N 2.86Å | ||
| 123 | K | 96.8 | Very high | 92.6 | Very high | 69 Ų | 69 | 45 Ų | 45 | 30% | 0.3 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -53.8 | -41.1 | 173.6 | -71.8 | -170.6 | -171.7 | -137.9 | 0 | 111.9 | M126 F127 V151 E152 L155 | K123-M126 PolarHBondContact O-N 2.86Å; K123-F127 WeakPolarHBondContact O-CB 3.1Å; K123-F127 PolarHBondContact O-N 3.24Å; K123-V151 HydrophobicContact CB-CG1 4.15Å; K123-V151 HydrophobicContact CG-CG1 4.1Å; K123-E152 IonicContact NZ-OE1 3.19Å; K123-E152 PolarHBondContact NZ-OE1 3.2Å; K123-E152 IonicContact NZ-OE2 2.74Å; K123-E152 PolarHBondContact NZ-OE2 3.1Å; K123-L155 HydrophobicContact CD-CD1 3.92Å; K123-L155 HydrophobicContact CG-CD1 3.68Å |
| 124 | E | 95.8 | Very high | 91.5 | Very high | 127 Ų | 127 | 49.4 Ų | 49.4 | 59% | 0.593 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 179 | -68 | 72.1 | -161 | 0 | 0 | 110.9 | S122 F127 H128 | S122-E124 PolarHBondContact O-N 3.29Å; E124-F127 PolarHBondContact O-N 3.27Å; E124-H128 PolarHBondContact O-N 3.47Å; E124-H128 PolarHBondContact O-ND1 3.26Å |
| 125 | E | 95.9 | Very high | 89.9 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 177.9 | -69.4 | 165.7 | 136.1 | 0 | 0 | 111.5 | L115 N116 I121 S122 F127 H128 M129 | L115-E125 WeakPolarHBondContact CA-OE1 3.5Å; L115-E125 HydrophobicContact CB-CG 3.96Å; L115-E125 WeakPolarHBondContact CB-OE1 3.33Å; L115-E125 HydrophobicContact CD1-CB 4.09Å; L115-E125 HydrophobicContact CD1-CG 3.8Å; L115-E125 HydrophobicContact CG-CB 4.09Å; L115-E125 HydrophobicContact CG-CG 3.76Å; L115-E125 PolarHBondContact N-OE1 3.19Å; N116-E125 PolarHBondContact N-OE1 3.12Å; I121-E125 HydrophobicContact CG2-CB 4.26Å; S122-E125 WeakPolarHBondContact CB-OE2 3.34Å; S122-E125 PolarHBondContact N-OE2 3.25Å; S122-E125 PolarHBondContact O-N 3.19Å; S122-E125 VanDerWaalsContact O-N 3.1Å; S122-E125 VanDerWaalsContact OG-CD 3.23Å; S122-E125 WeakPolarHBondContact OG-CG 3.28Å; S122-E125 PolarHBondContact OG-N 2.88Å; S122-E125 PolarHBondContact OG-OE2 3.48Å; E125-F127 VanDerWaalsContact C-N 3.3Å; E125-F127 PolarHBondContact O-N 2.73Å; E125-H128 PolarHBondContact O-N 2.81Å; E125-M129 WeakPolarHBondContact O-CB 3.25Å; E125-M129 WeakPolarHBondContact O-CG 3.2Å; E125-M129 PolarHBondContact O-N 3.48Å |
| 126 | M | 95.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.5 | -47.6 | 174 | -60.9 | -178.7 | -155.2 | 0 | 0 | 111.2 | I121 S122 K123 H128 M129 L130 V151 T154 L155 L166 F185 | I121-M126 HydrophobicContact CB-CE 4.44Å; I121-M126 HydrophobicContact CG2-CE 4.13Å; I121-M126 HydrophobicContact CG2-CG 3.69Å; I121-M126 WeakPolarHBondContact O-CE 3.46Å; S122-M126 WeakPolarHBondContact O-CG 3.32Å; S122-M126 PolarHBondContact O-N 2.86Å; K123-M126 PolarHBondContact O-N 2.86Å; M126-H128 PolarHBondContact O-N 3.13Å; M126-M129 PolarHBondContact O-N 3.34Å; M126-L130 VanDerWaalsContact O-CB 3.32Å; M126-L130 WeakPolarHBondContact O-CB 3.48Å; M126-L130 VanDerWaalsContact O-CG 3.24Å; M126-L130 WeakPolarHBondContact O-CG 3.29Å; M126-L130 PolarHBondContact O-N 3.47Å; M126-V151 HydrophobicContact CB-CG1 4.31Å; M126-V151 HydrophobicContact CB-CG2 3.9Å; M126-V151 HydrophobicContact SD-CG1 4.14Å; M126-T154 HydrophobicContact SD-CG2 4.27Å; M126-L155 HydrophobicContact CE-CD2 3.7Å; M126-L155 HydrophobicContact CE-CG 4.23Å; M126-L155 HydrophobicContact SD-CD2 4.39Å; M126-L155 HydrophobicContact SD-CG 4.28Å; M126-L166 HydrophobicContact CE-CB 4.4Å; M126-L166 HydrophobicContact CE-CD1 3.65Å; M126-L166 HydrophobicContact CE-CG 3.54Å; M126-F185 HydrophobicContact CB-CD1 4.03Å; M126-F185 HydrophobicContact CB-CE1 3.77Å; M126-F185 HydrophobicContact CE-CZ 4.42Å; M126-F185 HydrophobicContact CG-CD1 4Å; M126-F185 HydrophobicContact CG-CE1 3.36Å; M126-F185 HydrophobicContact CG-CZ 3.75Å; M126-F185 HydrophobicContact SD-CE1 3.73Å; M126-F185 HydrophobicContact SD-CZ 3.95Å |
| 127 | F | 93.2 | Very high | 86.1 | Confident | 40 Ų | 40 | 59.3 Ų | 59.3 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 179.7 | -177.8 | -88.5 | 0 | 0 | 0 | 111.5 | K123 E124 E125 M129 K131 D144 I147 K148 V151 | K123-F127 WeakPolarHBondContact O-CB 3.1Å; K123-F127 PolarHBondContact O-N 3.24Å; E124-F127 PolarHBondContact O-N 3.27Å; E125-F127 VanDerWaalsContact C-N 3.3Å; E125-F127 PolarHBondContact O-N 2.73Å; F127-M129 PolarHBondContact O-N 3.42Å; F127-K131 HydrophobicContact CD1-CD 4.48Å; F127-K131 HydrophobicContact CE1-CD 3.66Å; F127-K131 HydrophobicContact CZ-CD 4.06Å; F127-K131 WeakPolarHBondContact O-CB 3.37Å; F127-K131 PolarHBondContact O-N 2.88Å; F127-D144 HydrophobicContact CE2-CB 4.42Å; F127-D144 HydrophobicContact CZ-CB 4.06Å; F127-I147 HydrophobicContact CD2-CB 4.09Å; F127-I147 HydrophobicContact CD2-CG2 3.45Å; F127-I147 VanDerWaalsContact CD2-CG2 3.45Å; F127-I147 HydrophobicContact CE2-CB 3.85Å; F127-I147 HydrophobicContact CE2-CG2 3.72Å; F127-I147 HydrophobicContact CG-CG2 4.07Å; F127-K148 HydrophobicContact CD2-CG 4.26Å; F127-K148 HydrophobicContact CE2-CG 4Å; F127-V151 HydrophobicContact CB-CG2 4.16Å |
| 128 | H | 90.9 | Very high | 84.1 | Confident | 103 Ų | 103 | 63 Ų | 63 | 48% | 0.477 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | -180 | -78.2 | 81.8 | 0 | 0 | 0 | 112.3 | M68 E124 E125 M126 N132 | M68-H128 HydrophobicContact CE-CB 4.06Å; E124-H128 PolarHBondContact O-N 3.47Å; E124-H128 PolarHBondContact O-ND1 3.26Å; E125-H128 PolarHBondContact O-N 2.81Å; M126-H128 PolarHBondContact O-N 3.13Å; H128-N132 PolarHBondContact O-N 3.05Å; H128-N132 PolarHBondContact O-ND2 2.83Å |
| 129 | M | 90 | Very high | 82.3 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.2 | -45.8 | -179.1 | -67.9 | -66 | -60.7 | 0 | 0 | 112.1 | M68 I69 F113 L115 E125 M126 F127 N132 S133 F185 | M68-M129 HydrophobicContact CE-CG 4Å; M68-M129 HydrophobicContact CE-SD 3.23Å; M68-M129 WeakPolarHBondContact CE-SD 3.19Å; M68-M129 HydrophobicContact CG-SD 4.05Å; M68-M129 HydrophobicContact SD-SD 3.54Å; I69-M129 HydrophobicContact CD1-CE 3.26Å; I69-M129 HydrophobicContact CG1-CE 4.14Å; F113-M129 HydrophobicContact CD1-CE 3.75Å; F113-M129 HydrophobicContact CE1-CE 4.11Å; L115-M129 HydrophobicContact CD2-CG 4.44Å; L115-M129 HydrophobicContact CD2-SD 3.8Å; E125-M129 WeakPolarHBondContact O-CB 3.25Å; E125-M129 WeakPolarHBondContact O-CG 3.2Å; E125-M129 PolarHBondContact O-N 3.48Å; M126-M129 PolarHBondContact O-N 3.34Å; F127-M129 PolarHBondContact O-N 3.42Å; M129-N132 PolarHBondContact O-N 2.93Å; M129-S133 WeakPolarHBondContact O-CB 3.5Å; M129-S133 PolarHBondContact O-N 3.36Å; M129-S133 VanDerWaalsContact O-N 3.09Å; M129-S133 PolarHBondContact O-OG 3.13Å; M129-F185 CarbonylContact C-O 3.59Å; M129-F185 HydrophobicContact CB-CB 3.89Å |
| 130 | L | 88.9 | Confident | 80.5 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 6% | 0.063 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 178.3 | -71.2 | 171.7 | 0 | 0 | 0 | 111.8 | M126 N132 S133 L134 I147 L150 V151 F185 | M126-L130 VanDerWaalsContact O-CB 3.32Å; M126-L130 WeakPolarHBondContact O-CB 3.48Å; M126-L130 VanDerWaalsContact O-CG 3.24Å; M126-L130 WeakPolarHBondContact O-CG 3.29Å; M126-L130 PolarHBondContact O-N 3.47Å; L130-N132 PolarHBondContact O-N 2.92Å; L130-S133 PolarHBondContact O-N 3.18Å; L130-L134 HydrophobicContact CB-CD1 4.39Å; L130-L134 HydrophobicContact CD2-CD1 4.43Å; L130-L134 VanDerWaalsContact O-CB 3.29Å; L130-L134 WeakPolarHBondContact O-CB 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.44Å; L130-L134 PolarHBondContact O-N 3.32Å; L130-I147 HydrophobicContact CB-CD1 4.18Å; L130-I147 HydrophobicContact CB-CG2 3.82Å; L130-I147 HydrophobicContact CD1-CG2 4.49Å; L130-L150 HydrophobicContact CD1-CB 4.1Å; L130-V151 HydrophobicContact CD1-CG2 3.93Å; L130-F185 HydrophobicContact CD1-CD1 4.37Å; L130-F185 HydrophobicContact CD2-CD1 4.4Å; L130-F185 HydrophobicContact CG-CD1 4.2Å |
