| 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 | 75.5 | Confident | 80.5 | Confident | 88 Ų | 88 | 70.8 Ų | 70.8 | 43% | 0.433 | 35% | 0.345 | S | S | . | . | 0 | -59.5 | 0 | -176.9 | 160.3 | 174 | 0 | 0 | 109.5 | E3 E4 T5 E51 W52 F55 W116 | M1-E3 PolarHBondContact O-N 3.28Å; M1-E4 PolarHBondContact O-N 2.66Å; M1-T5 PolarHBondContact O-N 3.06Å; M1-T5 PolarHBondContact O-OG1 3.38Å; M1-E51 HydrophobicContact CE-CB 4.25Å; M1-E51 HydrophobicContact SD-CB 4.4Å; M1-W52 HydrophobicContact CB-CE3 4.35Å; M1-W52 HydrophobicContact CB-CZ3 4.33Å; M1-W52 HydrophobicContact CE-CE3 4.46Å; M1-W52 HydrophobicContact CG-CE3 3.8Å; M1-W52 HydrophobicContact CG-CZ3 3.87Å; M1-W52 HydrophobicContact SD-CE3 4.05Å; M1-F55 HydrophobicContact CE-CB 3.92Å; M1-F55 HydrophobicContact CE-CG 4.41Å; M1-W116 HydrophobicContact CE-CH2 3.54Å; M1-W116 HydrophobicContact CE-CZ2 3.73Å | |||
| 2 | N | 75.6 | Confident | 80 | Confident | 122 Ų | 122 | 65.1 Ų | 65.1 | 65% | 0.652 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -45.7 | -50.9 | 179.8 | -60.7 | 1.9 | 0 | 0 | 0 | 114.5 | E4 T5 E6 | N2-E4 VanDerWaalsContact C-N 3.3Å; N2-E4 PolarHBondContact O-N 3.44Å; N2-T5 WeakPolarHBondContact O-CB 3.48Å; N2-T5 PolarHBondContact O-N 3Å; N2-T5 VanDerWaalsContact O-N 3.16Å; N2-E6 WeakPolarHBondContact O-CG 3.46Å; N2-E6 PolarHBondContact O-N 3.23Å |
| 3 | E | 80.4 | Confident | 79.9 | Confident | 139 Ų | 139 | 67.5 Ų | 67.5 | 65% | 0.65 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -58.4 | -38.2 | 177.7 | -67.7 | -178.9 | -179.4 | 0 | 0 | 113.8 | M1 K7 | M1-E3 PolarHBondContact O-N 3.28Å; E3-K7 VanDerWaalsContact O-CG 3.25Å; E3-K7 WeakPolarHBondContact O-CG 3.13Å; E3-K7 PolarHBondContact O-N 3.45Å |
| 4 | E | 82.2 | Confident | 79.8 | Confident | 31 Ų | 31 | 67.3 Ų | 67.3 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -78.9 | -31.4 | 179.8 | -69.8 | -57.9 | 142 | 0 | 0 | 111.6 | M1 N2 K7 F8 W37 H41 W52 | M1-E4 PolarHBondContact O-N 2.66Å; N2-E4 VanDerWaalsContact C-N 3.3Å; N2-E4 PolarHBondContact O-N 3.44Å; E4-K7 IonicContact OE1-NZ 3.59Å; E4-K7 PolarHBondContact OE1-NZ 2.77Å; E4-F8 WeakPolarHBondContact O-CB 3.42Å; E4-F8 PolarHBondContact O-N 3.46Å; E4-W37 HydrophobicContact CB-CZ2 4.16Å; E4-W37 PolarHBondContact OE2-NE1 3.43Å; E4-H41 IonicContact OE2-CE1 2.76Å; E4-H41 IonicContact OE2-NE2 3.71Å; E4-H41 PolarHBondContact OE2-NE2 2.91Å; E4-W52 HydrophobicContact CB-CH2 3.69Å; E4-W52 HydrophobicContact CB-CZ3 4.17Å; E4-W52 HydrophobicContact CG-CH2 4.27Å |
| 5 | T | 77.9 | Confident | 79.1 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 7% | 0.067 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 169.7 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | M1 N2 F8 H9 W115 W116 | M1-T5 PolarHBondContact O-N 3.06Å; M1-T5 PolarHBondContact O-OG1 3.38Å; N2-T5 WeakPolarHBondContact O-CB 3.48Å; N2-T5 PolarHBondContact O-N 3Å; N2-T5 VanDerWaalsContact O-N 3.16Å; T5-F8 PolarHBondContact O-N 2.92Å; T5-H9 WeakPolarHBondContact O-CB 3.3Å; T5-H9 PolarHBondContact O-N 2.7Å; T5-W115 HydrophobicContact CG2-CZ2 3.9Å; T5-W116 HydrophobicContact CG2-CE3 3.92Å; T5-W116 HydrophobicContact CG2-CH2 4.08Å; T5-W116 HydrophobicContact CG2-CZ3 3.28Å; T5-W116 WeakPolarHBondContact OG1-CZ3 3.45Å |
| 6 | E | 80.6 | Confident | 78.5 | Confident | 121 Ų | 121 | 65.3 Ų | 65.3 | 57% | 0.565 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.6 | -48.2 | 177.4 | -75.6 | 173.8 | 177.1 | 0 | 0 | 111 | N2 F8 H9 D10 | N2-E6 WeakPolarHBondContact O-CG 3.46Å; N2-E6 PolarHBondContact O-N 3.23Å; E6-F8 VanDerWaalsContact C-N 3.3Å; E6-F8 PolarHBondContact O-N 3.27Å; E6-H9 CarbonylContact O-C 3.59Å; E6-H9 WeakPolarHBondContact O-CA 3.19Å; E6-H9 WeakPolarHBondContact O-CB 3.43Å; E6-H9 PolarHBondContact O-N 2.83Å; E6-D10 VanDerWaalsContact O-CG 3.3Å; E6-D10 PolarHBondContact O-N 2.72Å |
| 7 | K | 84.6 | Confident | 78.2 | Confident | 99 Ų | 99 | 70.9 Ų | 70.9 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.5 | -44.1 | 175.1 | -74.7 | 170.8 | -167.4 | 166.7 | 0 | 112.6 | E3 E4 H9 M11 | E3-K7 VanDerWaalsContact O-CG 3.25Å; E3-K7 WeakPolarHBondContact O-CG 3.13Å; E3-K7 PolarHBondContact O-N 3.45Å; E4-K7 IonicContact OE1-NZ 3.59Å; E4-K7 PolarHBondContact OE1-NZ 2.77Å; K7-H9 VanDerWaalsContact C-N 3.35Å; K7-M11 WeakPolarHBondContact O-CE 3.5Å; K7-M11 WeakPolarHBondContact O-CG 3.03Å; K7-M11 PolarHBondContact O-N 3.07Å; K7-M11 VanDerWaalsContact O-N 3.11Å |
| 8 | F | 81.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 176.8 | -176.6 | -94.1 | 0 | 0 | 0 | 111.6 | E4 T5 E6 M11 L12 L34 W37 F55 Y58 C59 Q62 I63 | E4-F8 WeakPolarHBondContact O-CB 3.42Å; E4-F8 PolarHBondContact O-N 3.46Å; T5-F8 PolarHBondContact O-N 2.92Å; E6-F8 VanDerWaalsContact C-N 3.3Å; E6-F8 PolarHBondContact O-N 3.27Å; F8-M11 PolarHBondContact O-N 3.07Å; F8-L12 HydrophobicContact CE1-CD2 4.36Å; F8-L12 WeakPolarHBondContact O-CB 3.29Å; F8-L12 PolarHBondContact O-N 2.95Å; F8-L34 HydrophobicContact CD2-CD2 3.95Å; F8-L34 HydrophobicContact CE2-CD2 3.61Å; F8-L34 HydrophobicContact CZ-CD2 4.08Å; F8-W37 HydrophobicContact CB-CH2 4.42Å; F8-W37 HydrophobicContact CB-CZ2 4.27Å; F8-W37 AromaticContact CD2-CD2 4Å; F8-W37 HydrophobicContact CD2-CD2 4Å; F8-W37 AromaticContact CD2-CE3 3.54Å; F8-W37 HydrophobicContact CD2-CE3 3.54Å; F8-W37 HydrophobicContact CD2-CH2 4.31Å; F8-W37 AromaticContact CD2-CZ3 3.73Å; F8-W37 HydrophobicContact CD2-CZ3 3.73Å; F8-W37 HydrophobicContact CE2-CE3 4.09Å; F8-W37 HydrophobicContact CE2-CZ3 4.27Å; F8-W37 HydrophobicContact CG-CE3 4.49Å; F8-W37 HydrophobicContact CG-CZ3 4.4Å; F8-F55 HydrophobicContact CB-CZ 4.03Å; F8-F55 HydrophobicContact CD1-CE2 4.34Å; F8-F55 HydrophobicContact CD1-CZ 4.42Å; F8-F55 HydrophobicContact CG-CZ 4.29Å; F8-Y58 HydrophobicContact CE1-CE1 4.32Å; F8-C59 HydrophobicContact CD2-CB 4.4Å; F8-C59 HydrophobicContact CE1-CB 4.11Å; F8-C59 VanDerWaalsContact CE1-SG 3.57Å; F8-C59 HydrophobicContact CE2-CB 3.79Å; F8-C59 HydrophobicContact CZ-CB 3.63Å; F8-Q62 HydrophobicContact CE1-CB 4.24Å; F8-Q62 HydrophobicContact CE1-CG 4.42Å; F8-Q62 HydrophobicContact CZ-CB 4.14Å; F8-I63 HydrophobicContact CE2-CD1 3.93Å; F8-I63 HydrophobicContact CE2-CG1 4.23Å; F8-I63 HydrophobicContact CZ-CD1 4.34Å; F8-I63 HydrophobicContact CZ-CG1 4.22Å |
| 9 | H | 79.3 | Confident | 76.8 | Confident | 49 Ų | 49 | 67.9 Ų | 67.9 | 23% | 0.227 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 177.6 | -172.3 | 45.7 | 0 | 0 | 0 | 112.1 | T5 E6 K7 M11 L12 Q13 W115 | T5-H9 WeakPolarHBondContact O-CB 3.3Å; T5-H9 PolarHBondContact O-N 2.7Å; E6-H9 CarbonylContact O-C 3.59Å; E6-H9 WeakPolarHBondContact O-CA 3.19Å; E6-H9 WeakPolarHBondContact O-CB 3.43Å; E6-H9 PolarHBondContact O-N 2.83Å; K7-H9 VanDerWaalsContact C-N 3.35Å; H9-M11 PolarHBondContact O-N 3.23Å; H9-L12 WeakPolarHBondContact O-CB 3.4Å; H9-L12 PolarHBondContact O-N 3.35Å; H9-Q13 PolarHBondContact CE1-NE2 2.91Å; H9-Q13 PolarHBondContact NE2-NE2 3.38Å; H9-Q13 WeakPolarHBondContact O-CG 3.46Å; H9-Q13 PolarHBondContact O-N 2.91Å; H9-W115 HydrophobicContact CB-CH2 3.81Å; H9-W115 HydrophobicContact CB-CZ2 3.97Å; H9-W115 AromaticContact CE1-CH2 3.74Å; H9-W115 AromaticContact CE1-CZ3 3.52Å; H9-W115 AromaticContact CG-CH2 3.49Å; H9-W115 VanDerWaalsContact CG-CH2 3.49Å; H9-W115 AromaticContact CG-CZ2 3.96Å; H9-W115 AromaticContact ND1-CH2 3.15Å; H9-W115 WeakPolarHBondContact ND1-CH2 3.25Å; H9-W115 AromaticContact ND1-CZ3 3.42Å; H9-W115 WeakPolarHBondContact ND1-CZ3 3.39Å |
| 10 | D | 83.7 | Confident | 75.8 | Confident | 89 Ų | 89 | 69.3 Ų | 69.3 | 48% | 0.476 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 177.7 | -66.6 | -18.6 | 0 | 0 | 0 | 111 | E6 L12 Q13 D14 | E6-D10 VanDerWaalsContact O-CG 3.3Å; E6-D10 PolarHBondContact O-N 2.72Å; D10-L12 VanDerWaalsContact C-N 3.3Å; D10-L12 PolarHBondContact O-N 2.98Å; D10-Q13 PolarHBondContact O-N 2.91Å; D10-D14 WeakPolarHBondContact O-CB 3.48Å; D10-D14 PolarHBondContact O-N 2.87Å |
| 11 | M | 84.1 | Confident | 74.6 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 15% | 0.148 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.6 | -36 | 175.9 | -72 | -175.9 | -67.3 | 0 | 0 | 112.8 | K7 F8 H9 F15 Q33 L34 W37 | K7-M11 WeakPolarHBondContact O-CE 3.5Å; K7-M11 WeakPolarHBondContact O-CG 3.03Å; K7-M11 PolarHBondContact O-N 3.07Å; K7-M11 VanDerWaalsContact O-N 3.11Å; F8-M11 PolarHBondContact O-N 3.07Å; H9-M11 PolarHBondContact O-N 3.23Å; M11-F15 WeakPolarHBondContact O-CB 3.43Å; M11-F15 PolarHBondContact O-N 3.38Å; M11-Q33 HydrophobicContact SD-CB 4.13Å; M11-L34 HydrophobicContact CB-CD2 3.61Å; M11-L34 HydrophobicContact CB-CG 4.15Å; M11-W37 HydrophobicContact CE-CB 3.7Å; M11-W37 HydrophobicContact CE-CD2 4.33Å; M11-W37 HydrophobicContact CE-CG 3.57Å; M11-W37 HydrophobicContact SD-CB 4.4Å |
| 12 | L | 73.9 | Confident | 73.6 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.9 | -47.2 | 177.2 | -178 | 65.3 | 0 | 0 | 0 | 110.9 | F8 H9 D10 D14 F15 E16 L34 Q62 C66 | F8-L12 HydrophobicContact CE1-CD2 4.36Å; F8-L12 WeakPolarHBondContact O-CB 3.29Å; F8-L12 PolarHBondContact O-N 2.95Å; H9-L12 WeakPolarHBondContact O-CB 3.4Å; H9-L12 PolarHBondContact O-N 3.35Å; D10-L12 VanDerWaalsContact C-N 3.3Å; D10-L12 PolarHBondContact O-N 2.98Å; L12-D14 VanDerWaalsContact C-N 3.32Å; L12-D14 PolarHBondContact O-N 3.41Å; L12-F15 WeakPolarHBondContact O-CB 3.32Å; L12-F15 PolarHBondContact O-N 3.32Å; L12-E16 WeakPolarHBondContact O-CG 3.48Å; L12-E16 PolarHBondContact O-N 3.16Å; L12-L34 HydrophobicContact CD1-CD1 4.44Å; L12-Q62 HydrophobicContact CD1-CB 4.38Å; L12-Q62 HydrophobicContact CD2-CB 4.38Å; L12-Q62 HydrophobicContact CD2-CG 4.14Å; L12-C66 WeakPolarHBondContact CD1-SG 3.43Å |
| 13 | Q | 78.8 | Confident | 72.5 | Confident | 96 Ų | 96 | 69.7 Ų | 69.7 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 175.7 | -74.2 | -167.2 | 0.1 | 0 | 0 | 111.5 | H9 D10 F15 E16 R17 | H9-Q13 PolarHBondContact CE1-NE2 2.91Å; H9-Q13 PolarHBondContact NE2-NE2 3.38Å; H9-Q13 WeakPolarHBondContact O-CG 3.46Å; H9-Q13 PolarHBondContact O-N 2.91Å; D10-Q13 PolarHBondContact O-N 2.91Å; Q13-F15 VanDerWaalsContact C-N 3.34Å; Q13-F15 PolarHBondContact O-N 2.91Å; Q13-E16 PolarHBondContact O-N 3.21Å; Q13-R17 WeakPolarHBondContact O-CB 3.49Å; Q13-R17 PolarHBondContact O-N 3.18Å |
| 14 | D | 78.4 | Confident | 71.4 | Confident | 65 Ų | 65 | 68.2 Ų | 68.2 | 35% | 0.348 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 175.4 | -84.4 | -16.6 | 0 | 0 | 0 | 111.1 | D10 L12 R17 Y18 | D10-D14 WeakPolarHBondContact O-CB 3.48Å; D10-D14 PolarHBondContact O-N 2.87Å; L12-D14 VanDerWaalsContact C-N 3.32Å; L12-D14 PolarHBondContact O-N 3.41Å; D14-R17 PolarHBondContact O-N 2.87Å; D14-Y18 HydrophobicContact CB-CE2 4.27Å; D14-Y18 WeakPolarHBondContact O-CD2 3.11Å; D14-Y18 PolarHBondContact O-N 2.74Å |
| 15 | F | 70.2 | Confident | 70.6 | Confident | 4 Ų | 4 | 75.5 Ų | 75.5 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.3 | -50.1 | 175.6 | 168.2 | -93.2 | 0 | 0 | 0 | 112.3 | M11 L12 Q13 R17 Y18 C19 F31 L34 C66 L70 | M11-F15 WeakPolarHBondContact O-CB 3.43Å; M11-F15 PolarHBondContact O-N 3.38Å; L12-F15 WeakPolarHBondContact O-CB 3.32Å; L12-F15 PolarHBondContact O-N 3.32Å; Q13-F15 VanDerWaalsContact C-N 3.34Å; Q13-F15 PolarHBondContact O-N 2.91Å; F15-R17 VanDerWaalsContact C-N 3.33Å; F15-R17 PolarHBondContact O-N 3.45Å; F15-Y18 PolarHBondContact O-N 3.46Å; F15-C19 WeakPolarHBondContact CE2-SG 3.45Å; F15-C19 WeakPolarHBondContact CZ-SG 3.24Å; F15-C19 PolarHBondContact O-N 2.9Å; F15-C19 PolarHBondContact O-SG 2.76Å; F15-C19 VanDerWaalsContact O-SG 3.35Å; F15-F31 HydrophobicContact CD2-CB 3.81Å; F15-F31 HydrophobicContact CD2-CD2 4.45Å; F15-F31 HydrophobicContact CE2-CB 3.81Å; F15-F31 HydrophobicContact CE2-CD2 4.15Å; F15-F31 HydrophobicContact CE2-CG 4.29Å; F15-L34 HydrophobicContact CB-CD1 3.98Å; F15-L34 HydrophobicContact CG-CD1 4.19Å; F15-C66 HydrophobicContact CD1-CB 3.9Å; F15-C66 WeakPolarHBondContact CD1-SG 3.37Å; F15-C66 HydrophobicContact CE1-CB 3.32Å; F15-C66 WeakPolarHBondContact CE1-SG 3.44Å; F15-C66 HydrophobicContact CE2-CB 4.31Å; F15-C66 HydrophobicContact CZ-CB 3.55Å; F15-C66 WeakPolarHBondContact CZ-O 3.34Å; F15-L70 HydrophobicContact CE2-CD1 3.72Å; F15-L70 HydrophobicContact CE2-CD2 3.95Å; F15-L70 HydrophobicContact CE2-CG 3.63Å; F15-L70 HydrophobicContact CZ-CD1 4.2Å; F15-L70 HydrophobicContact CZ-CD2 4.36Å; F15-L70 HydrophobicContact CZ-CG 3.78Å |
| 16 | E | 68.9 | Low | 70.3 | Confident | 99 Ų | 99 | 79.3 Ų | 79.3 | 46% | 0.463 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 179.7 | -73.4 | 174.5 | 176.9 | 0 | 0 | 111 | L12 Q13 Y18 C19 S20 | L12-E16 WeakPolarHBondContact O-CG 3.48Å; L12-E16 PolarHBondContact O-N 3.16Å; Q13-E16 PolarHBondContact O-N 3.21Å; E16-Y18 PolarHBondContact O-N 3.4Å; E16-C19 PolarHBondContact O-N 2.98Å; E16-S20 PolarHBondContact O-N 2.74Å |
| 17 | R | 73 | Confident | 69.7 | Low | 161 Ų | 161 | 73.5 Ų | 73.5 | 61% | 0.608 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58 | -48 | 174.8 | -175.9 | -178.8 | -178.6 | -176.9 | 2.2 | 111.1 | Q13 D14 F15 S20 | Q13-R17 WeakPolarHBondContact O-CB 3.49Å; Q13-R17 PolarHBondContact O-N 3.18Å; D14-R17 PolarHBondContact O-N 2.87Å; F15-R17 VanDerWaalsContact C-N 3.33Å; F15-R17 PolarHBondContact O-N 3.45Å; R17-S20 PolarHBondContact O-N 2.66Å; R17-S20 PolarHBondContact O-OG 2.79Å |
| 18 | Y | 70.7 | Confident | 68.7 | Low | 78 Ų | 78 | 71.4 Ų | 71.4 | 31% | 0.306 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.9 | -30.7 | 179.1 | -68.6 | -53.4 | 0 | 0 | 0 | 113.5 | D14 F15 E16 I21 E26 S30 | D14-Y18 HydrophobicContact CB-CE2 4.27Å; D14-Y18 WeakPolarHBondContact O-CD2 3.11Å; D14-Y18 PolarHBondContact O-N 2.74Å; F15-Y18 PolarHBondContact O-N 3.46Å; E16-Y18 PolarHBondContact O-N 3.4Å; Y18-I21 PolarHBondContact O-N 3.33Å; Y18-E26 HydrophobicContact CD1-CB 3.98Å; Y18-E26 HydrophobicContact CD2-CB 4.24Å; Y18-E26 HydrophobicContact CE1-CB 4.08Å; Y18-E26 HydrophobicContact CE2-CB 4.34Å; Y18-E26 HydrophobicContact CG-CB 4.08Å; Y18-S30 WeakPolarHBondContact CD2-OG 3.35Å |
| 19 | C | 60 | Low | 68.2 | Low | 7 Ų | 7 | 74.4 Ų | 74.4 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.7 | -36.9 | 173.1 | -73.1 | 0 | 0 | 0 | 0 | 112 | F15 E16 I21 Q73 | F15-C19 WeakPolarHBondContact CE2-SG 3.45Å; F15-C19 WeakPolarHBondContact CZ-SG 3.24Å; F15-C19 PolarHBondContact O-N 2.9Å; F15-C19 PolarHBondContact O-SG 2.76Å; F15-C19 VanDerWaalsContact O-SG 3.35Å; E16-C19 PolarHBondContact O-N 2.98Å; C19-I21 PolarHBondContact O-N 3.27Å; C19-Q73 PolarHBondContact O-NE2 2.95Å; C19-Q73 PolarHBondContact O-OE1 3.37Å |
| 20 | S | 55.4 | Low | 67.8 | Low | 94 Ų | 94 | 72.5 Ų | 72.5 | 66% | 0.657 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.7 | -25.5 | 177.7 | 75.8 | 0 | 0 | 0 | 0 | 113.2 | E16 R17 | E16-S20 PolarHBondContact O-N 2.74Å; R17-S20 PolarHBondContact O-N 2.66Å; R17-S20 PolarHBondContact O-OG 2.79Å |
| 21 | I | 50.8 | Low | 67.1 | Low | 80 Ų | 80 | 68.9 Ų | 68.9 | 41% | 0.41 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -103.9 | 78.5 | -178.2 | -52.4 | 167.3 | 0 | 0 | 0 | 108.7 | Y18 C19 | Y18-I21 PolarHBondContact O-N 3.33Å; C19-I21 PolarHBondContact O-N 3.27Å |
| 22 | K | 54.5 | Low | 66.4 | Low | 181 Ų | 181 | 70.3 Ų | 70.3 | 79% | 0.787 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 29.4 | 99.8 | 178.1 | -85.1 | -171.2 | 177.8 | -178.8 | 0 | 114.2 | K24 | K22-K24 WeakPolarHBondContact O-CG 3.33Å; K22-K24 PolarHBondContact O-N 3.42Å |
| 23 | L | 52.4 | Low | 66.5 | Low | 28 Ų | 28 | 74.7 Ų | 74.7 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | trans | -18.2 | 91.7 | -178.4 | -157.6 | 139.8 | 0 | 0 | 0 | 114.7 | V28 L70 Q73 R74 | L23-V28 HydrophobicContact CD2-CG2 4.39Å; L23-L70 HydrophobicContact CD1-CD2 3.61Å; L23-L70 HydrophobicContact CG-CD2 4.13Å; L23-Q73 HydrophobicContact CD1-CB 3.5Å; L23-Q73 HydrophobicContact CD1-CG 4.47Å; L23-R74 HydrophobicContact CD1-CG 4.32Å | ||
| 24 | K | 58.8 | Low | 66.3 | Low | 107 Ų | 107 | 70.1 Ų | 70.1 | 47% | 0.465 | 34% | 0.342 | S | S | . | . | trans | -95.8 | 166.1 | 176.7 | -53.1 | -172.6 | 174.2 | 177.5 | 0 | 111.1 | K22 E26 A27 | K22-K24 WeakPolarHBondContact O-CG 3.33Å; K22-K24 PolarHBondContact O-N 3.42Å; K24-E26 WeakPolarHBondContact CB-OE2 3.34Å; K24-E26 PolarHBondContact O-N 2.88Å; K24-E26 VanDerWaalsContact O-N 3.09Å; K24-A27 WeakPolarHBondContact O-CB 3.39Å; K24-A27 PolarHBondContact O-N 3.21Å | ||
| 25 | K | 65 | Low | 65.6 | Low | 184 Ų | 184 | 69.7 Ų | 69.7 | 80% | 0.8 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -53.1 | -31.2 | 175.9 | -174.8 | -179.5 | 176.9 | -176.1 | 0 | 111.8 | V28 S29 | K25-V28 PolarHBondContact O-N 2.96Å; K25-S29 PolarHBondContact O-N 3.23Å |
| 26 | E | 71.8 | Confident | 65.7 | Low | 91 Ų | 91 | 76.5 Ų | 76.5 | 43% | 0.425 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 177.5 | -62.9 | 78.8 | -176.3 | 0 | 0 | 112.2 | Y18 K24 V28 S29 S30 | Y18-E26 HydrophobicContact CD1-CB 3.98Å; Y18-E26 HydrophobicContact CD2-CB 4.24Å; Y18-E26 HydrophobicContact CE1-CB 4.08Å; Y18-E26 HydrophobicContact CE2-CB 4.34Å; Y18-E26 HydrophobicContact CG-CB 4.08Å; K24-E26 WeakPolarHBondContact CB-OE2 3.34Å; K24-E26 PolarHBondContact O-N 2.88Å; K24-E26 VanDerWaalsContact O-N 3.09Å; E26-V28 VanDerWaalsContact C-N 3.35Å; E26-V28 PolarHBondContact O-N 2.95Å; E26-S29 WeakPolarHBondContact O-CB 3.37Å; E26-S29 PolarHBondContact O-N 3.35Å; E26-S29 VanDerWaalsContact O-N 3.13Å; E26-S30 PolarHBondContact O-N 3.14Å; E26-S30 PolarHBondContact O-OG 2.66Å |
| 27 | A | 67 | Low | 66.5 | Low | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K24 S29 S30 F31 L70 | K24-A27 WeakPolarHBondContact O-CB 3.39Å; K24-A27 PolarHBondContact O-N 3.21Å; A27-S29 VanDerWaalsContact C-N 3.33Å; A27-S30 PolarHBondContact O-N 2.94Å; A27-F31 WeakPolarHBondContact O-CB 3.25Å; A27-F31 PolarHBondContact O-N 3.44Å; A27-L70 HydrophobicContact CB-CD2 4.41Å |
| 28 | V | 64.8 | Low | 66.7 | Low | 54 Ų | 54 | 65.6 Ų | 65.6 | 33% | 0.327 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 175.6 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | L23 K25 E26 F31 V32 | L23-V28 HydrophobicContact CD2-CG2 4.39Å; K25-V28 PolarHBondContact O-N 2.96Å; E26-V28 VanDerWaalsContact C-N 3.35Å; E26-V28 PolarHBondContact O-N 2.95Å; V28-F31 PolarHBondContact O-N 3.09Å; V28-V32 VanDerWaalsContact O-CG2 3.32Å; V28-V32 WeakPolarHBondContact O-CG2 3.44Å; V28-V32 PolarHBondContact O-N 2.68Å |
| 29 | S | 69.8 | Low | 66.7 | Low | 64 Ų | 64 | 64.6 Ų | 64.6 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 175.6 | -173.2 | 0 | 0 | 0 | 0 | 112 | K25 E26 A27 F31 V32 Q33 | K25-S29 PolarHBondContact O-N 3.23Å; E26-S29 WeakPolarHBondContact O-CB 3.37Å; E26-S29 PolarHBondContact O-N 3.35Å; E26-S29 VanDerWaalsContact O-N 3.13Å; A27-S29 VanDerWaalsContact C-N 3.33Å; S29-F31 PolarHBondContact O-N 3.19Å; S29-V32 PolarHBondContact O-N 3.43Å; S29-Q33 WeakPolarHBondContact O-CG 3.18Å; S29-Q33 PolarHBondContact O-N 2.85Å; S29-Q33 VanDerWaalsContact O-N 3.09Å |
| 30 | S | 72.1 | Confident | 67.7 | Low | 8 Ų | 8 | 71 Ų | 71 | 6% | 0.056 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 176.6 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | Y18 E26 A27 V32 Q33 L34 | Y18-S30 WeakPolarHBondContact CD2-OG 3.35Å; E26-S30 PolarHBondContact O-N 3.14Å; E26-S30 PolarHBondContact O-OG 2.66Å; A27-S30 PolarHBondContact O-N 2.94Å; S30-V32 PolarHBondContact O-N 3.22Å; S30-Q33 WeakPolarHBondContact O-CB 3.35Å; S30-Q33 PolarHBondContact O-N 2.74Å; S30-Q33 VanDerWaalsContact O-N 3.13Å; S30-L34 PolarHBondContact O-N 3.34Å |
| 31 | F | 69.6 | Low | 69 | Low | 13 Ų | 13 | 67 Ų | 67 | 6% | 0.057 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 174.9 | -176.7 | -110.9 | 0 | 0 | 0 | 112.8 | F15 A27 V28 S29 Q33 L34 L35 I63 C66 Y67 L70 | F15-F31 HydrophobicContact CD2-CB 3.81Å; F15-F31 HydrophobicContact CD2-CD2 4.45Å; F15-F31 HydrophobicContact CE2-CB 3.81Å; F15-F31 HydrophobicContact CE2-CD2 4.15Å; F15-F31 HydrophobicContact CE2-CG 4.29Å; A27-F31 WeakPolarHBondContact O-CB 3.25Å; A27-F31 PolarHBondContact O-N 3.44Å; V28-F31 PolarHBondContact O-N 3.09Å; S29-F31 PolarHBondContact O-N 3.19Å; F31-Q33 VanDerWaalsContact C-N 3.26Å; F31-Q33 PolarHBondContact O-N 2.86Å; F31-L34 WeakPolarHBondContact O-CB 3.33Å; F31-L34 PolarHBondContact O-N 2.92Å; F31-L35 HydrophobicContact CD1-CD1 4.04Å; F31-L35 HydrophobicContact CD1-CG 4.49Å; F31-L35 HydrophobicContact CE1-CD1 3.52Å; F31-L35 HydrophobicContact CE1-CD2 4.48Å; F31-L35 HydrophobicContact CE1-CG 4Å; F31-L35 HydrophobicContact CZ-CD1 3.98Å; F31-L35 HydrophobicContact CZ-CD2 4.11Å; F31-L35 HydrophobicContact CZ-CG 4Å; F31-L35 PolarHBondContact O-N 3.4Å; F31-I63 HydrophobicContact CE2-CG2 4.02Å; F31-I63 WeakPolarHBondContact CE2-O 3.44Å; F31-I63 HydrophobicContact CZ-CG2 4.23Å; F31-C66 HydrophobicContact CD2-CB 3.87Å; F31-C66 HydrophobicContact CE2-CB 3.84Å; F31-Y67 AromaticContact CE1-CD2 3.78Å; F31-Y67 HydrophobicContact CE1-CD2 3.78Å; F31-Y67 AromaticContact CZ-CD2 3.84Å; F31-Y67 HydrophobicContact CZ-CD2 3.84Å; F31-Y67 HydrophobicContact CZ-CG 4.12Å; F31-L70 HydrophobicContact CB-CD1 3.69Å; F31-L70 HydrophobicContact CD1-CD1 3.61Å; F31-L70 HydrophobicContact CD2-CD1 4.05Å; F31-L70 HydrophobicContact CE1-CD1 4.29Å; F31-L70 HydrophobicContact CG-CD1 3.48Å; F31-L70 VanDerWaalsContact CG-CD1 3.48Å |
| 32 | V | 67.7 | Low | 70.1 | Confident | 61 Ų | 61 | 64.3 Ų | 64.3 | 37% | 0.37 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63 | -34 | 174.3 | 170 | 0 | 0 | 0 | 0 | 111.4 | V28 S29 S30 L35 K36 | V28-V32 VanDerWaalsContact O-CG2 3.32Å; V28-V32 WeakPolarHBondContact O-CG2 3.44Å; V28-V32 PolarHBondContact O-N 2.68Å; S29-V32 PolarHBondContact O-N 3.43Å; S30-V32 PolarHBondContact O-N 3.22Å; V32-L35 PolarHBondContact O-N 3.39Å; V32-K36 HydrophobicContact CG1-CD 4.35Å; V32-K36 WeakPolarHBondContact O-CG 3.44Å; V32-K36 PolarHBondContact O-N 2.91Å |
| 33 | Q | 76.4 | Confident | 71.1 | Confident | 93 Ų | 93 | 60.4 Ų | 60.4 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 174 | -69 | 178.4 | -2.1 | 0 | 0 | 111.9 | M11 S29 S30 F31 L35 K36 W37 | M11-Q33 HydrophobicContact SD-CB 4.13Å; S29-Q33 WeakPolarHBondContact O-CG 3.18Å; S29-Q33 PolarHBondContact O-N 2.85Å; S29-Q33 VanDerWaalsContact O-N 3.09Å; S30-Q33 WeakPolarHBondContact O-CB 3.35Å; S30-Q33 PolarHBondContact O-N 2.74Å; S30-Q33 VanDerWaalsContact O-N 3.13Å; F31-Q33 VanDerWaalsContact C-N 3.26Å; F31-Q33 PolarHBondContact O-N 2.86Å; Q33-L35 VanDerWaalsContact C-N 3.34Å; Q33-L35 PolarHBondContact O-N 2.82Å; Q33-K36 PolarHBondContact O-N 3.48Å; Q33-W37 PolarHBondContact O-N 3.46Å |
| 34 | L | 74.4 | Confident | 72.4 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 173.4 | -72.7 | 168 | 0 | 0 | 0 | 111.8 | F8 M11 L12 F15 S30 F31 W37 L38 I63 | F8-L34 HydrophobicContact CD2-CD2 3.95Å; F8-L34 HydrophobicContact CE2-CD2 3.61Å; F8-L34 HydrophobicContact CZ-CD2 4.08Å; M11-L34 HydrophobicContact CB-CD2 3.61Å; M11-L34 HydrophobicContact CB-CG 4.15Å; L12-L34 HydrophobicContact CD1-CD1 4.44Å; F15-L34 HydrophobicContact CB-CD1 3.98Å; F15-L34 HydrophobicContact CG-CD1 4.19Å; S30-L34 PolarHBondContact O-N 3.34Å; F31-L34 WeakPolarHBondContact O-CB 3.33Å; F31-L34 PolarHBondContact O-N 2.92Å; L34-W37 PolarHBondContact O-N 3.31Å; L34-L38 PolarHBondContact O-N 3.36Å; L34-I63 HydrophobicContact CB-CD1 4.26Å; L34-I63 HydrophobicContact CB-CG1 4.1Å |
| 35 | L | 64.8 | Low | 73.3 | Confident | 56 Ų | 56 | 56.1 Ų | 56.1 | 29% | 0.293 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 176.7 | -72.3 | 176.2 | 0 | 0 | 0 | 112.5 | F31 V32 Q33 W37 L38 A39 I63 | F31-L35 HydrophobicContact CD1-CD1 4.04Å; F31-L35 HydrophobicContact CD1-CG 4.49Å; F31-L35 HydrophobicContact CE1-CD1 3.52Å; F31-L35 HydrophobicContact CE1-CD2 4.48Å; F31-L35 HydrophobicContact CE1-CG 4Å; F31-L35 HydrophobicContact CZ-CD1 3.98Å; F31-L35 HydrophobicContact CZ-CD2 4.11Å; F31-L35 HydrophobicContact CZ-CG 4Å; F31-L35 PolarHBondContact O-N 3.4Å; V32-L35 PolarHBondContact O-N 3.39Å; Q33-L35 VanDerWaalsContact C-N 3.34Å; Q33-L35 PolarHBondContact O-N 2.82Å; L35-W37 VanDerWaalsContact C-N 3.31Å; L35-W37 PolarHBondContact O-N 3Å; L35-L38 PolarHBondContact O-N 3Å; L35-A39 WeakPolarHBondContact O-CB 3.25Å; L35-A39 PolarHBondContact O-N 3.43Å; L35-I63 HydrophobicContact CD2-CG2 3.6Å |