| 131 | K | 86.2 | Confident | 78.9 | Confident | 56 Ų | 56 | 75.6 Ų | 75.6 | 24% | 0.243 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59 | -47.1 | 177.7 | -176.9 | 164.3 | 179.9 | 156.4 | 0 | 111.3 | F127 L135 D144 | F127-K131 HydrophobicContact CD1-CD 4.48Å; F127-K131 HydrophobicContact CE1-CD 3.66Å; F127-K131 HydrophobicContact CZ-CD 4.06Å; F127-K131 WeakPolarHBondContact O-CB 3.37Å; F127-K131 PolarHBondContact O-N 2.88Å; K131-L135 HydrophobicContact CD-CD1 4.17Å; K131-L135 HydrophobicContact CG-CD1 3.32Å; K131-L135 HydrophobicContact CG-CG 4.03Å; K131-L135 WeakPolarHBondContact O-CB 3.23Å; K131-L135 WeakPolarHBondContact O-CD1 3.35Å; K131-L135 WeakPolarHBondContact O-CG 3.24Å; K131-L135 PolarHBondContact O-N 2.77Å; K131-L135 VanDerWaalsContact O-N 3.14Å; K131-D144 WeakPolarHBondContact CE-OD1 3.28Å; K131-D144 IonicContact NZ-OD1 3.59Å; K131-D144 PolarHBondContact NZ-OD1 3.15Å; K131-D144 IonicContact NZ-OD2 2.62Å; K131-D144 PolarHBondContact NZ-OD2 3.19Å |
| 132 | N | 78.3 | Confident | 77.6 | Confident | 72 Ų | 72 | 80.4 Ų | 80.4 | 39% | 0.385 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.6 | -35.1 | 179.2 | -71.5 | -23.9 | 0 | 0 | 0 | 112.9 | D66 M68 H128 M129 L130 | D66-N132 VanDerWaalsContact OD2-CB 3.3Å; D66-N132 WeakPolarHBondContact OD2-CB 3.34Å; M68-N132 PolarHBondContact SD-ND2 3.35Å; H128-N132 PolarHBondContact O-N 3.05Å; H128-N132 PolarHBondContact O-ND2 2.83Å; M129-N132 PolarHBondContact O-N 2.93Å; L130-N132 PolarHBondContact O-N 2.92Å |
| 133 | S | 73.6 | Confident | 76.3 | Confident | 31 Ų | 31 | 81.7 Ų | 81.7 | 22% | 0.217 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.8 | -36.8 | 178.3 | -65.4 | 0 | 0 | 0 | 0 | 113.3 | D66 M129 L130 F185 G186 | D66-S133 PolarHBondContact OD2-N 3.46Å; M129-S133 WeakPolarHBondContact O-CB 3.5Å; M129-S133 PolarHBondContact O-N 3.36Å; M129-S133 VanDerWaalsContact O-N 3.09Å; M129-S133 PolarHBondContact O-OG 3.13Å; L130-S133 PolarHBondContact O-N 3.18Å; S133-F185 PolarHBondContact OG-O 3.39Å; S133-G186 WeakPolarHBondContact OG-CA 3.49Å |
| 134 | L | 70.9 | Confident | 75.7 | Confident | 91 Ų | 91 | 80.5 Ų | 80.5 | 48% | 0.476 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -99.6 | -20.3 | -169.3 | -64.8 | 171.6 | 0 | 0 | 0 | 114.6 | L130 K136 I147 L150 | L130-L134 HydrophobicContact CB-CD1 4.39Å; L130-L134 HydrophobicContact CD2-CD1 4.43Å; L130-L134 VanDerWaalsContact O-CB 3.29Å; L130-L134 WeakPolarHBondContact O-CB 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.44Å; L130-L134 PolarHBondContact O-N 3.32Å; L134-K136 PolarHBondContact O-N 3.16Å; L134-I147 HydrophobicContact CB-CD1 4.01Å; L134-I147 HydrophobicContact CD1-CD1 3.44Å; L134-I147 VanDerWaalsContact CD1-CD1 3.44Å; L134-I147 HydrophobicContact CG-CD1 4.3Å; L134-L150 HydrophobicContact CD1-CD1 3.42Å; L134-L150 VanDerWaalsContact CD1-CD1 3.42Å |
| 135 | L | 62.8 | Low | 75.2 | Confident | 80 Ų | 80 | 79 Ų | 79 | 42% | 0.419 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 22.7 | -175.7 | -79.9 | 178.7 | 0 | 0 | 0 | 116.2 | K131 P143 | K131-L135 HydrophobicContact CD-CD1 4.17Å; K131-L135 HydrophobicContact CG-CD1 3.32Å; K131-L135 HydrophobicContact CG-CG 4.03Å; K131-L135 WeakPolarHBondContact O-CB 3.23Å; K131-L135 WeakPolarHBondContact O-CD1 3.35Å; K131-L135 WeakPolarHBondContact O-CG 3.24Å; K131-L135 PolarHBondContact O-N 2.77Å; K131-L135 VanDerWaalsContact O-N 3.14Å; L135-P143 HydrophobicContact CD2-CB 3.58Å; L135-P143 HydrophobicContact CD2-CG 3.81Å |
| 136 | K | 55.3 | Low | 74.8 | Confident | 120 Ų | 120 | 80.3 Ų | 80.3 | 52% | 0.522 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -2.9 | 175.7 | -66.3 | -172.3 | -178.1 | 176.4 | 0 | 114.2 | T65 L134 | T65-K136 VanDerWaalsContact CB-NZ 3.28Å; T65-K136 PolarHBondContact O-NZ 3.01Å; T65-K136 PolarHBondContact OG1-NZ 2.93Å; L134-K136 PolarHBondContact O-N 3.16Å |
| 137 | Q | 52.8 | Low | 74.6 | Confident | 164 Ų | 164 | 80.8 Ų | 80.8 | 77% | 0.766 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -119.5 | 125.7 | 174.9 | -61.2 | -150.2 | 2.6 | 0 | 0 | 111.2 | S139 | Q137-S139 PolarHBondContact O-N 3.28Å; Q137-S139 VanDerWaalsContact O-N 3.14Å |
| 138 | P | 51.4 | Low | 74.6 | Confident | 136 Ų | 136 | 83.2 Ų | 83.2 | 88% | 0.883 | 44% | 0.435 | S | S | * | . | trans | -68 | 110.3 | 171.5 | 26.4 | -29.7 | 0 | 0 | 0 | 109.2 | ||||
| 139 | S | 60 | Low | 74.6 | Confident | 76 Ų | 76 | 83.2 Ų | 83.2 | 53% | 0.531 | 44% | 0.439 | S | S | . | . | trans | -97.4 | 152.4 | 167.6 | 59.8 | 0 | 0 | 0 | 0 | 110.9 | Q137 E141 | Q137-S139 PolarHBondContact O-N 3.28Å; Q137-S139 VanDerWaalsContact O-N 3.14Å; S139-E141 VanDerWaalsContact C-N 3.32Å; S139-E141 PolarHBondContact OG-O 2.96Å | ||
| 140 | E | 58.4 | Low | 74.8 | Confident | 210 Ų | 210 | 86.3 Ų | 86.3 | 98% | 0.981 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -78.5 | -16.1 | 174.5 | -65.1 | -174.9 | 161 | 0 | 0 | 112.9 | ||
| 141 | E | 63.8 | Low | 75 | Confident | 164 Ų | 164 | 86 Ų | 86 | 77% | 0.766 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -88.8 | 154.5 | 175.6 | -66.2 | 179.2 | 175 | 0 | 0 | 111.6 | S139 P143 | S139-E141 VanDerWaalsContact C-N 3.32Å; S139-E141 PolarHBondContact OG-O 2.96Å; E141-P143 WeakPolarHBondContact O-CD 3.39Å |
| 142 | D | 70.4 | Confident | 75.5 | Confident | 102 Ų | 102 | 87.9 Ų | 87.9 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | trans | -59.8 | 107.2 | 174.2 | -172.9 | -11.7 | 0 | 0 | 0 | 108.8 | D144 E145 | D142-D144 PolarHBondContact O-N 2.99Å; D142-D144 VanDerWaalsContact O-N 3.08Å; D142-D144 PolarHBondContact OD1-N 2.94Å; D142-D144 VanDerWaalsContact OD1-N 3.14Å; D142-E145 PolarHBondContact O-N 3.09Å | ||
| 143 | P | 71.9 | Confident | 76.3 | Confident | 51 Ų | 51 | 89.5 Ų | 89.5 | 33% | 0.331 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.1 | -23.8 | -173.4 | 26.3 | -34.4 | 0 | 0 | 0 | 111.4 | L135 E141 E145 G146 I147 | L135-P143 HydrophobicContact CD2-CB 3.58Å; L135-P143 HydrophobicContact CD2-CG 3.81Å; E141-P143 WeakPolarHBondContact O-CD 3.39Å; P143-E145 PolarHBondContact O-N 3.41Å; P143-G146 PolarHBondContact O-N 3.19Å; P143-I147 VanDerWaalsContact O-CG1 3.32Å; P143-I147 WeakPolarHBondContact O-CG1 3.4Å; P143-I147 PolarHBondContact O-N 3.4Å |
| 144 | D | 84 | Confident | 77.3 | Confident | 43 Ų | 43 | 89 Ų | 89 | 23% | 0.23 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -70.9 | -30.4 | -176.7 | -73.6 | 5 | 0 | 0 | 0 | 112.5 | F127 K131 D142 I147 K148 | F127-D144 HydrophobicContact CE2-CB 4.42Å; F127-D144 HydrophobicContact CZ-CB 4.06Å; K131-D144 WeakPolarHBondContact CE-OD1 3.28Å; K131-D144 IonicContact NZ-OD1 3.59Å; K131-D144 PolarHBondContact NZ-OD1 3.15Å; K131-D144 IonicContact NZ-OD2 2.62Å; K131-D144 PolarHBondContact NZ-OD2 3.19Å; D142-D144 PolarHBondContact O-N 2.99Å; D142-D144 VanDerWaalsContact O-N 3.08Å; D142-D144 PolarHBondContact OD1-N 2.94Å; D142-D144 VanDerWaalsContact OD1-N 3.14Å; D144-I147 PolarHBondContact O-N 3.1Å; D144-K148 WeakPolarHBondContact O-CG 3.47Å; D144-K148 PolarHBondContact O-N 3.36Å |
| 145 | E | 86.1 | Confident | 78.5 | Confident | 95 Ų | 95 | 85.1 Ų | 85.1 | 44% | 0.444 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.1 | -42.7 | 175.8 | -70.2 | -58.2 | 134.2 | 0 | 0 | 111.4 | D142 P143 I147 K148 D149 | D142-E145 PolarHBondContact O-N 3.09Å; P143-E145 PolarHBondContact O-N 3.41Å; E145-I147 VanDerWaalsContact C-N 3.28Å; E145-I147 PolarHBondContact O-N 3.41Å; E145-K148 WeakPolarHBondContact O-CB 3.27Å; E145-K148 PolarHBondContact O-N 2.73Å; E145-K148 VanDerWaalsContact O-N 3.14Å; E145-K148 IonicContact OE1-NZ 2.9Å; E145-K148 PolarHBondContact OE1-NZ 3.24Å; E145-D149 PolarHBondContact O-N 2.9Å |
| 146 | G | 87.3 | Confident | 80.1 | Confident | 39 Ų | 39 | 90.3 Ų | 90.3 | 40% | 0.402 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.7 | -37.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P143 L150 | P143-G146 PolarHBondContact O-N 3.19Å; G146-L150 WeakPolarHBondContact O-CG 3.29Å; G146-L150 PolarHBondContact O-N 3.48Å; G146-L150 VanDerWaalsContact O-N 3.11Å |