| 36 | K | 72.8 | Confident | 73.8 | Confident | 147 Ų | 147 | 51.8 Ų | 51.8 | 64% | 0.639 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 176.3 | -76.8 | 178.6 | 178.2 | -177.6 | 0 | 111.7 | V32 Q33 K40 | V32-K36 HydrophobicContact CG1-CD 4.35Å; V32-K36 WeakPolarHBondContact O-CG 3.44Å; V32-K36 PolarHBondContact O-N 2.91Å; Q33-K36 PolarHBondContact O-N 3.48Å; K36-K40 WeakPolarHBondContact O-CB 3.44Å; K36-K40 PolarHBondContact O-N 3.38Å |
| 37 | W | 85.6 | Confident | 74.2 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.8 | -48.1 | 175.8 | -174.7 | 96.2 | 0 | 0 | 0 | 110.8 | E4 F8 M11 Q33 L34 L35 A39 K40 H41 W52 F55 I56 C59 | E4-W37 HydrophobicContact CB-CZ2 4.16Å; E4-W37 PolarHBondContact OE2-NE1 3.43Å; F8-W37 HydrophobicContact CB-CH2 4.42Å; F8-W37 HydrophobicContact CB-CZ2 4.27Å; F8-W37 AromaticContact CD2-CD2 4Å; F8-W37 HydrophobicContact CD2-CD2 4Å; F8-W37 AromaticContact CD2-CE3 3.54Å; F8-W37 HydrophobicContact CD2-CE3 3.54Å; F8-W37 HydrophobicContact CD2-CH2 4.31Å; F8-W37 AromaticContact CD2-CZ3 3.73Å; F8-W37 HydrophobicContact CD2-CZ3 3.73Å; F8-W37 HydrophobicContact CE2-CE3 4.09Å; F8-W37 HydrophobicContact CE2-CZ3 4.27Å; F8-W37 HydrophobicContact CG-CE3 4.49Å; F8-W37 HydrophobicContact CG-CZ3 4.4Å; M11-W37 HydrophobicContact CE-CB 3.7Å; M11-W37 HydrophobicContact CE-CD2 4.33Å; M11-W37 HydrophobicContact CE-CG 3.57Å; M11-W37 HydrophobicContact SD-CB 4.4Å; Q33-W37 PolarHBondContact O-N 3.46Å; L34-W37 PolarHBondContact O-N 3.31Å; L35-W37 VanDerWaalsContact C-N 3.31Å; L35-W37 PolarHBondContact O-N 3Å; W37-A39 PolarHBondContact O-N 3.16Å; W37-K40 WeakPolarHBondContact O-CB 3.45Å; W37-K40 PolarHBondContact O-N 3.43Å; W37-H41 AromaticContact CD1-CD2 3.76Å; W37-H41 AromaticContact CD2-CD2 3.73Å; W37-H41 AromaticContact CE2-CD2 3.42Å; W37-H41 VanDerWaalsContact CE2-CD2 3.42Å; W37-H41 HydrophobicContact CE3-CB 4.46Å; W37-H41 AromaticContact CG-CD2 3.95Å; W37-H41 HydrophobicContact CH2-CB 4.13Å; W37-H41 HydrophobicContact CZ2-CB 4.28Å; W37-H41 AromaticContact CZ2-CD2 3.88Å; W37-H41 AromaticContact CZ2-CG 4Å; W37-H41 HydrophobicContact CZ3-CB 4.22Å; W37-H41 AromaticContact NE1-CD2 3.43Å; W37-H41 PolarHBondContact NE1-CD2 3.01Å; W37-H41 AromaticContact NE1-NE2 3.63Å; W37-H41 PolarHBondContact O-CD2 3.42Å; W37-H41 VanDerWaalsContact O-CD2 3.29Å; W37-H41 PolarHBondContact O-N 3.37Å; W37-H41 VanDerWaalsContact O-N 3.09Å; W37-W52 HydrophobicContact CH2-CH2 4.37Å; W37-W52 HydrophobicContact CZ2-CH2 4.27Å; W37-F55 HydrophobicContact CH2-CD1 4.47Å; W37-F55 AromaticContact CH2-CE1 3.6Å; W37-F55 HydrophobicContact CH2-CE1 3.6Å; W37-F55 AromaticContact CH2-CZ 3.91Å; W37-F55 HydrophobicContact CH2-CZ 3.91Å; W37-F55 HydrophobicContact CZ2-CE1 4.1Å; W37-F55 HydrophobicContact CZ2-CZ 4.42Å; W37-I56 HydrophobicContact CH2-CD1 4.04Å; W37-I56 HydrophobicContact CZ3-CD1 4.02Å; W37-C59 HydrophobicContact CZ3-CB 4.23Å |
| 38 | L | 77.3 | Confident | 74.7 | Confident | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.063 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 179.1 | -176.9 | 68.3 | 0 | 0 | 0 | 111 | L34 L35 K40 H41 E42 I56 C59 R60 I63 | L34-L38 PolarHBondContact O-N 3.36Å; L35-L38 PolarHBondContact O-N 3Å; L38-K40 PolarHBondContact O-N 3.07Å; L38-K40 VanDerWaalsContact O-N 3.16Å; L38-H41 PolarHBondContact O-N 3.32Å; L38-E42 HydrophobicContact CD1-CB 4.05Å; L38-E42 HydrophobicContact CG-CB 4.2Å; L38-E42 WeakPolarHBondContact O-CB 3.36Å; L38-E42 PolarHBondContact O-N 3.12Å; L38-I56 HydrophobicContact CD1-CG2 4.21Å; L38-C59 HydrophobicContact CD1-CB 4.22Å; L38-R60 HydrophobicContact CD1-CG 4.09Å; L38-R60 HydrophobicContact CD2-CG 4Å; L38-I63 HydrophobicContact CB-CD1 3.52Å; L38-I63 HydrophobicContact CD1-CD1 4.38Å; L38-I63 HydrophobicContact CD2-CD1 3.64Å; L38-I63 HydrophobicContact CG-CD1 4.03Å |
| 39 | A | 70.1 | Confident | 75.3 | Confident | 57 Ų | 57 | 58.1 Ų | 58.1 | 47% | 0.471 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.9 | -32.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | L35 W37 P43 | L35-A39 WeakPolarHBondContact O-CB 3.25Å; L35-A39 PolarHBondContact O-N 3.43Å; W37-A39 PolarHBondContact O-N 3.16Å; A39-P43 VanDerWaalsContact O-CD 3.29Å; A39-P43 WeakPolarHBondContact O-CD 3.13Å |
| 40 | K | 80.1 | Confident | 75.6 | Confident | 142 Ų | 142 | 62.7 Ų | 62.7 | 62% | 0.617 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -73.2 | -40.2 | 175.7 | -179.6 | -174.3 | 171.5 | -159.5 | 0 | 112.5 | K36 W37 L38 | K36-K40 WeakPolarHBondContact O-CB 3.44Å; K36-K40 PolarHBondContact O-N 3.38Å; W37-K40 WeakPolarHBondContact O-CB 3.45Å; W37-K40 PolarHBondContact O-N 3.43Å; L38-K40 PolarHBondContact O-N 3.07Å; L38-K40 VanDerWaalsContact O-N 3.16Å |
| 41 | H | 82.9 | Confident | 75.5 | Confident | 9 Ų | 9 | 68.5 Ų | 68.5 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -100.2 | -28.2 | -167.8 | -74.8 | -75 | 0 | 0 | 0 | 114.3 | E4 W37 L38 T44 A45 W52 I56 | E4-H41 IonicContact OE2-CE1 2.76Å; E4-H41 IonicContact OE2-NE2 3.71Å; E4-H41 PolarHBondContact OE2-NE2 2.91Å; W37-H41 AromaticContact CD1-CD2 3.76Å; W37-H41 AromaticContact CD2-CD2 3.73Å; W37-H41 AromaticContact CE2-CD2 3.42Å; W37-H41 VanDerWaalsContact CE2-CD2 3.42Å; W37-H41 HydrophobicContact CE3-CB 4.46Å; W37-H41 AromaticContact CG-CD2 3.95Å; W37-H41 HydrophobicContact CH2-CB 4.13Å; W37-H41 HydrophobicContact CZ2-CB 4.28Å; W37-H41 AromaticContact CZ2-CD2 3.88Å; W37-H41 AromaticContact CZ2-CG 4Å; W37-H41 HydrophobicContact CZ3-CB 4.22Å; W37-H41 AromaticContact NE1-CD2 3.43Å; W37-H41 PolarHBondContact NE1-CD2 3.01Å; W37-H41 AromaticContact NE1-NE2 3.63Å; W37-H41 PolarHBondContact O-CD2 3.42Å; W37-H41 VanDerWaalsContact O-CD2 3.29Å; W37-H41 PolarHBondContact O-N 3.37Å; W37-H41 VanDerWaalsContact O-N 3.09Å; L38-H41 PolarHBondContact O-N 3.32Å; H41-T44 WeakPolarHBondContact O-CA 3.48Å; H41-T44 WeakPolarHBondContact O-CB 3.42Å; H41-T44 PolarHBondContact O-N 3.22Å; H41-T44 PolarHBondContact O-OG1 3.45Å; H41-A45 PolarHBondContact O-N 3.25Å; H41-W52 HydrophobicContact CB-CZ2 4.15Å; H41-W52 AromaticContact ND1-CZ2 3.88Å; H41-I56 HydrophobicContact CB-CD1 3.99Å |
| 42 | E | 74.2 | Confident | 75.9 | Confident | 25 Ų | 25 | 68.2 Ų | 68.2 | 12% | 0.117 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -57.2 | -42.7 | -179.8 | 176.1 | -175.4 | -139.2 | 0 | 0 | 113.7 | L38 T44 A45 I56 R60 | L38-E42 HydrophobicContact CD1-CB 4.05Å; L38-E42 HydrophobicContact CG-CB 4.2Å; L38-E42 WeakPolarHBondContact O-CB 3.36Å; L38-E42 PolarHBondContact O-N 3.12Å; E42-T44 PolarHBondContact O-N 2.98Å; E42-T44 VanDerWaalsContact O-N 3.13Å; E42-A45 WeakPolarHBondContact O-CB 3.37Å; E42-A45 PolarHBondContact O-N 2.91Å; E42-I56 HydrophobicContact CB-CG2 4.15Å; E42-I56 HydrophobicContact CG-CG2 4.14Å; E42-R60 VanDerWaalsContact CD-NH2 3.33Å; E42-R60 VanDerWaalsContact CG-NH2 3.27Å; E42-R60 IonicContact OE1-CZ 2.7Å; E42-R60 IonicContact OE1-NE 3.47Å; E42-R60 PolarHBondContact OE1-NE 3.48Å; E42-R60 IonicContact OE1-NH2 3.27Å; E42-R60 PolarHBondContact OE1-NH2 3.09Å |
| 43 | P | 76.4 | Confident | 76.2 | Confident | 98 Ų | 98 | 68.9 Ų | 68.9 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -63 | -23.1 | 176.3 | -22.7 | 34.8 | 0 | 0 | 0 | 113.2 | A39 A45 | A39-P43 VanDerWaalsContact O-CD 3.29Å; A39-P43 WeakPolarHBondContact O-CD 3.13Å; P43-A45 VanDerWaalsContact C-N 3.32Å |
| 44 | T | 78.6 | Confident | 75.9 | Confident | 35 Ų | 35 | 66.5 Ų | 66.5 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -87 | -2.6 | 178 | 75.1 | 0 | 0 | 0 | 0 | 113 | H41 E42 S46 S47 R48 W52 | H41-T44 WeakPolarHBondContact O-CA 3.48Å; H41-T44 WeakPolarHBondContact O-CB 3.42Å; H41-T44 PolarHBondContact O-N 3.22Å; H41-T44 PolarHBondContact O-OG1 3.45Å; E42-T44 PolarHBondContact O-N 2.98Å; E42-T44 VanDerWaalsContact O-N 3.13Å; T44-S46 VanDerWaalsContact C-N 3.33Å; T44-S46 PolarHBondContact O-N 3.29Å; T44-S47 PolarHBondContact O-N 2.84Å; T44-S47 PolarHBondContact O-OG 2.97Å; T44-R48 PolarHBondContact O-N 3.42Å; T44-W52 PolarHBondContact OG1-NE1 3.4Å |
| 45 | A | 78.2 | Confident | 75.8 | Confident | 10 Ų | 10 | 66.6 Ų | 66.6 | 8% | 0.083 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -52.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H41 E42 P43 S47 Q53 I56 | H41-A45 PolarHBondContact O-N 3.25Å; E42-A45 WeakPolarHBondContact O-CB 3.37Å; E42-A45 PolarHBondContact O-N 2.91Å; P43-A45 VanDerWaalsContact C-N 3.32Å; A45-S47 PolarHBondContact O-N 3.5Å; A45-Q53 HydrophobicContact CB-CG 4.3Å; A45-Q53 WeakPolarHBondContact O-CG 3.19Å; A45-I56 HydrophobicContact CB-CB 4.16Å; A45-I56 HydrophobicContact CB-CG1 4.09Å; A45-I56 HydrophobicContact CB-CG2 4.14Å |
| 46 | S | 75 | Confident | 76.4 | Confident | 94 Ų | 94 | 64 Ų | 64 | 66% | 0.657 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -65.3 | -36.6 | -172.9 | -58.1 | 0 | 0 | 0 | 0 | 113.7 | T44 Q53 | T44-S46 VanDerWaalsContact C-N 3.33Å; T44-S46 PolarHBondContact O-N 3.29Å; S46-Q53 PolarHBondContact O-NE2 3.02Å |
| 47 | S | 79.8 | Confident | 76.2 | Confident | 103 Ų | 103 | 57.4 Ų | 57.4 | 72% | 0.72 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -84.2 | -17.9 | -172.9 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | T44 A45 | T44-S47 PolarHBondContact O-N 2.84Å; T44-S47 PolarHBondContact O-OG 2.97Å; A45-S47 PolarHBondContact O-N 3.5Å |
| 48 | R | 77.9 | Confident | 75.3 | Confident | 139 Ų | 139 | 56.5 Ų | 56.5 | 53% | 0.525 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -96.3 | 5.4 | -175.5 | -70 | 179.9 | 170.5 | -157 | -2 | 114.7 | T44 W52 | T44-R48 PolarHBondContact O-N 3.42Å; R48-W52 HydrophobicContact CB-CB 3.83Å; R48-W52 VanDerWaalsContact CB-CD1 3.45Å; R48-W52 HydrophobicContact CB-CG 3.68Å |
| 49 | G | 78 | Confident | 74.8 | Confident | 36 Ų | 36 | 56 Ų | 56 | 37% | 0.371 | 31% | 0.306 | S | S | . | . | trans | 96.9 | 169.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E51 W52 Q53 | G49-E51 PolarHBondContact O-N 3.42Å; G49-W52 PolarHBondContact O-N 2.85Å; G49-Q53 WeakPolarHBondContact O-CG 3.12Å; G49-Q53 PolarHBondContact O-N 2.93Å; G49-Q53 VanDerWaalsContact O-N 3.12Å | ||
| 50 | K | 75.4 | Confident | 74.6 | Confident | 160 Ų | 160 | 56.6 Ų | 56.6 | 70% | 0.696 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.6 | -43.1 | -169.5 | -69.5 | -173.9 | 177.7 | -177.4 | 0 | 113.5 | W52 Q53 H54 | K50-W52 VanDerWaalsContact C-N 3.28Å; K50-W52 PolarHBondContact O-N 3.07Å; K50-Q53 WeakPolarHBondContact O-CB 2.99Å; K50-Q53 PolarHBondContact O-N 3.26Å; K50-Q53 VanDerWaalsContact O-N 3.11Å; K50-H54 PolarHBondContact O-CD2 3.14Å; K50-H54 PolarHBondContact O-N 3.32Å |
| 51 | E | 70.6 | Confident | 73.8 | Confident | 129 Ų | 129 | 49.9 Ų | 49.9 | 60% | 0.603 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59 | -41.2 | 178 | -68.9 | -176.3 | 168.4 | 0 | 0 | 111.9 | M1 G49 H54 F55 | M1-E51 HydrophobicContact CE-CB 4.25Å; M1-E51 HydrophobicContact SD-CB 4.4Å; G49-E51 PolarHBondContact O-N 3.42Å; E51-H54 PolarHBondContact O-N 2.87Å; E51-F55 WeakPolarHBondContact O-CB 3.38Å; E51-F55 PolarHBondContact O-N 2.95Å |
| 52 | W | 77.3 | Confident | 73 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.1 | -37.6 | 176.2 | -170.4 | -107.3 | 0 | 0 | 0 | 112 | M1 E4 W37 H41 T44 R48 G49 K50 F55 I56 | M1-W52 HydrophobicContact CB-CE3 4.35Å; M1-W52 HydrophobicContact CB-CZ3 4.33Å; M1-W52 HydrophobicContact CE-CE3 4.46Å; M1-W52 HydrophobicContact CG-CE3 3.8Å; M1-W52 HydrophobicContact CG-CZ3 3.87Å; M1-W52 HydrophobicContact SD-CE3 4.05Å; E4-W52 HydrophobicContact CB-CH2 3.69Å; E4-W52 HydrophobicContact CB-CZ3 4.17Å; E4-W52 HydrophobicContact CG-CH2 4.27Å; W37-W52 HydrophobicContact CH2-CH2 4.37Å; W37-W52 HydrophobicContact CZ2-CH2 4.27Å; H41-W52 HydrophobicContact CB-CZ2 4.15Å; H41-W52 AromaticContact ND1-CZ2 3.88Å; T44-W52 PolarHBondContact OG1-NE1 3.4Å; R48-W52 HydrophobicContact CB-CB 3.83Å; R48-W52 VanDerWaalsContact CB-CD1 3.45Å; R48-W52 HydrophobicContact CB-CG 3.68Å; G49-W52 PolarHBondContact O-N 2.85Å; K50-W52 VanDerWaalsContact C-N 3.28Å; K50-W52 PolarHBondContact O-N 3.07Å; W52-F55 HydrophobicContact CD2-CD1 4.37Å; W52-F55 AromaticContact CE3-CD1 3.72Å; W52-F55 HydrophobicContact CE3-CD1 3.72Å; W52-F55 HydrophobicContact CE3-CE1 4.39Å; W52-F55 AromaticContact CH2-CD1 3.92Å; W52-F55 HydrophobicContact CH2-CD1 3.92Å; W52-F55 AromaticContact CH2-CE1 3.83Å; W52-F55 HydrophobicContact CH2-CE1 3.83Å; W52-F55 AromaticContact CZ3-CD1 3.46Å; W52-F55 HydrophobicContact CZ3-CD1 3.46Å; W52-F55 VanDerWaalsContact CZ3-CD1 3.46Å; W52-F55 AromaticContact CZ3-CE1 3.67Å; W52-F55 HydrophobicContact CZ3-CE1 3.67Å; W52-F55 PolarHBondContact O-N 3.29Å; W52-I56 HydrophobicContact CZ2-CD1 4.26Å; W52-I56 VanDerWaalsContact O-CG1 3.26Å; W52-I56 WeakPolarHBondContact O-CG1 3.35Å; W52-I56 PolarHBondContact O-N 3.41Å |
| 53 | Q | 74.2 | Confident | 72.5 | Confident | 75 Ų | 75 | 48.4 Ų | 48.4 | 35% | 0.35 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 172.7 | -64.7 | 173 | 7.8 | 0 | 0 | 112 | A45 S46 G49 K50 F55 I56 A57 | A45-Q53 HydrophobicContact CB-CG 4.3Å; A45-Q53 WeakPolarHBondContact O-CG 3.19Å; S46-Q53 PolarHBondContact O-NE2 3.02Å; G49-Q53 WeakPolarHBondContact O-CG 3.12Å; G49-Q53 PolarHBondContact O-N 2.93Å; G49-Q53 VanDerWaalsContact O-N 3.12Å; K50-Q53 WeakPolarHBondContact O-CB 2.99Å; K50-Q53 PolarHBondContact O-N 3.26Å; K50-Q53 VanDerWaalsContact O-N 3.11Å; Q53-F55 VanDerWaalsContact C-N 3.34Å; Q53-I56 PolarHBondContact O-N 3.2Å; Q53-A57 PolarHBondContact O-N 3.48Å |
| 54 | H | 71.3 | Confident | 71.8 | Confident | 43 Ų | 43 | 43.9 Ų | 43.9 | 20% | 0.199 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 177.3 | -63.7 | -40.2 | 0 | 0 | 0 | 111.5 | K50 E51 A57 Y58 S109 I110 | K50-H54 PolarHBondContact O-CD2 3.14Å; K50-H54 PolarHBondContact O-N 3.32Å; E51-H54 PolarHBondContact O-N 2.87Å; H54-A57 PolarHBondContact O-N 2.85Å; H54-Y58 PolarHBondContact O-N 3.29Å; H54-S109 PolarHBondContact CE1-OG 3.06Å; H54-S109 PolarHBondContact ND1-OG 2.92Å; H54-S109 VanDerWaalsContact ND1-OG 3.1Å; H54-S109 PolarHBondContact NE2-OG 3.32Å; H54-I110 HydrophobicContact CB-CG1 4.21Å |
| 55 | F | 71.3 | Confident | 71 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 172.9 | 174.3 | -137.7 | 0 | 0 | 0 | 112.2 | M1 F8 W37 E51 W52 Q53 A57 Y58 C59 W116 | M1-F55 HydrophobicContact CE-CB 3.92Å; M1-F55 HydrophobicContact CE-CG 4.41Å; F8-F55 HydrophobicContact CB-CZ 4.03Å; F8-F55 HydrophobicContact CD1-CE2 4.34Å; F8-F55 HydrophobicContact CD1-CZ 4.42Å; F8-F55 HydrophobicContact CG-CZ 4.29Å; W37-F55 HydrophobicContact CH2-CD1 4.47Å; W37-F55 AromaticContact CH2-CE1 3.6Å; W37-F55 HydrophobicContact CH2-CE1 3.6Å; W37-F55 AromaticContact CH2-CZ 3.91Å; W37-F55 HydrophobicContact CH2-CZ 3.91Å; W37-F55 HydrophobicContact CZ2-CE1 4.1Å; W37-F55 HydrophobicContact CZ2-CZ 4.42Å; E51-F55 WeakPolarHBondContact O-CB 3.38Å; E51-F55 PolarHBondContact O-N 2.95Å; W52-F55 HydrophobicContact CD2-CD1 4.37Å; W52-F55 AromaticContact CE3-CD1 3.72Å; W52-F55 HydrophobicContact CE3-CD1 3.72Å; W52-F55 HydrophobicContact CE3-CE1 4.39Å; W52-F55 AromaticContact CH2-CD1 3.92Å; W52-F55 HydrophobicContact CH2-CD1 3.92Å; W52-F55 AromaticContact CH2-CE1 3.83Å; W52-F55 HydrophobicContact CH2-CE1 3.83Å; W52-F55 AromaticContact CZ3-CD1 3.46Å; W52-F55 HydrophobicContact CZ3-CD1 3.46Å; W52-F55 VanDerWaalsContact CZ3-CD1 3.46Å; W52-F55 AromaticContact CZ3-CE1 3.67Å; W52-F55 HydrophobicContact CZ3-CE1 3.67Å; W52-F55 PolarHBondContact O-N 3.29Å; Q53-F55 VanDerWaalsContact C-N 3.34Å; F55-A57 VanDerWaalsContact C-N 3.3Å; F55-A57 PolarHBondContact O-N 2.95Å; F55-Y58 AromaticContact CD2-CD1 3.94Å; F55-Y58 HydrophobicContact CD2-CD1 3.94Å; F55-Y58 HydrophobicContact CE2-CD1 4.02Å; F55-Y58 HydrophobicContact CE2-CE1 4.46Å; F55-Y58 WeakPolarHBondContact O-CA 3.46Å; F55-Y58 VanDerWaalsContact O-CB 3.31Å; F55-Y58 WeakPolarHBondContact O-CB 3.09Å; F55-Y58 PolarHBondContact O-N 3.41Å; F55-Y58 VanDerWaalsContact O-N 3.12Å; F55-C59 WeakPolarHBondContact CE2-SG 3.3Å; F55-C59 WeakPolarHBondContact CZ-SG 3.25Å; F55-C59 PolarHBondContact O-N 3.49Å; F55-C59 PolarHBondContact O-SG 2.93Å; F55-C59 VanDerWaalsContact O-SG 3.38Å; F55-W116 HydrophobicContact CB-CH2 3.51Å; F55-W116 HydrophobicContact CB-CZ2 3.81Å; F55-W116 HydrophobicContact CB-CZ3 4.2Å; F55-W116 AromaticContact CD1-CH2 3.98Å; F55-W116 HydrophobicContact CD1-CH2 3.98Å; F55-W116 HydrophobicContact CD1-CZ3 4.17Å; F55-W116 HydrophobicContact CD2-CD2 4.13Å; F55-W116 AromaticContact CD2-CE3 3.36Å; F55-W116 HydrophobicContact CD2-CE3 3.36Å; F55-W116 AromaticContact CD2-CH2 3.06Å; F55-W116 HydrophobicContact CD2-CH2 3.06Å; F55-W116 AromaticContact CD2-CZ2 3.87Å; F55-W116 HydrophobicContact CD2-CZ2 3.87Å; F55-W116 AromaticContact CD2-CZ3 2.79Å; F55-W116 HydrophobicContact CD2-CZ3 2.79Å; F55-W116 HydrophobicContact CE1-CH2 4.46Å; F55-W116 HydrophobicContact CE1-CZ3 4.26Å; F55-W116 AromaticContact CE2-CE3 3.44Å; F55-W116 HydrophobicContact CE2-CE3 3.44Å; F55-W116 VanDerWaalsContact CE2-CE3 3.44Å; F55-W116 AromaticContact CE2-CH2 3.67Å; F55-W116 HydrophobicContact CE2-CH2 3.67Å; F55-W116 AromaticContact CE2-CZ3 2.92Å; F55-W116 HydrophobicContact CE2-CZ3 2.92Å; F55-W116 HydrophobicContact CG-CE3 4.37Å; F55-W116 AromaticContact CG-CH2 3.22Å; F55-W116 HydrophobicContact CG-CH2 3.22Å; F55-W116 HydrophobicContact CG-CZ2 4.01Å; F55-W116 AromaticContact CG-CZ3 3.48Å; F55-W116 HydrophobicContact CG-CZ3 3.48Å; F55-W116 VanDerWaalsContact CG-CZ3 3.48Å; F55-W116 HydrophobicContact CZ-CE3 4.5Å; F55-W116 HydrophobicContact CZ-CH2 4.33Å; F55-W116 AromaticContact CZ-CZ3 3.7Å; F55-W116 HydrophobicContact CZ-CZ3 3.7Å |
| 56 | I | 77.6 | Confident | 70.3 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 177.5 | -67.1 | -70.1 | 0 | 0 | 0 | 111.1 | W37 L38 H41 E42 A45 W52 Q53 Y58 C59 R60 | W37-I56 HydrophobicContact CH2-CD1 4.04Å; W37-I56 HydrophobicContact CZ3-CD1 4.02Å; L38-I56 HydrophobicContact CD1-CG2 4.21Å; H41-I56 HydrophobicContact CB-CD1 3.99Å; E42-I56 HydrophobicContact CB-CG2 4.15Å; E42-I56 HydrophobicContact CG-CG2 4.14Å; A45-I56 HydrophobicContact CB-CB 4.16Å; A45-I56 HydrophobicContact CB-CG1 4.09Å; A45-I56 HydrophobicContact CB-CG2 4.14Å; W52-I56 HydrophobicContact CZ2-CD1 4.26Å; W52-I56 VanDerWaalsContact O-CG1 3.26Å; W52-I56 WeakPolarHBondContact O-CG1 3.35Å; W52-I56 PolarHBondContact O-N 3.41Å; Q53-I56 PolarHBondContact O-N 3.2Å; I56-Y58 VanDerWaalsContact C-N 3.33Å; I56-Y58 PolarHBondContact O-N 2.82Å; I56-C59 PolarHBondContact O-N 3.26Å; I56-R60 WeakPolarHBondContact O-CG 3.38Å; I56-R60 PolarHBondContact O-N 3.32Å |
| 57 | A | 67.6 | Low | 69.7 | Low | 10 Ų | 10 | 39.9 Ų | 39.9 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q53 H54 F55 R60 C61 L107 | Q53-A57 PolarHBondContact O-N 3.48Å; H54-A57 PolarHBondContact O-N 2.85Å; F55-A57 VanDerWaalsContact C-N 3.3Å; F55-A57 PolarHBondContact O-N 2.95Å; A57-R60 PolarHBondContact O-N 3.17Å; A57-C61 PolarHBondContact O-N 2.92Å; A57-C61 VanDerWaalsContact O-N 3.14Å; A57-C61 PolarHBondContact O-SG 2.95Å; A57-L107 HydrophobicContact CB-CD2 4.27Å |
| 58 | Y | 67.2 | Low | 68.8 | Low | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.4 | -50.8 | 171 | 163.9 | -105.9 | 0 | 0 | 0 | 111.9 | F8 H54 F55 I56 R60 C61 Q62 W116 N119 C120 | F8-Y58 HydrophobicContact CE1-CE1 4.32Å; H54-Y58 PolarHBondContact O-N 3.29Å; F55-Y58 AromaticContact CD2-CD1 3.94Å; F55-Y58 HydrophobicContact CD2-CD1 3.94Å; F55-Y58 HydrophobicContact CE2-CD1 4.02Å; F55-Y58 HydrophobicContact CE2-CE1 4.46Å; F55-Y58 WeakPolarHBondContact O-CA 3.46Å; F55-Y58 VanDerWaalsContact O-CB 3.31Å; F55-Y58 WeakPolarHBondContact O-CB 3.09Å; F55-Y58 PolarHBondContact O-N 3.41Å; F55-Y58 VanDerWaalsContact O-N 3.12Å; I56-Y58 VanDerWaalsContact C-N 3.33Å; I56-Y58 PolarHBondContact O-N 2.82Å; Y58-R60 VanDerWaalsContact C-N 3.26Å; Y58-R60 PolarHBondContact O-N 3.21Å; Y58-C61 WeakPolarHBondContact O-CB 3.3Å; Y58-C61 PolarHBondContact O-N 3.28Å; Y58-Q62 HydrophobicContact CD1-CG 4.39Å; Y58-Q62 HydrophobicContact CD2-CG 4.01Å; Y58-Q62 HydrophobicContact CE1-CG 3.92Å; Y58-Q62 HydrophobicContact CE2-CG 3.58Å; Y58-Q62 HydrophobicContact CG-CG 4.46Å; Y58-Q62 PolarHBondContact O-N 3.2Å; Y58-W116 HydrophobicContact CD1-CB 4Å; Y58-W116 HydrophobicContact CD1-CD2 4.09Å; Y58-W116 AromaticContact CD1-CE3 3.89Å; Y58-W116 HydrophobicContact CD1-CE3 3.89Å; Y58-W116 HydrophobicContact CD1-CG 4.2Å; Y58-W116 HydrophobicContact CD2-CB 4.16Å; Y58-W116 HydrophobicContact CE1-CB 3.58Å; Y58-W116 HydrophobicContact CE1-CD2 4.27Å; Y58-W116 AromaticContact CE1-CE3 3.93Å; Y58-W116 HydrophobicContact CE1-CE3 3.93Å; Y58-W116 HydrophobicContact CE1-CG 4.21Å; Y58-W116 HydrophobicContact CE2-CB 3.68Å; Y58-W116 HydrophobicContact CG-CB 4.25Å; Y58-W116 HydrophobicContact CG-CG 4.42Å; Y58-N119 HydrophobicContact CE2-CB 4.03Å; Y58-C120 WeakPolarHBondContact CD2-SG 3.23Å |
| 59 | C | 67.1 | Low | 68.1 | Low | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.2 | -40.7 | 178 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | F8 W37 L38 F55 I56 Q62 I63 | F8-C59 HydrophobicContact CD2-CB 4.4Å; F8-C59 HydrophobicContact CE1-CB 4.11Å; F8-C59 VanDerWaalsContact CE1-SG 3.57Å; F8-C59 HydrophobicContact CE2-CB 3.79Å; F8-C59 HydrophobicContact CZ-CB 3.63Å; W37-C59 HydrophobicContact CZ3-CB 4.23Å; L38-C59 HydrophobicContact CD1-CB 4.22Å; F55-C59 WeakPolarHBondContact CE2-SG 3.3Å; F55-C59 WeakPolarHBondContact CZ-SG 3.25Å; F55-C59 PolarHBondContact O-N 3.49Å; F55-C59 PolarHBondContact O-SG 2.93Å; F55-C59 VanDerWaalsContact O-SG 3.38Å; I56-C59 PolarHBondContact O-N 3.26Å; C59-Q62 PolarHBondContact O-N 3.36Å; C59-I63 WeakPolarHBondContact O-CB 3.28Å; C59-I63 WeakPolarHBondContact O-CG1 3.38Å; C59-I63 PolarHBondContact O-N 3.49Å |
| 60 | R | 66.2 | Low | 67.4 | Low | 70 Ų | 70 | 28.7 Ų | 28.7 | 26% | 0.264 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 174 | -74.9 | 172.4 | 175.8 | 168 | -6 | 111.2 | L38 E42 I56 A57 Y58 Q62 I63 V64 L103 | L38-R60 HydrophobicContact CD1-CG 4.09Å; L38-R60 HydrophobicContact CD2-CG 4Å; E42-R60 VanDerWaalsContact CD-NH2 3.33Å; E42-R60 VanDerWaalsContact CG-NH2 3.27Å; E42-R60 IonicContact OE1-CZ 2.7Å; E42-R60 IonicContact OE1-NE 3.47Å; E42-R60 PolarHBondContact OE1-NE 3.48Å; E42-R60 IonicContact OE1-NH2 3.27Å; E42-R60 PolarHBondContact OE1-NH2 3.09Å; I56-R60 WeakPolarHBondContact O-CG 3.38Å; I56-R60 PolarHBondContact O-N 3.32Å; A57-R60 PolarHBondContact O-N 3.17Å; Y58-R60 VanDerWaalsContact C-N 3.26Å; Y58-R60 PolarHBondContact O-N 3.21Å; R60-Q62 VanDerWaalsContact C-N 3.34Å; R60-Q62 PolarHBondContact O-N 3.06Å; R60-I63 PolarHBondContact O-N 3.48Å; R60-V64 WeakPolarHBondContact O-CB 3.43Å; R60-V64 WeakPolarHBondContact O-CG2 3.01Å; R60-V64 PolarHBondContact O-N 3.36Å; R60-L103 HydrophobicContact CB-CD1 4.14Å |
| 61 | C | 63.8 | Low | 66.8 | Low | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 178.3 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | A57 Y58 V64 S65 V100 L103 L107 | A57-C61 PolarHBondContact O-N 2.92Å; A57-C61 VanDerWaalsContact O-N 3.14Å; A57-C61 PolarHBondContact O-SG 2.95Å; Y58-C61 WeakPolarHBondContact O-CB 3.3Å; Y58-C61 PolarHBondContact O-N 3.28Å; C61-V64 PolarHBondContact O-N 3.17Å; C61-S65 WeakPolarHBondContact O-CB 3.37Å; C61-S65 PolarHBondContact O-N 2.99Å; C61-V100 HydrophobicContact CB-CG1 4.42Å; C61-L103 WeakPolarHBondContact SG-CB 3.31Å; C61-L107 HydrophobicContact CB-CD1 4.31Å |
| 62 | Q | 66.4 | Low | 66.4 | Low | 4 Ų | 4 | 16.8 Ų | 16.8 | 2% | 0.019 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.3 | -50.8 | 176.4 | -68.1 | -57.9 | -31.4 | 0 | 0 | 111.3 | F8 L12 Y58 C59 R60 V64 S65 C66 C123 | F8-Q62 HydrophobicContact CE1-CB 4.24Å; F8-Q62 HydrophobicContact CE1-CG 4.42Å; F8-Q62 HydrophobicContact CZ-CB 4.14Å; L12-Q62 HydrophobicContact CD1-CB 4.38Å; L12-Q62 HydrophobicContact CD2-CB 4.38Å; L12-Q62 HydrophobicContact CD2-CG 4.14Å; Y58-Q62 HydrophobicContact CD1-CG 4.39Å; Y58-Q62 HydrophobicContact CD2-CG 4.01Å; Y58-Q62 HydrophobicContact CE1-CG 3.92Å; Y58-Q62 HydrophobicContact CE2-CG 3.58Å; Y58-Q62 HydrophobicContact CG-CG 4.46Å; Y58-Q62 PolarHBondContact O-N 3.2Å; C59-Q62 PolarHBondContact O-N 3.36Å; R60-Q62 VanDerWaalsContact C-N 3.34Å; R60-Q62 PolarHBondContact O-N 3.06Å; Q62-V64 VanDerWaalsContact C-N 3.33Å; Q62-V64 PolarHBondContact O-N 2.58Å; Q62-S65 CarbonylContact O-C 3.58Å; Q62-S65 WeakPolarHBondContact O-CA 3.4Å; Q62-S65 WeakPolarHBondContact O-CB 3.45Å; Q62-S65 PolarHBondContact O-N 3.02Å; Q62-S65 VanDerWaalsContact O-N 3.1Å; Q62-C66 PolarHBondContact O-N 3.12Å; Q62-C66 PolarHBondContact O-SG 3.28Å; Q62-C123 PolarHBondContact NE2-SG 2.88Å; Q62-C123 PolarHBondContact OE1-SG 3.27Å |