| 147 | I | 90.5 | Very high | 82.1 | Confident | 9 Ų | 9 | 90 Ų | 90 | 5% | 0.046 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 174.8 | -58.4 | -60.5 | 0 | 0 | 0 | 111.4 | F127 L130 L134 P143 D144 E145 D149 L150 V151 | F127-I147 HydrophobicContact CD2-CB 4.09Å; F127-I147 HydrophobicContact CD2-CG2 3.45Å; F127-I147 VanDerWaalsContact CD2-CG2 3.45Å; F127-I147 HydrophobicContact CE2-CB 3.85Å; F127-I147 HydrophobicContact CE2-CG2 3.72Å; F127-I147 HydrophobicContact CG-CG2 4.07Å; L130-I147 HydrophobicContact CB-CD1 4.18Å; L130-I147 HydrophobicContact CB-CG2 3.82Å; L130-I147 HydrophobicContact CD1-CG2 4.49Å; L134-I147 HydrophobicContact CB-CD1 4.01Å; L134-I147 HydrophobicContact CD1-CD1 3.44Å; L134-I147 VanDerWaalsContact CD1-CD1 3.44Å; L134-I147 HydrophobicContact CG-CD1 4.3Å; P143-I147 VanDerWaalsContact O-CG1 3.32Å; P143-I147 WeakPolarHBondContact O-CG1 3.4Å; P143-I147 PolarHBondContact O-N 3.4Å; D144-I147 PolarHBondContact O-N 3.1Å; E145-I147 VanDerWaalsContact C-N 3.28Å; E145-I147 PolarHBondContact O-N 3.41Å; I147-D149 VanDerWaalsContact C-N 3.32Å; I147-D149 PolarHBondContact O-N 2.98Å; I147-L150 HydrophobicContact CD1-CD1 4.43Å; I147-L150 WeakPolarHBondContact O-CB 3.46Å; I147-L150 PolarHBondContact O-N 3.28Å; I147-V151 HydrophobicContact CG2-CG2 4.47Å; I147-V151 WeakPolarHBondContact O-CG2 3.24Å; I147-V151 PolarHBondContact O-N 3.34Å |
| 148 | K | 92.4 | Very high | 84.2 | Confident | 92 Ų | 92 | 82.2 Ų | 82.2 | 40% | 0.4 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 176.2 | -71.7 | 170.5 | -166.5 | 169 | 0 | 111.5 | F127 D144 E145 L150 V151 E152 | F127-K148 HydrophobicContact CD2-CG 4.26Å; F127-K148 HydrophobicContact CE2-CG 4Å; D144-K148 WeakPolarHBondContact O-CG 3.47Å; D144-K148 PolarHBondContact O-N 3.36Å; E145-K148 WeakPolarHBondContact O-CB 3.27Å; E145-K148 PolarHBondContact O-N 2.73Å; E145-K148 VanDerWaalsContact O-N 3.14Å; E145-K148 IonicContact OE1-NZ 2.9Å; E145-K148 PolarHBondContact OE1-NZ 3.24Å; K148-L150 VanDerWaalsContact C-N 3.31Å; K148-L150 PolarHBondContact O-N 2.98Å; K148-V151 WeakPolarHBondContact O-CB 3.4Å; K148-V151 PolarHBondContact O-N 3.02Å; K148-E152 PolarHBondContact O-N 3.44Å |
| 149 | D | 92.4 | Very high | 86.4 | Confident | 103 Ų | 103 | 76.3 Ų | 76.3 | 55% | 0.551 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.6 | -42 | 175.8 | -76.9 | -15.9 | 0 | 0 | 0 | 111.4 | E145 I147 V151 E152 I153 | E145-D149 PolarHBondContact O-N 2.9Å; I147-D149 VanDerWaalsContact C-N 3.32Å; I147-D149 PolarHBondContact O-N 2.98Å; D149-V151 PolarHBondContact O-N 3.47Å; D149-E152 PolarHBondContact O-N 3.34Å; D149-I153 WeakPolarHBondContact O-CB 3.29Å; D149-I153 WeakPolarHBondContact O-CD1 3.46Å; D149-I153 WeakPolarHBondContact O-CG1 3.45Å; D149-I153 PolarHBondContact O-N 3.42Å |
| 150 | L | 92.4 | Very high | 88.1 | Confident | 67 Ų | 67 | 77.1 Ų | 77.1 | 35% | 0.351 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 174.6 | -71 | 175.8 | 0 | 0 | 0 | 112.6 | L130 L134 G146 I147 K148 I153 T154 | L130-L150 HydrophobicContact CD1-CB 4.1Å; L134-L150 HydrophobicContact CD1-CD1 3.42Å; L134-L150 VanDerWaalsContact CD1-CD1 3.42Å; G146-L150 WeakPolarHBondContact O-CG 3.29Å; G146-L150 PolarHBondContact O-N 3.48Å; G146-L150 VanDerWaalsContact O-N 3.11Å; I147-L150 HydrophobicContact CD1-CD1 4.43Å; I147-L150 WeakPolarHBondContact O-CB 3.46Å; I147-L150 PolarHBondContact O-N 3.28Å; K148-L150 VanDerWaalsContact C-N 3.31Å; K148-L150 PolarHBondContact O-N 2.98Å; L150-I153 PolarHBondContact O-N 3.18Å; L150-T154 WeakPolarHBondContact O-CB 2.94Å; L150-T154 PolarHBondContact O-N 3.01Å; L150-T154 PolarHBondContact O-OG1 3.22Å |
| 151 | V | 95 | Very high | 89.9 | Confident | 5 Ų | 5 | 71.8 Ų | 71.8 | 3% | 0.03 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | K123 M126 F127 L130 I147 K148 D149 T154 L155 | K123-V151 HydrophobicContact CB-CG1 4.15Å; K123-V151 HydrophobicContact CG-CG1 4.1Å; M126-V151 HydrophobicContact CB-CG1 4.31Å; M126-V151 HydrophobicContact CB-CG2 3.9Å; M126-V151 HydrophobicContact SD-CG1 4.14Å; F127-V151 HydrophobicContact CB-CG2 4.16Å; L130-V151 HydrophobicContact CD1-CG2 3.93Å; I147-V151 HydrophobicContact CG2-CG2 4.47Å; I147-V151 WeakPolarHBondContact O-CG2 3.24Å; I147-V151 PolarHBondContact O-N 3.34Å; K148-V151 WeakPolarHBondContact O-CB 3.4Å; K148-V151 PolarHBondContact O-N 3.02Å; D149-V151 PolarHBondContact O-N 3.47Å; V151-T154 PolarHBondContact O-N 3.31Å; V151-L155 HydrophobicContact CG1-CD1 4.42Å; V151-L155 PolarHBondContact O-N 3.47Å |
| 152 | E | 95.8 | Very high | 91.5 | Very high | 95 Ų | 95 | 71.1 Ų | 71.1 | 44% | 0.444 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 179 | -65.6 | -58 | 143.3 | 0 | 0 | 112.4 | K123 K148 D149 T154 K156 | K123-E152 IonicContact NZ-OE1 3.19Å; K123-E152 PolarHBondContact NZ-OE1 3.2Å; K123-E152 IonicContact NZ-OE2 2.74Å; K123-E152 PolarHBondContact NZ-OE2 3.1Å; K148-E152 PolarHBondContact O-N 3.44Å; D149-E152 PolarHBondContact O-N 3.34Å; E152-T154 VanDerWaalsContact C-N 3.35Å; E152-K156 WeakPolarHBondContact O-CB 3.31Å; E152-K156 PolarHBondContact O-N 3.26Å |
| 153 | I | 94.6 | Very high | 92.8 | Very high | 106 Ų | 106 | 69.7 Ų | 69.7 | 54% | 0.544 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 173.2 | -70.7 | 164 | 0 | 0 | 0 | 110.5 | D149 L150 K156 K157 | D149-I153 WeakPolarHBondContact O-CB 3.29Å; D149-I153 WeakPolarHBondContact O-CD1 3.46Å; D149-I153 WeakPolarHBondContact O-CG1 3.45Å; D149-I153 PolarHBondContact O-N 3.42Å; L150-I153 PolarHBondContact O-N 3.18Å; I153-K156 PolarHBondContact O-N 2.68Å; I153-K157 WeakPolarHBondContact O-CB 3.4Å; I153-K157 PolarHBondContact O-N 3.49Å |
| 154 | T | 95.3 | Very high | 94 | Very high | 21 Ų | 21 | 68.4 Ų | 68.4 | 13% | 0.129 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.7 | -47 | 179.4 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | M126 L150 V151 E152 K156 K157 M158 L166 F185 | M126-T154 HydrophobicContact SD-CG2 4.27Å; L150-T154 WeakPolarHBondContact O-CB 2.94Å; L150-T154 PolarHBondContact O-N 3.01Å; L150-T154 PolarHBondContact O-OG1 3.22Å; V151-T154 PolarHBondContact O-N 3.31Å; E152-T154 VanDerWaalsContact C-N 3.35Å; T154-K156 PolarHBondContact O-N 2.85Å; T154-K157 PolarHBondContact O-N 2.94Å; T154-K157 VanDerWaalsContact O-N 3.11Å; T154-M158 HydrophobicContact CG2-CG 4.25Å; T154-M158 HydrophobicContact CG2-SD 3.6Å; T154-M158 VanDerWaalsContact CG2-SD 3.6Å; T154-M158 WeakPolarHBondContact O-CB 3.17Å; T154-M158 WeakPolarHBondContact O-CG 3.4Å; T154-M158 PolarHBondContact O-N 3.29Å; T154-L166 HydrophobicContact CG2-CD1 4.4Å; T154-F185 HydrophobicContact CG2-CE1 3.56Å; T154-F185 HydrophobicContact CG2-CZ 3.54Å |
| 155 | L | 96.9 | Very high | 94.6 | Very high | 9 Ų | 9 | 69.5 Ų | 69.5 | 5% | 0.047 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59 | -49.7 | 175.1 | -77.7 | 172.4 | 0 | 0 | 0 | 111.4 | K123 M126 V151 K157 M158 D159 L166 | K123-L155 HydrophobicContact CD-CD1 3.92Å; K123-L155 HydrophobicContact CG-CD1 3.68Å; M126-L155 HydrophobicContact CE-CD2 3.7Å; M126-L155 HydrophobicContact CE-CG 4.23Å; M126-L155 HydrophobicContact SD-CD2 4.39Å; M126-L155 HydrophobicContact SD-CG 4.28Å; V151-L155 HydrophobicContact CG1-CD1 4.42Å; V151-L155 PolarHBondContact O-N 3.47Å; L155-K157 PolarHBondContact O-N 2.7Å; L155-M158 PolarHBondContact O-N 2.99Å; L155-M158 VanDerWaalsContact O-N 3.17Å; L155-D159 HydrophobicContact CB-CB 4.35Å; L155-D159 HydrophobicContact CD2-CB 3.87Å; L155-D159 WeakPolarHBondContact O-CB 3.36Å; L155-D159 PolarHBondContact O-N 2.96Å; L155-L166 HydrophobicContact CD2-CD2 4.2Å; L155-L166 HydrophobicContact CD2-CG 4.43Å |
| 156 | K | 96.2 | Very high | 95.2 | Very high | 190 Ų | 190 | 65 Ų | 65 | 83% | 0.826 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -55.8 | -28.6 | 177.9 | -174.1 | 177.8 | 179.5 | -178 | 0 | 113.3 | E152 I153 T154 | E152-K156 WeakPolarHBondContact O-CB 3.31Å; E152-K156 PolarHBondContact O-N 3.26Å; I153-K156 PolarHBondContact O-N 2.68Å; T154-K156 PolarHBondContact O-N 2.85Å |
| 157 | K | 95.6 | Very high | 95.7 | Very high | 113 Ų | 113 | 64 Ų | 64 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -88.6 | -35.8 | -178.8 | -177.9 | 64.9 | 175.4 | -171.9 | 0 | 113.1 | I153 T154 L155 E178 L181 | I153-K157 WeakPolarHBondContact O-CB 3.4Å; I153-K157 PolarHBondContact O-N 3.49Å; T154-K157 PolarHBondContact O-N 2.94Å; T154-K157 VanDerWaalsContact O-N 3.11Å; L155-K157 PolarHBondContact O-N 2.7Å; K157-E178 WeakPolarHBondContact CE-OE2 3.36Å; K157-E178 IonicContact NZ-OE2 3.59Å; K157-E178 PolarHBondContact NZ-OE2 3.48Å; K157-L181 HydrophobicContact CG-CD1 4.18Å |