| 63 | I | 63.2 | Low | 65.8 | Low | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | -179.6 | -75.4 | 169.1 | 0 | 0 | 0 | 111.8 | F8 F31 L34 L35 L38 C59 R60 S65 C66 Y67 | F8-I63 HydrophobicContact CE2-CD1 3.93Å; F8-I63 HydrophobicContact CE2-CG1 4.23Å; F8-I63 HydrophobicContact CZ-CD1 4.34Å; F8-I63 HydrophobicContact CZ-CG1 4.22Å; F31-I63 HydrophobicContact CE2-CG2 4.02Å; F31-I63 WeakPolarHBondContact CE2-O 3.44Å; F31-I63 HydrophobicContact CZ-CG2 4.23Å; L34-I63 HydrophobicContact CB-CD1 4.26Å; L34-I63 HydrophobicContact CB-CG1 4.1Å; L35-I63 HydrophobicContact CD2-CG2 3.6Å; L38-I63 HydrophobicContact CB-CD1 3.52Å; L38-I63 HydrophobicContact CD1-CD1 4.38Å; L38-I63 HydrophobicContact CD2-CD1 3.64Å; L38-I63 HydrophobicContact CG-CD1 4.03Å; C59-I63 WeakPolarHBondContact O-CB 3.28Å; C59-I63 WeakPolarHBondContact O-CG1 3.38Å; C59-I63 PolarHBondContact O-N 3.49Å; R60-I63 PolarHBondContact O-N 3.48Å; I63-S65 VanDerWaalsContact C-N 3.33Å; I63-C66 WeakPolarHBondContact O-CB 3.48Å; I63-C66 PolarHBondContact O-N 3.36Å; I63-Y67 WeakPolarHBondContact O-CB 3.18Å; I63-Y67 PolarHBondContact O-N 3.11Å |
| 64 | V | 61.3 | Low | 65.2 | Low | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.012 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.5 | -38.6 | 177.2 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | R60 C61 Q62 Y67 A68 S96 M99 V100 F164 | R60-V64 WeakPolarHBondContact O-CB 3.43Å; R60-V64 WeakPolarHBondContact O-CG2 3.01Å; R60-V64 PolarHBondContact O-N 3.36Å; C61-V64 PolarHBondContact O-N 3.17Å; Q62-V64 VanDerWaalsContact C-N 3.33Å; Q62-V64 PolarHBondContact O-N 2.58Å; V64-Y67 WeakPolarHBondContact O-CB 3.41Å; V64-Y67 PolarHBondContact O-N 3.28Å; V64-A68 PolarHBondContact O-N 2.58Å; V64-S96 WeakPolarHBondContact CG1-O 2.82Å; V64-M99 HydrophobicContact CG1-CB 4.06Å; V64-M99 HydrophobicContact CG1-CE 4.24Å; V64-M99 HydrophobicContact CG2-CE 3.83Å; V64-V100 HydrophobicContact CB-CG2 3.87Å; V64-V100 HydrophobicContact CG1-CG2 3.62Å; V64-F164 HydrophobicContact CG2-CD1 4.07Å; V64-F164 HydrophobicContact CG2-CE1 3.63Å; V64-F164 HydrophobicContact CG2-CZ 4.04Å |
| 65 | S | 61.4 | Low | 64.8 | Low | 5 Ų | 5 | 21 Ų | 21 | 4% | 0.035 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 172.9 | -165.3 | 0 | 0 | 0 | 0 | 111.4 | C61 Q62 I63 Y67 A68 T69 | C61-S65 WeakPolarHBondContact O-CB 3.37Å; C61-S65 PolarHBondContact O-N 2.99Å; Q62-S65 CarbonylContact O-C 3.58Å; Q62-S65 WeakPolarHBondContact O-CA 3.4Å; Q62-S65 WeakPolarHBondContact O-CB 3.45Å; Q62-S65 PolarHBondContact O-N 3.02Å; Q62-S65 VanDerWaalsContact O-N 3.1Å; I63-S65 VanDerWaalsContact C-N 3.33Å; S65-Y67 VanDerWaalsContact C-N 3.29Å; S65-Y67 PolarHBondContact O-N 3.18Å; S65-A68 WeakPolarHBondContact O-CB 3.31Å; S65-A68 PolarHBondContact O-N 3.19Å; S65-A68 VanDerWaalsContact O-N 3.13Å; S65-T69 PolarHBondContact O-N 3.48Å; S65-T69 PolarHBondContact O-OG1 3.46Å; S65-T69 VanDerWaalsContact O-OG1 3.13Å |
| 66 | C | 63.1 | Low | 64.4 | Low | 6 Ų | 6 | 27.1 Ų | 27.1 | 4% | 0.041 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -55.7 | -43.1 | 174.9 | -65.3 | 0 | 0 | 0 | 0 | 112.1 | L12 F15 F31 Q62 I63 T69 L70 | L12-C66 WeakPolarHBondContact CD1-SG 3.43Å; F15-C66 HydrophobicContact CD1-CB 3.9Å; F15-C66 WeakPolarHBondContact CD1-SG 3.37Å; F15-C66 HydrophobicContact CE1-CB 3.32Å; F15-C66 WeakPolarHBondContact CE1-SG 3.44Å; F15-C66 HydrophobicContact CE2-CB 4.31Å; F15-C66 HydrophobicContact CZ-CB 3.55Å; F15-C66 WeakPolarHBondContact CZ-O 3.34Å; F31-C66 HydrophobicContact CD2-CB 3.87Å; F31-C66 HydrophobicContact CE2-CB 3.84Å; Q62-C66 PolarHBondContact O-N 3.12Å; Q62-C66 PolarHBondContact O-SG 3.28Å; I63-C66 WeakPolarHBondContact O-CB 3.48Å; I63-C66 PolarHBondContact O-N 3.36Å; C66-T69 PolarHBondContact O-N 3.05Å; C66-L70 PolarHBondContact O-N 3.44Å |
| 67 | Y | 62.6 | Low | 63.7 | Low | 45 Ų | 45 | 32.5 Ų | 32.5 | 18% | 0.176 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | 176.6 | -176.3 | -118.7 | 0 | 0 | 0 | 111.7 | F31 I63 V64 S65 T69 L70 L71 S96 F164 | F31-Y67 AromaticContact CE1-CD2 3.78Å; F31-Y67 HydrophobicContact CE1-CD2 3.78Å; F31-Y67 AromaticContact CZ-CD2 3.84Å; F31-Y67 HydrophobicContact CZ-CD2 3.84Å; F31-Y67 HydrophobicContact CZ-CG 4.12Å; I63-Y67 WeakPolarHBondContact O-CB 3.18Å; I63-Y67 PolarHBondContact O-N 3.11Å; V64-Y67 WeakPolarHBondContact O-CB 3.41Å; V64-Y67 PolarHBondContact O-N 3.28Å; S65-Y67 VanDerWaalsContact C-N 3.29Å; S65-Y67 PolarHBondContact O-N 3.18Å; Y67-T69 VanDerWaalsContact C-N 3.32Å; Y67-T69 PolarHBondContact O-N 3.4Å; Y67-L70 PolarHBondContact O-N 3.43Å; Y67-L71 HydrophobicContact CD1-CD1 3.92Å; Y67-L71 HydrophobicContact CE1-CD1 3.43Å; Y67-L71 VanDerWaalsContact CE1-CD1 3.43Å; Y67-L71 HydrophobicContact CE1-CG 4.28Å; Y67-L71 HydrophobicContact CE2-CD1 4.23Å; Y67-L71 HydrophobicContact CE2-CD2 4.37Å; Y67-L71 HydrophobicContact CE2-CG 4.21Å; Y67-L71 HydrophobicContact CG-CD1 4.5Å; Y67-L71 WeakPolarHBondContact O-CG 2.99Å; Y67-L71 PolarHBondContact O-N 2.82Å; Y67-S96 VanDerWaalsContact CD1-OG 3.3Å; Y67-S96 WeakPolarHBondContact CD1-OG 3.26Å; Y67-F164 HydrophobicContact CD1-CE2 4.28Å; Y67-F164 HydrophobicContact CD1-CZ 4.19Å; Y67-F164 HydrophobicContact CE1-CE2 4.47Å; Y67-F164 HydrophobicContact CG-CZ 4.49Å |
| 68 | A | 62.4 | Low | 63.2 | Low | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V64 S65 L71 M72 V93 Y97 | V64-A68 PolarHBondContact O-N 2.58Å; S65-A68 WeakPolarHBondContact O-CB 3.31Å; S65-A68 PolarHBondContact O-N 3.19Å; S65-A68 VanDerWaalsContact O-N 3.13Å; A68-L71 PolarHBondContact O-N 3.46Å; A68-M72 WeakPolarHBondContact O-CB 3.35Å; A68-M72 PolarHBondContact O-N 3.27Å; A68-V93 HydrophobicContact CB-CG1 4.49Å; A68-Y97 HydrophobicContact CB-CD1 3.77Å; A68-Y97 HydrophobicContact CB-CD2 4Å; A68-Y97 HydrophobicContact CB-CE1 3.45Å; A68-Y97 VanDerWaalsContact CB-CE1 3.45Å; A68-Y97 HydrophobicContact CB-CE2 3.68Å; A68-Y97 HydrophobicContact CB-CG 4.03Å |
| 69 | T | 63 | Low | 62.2 | Low | 27 Ų | 27 | 36 Ų | 36 | 17% | 0.166 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 176 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | S65 C66 Y67 L71 M72 Q73 Y97 | S65-T69 PolarHBondContact O-N 3.48Å; S65-T69 PolarHBondContact O-OG1 3.46Å; S65-T69 VanDerWaalsContact O-OG1 3.13Å; C66-T69 PolarHBondContact O-N 3.05Å; Y67-T69 VanDerWaalsContact C-N 3.32Å; Y67-T69 PolarHBondContact O-N 3.4Å; T69-L71 PolarHBondContact O-N 3.09Å; T69-M72 PolarHBondContact O-N 3.35Å; T69-Q73 WeakPolarHBondContact O-CG 3.49Å; T69-Q73 PolarHBondContact O-N 3.45Å; T69-Y97 PolarHBondContact OG1-OH 3.25Å |
| 70 | L | 62 | Low | 61.2 | Low | 16 Ų | 16 | 44.2 Ų | 44.2 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.6 | -46.3 | 174.3 | -84.3 | 172.1 | 0 | 0 | 0 | 112.2 | F15 L23 A27 F31 C66 Y67 M72 Q73 R74 | F15-L70 HydrophobicContact CE2-CD1 3.72Å; F15-L70 HydrophobicContact CE2-CD2 3.95Å; F15-L70 HydrophobicContact CE2-CG 3.63Å; F15-L70 HydrophobicContact CZ-CD1 4.2Å; F15-L70 HydrophobicContact CZ-CD2 4.36Å; F15-L70 HydrophobicContact CZ-CG 3.78Å; L23-L70 HydrophobicContact CD1-CD2 3.61Å; L23-L70 HydrophobicContact CG-CD2 4.13Å; A27-L70 HydrophobicContact CB-CD2 4.41Å; F31-L70 HydrophobicContact CB-CD1 3.69Å; F31-L70 HydrophobicContact CD1-CD1 3.61Å; F31-L70 HydrophobicContact CD2-CD1 4.05Å; F31-L70 HydrophobicContact CE1-CD1 4.29Å; F31-L70 HydrophobicContact CG-CD1 3.48Å; F31-L70 VanDerWaalsContact CG-CD1 3.48Å; C66-L70 PolarHBondContact O-N 3.44Å; Y67-L70 PolarHBondContact O-N 3.43Å; L70-M72 VanDerWaalsContact C-N 3.33Å; L70-Q73 PolarHBondContact O-N 3.28Å; L70-R74 PolarHBondContact O-N 3.43Å |
| 71 | L | 63.1 | Low | 60.1 | Low | 16 Ų | 16 | 51.1 Ų | 51.1 | 8% | 0.084 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 178.9 | -69.9 | 176.2 | 0 | 0 | 0 | 111.2 | Y67 A68 T69 R74 L75 T89 L92 V93 | Y67-L71 HydrophobicContact CD1-CD1 3.92Å; Y67-L71 HydrophobicContact CE1-CD1 3.43Å; Y67-L71 VanDerWaalsContact CE1-CD1 3.43Å; Y67-L71 HydrophobicContact CE1-CG 4.28Å; Y67-L71 HydrophobicContact CE2-CD1 4.23Å; Y67-L71 HydrophobicContact CE2-CD2 4.37Å; Y67-L71 HydrophobicContact CE2-CG 4.21Å; Y67-L71 HydrophobicContact CG-CD1 4.5Å; Y67-L71 WeakPolarHBondContact O-CG 2.99Å; Y67-L71 PolarHBondContact O-N 2.82Å; A68-L71 PolarHBondContact O-N 3.46Å; T69-L71 PolarHBondContact O-N 3.09Å; L71-R74 WeakPolarHBondContact O-CB 3.3Å; L71-R74 PolarHBondContact O-N 3.2Å; L71-L75 PolarHBondContact O-N 3.09Å; L71-T89 HydrophobicContact CB-CG2 4.07Å; L71-T89 HydrophobicContact CD2-CG2 4.26Å; L71-T89 WeakPolarHBondContact O-CG2 3.36Å; L71-L92 HydrophobicContact CD1-CB 3.54Å; L71-V93 HydrophobicContact CB-CG2 3.36Å; L71-V93 HydrophobicContact CD1-CG2 4.27Å; L71-V93 HydrophobicContact CG-CG2 4.5Å |
| 72 | M | 63.2 | Low | 58.9 | Low | 22 Ų | 22 | 54.8 Ų | 54.8 | 11% | 0.108 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 177.3 | -170.9 | 59.5 | -169.7 | 0 | 0 | 111.9 | A68 T69 L70 R74 L75 Q76 V93 M130 L134 | A68-M72 WeakPolarHBondContact O-CB 3.35Å; A68-M72 PolarHBondContact O-N 3.27Å; T69-M72 PolarHBondContact O-N 3.35Å; L70-M72 VanDerWaalsContact C-N 3.33Å; M72-R74 VanDerWaalsContact C-N 3.32Å; M72-R74 PolarHBondContact O-N 3.44Å; M72-L75 HydrophobicContact CE-CD2 4.26Å; M72-L75 WeakPolarHBondContact O-CB 3.2Å; M72-L75 PolarHBondContact O-N 3.01Å; M72-L75 HydrophobicContact SD-CD2 3.87Å; M72-Q76 HydrophobicContact CE-CG 4.35Å; M72-Q76 WeakPolarHBondContact O-CG 3.43Å; M72-Q76 PolarHBondContact O-N 3.29Å; M72-V93 HydrophobicContact CB-CG1 4.41Å; M72-V93 HydrophobicContact CB-CG2 4.33Å; M72-M130 HydrophobicContact CG-CE 4.17Å; M72-L134 HydrophobicContact CE-CD2 3.62Å; M72-L134 HydrophobicContact CE-CG 4.15Å; M72-L134 HydrophobicContact SD-CD1 3.91Å; M72-L134 HydrophobicContact SD-CD2 3.7Å; M72-L134 HydrophobicContact SD-CG 4.12Å |
| 73 | Q | 64.4 | Low | 58 | Low | 38 Ų | 38 | 56.2 Ų | 56.2 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.9 | -38 | 173.9 | -75.7 | -166 | -8 | 0 | 0 | 112.1 | C19 L23 T69 L70 L75 Q76 Q77 | C19-Q73 PolarHBondContact O-NE2 2.95Å; C19-Q73 PolarHBondContact O-OE1 3.37Å; L23-Q73 HydrophobicContact CD1-CB 3.5Å; L23-Q73 HydrophobicContact CD1-CG 4.47Å; T69-Q73 WeakPolarHBondContact O-CG 3.49Å; T69-Q73 PolarHBondContact O-N 3.45Å; L70-Q73 PolarHBondContact O-N 3.28Å; Q73-L75 VanDerWaalsContact C-N 3.35Å; Q73-Q76 PolarHBondContact O-N 3.09Å; Q73-Q77 WeakPolarHBondContact O-CG 3.33Å; Q73-Q77 PolarHBondContact O-N 3Å |
| 74 | R | 62.2 | Low | 57.1 | Low | 150 Ų | 150 | 63.4 Ų | 63.4 | 57% | 0.566 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.7 | -43.2 | 171.9 | -81.9 | -170.2 | 167.7 | -170.8 | -2.2 | 112 | L23 L70 L71 M72 Q76 Q77 A78 | L23-R74 HydrophobicContact CD1-CG 4.32Å; L70-R74 PolarHBondContact O-N 3.43Å; L71-R74 WeakPolarHBondContact O-CB 3.3Å; L71-R74 PolarHBondContact O-N 3.2Å; M72-R74 VanDerWaalsContact C-N 3.32Å; M72-R74 PolarHBondContact O-N 3.44Å; R74-Q76 VanDerWaalsContact C-N 3.31Å; R74-Q76 PolarHBondContact O-N 3.37Å; R74-Q77 PolarHBondContact O-N 3.47Å; R74-A78 WeakPolarHBondContact O-CB 3Å; R74-A78 PolarHBondContact O-N 3.13Å |
| 75 | L | 61.3 | Low | 56.6 | Low | 26 Ų | 26 | 67.5 Ų | 67.5 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 175.2 | -169.1 | 76.1 | 0 | 0 | 0 | 111.1 | L71 M72 Q73 Q77 A78 E86 T89 I90 L134 | L71-L75 PolarHBondContact O-N 3.09Å; M72-L75 HydrophobicContact CE-CD2 4.26Å; M72-L75 WeakPolarHBondContact O-CB 3.2Å; M72-L75 PolarHBondContact O-N 3.01Å; M72-L75 HydrophobicContact SD-CD2 3.87Å; Q73-L75 VanDerWaalsContact C-N 3.35Å; L75-Q77 PolarHBondContact O-N 3.2Å; L75-A78 PolarHBondContact O-N 3.37Å; L75-E86 HydrophobicContact CD1-CB 3.88Å; L75-E86 HydrophobicContact CD1-CG 4.24Å; L75-T89 HydrophobicContact CB-CG2 4.38Å; L75-T89 HydrophobicContact CD1-CG2 4.47Å; L75-I90 HydrophobicContact CD1-CD1 3.93Å; L75-I90 HydrophobicContact CD1-CG1 3.63Å; L75-I90 HydrophobicContact CD2-CD1 4.16Å; L75-I90 HydrophobicContact CD2-CG1 3.51Å; L75-I90 HydrophobicContact CG-CG1 4.22Å; L75-L134 HydrophobicContact CD2-CD2 4.13Å |
| 76 | Q | 63.2 | Low | 56.3 | Low | 131 Ų | 131 | 68.5 Ų | 68.5 | 61% | 0.612 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.2 | -37.6 | 177.1 | -71.5 | 175.3 | -10 | 0 | 0 | 112.9 | M72 Q73 R74 | M72-Q76 HydrophobicContact CE-CG 4.35Å; M72-Q76 WeakPolarHBondContact O-CG 3.43Å; M72-Q76 PolarHBondContact O-N 3.29Å; Q73-Q76 PolarHBondContact O-N 3.09Å; R74-Q76 VanDerWaalsContact C-N 3.31Å; R74-Q76 PolarHBondContact O-N 3.37Å |
| 77 | Q | 64 | Low | 55.7 | Low | 113 Ų | 113 | 68.7 Ų | 68.7 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -72 | -30.7 | 177.4 | -75.8 | -175.2 | -6.4 | 0 | 0 | 113.3 | Q73 R74 L75 G79 | Q73-Q77 WeakPolarHBondContact O-CG 3.33Å; Q73-Q77 PolarHBondContact O-N 3Å; R74-Q77 PolarHBondContact O-N 3.47Å; L75-Q77 PolarHBondContact O-N 3.2Å; Q77-G79 PolarHBondContact O-N 3.49Å |
| 78 | A | 55.4 | Low | 55 | Low | 45 Ų | 45 | 68.7 Ų | 68.7 | 37% | 0.372 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.9 | -26.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R74 L75 E86 | R74-A78 WeakPolarHBondContact O-CB 3Å; R74-A78 PolarHBondContact O-N 3.13Å; L75-A78 PolarHBondContact O-N 3.37Å; A78-E86 HydrophobicContact CB-CG 4.35Å; A78-E86 WeakPolarHBondContact CB-OE1 3.3Å |
| 79 | G | 47.8 | Very low | 54.5 | Low | 38 Ų | 38 | 69.8 Ų | 69.8 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | trans | 73.2 | -163.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q77 R81 | Q77-G79 PolarHBondContact O-N 3.49Å; G79-R81 PolarHBondContact O-N 3.44Å | ||
| 80 | N | 44.5 | Very low | 54.1 | Low | 174 Ų | 174 | 68.8 Ų | 68.8 | 93% | 0.93 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -74.2 | 25.2 | -179.4 | -73.2 | -4.3 | 0 | 0 | 0 | 113.8 | A82 | N80-A82 VanDerWaalsContact C-N 3.32Å; N80-A82 PolarHBondContact O-N 3.39Å; N80-A82 VanDerWaalsContact O-N 3.13Å |
| 81 | R | 43.2 | Very low | 53.5 | Low | 215 Ų | 215 | 68.3 Ų | 68.3 | 81% | 0.811 | 37% | 0.369 | S | S | * | . | trans | -90.4 | 70.9 | -177.1 | -71.9 | -171.5 | 179.3 | -172.6 | 1.3 | 110.6 | G79 G83 E86 | G79-R81 PolarHBondContact O-N 3.44Å; R81-G83 PolarHBondContact O-N 3.1Å; R81-G83 VanDerWaalsContact O-N 3.12Å; R81-E86 VanDerWaalsContact C-OE2 3.26Å; R81-E86 VanDerWaalsContact O-CD 3.24Å; R81-E86 VanDerWaalsContact O-OE1 3.11Å | ||
| 82 | A | 38.7 | Very low | 52.8 | Low | 77 Ų | 77 | 68.6 Ų | 68.6 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | trans | -47.2 | 112.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | N80 E86 | N80-A82 VanDerWaalsContact C-N 3.32Å; N80-A82 PolarHBondContact O-N 3.39Å; N80-A82 VanDerWaalsContact O-N 3.13Å; A82-E86 VanDerWaalsContact CA-OE2 3.26Å; A82-E86 WeakPolarHBondContact CA-OE2 3.42Å; A82-E86 PolarHBondContact N-OE2 2.98Å | ||
| 83 | G | 48.4 | Very low | 52.4 | Low | 34 Ų | 34 | 67.5 Ų | 67.5 | 35% | 0.351 | 37% | 0.366 | S | S | . | . | trans | -149 | 157.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R81 S85 E86 | R81-G83 PolarHBondContact O-N 3.1Å; R81-G83 VanDerWaalsContact O-N 3.12Å; G83-S85 PolarHBondContact O-N 2.71Å; G83-E86 PolarHBondContact N-OE2 2.82Å; G83-E86 WeakPolarHBondContact O-CB 3.25Å; G83-E86 PolarHBondContact O-N 3.49Å | ||
| 84 | L | 43.6 | Very low | 51.7 | Low | 151 Ų | 151 | 65.9 Ų | 65.9 | 79% | 0.791 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -48.1 | -28.5 | -179.4 | -92.8 | 123.4 | 0 | 0 | 0 | 114.6 | E86 N88 | L84-E86 VanDerWaalsContact C-N 3.31Å; L84-E86 PolarHBondContact O-N 3.29Å; L84-N88 PolarHBondContact O-N 2.95Å; L84-N88 PolarHBondContact O-ND2 2.82Å |
| 85 | S | 51.7 | Low | 51 | Low | 88 Ų | 88 | 61.6 Ų | 61.6 | 62% | 0.615 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59 | -38.1 | 174 | 174.6 | 0 | 0 | 0 | 0 | 113.2 | G83 T89 | G83-S85 PolarHBondContact O-N 2.71Å; S85-T89 PolarHBondContact O-N 3.46Å; S85-T89 VanDerWaalsContact O-N 3.08Å; S85-T89 PolarHBondContact O-OG1 3.17Å |
| 86 | E | 54.7 | Low | 50.3 | Low | 26 Ų | 26 | 60.4 Ų | 60.4 | 12% | 0.121 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -78.9 | -43 | -175.6 | -69.2 | 170 | 168.2 | 0 | 0 | 111.4 | L75 A78 R81 A82 G83 L84 N88 T89 I90 | L75-E86 HydrophobicContact CD1-CB 3.88Å; L75-E86 HydrophobicContact CD1-CG 4.24Å; A78-E86 HydrophobicContact CB-CG 4.35Å; A78-E86 WeakPolarHBondContact CB-OE1 3.3Å; R81-E86 VanDerWaalsContact C-OE2 3.26Å; R81-E86 VanDerWaalsContact O-CD 3.24Å; R81-E86 VanDerWaalsContact O-OE1 3.11Å; A82-E86 VanDerWaalsContact CA-OE2 3.26Å; A82-E86 WeakPolarHBondContact CA-OE2 3.42Å; A82-E86 PolarHBondContact N-OE2 2.98Å; G83-E86 PolarHBondContact N-OE2 2.82Å; G83-E86 WeakPolarHBondContact O-CB 3.25Å; G83-E86 PolarHBondContact O-N 3.49Å; L84-E86 VanDerWaalsContact C-N 3.31Å; L84-E86 PolarHBondContact O-N 3.29Å; E86-N88 VanDerWaalsContact C-N 3.28Å; E86-N88 PolarHBondContact O-N 3.33Å; E86-T89 CarbonylContact O-C 3.43Å; E86-T89 WeakPolarHBondContact O-CA 3.3Å; E86-T89 WeakPolarHBondContact O-CB 3.47Å; E86-T89 PolarHBondContact O-N 3.21Å; E86-I90 WeakPolarHBondContact O-CG1 3.45Å; E86-I90 PolarHBondContact O-N 3.17Å |
| 87 | A | 49.8 | Very low | 50 | Low | 10 Ų | 10 | 54.1 Ų | 54.1 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.2 | -44 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T89 I90 I91 E143 | A87-T89 VanDerWaalsContact C-N 3.33Å; A87-T89 PolarHBondContact O-N 3.46Å; A87-I90 WeakPolarHBondContact O-CB 3.33Å; A87-I90 PolarHBondContact O-N 3.49Å; A87-I91 VanDerWaalsContact O-CG1 3.3Å; A87-I91 WeakPolarHBondContact O-CG1 3.04Å; A87-I91 PolarHBondContact O-N 3.38Å; A87-E143 HydrophobicContact CB-CB 4.18Å |
| 88 | N | 47.9 | Very low | 49.2 | Very low | 45 Ų | 45 | 50.1 Ų | 50.1 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 173.6 | -73 | -23.5 | 0 | 0 | 0 | 111.9 | L84 E86 I91 L92 L156 | L84-N88 PolarHBondContact O-N 2.95Å; L84-N88 PolarHBondContact O-ND2 2.82Å; E86-N88 VanDerWaalsContact C-N 3.28Å; E86-N88 PolarHBondContact O-N 3.33Å; N88-I91 PolarHBondContact O-N 2.87Å; N88-L92 WeakPolarHBondContact O-CB 3.4Å; N88-L92 WeakPolarHBondContact O-CG 3.45Å; N88-L92 PolarHBondContact O-N 3.48Å; N88-L156 HydrophobicContact CB-CD2 3.99Å |
| 89 | T | 53.2 | Low | 48.9 | Very low | 23 Ų | 23 | 49 Ų | 49 | 14% | 0.141 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 176.3 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | L71 L75 S85 E86 A87 L92 V93 | L71-T89 HydrophobicContact CB-CG2 4.07Å; L71-T89 HydrophobicContact CD2-CG2 4.26Å; L71-T89 WeakPolarHBondContact O-CG2 3.36Å; L75-T89 HydrophobicContact CB-CG2 4.38Å; L75-T89 HydrophobicContact CD1-CG2 4.47Å; S85-T89 PolarHBondContact O-N 3.46Å; S85-T89 VanDerWaalsContact O-N 3.08Å; S85-T89 PolarHBondContact O-OG1 3.17Å; E86-T89 CarbonylContact O-C 3.43Å; E86-T89 WeakPolarHBondContact O-CA 3.3Å; E86-T89 WeakPolarHBondContact O-CB 3.47Å; E86-T89 PolarHBondContact O-N 3.21Å; A87-T89 VanDerWaalsContact C-N 3.33Å; A87-T89 PolarHBondContact O-N 3.46Å; T89-L92 WeakPolarHBondContact O-CB 3.49Å; T89-L92 PolarHBondContact O-N 2.71Å; T89-V93 VanDerWaalsContact O-CG2 3.27Å; T89-V93 WeakPolarHBondContact O-CG2 3.44Å; T89-V93 PolarHBondContact O-N 2.86Å |
| 90 | I | 54.5 | Low | 49 | Very low | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.8 | -50.2 | 174.8 | -73.8 | 157.4 | 0 | 0 | 0 | 110.3 | L75 E86 A87 L92 V93 C94 V140 F144 | L75-I90 HydrophobicContact CD1-CD1 3.93Å; L75-I90 HydrophobicContact CD1-CG1 3.63Å; L75-I90 HydrophobicContact CD2-CD1 4.16Å; L75-I90 HydrophobicContact CD2-CG1 3.51Å; L75-I90 HydrophobicContact CG-CG1 4.22Å; E86-I90 WeakPolarHBondContact O-CG1 3.45Å; E86-I90 PolarHBondContact O-N 3.17Å; A87-I90 WeakPolarHBondContact O-CB 3.33Å; A87-I90 PolarHBondContact O-N 3.49Å; I90-L92 VanDerWaalsContact C-N 3.28Å; I90-L92 PolarHBondContact O-N 2.7Å; I90-V93 WeakPolarHBondContact O-CB 3.45Å; I90-V93 PolarHBondContact O-N 3.27Å; I90-V93 VanDerWaalsContact O-N 3.14Å; I90-C94 WeakPolarHBondContact O-CB 3.47Å; I90-C94 PolarHBondContact O-N 2.76Å; I90-C94 PolarHBondContact O-SG 3.39Å; I90-V140 HydrophobicContact CD1-CB 4.49Å; I90-V140 HydrophobicContact CD1-CG1 4Å; I90-V140 HydrophobicContact CD1-CG2 4.18Å; I90-V140 HydrophobicContact CG1-CG1 4.26Å; I90-V140 HydrophobicContact CG2-CG1 3.52Å; I90-F144 HydrophobicContact CG2-CB 4.48Å; I90-F144 HydrophobicContact CG2-CD2 4.34Å |
| 91 | I | 48.3 | Very low | 49.2 | Very low | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.1 | -46 | 177.9 | -71.9 | 163.2 | 0 | 0 | 0 | 110.5 | A87 N88 V93 C94 Y95 F144 A147 L153 L156 | A87-I91 VanDerWaalsContact O-CG1 3.3Å; A87-I91 WeakPolarHBondContact O-CG1 3.04Å; A87-I91 PolarHBondContact O-N 3.38Å; N88-I91 PolarHBondContact O-N 2.87Å; I91-V93 VanDerWaalsContact C-N 3.33Å; I91-V93 PolarHBondContact O-N 3.43Å; I91-C94 PolarHBondContact O-N 3.33Å; I91-Y95 VanDerWaalsContact O-CB 3.23Å; I91-Y95 WeakPolarHBondContact O-CB 3.24Å; I91-Y95 PolarHBondContact O-N 2.9Å; I91-F144 HydrophobicContact CB-CD2 4.44Å; I91-F144 HydrophobicContact CG1-CD2 3.68Å; I91-F144 HydrophobicContact CG1-CE2 4.08Å; I91-A147 HydrophobicContact CD1-CB 3.15Å; I91-A147 HydrophobicContact CG1-CB 4.29Å; I91-L153 HydrophobicContact CD1-CD1 4.01Å; I91-L153 HydrophobicContact CG1-CD1 4.47Å; I91-L153 HydrophobicContact CG2-CD1 3.48Å; I91-L153 VanDerWaalsContact CG2-CD1 3.48Å; I91-L156 HydrophobicContact CB-CD2 4.41Å; I91-L156 HydrophobicContact CG2-CD2 4.15Å |
| 92 | L | 48.5 | Very low | 49.3 | Very low | 22 Ų | 22 | 36.2 Ų | 36.2 | 12% | 0.115 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 178.7 | -72.8 | 172.4 | 0 | 0 | 0 | 111.7 | L71 N88 T89 I90 S96 L156 T160 | L71-L92 HydrophobicContact CD1-CB 3.54Å; N88-L92 WeakPolarHBondContact O-CB 3.4Å; N88-L92 WeakPolarHBondContact O-CG 3.45Å; N88-L92 PolarHBondContact O-N 3.48Å; T89-L92 WeakPolarHBondContact O-CB 3.49Å; T89-L92 PolarHBondContact O-N 2.71Å; I90-L92 VanDerWaalsContact C-N 3.28Å; I90-L92 PolarHBondContact O-N 2.7Å; L92-S96 WeakPolarHBondContact O-CB 3.43Å; L92-S96 PolarHBondContact O-N 3.06Å; L92-S96 PolarHBondContact O-OG 3.39Å; L92-L156 HydrophobicContact CD1-CD1 4.11Å; L92-L156 HydrophobicContact CD1-CD2 4.49Å; L92-L156 HydrophobicContact CD1-CG 4.46Å; L92-L156 HydrophobicContact CD2-CD1 4.16Å; L92-L156 HydrophobicContact CD2-CD2 4.11Å; L92-L156 HydrophobicContact CD2-CG 3.78Å; L92-L156 HydrophobicContact CG-CD1 4.26Å; L92-L156 HydrophobicContact CG-CD2 3.92Å; L92-L156 HydrophobicContact CG-CG 4.06Å; L92-T160 HydrophobicContact CD2-CG2 4.1Å; L92-T160 WeakPolarHBondContact CD2-OG1 3.41Å |
| 93 | V | 54.3 | Low | 49.9 | Very low | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.3 | -50.5 | 174 | 176.4 | 0 | 0 | 0 | 0 | 110.1 | A68 L71 M72 T89 I90 I91 Y95 S96 Y97 L134 | A68-V93 HydrophobicContact CB-CG1 4.49Å; L71-V93 HydrophobicContact CB-CG2 3.36Å; L71-V93 HydrophobicContact CD1-CG2 4.27Å; L71-V93 HydrophobicContact CG-CG2 4.5Å; M72-V93 HydrophobicContact CB-CG1 4.41Å; M72-V93 HydrophobicContact CB-CG2 4.33Å; T89-V93 VanDerWaalsContact O-CG2 3.27Å; T89-V93 WeakPolarHBondContact O-CG2 3.44Å; T89-V93 PolarHBondContact O-N 2.86Å; I90-V93 WeakPolarHBondContact O-CB 3.45Å; I90-V93 PolarHBondContact O-N 3.27Å; I90-V93 VanDerWaalsContact O-N 3.14Å; I91-V93 VanDerWaalsContact C-N 3.33Å; I91-V93 PolarHBondContact O-N 3.43Å; V93-Y95 VanDerWaalsContact C-N 3.35Å; V93-Y95 PolarHBondContact O-N 2.7Å; V93-S96 PolarHBondContact O-N 2.99Å; V93-Y97 HydrophobicContact CG1-CD2 3.61Å; V93-Y97 HydrophobicContact CG1-CE2 3.38Å; V93-Y97 WeakPolarHBondContact O-CD2 3.02Å; V93-Y97 PolarHBondContact O-N 3.13Å; V93-L134 HydrophobicContact CB-CD1 4.22Å; V93-L134 HydrophobicContact CG1-CD1 3.43Å; V93-L134 VanDerWaalsContact CG1-CD1 3.43Å |
| 94 | C | 49.7 | Very low | 49.9 | Very low | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.027 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | -180 | -69 | 0 | 0 | 0 | 0 | 112 | I90 I91 S98 L131 F144 | I90-C94 WeakPolarHBondContact O-CB 3.47Å; I90-C94 PolarHBondContact O-N 2.76Å; I90-C94 PolarHBondContact O-SG 3.39Å; I91-C94 PolarHBondContact O-N 3.33Å; C94-S98 WeakPolarHBondContact O-CB 3Å; C94-S98 PolarHBondContact O-N 2.9Å; C94-L131 HydrophobicContact CB-CD1 3.61Å; C94-F144 HydrophobicContact CB-CD2 4.39Å; C94-F144 HydrophobicContact CB-CE2 3.68Å; C94-F144 HydrophobicContact CB-CZ 4.25Å |