| 158 | M | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -112 | -31.7 | -167.4 | -58.5 | -176.4 | 71 | 0 | 0 | 113.7 | T154 L155 Q160 L166 D170 Y171 A174 L181 A184 | T154-M158 HydrophobicContact CG2-CG 4.25Å; T154-M158 HydrophobicContact CG2-SD 3.6Å; T154-M158 VanDerWaalsContact CG2-SD 3.6Å; T154-M158 WeakPolarHBondContact O-CB 3.17Å; T154-M158 WeakPolarHBondContact O-CG 3.4Å; T154-M158 PolarHBondContact O-N 3.29Å; L155-M158 PolarHBondContact O-N 2.99Å; L155-M158 VanDerWaalsContact O-N 3.17Å; M158-Q160 PolarHBondContact O-N 2.71Å; M158-L166 HydrophobicContact CB-CD1 3.99Å; M158-L166 HydrophobicContact CB-CD2 3.58Å; M158-L166 HydrophobicContact CB-CG 4.46Å; M158-L166 HydrophobicContact CE-CD1 4.29Å; M158-L166 HydrophobicContact SD-CD1 4.15Å; M158-D170 WeakPolarHBondContact O-CB 3.42Å; M158-Y171 HydrophobicContact CE-CD2 3.49Å; M158-Y171 VanDerWaalsContact CE-CD2 3.49Å; M158-Y171 HydrophobicContact CE-CE2 4.07Å; M158-Y171 HydrophobicContact CE-CG 4.34Å; M158-A174 HydrophobicContact CB-CB 4.01Å; M158-A174 HydrophobicContact CE-CB 3.85Å; M158-A174 HydrophobicContact CG-CB 3.77Å; M158-L181 HydrophobicContact CE-CB 4.35Å; M158-L181 HydrophobicContact CG-CD1 4.2Å; M158-L181 HydrophobicContact SD-CD1 4.37Å; M158-A184 HydrophobicContact SD-CB 4.5Å |
| 159 | D | 97.9 | Very high | 96.4 | Very high | 11 Ų | 11 | 65.7 Ų | 65.7 | 6% | 0.059 | 33% | 0.329 | C | S | . | . | trans | -77.1 | 99.6 | -177.4 | 178.1 | 2 | 0 | 0 | 0 | 110.6 | L155 H162 D163 G164 L166 | L155-D159 HydrophobicContact CB-CB 4.35Å; L155-D159 HydrophobicContact CD2-CB 3.87Å; L155-D159 WeakPolarHBondContact O-CB 3.36Å; L155-D159 PolarHBondContact O-N 2.96Å; D159-H162 PolarHBondContact O-CE1 3.43Å; D159-H162 VanDerWaalsContact O-CE1 3.3Å; D159-H162 PolarHBondContact O-ND1 2.92Å; D159-H162 WeakPolarHBondContact OD1-CA 3.4Å; D159-H162 PolarHBondContact OD1-N 3.37Å; D159-H162 WeakPolarHBondContact OD2-CA 3.32Å; D159-D163 PolarHBondContact OD1-N 2.91Å; D159-G164 WeakPolarHBondContact OD2-CA 3.42Å; D159-G164 PolarHBondContact OD2-N 3.22Å; D159-L166 HydrophobicContact CB-CD2 3.79Å | ||
| 160 | Q | 95.8 | Very high | 96.7 | Very high | 93 Ų | 93 | 61 Ų | 61 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -83.4 | -33.2 | -173.4 | -56.1 | -166.9 | -24.1 | 0 | 0 | 112.9 | M158 D170 N173 | M158-Q160 PolarHBondContact O-N 2.71Å; Q160-D170 VanDerWaalsContact CB-OD1 3.3Å; Q160-D170 WeakPolarHBondContact CB-OD1 3.3Å; Q160-D170 PolarHBondContact N-OD1 3.39Å; Q160-D170 VanDerWaalsContact N-OD1 3.07Å; Q160-N173 VanDerWaalsContact NE2-CB 3.27Å; Q160-N173 PolarHBondContact OE1-ND2 3.47Å |
| 161 | D | 97.1 | Very high | 97 | Very high | 99 Ų | 99 | 57.9 Ų | 57.9 | 53% | 0.529 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -92.6 | -6.2 | -178.8 | 73.4 | 4.5 | 0 | 0 | 0 | 113.4 | D163 | D161-D163 VanDerWaalsContact C-N 3.3Å; D161-D163 PolarHBondContact O-N 3.11Å; D161-D163 WeakPolarHBondContact OD1-CB 3.34Å; D161-D163 VanDerWaalsContact OD1-CG 3.3Å; D161-D163 PolarHBondContact OD1-N 3.34Å |
| 162 | H | 96.6 | Very high | 97.1 | Very high | 150 Ų | 150 | 59.1 Ų | 59.1 | 69% | 0.694 | 29% | 0.293 | S | S | * | . | trans | 62.4 | 34.3 | 175.2 | -54.7 | -42.9 | 0 | 0 | 0 | 113.1 | D159 G164 | D159-H162 PolarHBondContact O-CE1 3.43Å; D159-H162 VanDerWaalsContact O-CE1 3.3Å; D159-H162 PolarHBondContact O-ND1 2.92Å; D159-H162 WeakPolarHBondContact OD1-CA 3.4Å; D159-H162 PolarHBondContact OD1-N 3.37Å; D159-H162 WeakPolarHBondContact OD2-CA 3.32Å; H162-G164 VanDerWaalsContact C-N 3.29Å | ||
| 163 | D | 97.2 | Very high | 97.2 | Very high | 72 Ų | 72 | 56.9 Ų | 56.9 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -84.2 | -4.5 | 176.3 | 84 | -8.3 | 0 | 0 | 0 | 113.4 | D159 D161 K165 | D159-D163 PolarHBondContact OD1-N 2.91Å; D161-D163 VanDerWaalsContact C-N 3.3Å; D161-D163 PolarHBondContact O-N 3.11Å; D161-D163 WeakPolarHBondContact OD1-CB 3.34Å; D161-D163 VanDerWaalsContact OD1-CG 3.3Å; D161-D163 PolarHBondContact OD1-N 3.34Å; D163-K165 VanDerWaalsContact CG-CG 3.49Å; D163-K165 WeakPolarHBondContact OD1-CG 3.29Å; D163-K165 PolarHBondContact OD1-N 3.5Å; D163-K165 VanDerWaalsContact OD1-O 3.08Å; D163-K165 WeakPolarHBondContact OD2-CE 3.43Å; D163-K165 WeakPolarHBondContact OD2-CG 3.26Å; D163-K165 IonicContact OD2-NZ 2.69Å |
| 164 | G | 96.9 | Very high | 97.4 | Very high | 24 Ų | 24 | 52 Ų | 52 | 25% | 0.247 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 86.1 | 9.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D159 H162 | D159-G164 WeakPolarHBondContact OD2-CA 3.42Å; D159-G164 PolarHBondContact OD2-N 3.22Å; H162-G164 VanDerWaalsContact C-N 3.29Å |
| 165 | K | 97.7 | Very high | 97.5 | Very high | 65 Ų | 65 | 51 Ų | 51 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -139.9 | 173.5 | 174.2 | 53.2 | -179.3 | -174.3 | 161.9 | 0 | 108.9 | F120 I121 D163 | F120-K165 HydrophobicContact CB-CB 4.41Å; F120-K165 HydrophobicContact CB-CD 3.8Å; F120-K165 HydrophobicContact CB-CG 4.34Å; F120-K165 HydrophobicContact CD1-CD 3.57Å; F120-K165 HydrophobicContact CD1-CG 3.94Å; F120-K165 HydrophobicContact CD2-CD 4.41Å; F120-K165 HydrophobicContact CE1-CD 4.24Å; F120-K165 VanDerWaalsContact CE1-NZ 3.31Å; F120-K165 HydrophobicContact CG-CD 3.67Å; F120-K165 HydrophobicContact CG-CG 4.39Å; F120-K165 VanDerWaalsContact CZ-NZ 3.31Å; I121-K165 WeakPolarHBondContact O-CA 3.37Å; D163-K165 VanDerWaalsContact CG-CG 3.49Å; D163-K165 WeakPolarHBondContact OD1-CG 3.29Å; D163-K165 PolarHBondContact OD1-N 3.5Å; D163-K165 VanDerWaalsContact OD1-O 3.08Å; D163-K165 WeakPolarHBondContact OD2-CE 3.43Å; D163-K165 WeakPolarHBondContact OD2-CG 3.26Å; D163-K165 IonicContact OD2-NZ 2.69Å |
| 166 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 116.7 | 177.2 | -57.7 | 176.1 | 0 | 0 | 0 | 110.2 | F120 I121 M126 T154 L155 M158 D159 D170 F185 | F120-L166 CarbonylContact C-O 3.52Å; F120-L166 VanDerWaalsContact CA-O 3.25Å; F120-L166 WeakPolarHBondContact CA-O 3.25Å; I121-L166 HydrophobicContact CB-CB 4.24Å; I121-L166 PolarHBondContact N-O 2.94Å; I121-L166 PolarHBondContact O-N 3.46Å; M126-L166 HydrophobicContact CE-CB 4.4Å; M126-L166 HydrophobicContact CE-CD1 3.65Å; M126-L166 HydrophobicContact CE-CG 3.54Å; T154-L166 HydrophobicContact CG2-CD1 4.4Å; L155-L166 HydrophobicContact CD2-CD2 4.2Å; L155-L166 HydrophobicContact CD2-CG 4.43Å; M158-L166 HydrophobicContact CB-CD1 3.99Å; M158-L166 HydrophobicContact CB-CD2 3.58Å; M158-L166 HydrophobicContact CB-CG 4.46Å; M158-L166 HydrophobicContact CE-CD1 4.29Å; M158-L166 HydrophobicContact SD-CD1 4.15Å; D159-L166 HydrophobicContact CB-CD2 3.79Å; L166-D170 HydrophobicContact CB-CB 4.47Å; L166-D170 HydrophobicContact CD2-CB 4.17Å; L166-F185 HydrophobicContact CD1-CE2 4.17Å; L166-F185 HydrophobicContact CD1-CZ 3.73Å |
| 167 | S | 98.6 | Very high | 97.5 | Very high | 19 Ų | 19 | 54.7 Ų | 54.7 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 166.2 | 163.3 | 76.5 | 0 | 0 | 0 | 0 | 110.6 | T169 D170 Y171 | S167-T169 PolarHBondContact O-N 3.27Å; S167-T169 PolarHBondContact OG-N 2.91Å; S167-D170 VanDerWaalsContact CB-OD2 3.24Å; S167-D170 WeakPolarHBondContact CB-OD2 3.34Å; S167-D170 PolarHBondContact N-OD2 3.49Å; S167-D170 PolarHBondContact O-N 2.99Å; S167-D170 PolarHBondContact OG-N 3.43Å; S167-D170 PolarHBondContact OG-OD2 2.97Å; S167-Y171 PolarHBondContact O-N 3.37Å; S167-Y171 VanDerWaalsContact O-N 3.1Å |
| 168 | Y | 98.3 | Very high | 97.6 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57 | -33.2 | 171.2 | 176.9 | -99.2 | 0 | 0 | 0 | 112 | K107 F110 E172 | K107-Y168 HydrophobicContact CB-CE2 4.38Å; K107-Y168 HydrophobicContact CG-CE2 3.69Å; K107-Y168 VanDerWaalsContact CG-OH 3.29Å; K107-Y168 WeakPolarHBondContact CG-OH 3.4Å; F110-Y168 HydrophobicContact CB-CD2 3.94Å; F110-Y168 HydrophobicContact CB-CE2 4.38Å; F110-Y168 HydrophobicContact CD1-CD2 4.05Å; F110-Y168 HydrophobicContact CD2-CD2 4.15Å; F110-Y168 AromaticContact CG-CD2 3.77Å; F110-Y168 HydrophobicContact CG-CD2 3.77Å; Y168-E172 HydrophobicContact CD1-CB 4.46Å; Y168-E172 HydrophobicContact CE1-CB 4.03Å; Y168-E172 HydrophobicContact CE1-CG 4.16Å; Y168-E172 WeakPolarHBondContact CE1-OE1 3.36Å; Y168-E172 WeakPolarHBondContact O-CB 3.4Å; Y168-E172 PolarHBondContact O-N 3.25Å; Y168-E172 PolarHBondContact OH-OE1 3.42Å |
| 169 | T | 98.4 | Very high | 97.5 | Very high | 81 Ų | 81 | 56.7 Ų | 56.7 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.6 | -44.5 | 179.6 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | S167 E172 N173 | S167-T169 PolarHBondContact O-N 3.27Å; S167-T169 PolarHBondContact OG-N 2.91Å; T169-E172 PolarHBondContact O-N 3.19Å; T169-N173 WeakPolarHBondContact O-CB 3.48Å; T169-N173 PolarHBondContact O-N 2.99Å; T169-N173 PolarHBondContact O-ND2 3.22Å |
| 170 | D | 98.4 | Very high | 97.3 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.027 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.2 | -51.9 | 176.2 | -64.8 | -55.5 | 0 | 0 | 0 | 110.7 | M158 Q160 L166 S167 N173 A174 | M158-D170 WeakPolarHBondContact O-CB 3.42Å; Q160-D170 VanDerWaalsContact CB-OD1 3.3Å; Q160-D170 WeakPolarHBondContact CB-OD1 3.3Å; Q160-D170 PolarHBondContact N-OD1 3.39Å; Q160-D170 VanDerWaalsContact N-OD1 3.07Å; L166-D170 HydrophobicContact CB-CB 4.47Å; L166-D170 HydrophobicContact CD2-CB 4.17Å; S167-D170 VanDerWaalsContact CB-OD2 3.24Å; S167-D170 WeakPolarHBondContact CB-OD2 3.34Å; S167-D170 PolarHBondContact N-OD2 3.49Å; S167-D170 PolarHBondContact O-N 2.99Å; S167-D170 PolarHBondContact OG-N 3.43Å; S167-D170 PolarHBondContact OG-OD2 2.97Å; D170-N173 PolarHBondContact O-N 2.85Å; D170-A174 WeakPolarHBondContact O-CB 3.16Å; D170-A174 PolarHBondContact O-N 3.49Å |
| 171 | Y | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.5 | -50.3 | 178.3 | 174.6 | -95.5 | 0 | 0 | 0 | 112.2 | M106 C109 F110 F113 M158 S167 N173 A174 V175 L182 | M106-Y171 HydrophobicContact CB-CE1 4.1Å; M106-Y171 HydrophobicContact CG-CE1 4.34Å; M106-Y171 WeakPolarHBondContact O-CE1 3.39Å; C109-Y171 VanDerWaalsContact CB-OH 3.24Å; C109-Y171 WeakPolarHBondContact CB-OH 3.41Å; F110-Y171 HydrophobicContact CB-CD1 4.09Å; F110-Y171 HydrophobicContact CB-CE1 4.12Å; F110-Y171 AromaticContact CD2-CD1 3.85Å; F110-Y171 HydrophobicContact CD2-CD1 3.85Å; F110-Y171 HydrophobicContact CD2-CD2 4.44Å; F110-Y171 AromaticContact CD2-CG 3.76Å; F110-Y171 HydrophobicContact CD2-CG 3.76Å; F110-Y171 HydrophobicContact CG-CD1 4.42Å; F113-Y171 HydrophobicContact CD2-CE2 4.34Å; F113-Y171 HydrophobicContact CE2-CE2 4.29Å; M158-Y171 HydrophobicContact CE-CD2 3.49Å; M158-Y171 VanDerWaalsContact CE-CD2 3.49Å; M158-Y171 HydrophobicContact CE-CE2 4.07Å; M158-Y171 HydrophobicContact CE-CG 4.34Å; S167-Y171 PolarHBondContact O-N 3.37Å; S167-Y171 VanDerWaalsContact O-N 3.1Å; Y171-N173 PolarHBondContact O-N 2.9Å; Y171-A174 PolarHBondContact O-N 2.79Å; Y171-V175 HydrophobicContact CD1-CG2 4.39Å; Y171-V175 HydrophobicContact CD2-CG2 4.22Å; Y171-V175 HydrophobicContact CE1-CG2 4Å; Y171-V175 HydrophobicContact CE2-CG2 3.8Å; Y171-V175 HydrophobicContact CG-CG2 4.49Å; Y171-V175 VanDerWaalsContact O-CG2 3.28Å; Y171-V175 WeakPolarHBondContact O-CG2 3.21Å; Y171-V175 PolarHBondContact O-N 2.77Å; Y171-L182 PolarHBondContact OH-O 3.3Å |
| 172 | E | 98.3 | Very high | 97.3 | Very high | 32 Ų | 32 | 56.5 Ų | 56.5 | 15% | 0.15 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -43.4 | -177.9 | -171.4 | -173.3 | -131.2 | 0 | 0 | 111.7 | M106 Y168 T169 R176 | M106-E172 HydrophobicContact CE-CG 3.77Å; M106-E172 HydrophobicContact SD-CG 3.86Å; Y168-E172 HydrophobicContact CD1-CB 4.46Å; Y168-E172 HydrophobicContact CE1-CB 4.03Å; Y168-E172 HydrophobicContact CE1-CG 4.16Å; Y168-E172 WeakPolarHBondContact CE1-OE1 3.36Å; Y168-E172 WeakPolarHBondContact O-CB 3.4Å; Y168-E172 PolarHBondContact O-N 3.25Å; Y168-E172 PolarHBondContact OH-OE1 3.42Å; T169-E172 PolarHBondContact O-N 3.19Å; E172-R176 VanDerWaalsContact CG-NH1 3.33Å; E172-R176 WeakPolarHBondContact O-CB 3.29Å; E172-R176 WeakPolarHBondContact O-CG 3.41Å; E172-R176 PolarHBondContact O-N 3.1Å; E172-R176 IonicContact OE1-CZ 3.76Å; E172-R176 IonicContact OE1-NH1 2.7Å; E172-R176 IonicContact OE1-NH2 3.71Å; E172-R176 PolarHBondContact OE1-NH2 3.15Å; E172-R176 IonicContact OE2-CZ 3.97Å; E172-R176 IonicContact OE2-NH1 3.49Å; E172-R176 PolarHBondContact OE2-NH1 3.33Å; E172-R176 IonicContact OE2-NH2 2.68Å; E172-R176 PolarHBondContact OE2-NH2 3.14Å |
| 173 | N | 97.9 | Very high | 97.2 | Very high | 48 Ų | 48 | 52.3 Ų | 52.3 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 177.4 | -71.5 | -20.4 | 0 | 0 | 0 | 111.1 | Q160 T169 D170 Y171 V175 R176 E177 | Q160-N173 VanDerWaalsContact NE2-CB 3.27Å; Q160-N173 PolarHBondContact OE1-ND2 3.47Å; T169-N173 WeakPolarHBondContact O-CB 3.48Å; T169-N173 PolarHBondContact O-N 2.99Å; T169-N173 PolarHBondContact O-ND2 3.22Å; D170-N173 PolarHBondContact O-N 2.85Å; Y171-N173 PolarHBondContact O-N 2.9Å; N173-V175 PolarHBondContact O-N 2.87Å; N173-R176 PolarHBondContact O-N 3.39Å; N173-E177 PolarHBondContact O-N 3.02Å; N173-E177 VanDerWaalsContact O-N 3.08Å |
| 174 | A | 97.7 | Very high | 97 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 3% | 0.033 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M158 D170 Y171 E177 E178 L181 | M158-A174 HydrophobicContact CB-CB 4.01Å; M158-A174 HydrophobicContact CE-CB 3.85Å; M158-A174 HydrophobicContact CG-CB 3.77Å; D170-A174 WeakPolarHBondContact O-CB 3.16Å; D170-A174 PolarHBondContact O-N 3.49Å; Y171-A174 PolarHBondContact O-N 2.79Å; A174-E177 PolarHBondContact O-N 3.4Å; A174-E178 PolarHBondContact O-N 3.41Å; A174-L181 HydrophobicContact CB-CD1 4.11Å |
| 175 | V | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.6 | -32.3 | 178.2 | 176 | 0 | 0 | 0 | 0 | 112.3 | L102 M106 Y171 N173 E177 E178 T179 L181 L182 | L102-V175 HydrophobicContact CD1-CG1 4.27Å; M106-V175 HydrophobicContact CG-CB 4.2Å; M106-V175 HydrophobicContact CG-CG1 3.72Å; M106-V175 HydrophobicContact SD-CB 3.81Å; M106-V175 HydrophobicContact SD-CG1 3.69Å; Y171-V175 HydrophobicContact CD1-CG2 4.39Å; Y171-V175 HydrophobicContact CD2-CG2 4.22Å; Y171-V175 HydrophobicContact CE1-CG2 4Å; Y171-V175 HydrophobicContact CE2-CG2 3.8Å; Y171-V175 HydrophobicContact CG-CG2 4.49Å; Y171-V175 VanDerWaalsContact O-CG2 3.28Å; Y171-V175 WeakPolarHBondContact O-CG2 3.21Å; Y171-V175 PolarHBondContact O-N 2.77Å; N173-V175 PolarHBondContact O-N 2.87Å; V175-E177 VanDerWaalsContact C-N 3.34Å; V175-E178 CarbonylContact O-C 3.39Å; V175-E178 PolarHBondContact O-N 3.19Å; V175-T179 VanDerWaalsContact O-CA 3.27Å; V175-T179 WeakPolarHBondContact O-CA 3.43Å; V175-T179 PolarHBondContact O-N 3.13Å; V175-T179 VanDerWaalsContact O-N 3.13Å; V175-L181 HydrophobicContact CG2-CB 4.1Å; V175-L182 HydrophobicContact CG1-CB 3.95Å; V175-L182 HydrophobicContact CG1-CD1 4.07Å |
| 176 | R | 97.3 | Very high | 96.5 | Very high | 122 Ų | 122 | 46.3 Ų | 46.3 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.9 | -35.1 | 173.7 | -78.6 | -174.8 | -179.7 | 121.8 | 9.8 | 112.6 | M106 E172 N173 | M106-R176 HydrophobicContact CE-CG 4.31Å; M106-R176 HydrophobicContact SD-CG 4.29Å; E172-R176 VanDerWaalsContact CG-NH1 3.33Å; E172-R176 WeakPolarHBondContact O-CB 3.29Å; E172-R176 WeakPolarHBondContact O-CG 3.41Å; E172-R176 PolarHBondContact O-N 3.1Å; E172-R176 IonicContact OE1-CZ 3.76Å; E172-R176 IonicContact OE1-NH1 2.7Å; E172-R176 IonicContact OE1-NH2 3.71Å; E172-R176 PolarHBondContact OE1-NH2 3.15Å; E172-R176 IonicContact OE2-CZ 3.97Å; E172-R176 IonicContact OE2-NH1 3.49Å; E172-R176 PolarHBondContact OE2-NH1 3.33Å; E172-R176 IonicContact OE2-NH2 2.68Å; E172-R176 PolarHBondContact OE2-NH2 3.14Å; N173-R176 PolarHBondContact O-N 3.39Å |
| 177 | E | 96.8 | Very high | 96.2 | Very high | 153 Ų | 153 | 50.4 Ų | 50.4 | 72% | 0.715 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -73.5 | -40 | 173.9 | -69.6 | -176.9 | -179.3 | 0 | 0 | 111.6 | N173 A174 V175 | N173-E177 PolarHBondContact O-N 3.02Å; N173-E177 VanDerWaalsContact O-N 3.08Å; A174-E177 PolarHBondContact O-N 3.4Å; V175-E177 VanDerWaalsContact C-N 3.34Å |