| 95 | Y | 48.5 | Very low | 50.2 | Low | 60 Ų | 60 | 29.4 Ų | 29.4 | 24% | 0.235 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.8 | -45.6 | 177.4 | -178 | -99.6 | 0 | 0 | 0 | 111.3 | I91 V93 Y97 S98 M99 V157 T160 | I91-Y95 VanDerWaalsContact O-CB 3.23Å; I91-Y95 WeakPolarHBondContact O-CB 3.24Å; I91-Y95 PolarHBondContact O-N 2.9Å; V93-Y95 VanDerWaalsContact C-N 3.35Å; V93-Y95 PolarHBondContact O-N 2.7Å; Y95-Y97 PolarHBondContact O-N 3.2Å; Y95-S98 WeakPolarHBondContact O-CB 3.47Å; Y95-S98 PolarHBondContact O-N 3.43Å; Y95-S98 VanDerWaalsContact O-N 3.11Å; Y95-S98 PolarHBondContact O-OG 2.96Å; Y95-M99 HydrophobicContact CD1-CG 4.41Å; Y95-M99 HydrophobicContact CD1-SD 3.93Å; Y95-M99 HydrophobicContact CE1-CG 4Å; Y95-M99 HydrophobicContact CE1-SD 3.32Å; Y95-M99 WeakPolarHBondContact CE1-SD 3.5Å; Y95-M99 PolarHBondContact O-N 3.07Å; Y95-V157 HydrophobicContact CD2-CG2 4.37Å; Y95-V157 HydrophobicContact CE2-CG1 3.91Å; Y95-V157 HydrophobicContact CE2-CG2 4.41Å; Y95-T160 HydrophobicContact CD1-CG2 3.7Å; Y95-T160 HydrophobicContact CE1-CG2 3.76Å |
| 96 | S | 47.1 | Very low | 50 | Low | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.4 | -47.4 | 178.3 | -58 | 0 | 0 | 0 | 0 | 111.1 | V64 Y67 L92 V93 S98 M99 V100 | V64-S96 WeakPolarHBondContact CG1-O 2.82Å; Y67-S96 VanDerWaalsContact CD1-OG 3.3Å; Y67-S96 WeakPolarHBondContact CD1-OG 3.26Å; L92-S96 WeakPolarHBondContact O-CB 3.43Å; L92-S96 PolarHBondContact O-N 3.06Å; L92-S96 PolarHBondContact O-OG 3.39Å; V93-S96 PolarHBondContact O-N 2.99Å; S96-S98 VanDerWaalsContact C-N 3.3Å; S96-S98 PolarHBondContact O-N 3.48Å; S96-M99 WeakPolarHBondContact O-CB 3.44Å; S96-M99 PolarHBondContact O-N 2.84Å; S96-M99 VanDerWaalsContact O-N 3.13Å; S96-V100 PolarHBondContact O-N 2.87Å; S96-V100 VanDerWaalsContact O-N 3.15Å |
| 97 | Y | 55.3 | Low | 49.7 | Very low | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.2 | -38.8 | 173.6 | -74.4 | -49.1 | 0 | 0 | 0 | 112.1 | A68 T69 V93 Y95 M99 V100 L101 A127 M130 | A68-Y97 HydrophobicContact CB-CD1 3.77Å; A68-Y97 HydrophobicContact CB-CD2 4Å; A68-Y97 HydrophobicContact CB-CE1 3.45Å; A68-Y97 VanDerWaalsContact CB-CE1 3.45Å; A68-Y97 HydrophobicContact CB-CE2 3.68Å; A68-Y97 HydrophobicContact CB-CG 4.03Å; T69-Y97 PolarHBondContact OG1-OH 3.25Å; V93-Y97 HydrophobicContact CG1-CD2 3.61Å; V93-Y97 HydrophobicContact CG1-CE2 3.38Å; V93-Y97 WeakPolarHBondContact O-CD2 3.02Å; V93-Y97 PolarHBondContact O-N 3.13Å; Y95-Y97 PolarHBondContact O-N 3.2Å; Y97-M99 VanDerWaalsContact C-N 3.25Å; Y97-M99 PolarHBondContact O-N 3.38Å; Y97-V100 WeakPolarHBondContact O-CB 3.48Å; Y97-V100 PolarHBondContact O-N 3.4Å; Y97-V100 VanDerWaalsContact O-N 3.16Å; Y97-L101 WeakPolarHBondContact O-CG 3.4Å; Y97-L101 PolarHBondContact O-N 2.87Å; Y97-A127 VanDerWaalsContact CD1-CA 3.42Å; Y97-A127 HydrophobicContact CD1-CB 3.37Å; Y97-A127 HydrophobicContact CE1-CB 4.13Å; Y97-A127 HydrophobicContact CG-CB 4.02Å; Y97-M130 HydrophobicContact CD2-CB 4.2Å; Y97-M130 HydrophobicContact CE1-SD 4.31Å; Y97-M130 HydrophobicContact CE2-CB 3.62Å; Y97-M130 HydrophobicContact CE2-SD 4.23Å; Y97-M130 WeakPolarHBondContact OH-CE 3.18Å; Y97-M130 PolarHBondContact OH-SD 3.48Å |
| 98 | S | 48.3 | Very low | 49.7 | Very low | 28 Ų | 28 | 33.2 Ų | 33.2 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.7 | -36.7 | 175.4 | 84.6 | 0 | 0 | 0 | 0 | 112.6 | C94 Y95 S96 L101 Q102 | C94-S98 WeakPolarHBondContact O-CB 3Å; C94-S98 PolarHBondContact O-N 2.9Å; Y95-S98 WeakPolarHBondContact O-CB 3.47Å; Y95-S98 PolarHBondContact O-N 3.43Å; Y95-S98 VanDerWaalsContact O-N 3.11Å; Y95-S98 PolarHBondContact O-OG 2.96Å; S96-S98 VanDerWaalsContact C-N 3.3Å; S96-S98 PolarHBondContact O-N 3.48Å; S98-L101 WeakPolarHBondContact O-CB 3.27Å; S98-L101 PolarHBondContact O-N 3.44Å; S98-Q102 WeakPolarHBondContact O-CG 3.5Å; S98-Q102 PolarHBondContact O-N 3.48Å |
| 99 | M | 49.8 | Very low | 49.9 | Very low | 23 Ų | 23 | 34 Ų | 34 | 11% | 0.113 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.1 | -41.6 | 175.1 | -77.2 | 179.6 | 39.3 | 0 | 0 | 112.3 | V64 Y95 S96 Y97 L101 Q102 L103 F164 | V64-M99 HydrophobicContact CG1-CB 4.06Å; V64-M99 HydrophobicContact CG1-CE 4.24Å; V64-M99 HydrophobicContact CG2-CE 3.83Å; Y95-M99 HydrophobicContact CD1-CG 4.41Å; Y95-M99 HydrophobicContact CD1-SD 3.93Å; Y95-M99 HydrophobicContact CE1-CG 4Å; Y95-M99 HydrophobicContact CE1-SD 3.32Å; Y95-M99 WeakPolarHBondContact CE1-SD 3.5Å; Y95-M99 PolarHBondContact O-N 3.07Å; S96-M99 WeakPolarHBondContact O-CB 3.44Å; S96-M99 PolarHBondContact O-N 2.84Å; S96-M99 VanDerWaalsContact O-N 3.13Å; Y97-M99 VanDerWaalsContact C-N 3.25Å; Y97-M99 PolarHBondContact O-N 3.38Å; M99-L101 PolarHBondContact O-N 3.47Å; M99-Q102 PolarHBondContact O-N 3.31Å; M99-Q102 VanDerWaalsContact O-N 3.1Å; M99-L103 WeakPolarHBondContact O-CG 3.38Å; M99-L103 PolarHBondContact O-N 2.89Å; M99-F164 HydrophobicContact CE-CB 3.77Å; M99-F164 HydrophobicContact CE-CD1 4.08Å; M99-F164 HydrophobicContact CE-CD2 3.69Å; M99-F164 HydrophobicContact CE-CE2 4.3Å; M99-F164 HydrophobicContact CE-CG 3.59Å; M99-F164 HydrophobicContact SD-CD2 4.09Å; M99-F164 HydrophobicContact SD-CG 4.5Å |
| 100 | V | 48 | Very low | 49.7 | Very low | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54 | -42.1 | 173.2 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | C61 V64 S96 Y97 L103 A104 A127 | C61-V100 HydrophobicContact CB-CG1 4.42Å; V64-V100 HydrophobicContact CB-CG2 3.87Å; V64-V100 HydrophobicContact CG1-CG2 3.62Å; S96-V100 PolarHBondContact O-N 2.87Å; S96-V100 VanDerWaalsContact O-N 3.15Å; Y97-V100 WeakPolarHBondContact O-CB 3.48Å; Y97-V100 PolarHBondContact O-N 3.4Å; Y97-V100 VanDerWaalsContact O-N 3.16Å; V100-L103 PolarHBondContact O-N 3.41Å; V100-A104 PolarHBondContact O-N 2.97Å; V100-A127 HydrophobicContact CB-CB 4.23Å; V100-A127 HydrophobicContact CG1-CB 4.15Å |
| 101 | L | 48.8 | Very low | 49.7 | Very low | 18 Ų | 18 | 35.8 Ų | 35.8 | 9% | 0.094 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.3 | -32.3 | -179.9 | -56 | -178.3 | 0 | 0 | 0 | 113.2 | Y97 S98 M99 L103 A104 I124 A127 H128 L131 | Y97-L101 WeakPolarHBondContact O-CG 3.4Å; Y97-L101 PolarHBondContact O-N 2.87Å; S98-L101 WeakPolarHBondContact O-CB 3.27Å; S98-L101 PolarHBondContact O-N 3.44Å; M99-L101 PolarHBondContact O-N 3.47Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-A104 VanDerWaalsContact O-CB 3.22Å; L101-A104 WeakPolarHBondContact O-CB 3.37Å; L101-A104 PolarHBondContact O-N 3.44Å; L101-I124 HydrophobicContact CD2-CB 4.38Å; L101-I124 HydrophobicContact CD2-CG2 3.83Å; L101-I124 WeakPolarHBondContact CD2-O 3.35Å; L101-A127 HydrophobicContact CD2-CB 4.03Å; L101-A127 HydrophobicContact CG-CB 4.47Å; L101-H128 WeakPolarHBondContact CD1-CE1 3.48Å; L101-H128 WeakPolarHBondContact CD1-ND1 3.46Å; L101-H128 WeakPolarHBondContact CD2-CE1 3.03Å; L101-H128 WeakPolarHBondContact CD2-ND1 3.41Å; L101-L131 HydrophobicContact CD1-CD2 4.49Å |
| 102 | Q | 47.2 | Very low | 49.7 | Very low | 139 Ų | 139 | 44.9 Ų | 44.9 | 65% | 0.65 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -71.2 | -28.8 | 173.7 | -73.5 | 177.4 | -2.4 | 0 | 0 | 112.6 | S98 M99 A104 P105 | S98-Q102 WeakPolarHBondContact O-CG 3.5Å; S98-Q102 PolarHBondContact O-N 3.48Å; M99-Q102 PolarHBondContact O-N 3.31Å; M99-Q102 VanDerWaalsContact O-N 3.1Å; Q102-A104 VanDerWaalsContact C-N 3.32Å; Q102-P105 WeakPolarHBondContact O-CD 3.39Å |
| 103 | L | 50.1 | Low | 49.9 | Very low | 42 Ų | 42 | 50.8 Ų | 50.8 | 22% | 0.22 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -79.3 | -15.8 | 175.4 | -67.3 | 171.2 | 0 | 0 | 0 | 113 | R60 C61 M99 V100 L101 S106 | R60-L103 HydrophobicContact CB-CD1 4.14Å; C61-L103 WeakPolarHBondContact SG-CB 3.31Å; M99-L103 WeakPolarHBondContact O-CG 3.38Å; M99-L103 PolarHBondContact O-N 2.89Å; V100-L103 PolarHBondContact O-N 3.41Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L103-S106 WeakPolarHBondContact O-CB 3.16Å; L103-S106 PolarHBondContact O-N 3.11Å; L103-S106 VanDerWaalsContact O-N 3.08Å |
| 104 | A | 49.3 | Very low | 49.9 | Very low | 19 Ų | 19 | 52.6 Ų | 52.6 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -52.4 | -37.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | V100 L101 Q102 S106 L107 I124 | V100-A104 PolarHBondContact O-N 2.97Å; L101-A104 VanDerWaalsContact O-CB 3.22Å; L101-A104 WeakPolarHBondContact O-CB 3.37Å; L101-A104 PolarHBondContact O-N 3.44Å; Q102-A104 VanDerWaalsContact C-N 3.32Å; A104-S106 VanDerWaalsContact C-N 3.3Å; A104-S106 PolarHBondContact O-N 3.26Å; A104-L107 WeakPolarHBondContact O-CB 3.38Å; A104-L107 PolarHBondContact O-N 3.02Å; A104-L107 VanDerWaalsContact O-N 3.09Å; A104-I124 HydrophobicContact CB-CD1 3.53Å; A104-I124 HydrophobicContact CB-CG1 4.05Å |
| 105 | P | 48.5 | Very low | 49.9 | Very low | 59 Ų | 59 | 57.6 Ų | 57.6 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.6 | -39 | 176.8 | -23.2 | 35.4 | 0 | 0 | 0 | 112.7 | Q102 L107 K108 | Q102-P105 WeakPolarHBondContact O-CD 3.39Å; P105-L107 PolarHBondContact O-N 3.22Å; P105-K108 WeakPolarHBondContact O-CB 3.42Å; P105-K108 PolarHBondContact O-N 3.31Å; P105-K108 VanDerWaalsContact O-N 3.09Å |
| 106 | S | 48.5 | Very low | 50.1 | Low | 43 Ų | 43 | 55.4 Ų | 55.4 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66 | -15.8 | 177.2 | -48.7 | 0 | 0 | 0 | 0 | 113.1 | L103 A104 S109 | L103-S106 WeakPolarHBondContact O-CB 3.16Å; L103-S106 PolarHBondContact O-N 3.11Å; L103-S106 VanDerWaalsContact O-N 3.08Å; A104-S106 VanDerWaalsContact C-N 3.3Å; A104-S106 PolarHBondContact O-N 3.26Å; S106-S109 PolarHBondContact O-OG 3.03Å |
| 107 | L | 48.7 | Very low | 50.2 | Low | 13 Ų | 13 | 56.7 Ų | 56.7 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -89.4 | -14.9 | 176.5 | -53.3 | 179 | 0 | 0 | 0 | 112.7 | A57 C61 A104 P105 S109 I110 C120 I124 | A57-L107 HydrophobicContact CB-CD2 4.27Å; C61-L107 HydrophobicContact CB-CD1 4.31Å; A104-L107 WeakPolarHBondContact O-CB 3.38Å; A104-L107 PolarHBondContact O-N 3.02Å; A104-L107 VanDerWaalsContact O-N 3.09Å; P105-L107 PolarHBondContact O-N 3.22Å; L107-S109 PolarHBondContact O-N 3.08Å; L107-I110 HydrophobicContact CB-CD1 3.79Å; L107-I110 HydrophobicContact CD2-CD1 3.66Å; L107-I110 HydrophobicContact CG-CD1 4.3Å; L107-I110 VanDerWaalsContact O-CB 3.31Å; L107-I110 WeakPolarHBondContact O-CB 3.41Å; L107-I110 VanDerWaalsContact O-CG1 3.23Å; L107-I110 WeakPolarHBondContact O-CG1 3.4Å; L107-I110 PolarHBondContact O-N 3.42Å; L107-I110 VanDerWaalsContact O-N 3.08Å; L107-C120 HydrophobicContact CD1-CB 3.92Å; L107-I124 HydrophobicContact CD1-CD1 4Å |
| 108 | K | 49.3 | Very low | 49.7 | Very low | 147 Ų | 147 | 59 Ų | 59 | 64% | 0.639 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.6 | -178.7 | -70.2 | -175.6 | 178.7 | 179.1 | 0 | 113.4 | P105 I110 | P105-K108 WeakPolarHBondContact O-CB 3.42Å; P105-K108 PolarHBondContact O-N 3.31Å; P105-K108 VanDerWaalsContact O-N 3.09Å; K108-I110 VanDerWaalsContact C-N 3.3Å |
| 109 | S | 51.2 | Low | 49.7 | Very low | 62 Ų | 62 | 60.2 Ų | 60.2 | 43% | 0.434 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 6.1 | 177.2 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | H54 S106 L107 | H54-S109 PolarHBondContact CE1-OG 3.06Å; H54-S109 PolarHBondContact ND1-OG 2.92Å; H54-S109 VanDerWaalsContact ND1-OG 3.1Å; H54-S109 PolarHBondContact NE2-OG 3.32Å; S106-S109 PolarHBondContact O-OG 3.03Å; L107-S109 PolarHBondContact O-N 3.08Å |
| 110 | I | 50.2 | Low | 49.6 | Very low | 17 Ų | 17 | 59.4 Ų | 59.4 | 9% | 0.087 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -73.3 | 129.6 | 177.5 | -65.8 | 173.1 | 0 | 0 | 0 | 109.7 | H54 L107 K108 K112 T114 C120 | H54-I110 HydrophobicContact CB-CG1 4.21Å; L107-I110 HydrophobicContact CB-CD1 3.79Å; L107-I110 HydrophobicContact CD2-CD1 3.66Å; L107-I110 HydrophobicContact CG-CD1 4.3Å; L107-I110 VanDerWaalsContact O-CB 3.31Å; L107-I110 WeakPolarHBondContact O-CB 3.41Å; L107-I110 VanDerWaalsContact O-CG1 3.23Å; L107-I110 WeakPolarHBondContact O-CG1 3.4Å; L107-I110 PolarHBondContact O-N 3.42Å; L107-I110 VanDerWaalsContact O-N 3.08Å; K108-I110 VanDerWaalsContact C-N 3.3Å; I110-K112 PolarHBondContact O-N 3.47Å; I110-T114 WeakPolarHBondContact CG2-OG1 3.49Å; I110-C120 WeakPolarHBondContact CD1-SG 3.33Å |