| 178 | E | 96.5 | Very high | 96 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | trans | -139.8 | 92.8 | -176.7 | -171.1 | 169.3 | 175.4 | 0 | 0 | 111 | K157 A174 V175 L180 L181 | K157-E178 WeakPolarHBondContact CE-OE2 3.36Å; K157-E178 IonicContact NZ-OE2 3.59Å; K157-E178 PolarHBondContact NZ-OE2 3.48Å; A174-E178 PolarHBondContact O-N 3.41Å; V175-E178 CarbonylContact O-C 3.39Å; V175-E178 PolarHBondContact O-N 3.19Å; E178-L180 HydrophobicContact CG-CB 4.41Å; E178-L180 PolarHBondContact O-N 2.89Å; E178-L181 HydrophobicContact CB-CD1 3.99Å; E178-L181 HydrophobicContact CB-CG 4.18Å; E178-L181 HydrophobicContact CG-CD1 4.45Å; E178-L181 HydrophobicContact CG-CG 4.21Å; E178-L181 WeakPolarHBondContact O-CB 3.48Å; E178-L181 PolarHBondContact O-N 3.21Å | ||
| 179 | T | 95.3 | Very high | 95.9 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 52% | 0.515 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -58.4 | -20.5 | -175.8 | -55.8 | 0 | 0 | 0 | 0 | 114.2 | L102 V175 L181 L182 | L102-T179 HydrophobicContact CD1-CG2 4.22Å; V175-T179 VanDerWaalsContact O-CA 3.27Å; V175-T179 WeakPolarHBondContact O-CA 3.43Å; V175-T179 PolarHBondContact O-N 3.13Å; V175-T179 VanDerWaalsContact O-N 3.13Å; T179-L181 PolarHBondContact O-N 3.02Å; T179-L182 VanDerWaalsContact O-CB 3.28Å; T179-L182 WeakPolarHBondContact O-CB 3.43Å; T179-L182 PolarHBondContact O-N 2.87Å; T179-L182 VanDerWaalsContact O-N 3.17Å |
| 180 | L | 94.3 | Very high | 95.7 | Very high | 154 Ų | 154 | 44 Ų | 44 | 81% | 0.806 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -63.8 | -19.8 | 174.4 | -66.4 | 173.8 | 0 | 0 | 0 | 112.9 | E178 L182 | E178-L180 HydrophobicContact CG-CB 4.41Å; E178-L180 PolarHBondContact O-N 2.89Å; L180-L182 PolarHBondContact O-N 3.43Å |
| 181 | L | 96.1 | Very high | 95.4 | Very high | 28 Ų | 28 | 47 Ų | 47 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -77.9 | -5.5 | 177.2 | -61 | 176.8 | 0 | 0 | 0 | 113.5 | K157 M158 A174 V175 E178 T179 E183 A184 | K157-L181 HydrophobicContact CG-CD1 4.18Å; M158-L181 HydrophobicContact CE-CB 4.35Å; M158-L181 HydrophobicContact CG-CD1 4.2Å; M158-L181 HydrophobicContact SD-CD1 4.37Å; A174-L181 HydrophobicContact CB-CD1 4.11Å; V175-L181 HydrophobicContact CG2-CB 4.1Å; E178-L181 HydrophobicContact CB-CD1 3.99Å; E178-L181 HydrophobicContact CB-CG 4.18Å; E178-L181 HydrophobicContact CG-CD1 4.45Å; E178-L181 HydrophobicContact CG-CG 4.21Å; E178-L181 WeakPolarHBondContact O-CB 3.48Å; E178-L181 PolarHBondContact O-N 3.21Å; T179-L181 PolarHBondContact O-N 3.02Å; L181-E183 PolarHBondContact O-N 3.21Å; L181-E183 VanDerWaalsContact O-N 3.12Å; L181-A184 HydrophobicContact CD2-CB 4.46Å; L181-A184 VanDerWaalsContact O-CB 3.28Å; L181-A184 WeakPolarHBondContact O-CB 3.47Å; L181-A184 PolarHBondContact O-N 3.2Å; L181-A184 VanDerWaalsContact O-N 3.12Å |
| 182 | L | 97.1 | Very high | 95.2 | Very high | 17 Ų | 17 | 51.6 Ų | 51.6 | 9% | 0.089 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -56.2 | -30.9 | -179.1 | 178.6 | 65.4 | 0 | 0 | 0 | 113.1 | L102 K105 M106 C109 Y171 V175 T179 L180 L189 | L102-L182 HydrophobicContact CD1-CD1 4.4Å; L102-L182 HydrophobicContact CD1-CD2 4.26Å; K105-L182 HydrophobicContact CB-CD1 4.2Å; K105-L182 HydrophobicContact CB-CD2 4.19Å; M106-L182 HydrophobicContact CB-CD1 4.49Å; M106-L182 HydrophobicContact CG-CD1 3.87Å; C109-L182 HydrophobicContact CB-CD1 4.39Å; C109-L182 WeakPolarHBondContact CB-O 3.42Å; C109-L182 PolarHBondContact SG-O 3.48Å; Y171-L182 PolarHBondContact OH-O 3.3Å; V175-L182 HydrophobicContact CG1-CB 3.95Å; V175-L182 HydrophobicContact CG1-CD1 4.07Å; T179-L182 VanDerWaalsContact O-CB 3.28Å; T179-L182 WeakPolarHBondContact O-CB 3.43Å; T179-L182 PolarHBondContact O-N 2.87Å; T179-L182 VanDerWaalsContact O-N 3.17Å; L180-L182 PolarHBondContact O-N 3.43Å; L182-L189 HydrophobicContact CD2-CD1 3.98Å; L182-L189 HydrophobicContact CG-CD1 4.5Å |
| 183 | E | 94.9 | Very high | 95 | Very high | 63 Ų | 63 | 56.7 Ų | 56.7 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -122.7 | 33.2 | 180 | -62.7 | -174.8 | 89.6 | 0 | 0 | 111.1 | L181 F185 G186 P187 C188 L189 | L181-E183 PolarHBondContact O-N 3.21Å; L181-E183 VanDerWaalsContact O-N 3.12Å; E183-F185 PolarHBondContact O-N 2.88Å; E183-G186 PolarHBondContact O-N 3.4Å; E183-P187 VanDerWaalsContact OE1-CA 3.25Å; E183-P187 WeakPolarHBondContact OE1-CA 3.22Å; E183-C188 PolarHBondContact OE1-N 3.18Å; E183-L189 WeakPolarHBondContact OE1-CB 3.46Å; E183-L189 PolarHBondContact OE1-N 2.86Å |
| 184 | A | 92.8 | Very high | 94.9 | Very high | 28 Ų | 28 | 54.7 Ų | 54.7 | 23% | 0.231 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -29.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | M158 L181 | M158-A184 HydrophobicContact SD-CB 4.5Å; L181-A184 HydrophobicContact CD2-CB 4.46Å; L181-A184 VanDerWaalsContact O-CB 3.28Å; L181-A184 WeakPolarHBondContact O-CB 3.47Å; L181-A184 PolarHBondContact O-N 3.2Å; L181-A184 VanDerWaalsContact O-N 3.12Å |
| 185 | F | 92.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 1.3 | -177.4 | -52.5 | -67.2 | 0 | 0 | 0 | 114.1 | F113 I121 M126 M129 L130 S133 T154 L166 E183 | F113-F185 HydrophobicContact CB-CD2 4.21Å; F113-F185 HydrophobicContact CD1-CB 3.96Å; F113-F185 HydrophobicContact CD1-CD2 4.33Å; F113-F185 AromaticContact CD2-CD2 3.55Å; F113-F185 HydrophobicContact CD2-CD2 3.55Å; F113-F185 HydrophobicContact CD2-CE2 4.28Å; F113-F185 HydrophobicContact CE1-CB 3.98Å; F113-F185 AromaticContact CE2-CD2 3.91Å; F113-F185 HydrophobicContact CE2-CD2 3.91Å; F113-F185 HydrophobicContact CG-CB 4.27Å; F113-F185 AromaticContact CG-CD2 3.78Å; F113-F185 HydrophobicContact CG-CD2 3.78Å; F113-F185 HydrophobicContact CG-CG 4.47Å; F113-F185 HydrophobicContact CZ-CB 4.29Å; F113-F185 HydrophobicContact CZ-CD2 4.45Å; I121-F185 HydrophobicContact CD1-CD2 4.48Å; I121-F185 HydrophobicContact CD1-CE2 4Å; I121-F185 HydrophobicContact CG2-CE2 4.33Å; I121-F185 HydrophobicContact CG2-CZ 4.49Å; M126-F185 HydrophobicContact CB-CD1 4.03Å; M126-F185 HydrophobicContact CB-CE1 3.77Å; M126-F185 HydrophobicContact CE-CZ 4.42Å; M126-F185 HydrophobicContact CG-CD1 4Å; M126-F185 HydrophobicContact CG-CE1 3.36Å; M126-F185 HydrophobicContact CG-CZ 3.75Å; M126-F185 HydrophobicContact SD-CE1 3.73Å; M126-F185 HydrophobicContact SD-CZ 3.95Å; M129-F185 CarbonylContact C-O 3.59Å; M129-F185 HydrophobicContact CB-CB 3.89Å; L130-F185 HydrophobicContact CD1-CD1 4.37Å; L130-F185 HydrophobicContact CD2-CD1 4.4Å; L130-F185 HydrophobicContact CG-CD1 4.2Å; S133-F185 PolarHBondContact OG-O 3.39Å; T154-F185 HydrophobicContact CG2-CE1 3.56Å; T154-F185 HydrophobicContact CG2-CZ 3.54Å; L166-F185 HydrophobicContact CD1-CE2 4.17Å; L166-F185 HydrophobicContact CD1-CZ 3.73Å; E183-F185 PolarHBondContact O-N 2.88Å |
| 186 | G | 91.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 63 Ų | 63 | 6% | 0.062 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 144.7 | 150.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S133 E183 C188 | S133-G186 WeakPolarHBondContact OG-CA 3.49Å; E183-G186 PolarHBondContact O-N 3.4Å; G186-C188 PolarHBondContact O-N 3.48Å; G186-C188 VanDerWaalsContact O-N 3.1Å |
| 187 | P | 92.1 | Very high | 94.4 | Very high | 85 Ų | 85 | 61.6 Ų | 61.6 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | trans | -72.5 | 103.9 | -177 | 29.6 | -33.9 | 0 | 0 | 0 | 110.6 | M64 I69 E183 | M64-P187 WeakPolarHBondContact CE-O 3.35Å; I69-P187 WeakPolarHBondContact CG2-O 3.5Å; E183-P187 VanDerWaalsContact OE1-CA 3.25Å; E183-P187 WeakPolarHBondContact OE1-CA 3.22Å | ||
| 188 | C | 93.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -110.7 | -1.1 | -179.4 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | I69 V73 F97 C109 V112 E183 G186 | I69-C188 HydrophobicContact CD1-CB 4.25Å; I69-C188 HydrophobicContact CG2-CB 3.94Å; V73-C188 HydrophobicContact CG2-CB 4.18Å; V73-C188 WeakPolarHBondContact CG2-O 3.42Å; F97-C188 VanDerWaalsContact CE2-O 3.27Å; F97-C188 WeakPolarHBondContact CE2-O 3.5Å; C109-C188 PolarHBondContact SG-SG 3.09Å; V112-C188 HydrophobicContact CG1-CB 3.73Å; E183-C188 PolarHBondContact OE1-N 3.18Å; G186-C188 PolarHBondContact O-N 3.48Å; G186-C188 VanDerWaalsContact O-N 3.1Å | ||
| 189 | L | 96.1 | Very high | 94.2 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -110.2 | 158 | 171 | -65.6 | 174.6 | 0 | 0 | 0 | 110.1 | F97 K105 Y108 L182 E183 | F97-L189 HydrophobicContact CD2-CD2 4.17Å; K105-L189 HydrophobicContact CB-CD1 4.1Å; K105-L189 HydrophobicContact CD-CD1 3.83Å; K105-L189 HydrophobicContact CG-CD1 3.95Å; Y108-L189 HydrophobicContact CD1-CD2 3.87Å; Y108-L189 HydrophobicContact CE1-CD2 3.91Å; L182-L189 HydrophobicContact CD2-CD1 3.98Å; L182-L189 HydrophobicContact CG-CD1 4.5Å; E183-L189 WeakPolarHBondContact OE1-CB 3.46Å; E183-L189 PolarHBondContact OE1-N 2.86Å |
| 190 | P | 94.7 | Very high | 94.1 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 8% | 0.078 | 28% | 0.282 | C | S | . | . | trans | -71 | 138.9 | 177.1 | 29.8 | -30.6 | 0 | 0 | 0 | 109.8 | F62 F97 L98 | F62-P190 HydrophobicContact CB-CB 4.37Å; F62-P190 HydrophobicContact CD1-CB 3.58Å; F62-P190 HydrophobicContact CD1-CG 4.49Å; F62-P190 HydrophobicContact CE1-CB 4.15Å; F62-P190 HydrophobicContact CG-CB 4.17Å; F97-P190 HydrophobicContact CD1-CB 4.37Å; F97-P190 HydrophobicContact CD1-CG 3.67Å; F97-P190 HydrophobicContact CE1-CB 3.85Å; F97-P190 VanDerWaalsContact CE1-CD 3.49Å; F97-P190 HydrophobicContact CE1-CG 3.62Å; F97-P190 HydrophobicContact CG-CG 4.28Å; F97-P190 HydrophobicContact CZ-CB 4.37Å; F97-P190 HydrophobicContact CZ-CG 4.2Å; F97-P190 VanDerWaalsContact O-CD 3.24Å; F97-P190 WeakPolarHBondContact O-CD 3.48Å; F97-P190 VanDerWaalsContact O-CG 3.32Å; F97-P190 WeakPolarHBondContact O-CG 3.14Å; L98-P190 HydrophobicContact CD2-CG 4.09Å | ||
| 191 | D | 92.9 | Very high | 94 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 36% | 0.358 | 28% | 0.276 | S | S | . | . | trans | -64.6 | 153.8 | 172.8 | 76.4 | 85.5 | 0 | 0 | 0 | 110.7 | K193 S194 Q195 | D191-K193 PolarHBondContact O-N 3.44Å; D191-K193 VanDerWaalsContact O-N 3.1Å; D191-K193 WeakPolarHBondContact OD1-CA 3.06Å; D191-K193 VanDerWaalsContact OD1-CB 3.24Å; D191-K193 WeakPolarHBondContact OD1-CB 3.08Å; D191-K193 PolarHBondContact OD1-N 2.95Å; D191-S194 PolarHBondContact O-N 3.1Å; D191-S194 VanDerWaalsContact O-N 3.16Å; D191-S194 PolarHBondContact OD1-N 2.91Å; D191-S194 WeakPolarHBondContact OD2-CB 3.02Å; D191-S194 PolarHBondContact OD2-OG 3.09Å; D191-Q195 PolarHBondContact O-N 3.02Å | ||
| 192 | P | 93.3 | Very high | 93.9 | Very high | 97 Ų | 97 | 51.1 Ų | 51.1 | 63% | 0.63 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -56.4 | -32.9 | -175 | -28.2 | 35.5 | 0 | 0 | 0 | 114.3 | M196 | P192-M196 WeakPolarHBondContact O-CB 3.35Å; P192-M196 WeakPolarHBondContact O-CG 3.42Å; P192-M196 PolarHBondContact O-N 3.14Å |
| 193 | K | 94.4 | Very high | 93.7 | Very high | 139 Ų | 139 | 51.5 Ų | 51.5 | 60% | 0.604 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -71.7 | -49.1 | 179.9 | 178.6 | -173.6 | 171.5 | -175.7 | 0 | 110.4 | D191 Q195 M196 E197 | D191-K193 PolarHBondContact O-N 3.44Å; D191-K193 VanDerWaalsContact O-N 3.1Å; D191-K193 WeakPolarHBondContact OD1-CA 3.06Å; D191-K193 VanDerWaalsContact OD1-CB 3.24Å; D191-K193 WeakPolarHBondContact OD1-CB 3.08Å; D191-K193 PolarHBondContact OD1-N 2.95Å; K193-Q195 VanDerWaalsContact C-N 3.28Å; K193-Q195 PolarHBondContact O-N 2.78Å; K193-M196 PolarHBondContact O-N 3.22Å; K193-E197 WeakPolarHBondContact CE-OE1 3.19Å; K193-E197 IonicContact NZ-OE1 3.15Å; K193-E197 WeakPolarHBondContact O-CG 3.48Å; K193-E197 PolarHBondContact O-N 2.95Å |
| 194 | S | 94.5 | Very high | 93 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 176.8 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | D191 F198 | D191-S194 PolarHBondContact O-N 3.1Å; D191-S194 VanDerWaalsContact O-N 3.16Å; D191-S194 PolarHBondContact OD1-N 2.91Å; D191-S194 WeakPolarHBondContact OD2-CB 3.02Å; D191-S194 PolarHBondContact OD2-OG 3.09Å; S194-F198 WeakPolarHBondContact O-CB 3.45Å; S194-F198 PolarHBondContact O-N 3.01Å |
| 195 | Q | 94.4 | Very high | 91.7 | Very high | 42 Ų | 42 | 56.5 Ų | 56.5 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.8 | -52.4 | 172.4 | 174.4 | 178.5 | -6.8 | 0 | 0 | 111.6 | L98 D191 K193 E197 F198 E199 | L98-Q195 HydrophobicContact CB-CG 4.47Å; L98-Q195 HydrophobicContact CD2-CB 4.44Å; L98-Q195 HydrophobicContact CD2-CG 4.03Å; L98-Q195 VanDerWaalsContact O-CD 3.26Å; L98-Q195 PolarHBondContact O-NE2 3.26Å; L98-Q195 PolarHBondContact O-OE1 3.04Å; D191-Q195 PolarHBondContact O-N 3.02Å; K193-Q195 VanDerWaalsContact C-N 3.28Å; K193-Q195 PolarHBondContact O-N 2.78Å; Q195-E197 VanDerWaalsContact C-N 3.33Å; Q195-E197 PolarHBondContact O-N 3.01Å; Q195-F198 PolarHBondContact O-N 2.88Å; Q195-E199 PolarHBondContact NE2-OE1 3.17Å; Q195-E199 WeakPolarHBondContact O-CG 3.49Å; Q195-E199 PolarHBondContact O-N 2.85Å |
| 196 | M | 93.8 | Very high | 90 | Very high | 136 Ų | 136 | 60.7 Ų | 60.7 | 67% | 0.67 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.7 | -42.1 | -179.6 | -74.7 | 177.4 | 73.8 | 0 | 0 | 112 | P192 K193 E199 A200 | P192-M196 WeakPolarHBondContact O-CB 3.35Å; P192-M196 WeakPolarHBondContact O-CG 3.42Å; P192-M196 PolarHBondContact O-N 3.14Å; K193-M196 PolarHBondContact O-N 3.22Å; M196-E199 PolarHBondContact O-N 3.11Å; M196-A200 WeakPolarHBondContact O-CB 3.45Å; M196-A200 PolarHBondContact O-N 3.42Å |
| 197 | E | 94.9 | Very high | 88.4 | Confident | 94 Ų | 94 | 66.8 Ų | 66.8 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 177 | -73.8 | 177.9 | -178.2 | 0 | 0 | 111.6 | K193 Q195 Q201 | K193-E197 WeakPolarHBondContact CE-OE1 3.19Å; K193-E197 IonicContact NZ-OE1 3.15Å; K193-E197 WeakPolarHBondContact O-CG 3.48Å; K193-E197 PolarHBondContact O-N 2.95Å; Q195-E197 VanDerWaalsContact C-N 3.33Å; Q195-E197 PolarHBondContact O-N 3.01Å; E197-Q201 WeakPolarHBondContact O-CB 3.42Å; E197-Q201 PolarHBondContact O-N 3.26Å |
| 198 | F | 95.2 | Very high | 86.6 | Confident | 9 Ų | 9 | 69.9 Ų | 69.9 | 4% | 0.039 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.9 | -52 | 175.8 | -180 | -93.2 | 0 | 0 | 0 | 111.8 | L28 L31 T61 F62 L94 L98 S194 Q195 A200 Q201 V202 | L28-F198 HydrophobicContact CD2-CE1 4.2Å; L28-F198 HydrophobicContact CD2-CZ 4.27Å; L31-F198 HydrophobicContact CD2-CE2 3.83Å; L31-F198 HydrophobicContact CD2-CZ 3.71Å; T61-F198 HydrophobicContact CG2-CB 4.42Å; T61-F198 HydrophobicContact CG2-CD2 3.4Å; T61-F198 HydrophobicContact CG2-CE2 4.04Å; T61-F198 HydrophobicContact CG2-CG 4.31Å; F62-F198 HydrophobicContact CE1-CB 3.97Å; F62-F198 HydrophobicContact CE1-CD2 4.2Å; F62-F198 AromaticContact CE1-CG 4Å; F62-F198 HydrophobicContact CE1-CG 4Å; F62-F198 HydrophobicContact CZ-CB 4.48Å; F62-F198 HydrophobicContact CZ-CD1 4.45Å; F62-F198 AromaticContact CZ-CD2 3.91Å; F62-F198 HydrophobicContact CZ-CD2 3.91Å; F62-F198 HydrophobicContact CZ-CE2 4.15Å; F62-F198 HydrophobicContact CZ-CG 4.02Å; L94-F198 HydrophobicContact CD1-CE1 4.31Å; L94-F198 HydrophobicContact CD1-CZ 3.96Å; L98-F198 HydrophobicContact CD1-CD1 3.53Å; L98-F198 HydrophobicContact CD1-CE1 3.5Å; L98-F198 VanDerWaalsContact CD1-CE1 3.5Å; L98-F198 HydrophobicContact CD2-CD1 4.28Å; S194-F198 WeakPolarHBondContact O-CB 3.45Å; S194-F198 PolarHBondContact O-N 3.01Å; Q195-F198 PolarHBondContact O-N 2.88Å; F198-A200 VanDerWaalsContact C-N 3.33Å; F198-A200 PolarHBondContact O-N 3.26Å; F198-Q201 PolarHBondContact O-N 3.04Å; F198-Q201 VanDerWaalsContact O-N 3.11Å; F198-V202 HydrophobicContact CD1-CG2 4.3Å; F198-V202 HydrophobicContact CD2-CG2 3.99Å; F198-V202 HydrophobicContact CE1-CB 4.33Å; F198-V202 HydrophobicContact CE1-CG2 4.03Å; F198-V202 HydrophobicContact CE2-CG2 3.77Å; F198-V202 HydrophobicContact CG-CG2 4.3Å; F198-V202 HydrophobicContact CZ-CB 4.47Å; F198-V202 HydrophobicContact CZ-CG2 3.79Å; F198-V202 WeakPolarHBondContact O-CB 3.29Å; F198-V202 VanDerWaalsContact O-CG2 3.29Å; F198-V202 WeakPolarHBondContact O-CG2 3.1Å; F198-V202 PolarHBondContact O-N 2.64Å |
| 199 | E | 94.8 | Very high | 84.5 | Confident | 38 Ų | 38 | 78.2 Ų | 78.2 | 18% | 0.178 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | -179.5 | -69.5 | -162.3 | -164.2 | 0 | 0 | 111.2 | R99 Q195 M196 Q201 V202 F203 | R99-E199 IonicContact CZ-OE1 2.74Å; R99-E199 IonicContact CZ-OE2 2.78Å; R99-E199 IonicContact NE-OE1 3.97Å; R99-E199 PolarHBondContact NE-OE1 2.74Å; R99-E199 VanDerWaalsContact NE-OE1 3.1Å; R99-E199 IonicContact NE-OE2 3.2Å; R99-E199 PolarHBondContact NE-OE2 3.26Å; R99-E199 IonicContact NH2-OE1 3.11Å; R99-E199 IonicContact NH2-OE2 3.1Å; R99-E199 PolarHBondContact NH2-OE2 3.33Å; Q195-E199 PolarHBondContact NE2-OE1 3.17Å; Q195-E199 WeakPolarHBondContact O-CG 3.49Å; Q195-E199 PolarHBondContact O-N 2.85Å; M196-E199 PolarHBondContact O-N 3.11Å; E199-Q201 VanDerWaalsContact C-N 3.27Å; E199-Q201 PolarHBondContact O-N 3.15Å; E199-V202 PolarHBondContact O-N 2.95Å; E199-F203 HydrophobicContact CB-CD2 3.88Å; E199-F203 HydrophobicContact CB-CE2 4.28Å; E199-F203 HydrophobicContact CG-CD2 3.98Å; E199-F203 HydrophobicContact CG-CE2 3.86Å; E199-F203 WeakPolarHBondContact O-CB 3.33Å; E199-F203 PolarHBondContact O-N 2.65Å |
| 200 | A | 93.1 | Very high | 82 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 45% | 0.446 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.5 | -30.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M196 F198 K204 | M196-A200 WeakPolarHBondContact O-CB 3.45Å; M196-A200 PolarHBondContact O-N 3.42Å; F198-A200 VanDerWaalsContact C-N 3.33Å; F198-A200 PolarHBondContact O-N 3.26Å; A200-K204 WeakPolarHBondContact O-CD 3.29Å; A200-K204 WeakPolarHBondContact O-CE 3.37Å; A200-K204 WeakPolarHBondContact O-CG 3.5Å |
| 201 | Q | 91.7 | Very high | 79.5 | Confident | 146 Ų | 146 | 91.8 Ų | 91.8 | 68% | 0.682 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -78.9 | -40.2 | 177.1 | -174.7 | 175.3 | 6.2 | 0 | 0 | 112.2 | E197 F198 E199 | E197-Q201 WeakPolarHBondContact O-CB 3.42Å; E197-Q201 PolarHBondContact O-N 3.26Å; F198-Q201 PolarHBondContact O-N 3.04Å; F198-Q201 VanDerWaalsContact O-N 3.11Å; E199-Q201 VanDerWaalsContact C-N 3.27Å; E199-Q201 PolarHBondContact O-N 3.15Å |
| 202 | V | 93.3 | Very high | 76.9 | Confident | 24 Ų | 24 | 99.7 Ų | 99.7 | 15% | 0.145 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -92.1 | -33.4 | -168.2 | 179.2 | 0 | 0 | 0 | 0 | 112.7 | C27 L28 L31 F198 E199 | C27-V202 HydrophobicContact CB-CG1 4.19Å; C27-V202 WeakPolarHBondContact CB-O 3.31Å; L28-V202 HydrophobicContact CD2-CG1 4.05Å; L31-V202 HydrophobicContact CD2-CG1 3.96Å; L31-V202 HydrophobicContact CD2-CG2 3.71Å; F198-V202 HydrophobicContact CD1-CG2 4.3Å; F198-V202 HydrophobicContact CD2-CG2 3.99Å; F198-V202 HydrophobicContact CE1-CB 4.33Å; F198-V202 HydrophobicContact CE1-CG2 4.03Å; F198-V202 HydrophobicContact CE2-CG2 3.77Å; F198-V202 HydrophobicContact CG-CG2 4.3Å; F198-V202 HydrophobicContact CZ-CB 4.47Å; F198-V202 HydrophobicContact CZ-CG2 3.79Å; F198-V202 WeakPolarHBondContact O-CB 3.29Å; F198-V202 VanDerWaalsContact O-CG2 3.29Å; F198-V202 WeakPolarHBondContact O-CG2 3.1Å; F198-V202 PolarHBondContact O-N 2.64Å; E199-V202 PolarHBondContact O-N 2.95Å |
| 203 | F | 93.1 | Very high | 76.1 | Confident | 25 Ų | 25 | 99.9 Ų | 99.9 | 11% | 0.11 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -103.4 | 8.9 | -175.2 | -54.9 | -39.4 | 0 | 0 | 0 | 114.4 | F20 E24 C27 L28 E199 D205 | F20-F203 HydrophobicContact CD1-CE2 4.25Å; F20-F203 HydrophobicContact CD1-CZ 4Å; F20-F203 AromaticContact CE1-CE2 3.73Å; F20-F203 HydrophobicContact CE1-CE2 3.73Å; F20-F203 AromaticContact CE1-CZ 3.66Å; F20-F203 HydrophobicContact CE1-CZ 3.66Å; F20-F203 HydrophobicContact CZ-CE2 4.45Å; F20-F203 HydrophobicContact CZ-CZ 4.13Å; E24-F203 HydrophobicContact CB-CD1 3.97Å; E24-F203 HydrophobicContact CB-CE1 3.77Å; E24-F203 HydrophobicContact CB-CZ 4.19Å; E24-F203 HydrophobicContact CG-CD1 3.91Å; E24-F203 HydrophobicContact CG-CD2 4.42Å; E24-F203 HydrophobicContact CG-CE1 4.15Å; E24-F203 HydrophobicContact CG-CG 4.06Å; E24-F203 HydrophobicContact CG-CZ 4.5Å; C27-F203 HydrophobicContact CB-CD1 3.98Å; C27-F203 HydrophobicContact CB-CE1 4.25Å; L28-F203 HydrophobicContact CD1-CE1 4.49Å; L28-F203 HydrophobicContact CD1-CZ 4.29Å; L28-F203 HydrophobicContact CD2-CE1 3.73Å; L28-F203 HydrophobicContact CD2-CZ 3.79Å; L28-F203 HydrophobicContact CG-CE1 3.82Å; L28-F203 HydrophobicContact CG-CZ 4.04Å; E199-F203 HydrophobicContact CB-CD2 3.88Å; E199-F203 HydrophobicContact CB-CE2 4.28Å; E199-F203 HydrophobicContact CG-CD2 3.98Å; E199-F203 HydrophobicContact CG-CE2 3.86Å; E199-F203 WeakPolarHBondContact O-CB 3.33Å; E199-F203 PolarHBondContact O-N 2.65Å; F203-D205 PolarHBondContact O-N 3.43Å; F203-D205 VanDerWaalsContact O-N 3.09Å |
| 204 | K | 81.4 | Confident | 75.1 | Confident | 133 Ų | 133 | 97.8 Ų | 97.8 | 58% | 0.578 | 49% | 0.487 | S | S | * | . | trans | -46.3 | 120.1 | 171.1 | -100 | 159.2 | -172.8 | 176.4 | 0 | 110.3 | Y23 A200 P206 | Y23-K204 PolarHBondContact OH-O 3.29Å; A200-K204 WeakPolarHBondContact O-CD 3.29Å; A200-K204 WeakPolarHBondContact O-CE 3.37Å; A200-K204 WeakPolarHBondContact O-CG 3.5Å; K204-P206 WeakPolarHBondContact O-CD 3.39Å | ||
| 205 | D | 64 | Low | 74 | Confident | 63 Ų | 63 | 102.9 Ų | 102.9 | 34% | 0.337 | 51% | 0.512 | S | S | . | . | trans | -74.3 | 121.2 | 171.4 | -169.6 | -17.8 | 0 | 0 | 0 | 108.1 | F203 H207 E208 | F203-D205 PolarHBondContact O-N 3.43Å; F203-D205 VanDerWaalsContact O-N 3.09Å; D205-H207 PolarHBondContact O-N 3.07Å; D205-H207 VanDerWaalsContact O-N 3.07Å; D205-H207 WeakPolarHBondContact OD1-CB 3.33Å; D205-H207 IonicContact OD1-CD2 3.44Å; D205-H207 PolarHBondContact OD1-CD2 3.16Å; D205-H207 IonicContact OD1-CG 3.31Å; D205-H207 PolarHBondContact OD1-N 2.83Å; D205-E208 HydrophobicContact CB-CB 4.26Å; D205-E208 HydrophobicContact CB-CG 4.01Å; D205-E208 PolarHBondContact O-N 2.77Å | ||
| 206 | P | 58.1 | Low | 72.9 | Confident | 89 Ų | 89 | 106.5 Ų | 106.5 | 58% | 0.578 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -12.3 | 172.5 | 24.2 | -32.6 | 0 | 0 | 0 | 113.4 | Y23 K204 | Y23-P206 WeakPolarHBondContact OH-CD 3.12Å; K204-P206 WeakPolarHBondContact O-CD 3.39Å |
| 207 | H | 56.7 | Low | 71.5 | Confident | 134 Ų | 134 | 104.7 Ų | 104.7 | 62% | 0.62 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -6.6 | 179.8 | -61 | -63.4 | 0 | 0 | 0 | 115.2 | D205 F209 | D205-H207 PolarHBondContact O-N 3.07Å; D205-H207 VanDerWaalsContact O-N 3.07Å; D205-H207 WeakPolarHBondContact OD1-CB 3.33Å; D205-H207 IonicContact OD1-CD2 3.44Å; D205-H207 PolarHBondContact OD1-CD2 3.16Å; D205-H207 IonicContact OD1-CG 3.31Å; D205-H207 PolarHBondContact OD1-N 2.83Å; H207-F209 PolarHBondContact O-N 3.44Å; H207-F209 VanDerWaalsContact O-N 3.16Å |
| 208 | E | 54.4 | Low | 70 | Confident | 150 Ų | 150 | 105.4 Ų | 105.4 | 70% | 0.701 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -7.1 | -178.3 | -98.5 | -173.5 | 147.7 | 0 | 0 | 114.7 | D205 | D205-E208 HydrophobicContact CB-CB 4.26Å; D205-E208 HydrophobicContact CB-CG 4.01Å; D205-E208 PolarHBondContact O-N 2.77Å |
| 209 | F | 49.5 | Very low | 68.2 | Low | 174 Ų | 174 | 112.3 Ų | 112.3 | 76% | 0.763 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 13.4 | -179.2 | -74.9 | -79.7 | 0 | 0 | 0 | 114.9 | H207 | H207-F209 PolarHBondContact O-N 3.44Å; H207-F209 VanDerWaalsContact O-N 3.16Å |
| 210 | H | 44.6 | Very low | 66.1 | Low | 152 Ų | 152 | 118 Ų | 118 | 70% | 0.704 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -96.8 | 2.4 | 179.3 | -80.9 | -40.2 | 0 | 0 | 0 | 116.1 | ||
| 211 | D | 41.5 | Very low | 63.9 | Low | 157 Ų | 157 | 123.3 Ų | 123.3 | 84% | 0.84 | 60% | 0.604 | S | S | * | * | trans | -122.5 | 67.7 | 176.1 | -69.5 | -39.3 | 0 | 0 | 0 | 112 | ||||
| 212 | I | 38.7 | Very low | 61.4 | Low | 233 Ų | 233 | 121.3 Ų | 121.3 | 100% | 1.195 | 60% | 0.597 | S | S | * | * | trans | -138.8 | 0 | 154 | -52.9 | -178.9 | 0 | 0 | 0 | 109.1 |
Retrieved 212 of 212 residues in 44.4 ms
(Link to these results)