| 111 | P | 53.3 | Low | 49.6 | Very low | 51 Ų | 51 | 63.3 Ų | 63.3 | 33% | 0.331 | 34% | 0.338 | S | S | . | . | trans | -58.6 | 130.5 | 175.9 | -21.7 | 32.2 | 0 | 0 | 0 | 111.8 | D113 T114 | P111-D113 WeakPolarHBondContact CB-OD1 3.41Å; P111-D113 PolarHBondContact O-N 3.15Å; P111-D113 VanDerWaalsContact O-N 3.16Å; P111-T114 HydrophobicContact CB-CG2 4.14Å; P111-T114 HydrophobicContact CG-CG2 4.48Å; P111-T114 PolarHBondContact O-N 3.08Å; P111-T114 VanDerWaalsContact O-N 3.15Å; P111-T114 PolarHBondContact O-OG1 3.15Å | ||
| 112 | K | 50 | Low | 49.4 | Very low | 196 Ų | 196 | 68.8 Ų | 68.8 | 85% | 0.852 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.8 | -171.8 | -66.3 | -176.7 | 179.3 | -179.3 | 0 | 114.3 | I110 S117 | I110-K112 PolarHBondContact O-N 3.47Å; K112-S117 PolarHBondContact O-OG 3.08Å |
| 113 | D | 51 | Low | 49.4 | Very low | 146 Ų | 146 | 62.7 Ų | 62.7 | 78% | 0.781 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -5.6 | -179 | 54 | -33.7 | 0 | 0 | 0 | 113.3 | P111 | P111-D113 WeakPolarHBondContact CB-OD1 3.41Å; P111-D113 PolarHBondContact O-N 3.15Å; P111-D113 VanDerWaalsContact O-N 3.16Å |
| 114 | T | 54.5 | Low | 49.1 | Very low | 37 Ų | 37 | 62.4 Ų | 62.4 | 23% | 0.227 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -84.3 | 134.5 | 175.5 | 58.7 | 0 | 0 | 0 | 0 | 111.2 | I110 P111 W116 S117 | I110-T114 WeakPolarHBondContact CG2-OG1 3.49Å; P111-T114 HydrophobicContact CB-CG2 4.14Å; P111-T114 HydrophobicContact CG-CG2 4.48Å; P111-T114 PolarHBondContact O-N 3.08Å; P111-T114 VanDerWaalsContact O-N 3.15Å; P111-T114 PolarHBondContact O-OG1 3.15Å; T114-W116 VanDerWaalsContact CB-CD1 3.45Å; T114-W116 PolarHBondContact O-N 3.47Å; T114-W116 VanDerWaalsContact O-N 3.12Å; T114-W116 PolarHBondContact OG1-NE1 3.45Å; T114-S117 WeakPolarHBondContact O-CB 3.4Å; T114-S117 PolarHBondContact O-N 3.44Å; T114-S117 PolarHBondContact O-OG 2.91Å |
| 115 | W | 51.5 | Low | 48.9 | Very low | 109 Ų | 109 | 66.2 Ų | 66.2 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.6 | -33.5 | -177.1 | 68.2 | -93 | 0 | 0 | 0 | 113 | T5 H9 S117 N119 | T5-W115 HydrophobicContact CG2-CZ2 3.9Å; H9-W115 HydrophobicContact CB-CH2 3.81Å; H9-W115 HydrophobicContact CB-CZ2 3.97Å; H9-W115 AromaticContact CE1-CH2 3.74Å; H9-W115 AromaticContact CE1-CZ3 3.52Å; H9-W115 AromaticContact CG-CH2 3.49Å; H9-W115 VanDerWaalsContact CG-CH2 3.49Å; H9-W115 AromaticContact CG-CZ2 3.96Å; H9-W115 AromaticContact ND1-CH2 3.15Å; H9-W115 WeakPolarHBondContact ND1-CH2 3.25Å; H9-W115 AromaticContact ND1-CZ3 3.42Å; H9-W115 WeakPolarHBondContact ND1-CZ3 3.39Å; W115-S117 VanDerWaalsContact C-N 3.28Å; W115-S117 PolarHBondContact O-N 3.35Å; W115-N119 VanDerWaalsContact CZ3-ND2 3.3Å; W115-N119 WeakPolarHBondContact CZ3-ND2 3.41Å |
| 116 | W | 52.3 | Low | 48.8 | Very low | 15 Ų | 15 | 67.4 Ų | 67.4 | 6% | 0.057 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.5 | -10.7 | 179.8 | 52.8 | 33.5 | 0 | 0 | 0 | 114.6 | M1 T5 F55 Y58 T114 A118 N119 C120 | M1-W116 HydrophobicContact CE-CH2 3.54Å; M1-W116 HydrophobicContact CE-CZ2 3.73Å; T5-W116 HydrophobicContact CG2-CE3 3.92Å; T5-W116 HydrophobicContact CG2-CH2 4.08Å; T5-W116 HydrophobicContact CG2-CZ3 3.28Å; T5-W116 WeakPolarHBondContact OG1-CZ3 3.45Å; F55-W116 HydrophobicContact CB-CH2 3.51Å; F55-W116 HydrophobicContact CB-CZ2 3.81Å; F55-W116 HydrophobicContact CB-CZ3 4.2Å; F55-W116 AromaticContact CD1-CH2 3.98Å; F55-W116 HydrophobicContact CD1-CH2 3.98Å; F55-W116 HydrophobicContact CD1-CZ3 4.17Å; F55-W116 HydrophobicContact CD2-CD2 4.13Å; F55-W116 AromaticContact CD2-CE3 3.36Å; F55-W116 HydrophobicContact CD2-CE3 3.36Å; F55-W116 AromaticContact CD2-CH2 3.06Å; F55-W116 HydrophobicContact CD2-CH2 3.06Å; F55-W116 AromaticContact CD2-CZ2 3.87Å; F55-W116 HydrophobicContact CD2-CZ2 3.87Å; F55-W116 AromaticContact CD2-CZ3 2.79Å; F55-W116 HydrophobicContact CD2-CZ3 2.79Å; F55-W116 HydrophobicContact CE1-CH2 4.46Å; F55-W116 HydrophobicContact CE1-CZ3 4.26Å; F55-W116 AromaticContact CE2-CE3 3.44Å; F55-W116 HydrophobicContact CE2-CE3 3.44Å; F55-W116 VanDerWaalsContact CE2-CE3 3.44Å; F55-W116 AromaticContact CE2-CH2 3.67Å; F55-W116 HydrophobicContact CE2-CH2 3.67Å; F55-W116 AromaticContact CE2-CZ3 2.92Å; F55-W116 HydrophobicContact CE2-CZ3 2.92Å; F55-W116 HydrophobicContact CG-CE3 4.37Å; F55-W116 AromaticContact CG-CH2 3.22Å; F55-W116 HydrophobicContact CG-CH2 3.22Å; F55-W116 HydrophobicContact CG-CZ2 4.01Å; F55-W116 AromaticContact CG-CZ3 3.48Å; F55-W116 HydrophobicContact CG-CZ3 3.48Å; F55-W116 VanDerWaalsContact CG-CZ3 3.48Å; F55-W116 HydrophobicContact CZ-CE3 4.5Å; F55-W116 HydrophobicContact CZ-CH2 4.33Å; F55-W116 AromaticContact CZ-CZ3 3.7Å; F55-W116 HydrophobicContact CZ-CZ3 3.7Å; Y58-W116 HydrophobicContact CD1-CB 4Å; Y58-W116 HydrophobicContact CD1-CD2 4.09Å; Y58-W116 AromaticContact CD1-CE3 3.89Å; Y58-W116 HydrophobicContact CD1-CE3 3.89Å; Y58-W116 HydrophobicContact CD1-CG 4.2Å; Y58-W116 HydrophobicContact CD2-CB 4.16Å; Y58-W116 HydrophobicContact CE1-CB 3.58Å; Y58-W116 HydrophobicContact CE1-CD2 4.27Å; Y58-W116 AromaticContact CE1-CE3 3.93Å; Y58-W116 HydrophobicContact CE1-CE3 3.93Å; Y58-W116 HydrophobicContact CE1-CG 4.21Å; Y58-W116 HydrophobicContact CE2-CB 3.68Å; Y58-W116 HydrophobicContact CG-CB 4.25Å; Y58-W116 HydrophobicContact CG-CG 4.42Å; T114-W116 VanDerWaalsContact CB-CD1 3.45Å; T114-W116 PolarHBondContact O-N 3.47Å; T114-W116 VanDerWaalsContact O-N 3.12Å; T114-W116 PolarHBondContact OG1-NE1 3.45Å; W116-A118 VanDerWaalsContact C-N 3.35Å; W116-N119 PolarHBondContact O-N 3.1Å; W116-C120 PolarHBondContact O-N 3.3Å; W116-C120 PolarHBondContact O-SG 3.14Å |
| 117 | S | 48.7 | Very low | 48.5 | Very low | 26 Ų | 26 | 65.4 Ų | 65.4 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 179.5 | 65 | 0 | 0 | 0 | 0 | 110.9 | K112 T114 W115 C120 V121 | K112-S117 PolarHBondContact O-OG 3.08Å; T114-S117 WeakPolarHBondContact O-CB 3.4Å; T114-S117 PolarHBondContact O-N 3.44Å; T114-S117 PolarHBondContact O-OG 2.91Å; W115-S117 VanDerWaalsContact C-N 3.28Å; W115-S117 PolarHBondContact O-N 3.35Å; S117-C120 WeakPolarHBondContact O-CB 3.48Å; S117-C120 PolarHBondContact O-N 3.45Å; S117-V121 PolarHBondContact O-N 2.88Å |
| 118 | A | 44.8 | Very low | 48.4 | Very low | 48 Ų | 48 | 67.8 Ų | 67.8 | 40% | 0.397 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | W116 C120 V121 F122 | W116-A118 VanDerWaalsContact C-N 3.35Å; A118-C120 VanDerWaalsContact C-N 3.3Å; A118-C120 PolarHBondContact O-N 3.03Å; A118-V121 WeakPolarHBondContact O-CB 3.35Å; A118-V121 PolarHBondContact O-N 3.15Å; A118-V121 VanDerWaalsContact O-N 3.1Å; A118-F122 WeakPolarHBondContact O-CD2 3.18Å; A118-F122 PolarHBondContact O-N 3.41Å |
| 119 | N | 47.4 | Very low | 48.1 | Very low | 54 Ų | 54 | 67.2 Ų | 67.2 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.5 | -31.3 | 178.5 | -74.6 | -11.8 | 0 | 0 | 0 | 113.3 | Y58 W115 W116 V121 F122 C123 | Y58-N119 HydrophobicContact CE2-CB 4.03Å; W115-N119 VanDerWaalsContact CZ3-ND2 3.3Å; W115-N119 WeakPolarHBondContact CZ3-ND2 3.41Å; W116-N119 PolarHBondContact O-N 3.1Å; N119-V121 VanDerWaalsContact C-N 3.34Å; N119-F122 PolarHBondContact O-N 3.46Å; N119-C123 PolarHBondContact O-N 3.43Å; N119-C123 PolarHBondContact O-SG 3.39Å |
| 120 | C | 49.4 | Very low | 48 | Very low | 7 Ų | 7 | 66.6 Ų | 66.6 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 171 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | Y58 L107 I110 W116 S117 A118 F122 C123 I124 | Y58-C120 WeakPolarHBondContact CD2-SG 3.23Å; L107-C120 HydrophobicContact CD1-CB 3.92Å; I110-C120 WeakPolarHBondContact CD1-SG 3.33Å; W116-C120 PolarHBondContact O-N 3.3Å; W116-C120 PolarHBondContact O-SG 3.14Å; S117-C120 WeakPolarHBondContact O-CB 3.48Å; S117-C120 PolarHBondContact O-N 3.45Å; A118-C120 VanDerWaalsContact C-N 3.3Å; A118-C120 PolarHBondContact O-N 3.03Å; C120-F122 VanDerWaalsContact C-N 3.34Å; C120-C123 PolarHBondContact O-N 3.12Å; C120-I124 VanDerWaalsContact O-CG1 3.3Å; C120-I124 WeakPolarHBondContact O-CG1 3.28Å; C120-I124 PolarHBondContact O-N 2.82Å |
| 121 | V | 46.8 | Very low | 47.9 | Very low | 82 Ų | 82 | 66.6 Ų | 66.6 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 179.7 | 177.6 | 0 | 0 | 0 | 0 | 109.6 | S117 A118 N119 C123 I124 L125 | S117-V121 PolarHBondContact O-N 2.88Å; A118-V121 WeakPolarHBondContact O-CB 3.35Å; A118-V121 PolarHBondContact O-N 3.15Å; A118-V121 VanDerWaalsContact O-N 3.1Å; N119-V121 VanDerWaalsContact C-N 3.34Å; V121-C123 PolarHBondContact O-N 3.03Å; V121-I124 PolarHBondContact O-N 3.43Å; V121-L125 HydrophobicContact CG1-CD1 3.81Å; V121-L125 HydrophobicContact CG1-CG 4.29Å; V121-L125 WeakPolarHBondContact O-CB 3.26Å; V121-L125 VanDerWaalsContact O-CG 3.24Å; V121-L125 WeakPolarHBondContact O-CG 3.38Å; V121-L125 PolarHBondContact O-N 2.98Å |
| 122 | F | 45.5 | Very low | 47.4 | Very low | 133 Ų | 133 | 66.4 Ų | 66.4 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.5 | -47.7 | 175.7 | -81.9 | -69 | 0 | 0 | 0 | 112.5 | A118 N119 C120 I124 L125 E126 | A118-F122 WeakPolarHBondContact O-CD2 3.18Å; A118-F122 PolarHBondContact O-N 3.41Å; N119-F122 PolarHBondContact O-N 3.46Å; C120-F122 VanDerWaalsContact C-N 3.34Å; F122-I124 VanDerWaalsContact C-N 3.35Å; F122-I124 PolarHBondContact O-N 2.91Å; F122-L125 PolarHBondContact O-N 2.88Å; F122-E126 VanDerWaalsContact O-CB 3.31Å; F122-E126 WeakPolarHBondContact O-CB 3.48Å; F122-E126 PolarHBondContact O-N 3.24Å |
| 123 | C | 45.8 | Very low | 47.1 | Very low | 10 Ų | 10 | 60 Ų | 60 | 7% | 0.068 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.2 | -35.4 | 179.2 | -71.4 | 0 | 0 | 0 | 0 | 113.4 | Q62 N119 C120 V121 L125 A127 | Q62-C123 PolarHBondContact NE2-SG 2.88Å; Q62-C123 PolarHBondContact OE1-SG 3.27Å; N119-C123 PolarHBondContact O-N 3.43Å; N119-C123 PolarHBondContact O-SG 3.39Å; C120-C123 PolarHBondContact O-N 3.12Å; V121-C123 PolarHBondContact O-N 3.03Å; C123-L125 VanDerWaalsContact C-N 3.34Å; C123-A127 WeakPolarHBondContact O-CB 3.41Å; C123-A127 PolarHBondContact O-N 3.28Å |
| 124 | I | 45.4 | Very low | 47 | Very low | 37 Ų | 37 | 53.2 Ų | 53.2 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 173.4 | -72 | 165.5 | 0 | 0 | 0 | 110.6 | L101 A104 L107 C120 V121 F122 H128 | L101-I124 HydrophobicContact CD2-CB 4.38Å; L101-I124 HydrophobicContact CD2-CG2 3.83Å; L101-I124 WeakPolarHBondContact CD2-O 3.35Å; A104-I124 HydrophobicContact CB-CD1 3.53Å; A104-I124 HydrophobicContact CB-CG1 4.05Å; L107-I124 HydrophobicContact CD1-CD1 4Å; C120-I124 VanDerWaalsContact O-CG1 3.3Å; C120-I124 WeakPolarHBondContact O-CG1 3.28Å; C120-I124 PolarHBondContact O-N 2.82Å; V121-I124 PolarHBondContact O-N 3.43Å; F122-I124 VanDerWaalsContact C-N 3.35Å; F122-I124 PolarHBondContact O-N 2.91Å; I124-H128 PolarHBondContact O-N 3.13Å; I124-H128 PolarHBondContact O-ND1 3.34Å |
| 125 | L | 43.4 | Very low | 46.6 | Very low | 99 Ų | 99 | 53 Ų | 53 | 52% | 0.518 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.1 | -45.3 | 179.8 | -71.9 | 173.6 | 0 | 0 | 0 | 111.4 | V121 F122 C123 H128 Q129 | V121-L125 HydrophobicContact CG1-CD1 3.81Å; V121-L125 HydrophobicContact CG1-CG 4.29Å; V121-L125 WeakPolarHBondContact O-CB 3.26Å; V121-L125 VanDerWaalsContact O-CG 3.24Å; V121-L125 WeakPolarHBondContact O-CG 3.38Å; V121-L125 PolarHBondContact O-N 2.98Å; F122-L125 PolarHBondContact O-N 2.88Å; C123-L125 VanDerWaalsContact C-N 3.34Å; L125-H128 WeakPolarHBondContact O-CB 3.35Å; L125-H128 PolarHBondContact O-N 3.45Å; L125-Q129 WeakPolarHBondContact O-CB 3.44Å; L125-Q129 PolarHBondContact O-N 3.3Å |
| 126 | E | 46.5 | Very low | 46.2 | Very low | 84 Ų | 84 | 52.6 Ų | 52.6 | 39% | 0.393 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 176.5 | -173.8 | 178.2 | -163.8 | 0 | 0 | 110.7 | F122 H128 Q129 M130 | F122-E126 VanDerWaalsContact O-CB 3.31Å; F122-E126 WeakPolarHBondContact O-CB 3.48Å; F122-E126 PolarHBondContact O-N 3.24Å; E126-H128 VanDerWaalsContact C-N 3.31Å; E126-H128 PolarHBondContact O-N 2.97Å; E126-Q129 PolarHBondContact O-N 2.91Å; E126-M130 HydrophobicContact CG-CG 4.28Å; E126-M130 HydrophobicContact CG-SD 3.72Å; E126-M130 WeakPolarHBondContact O-CB 3.48Å; E126-M130 VanDerWaalsContact O-CG 3.31Å; E126-M130 WeakPolarHBondContact O-CG 3.39Å; E126-M130 PolarHBondContact O-N 2.94Å |
| 127 | A | 43.9 | Very low | 45.8 | Very low | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y97 V100 L101 C123 L131 | Y97-A127 VanDerWaalsContact CD1-CA 3.42Å; Y97-A127 HydrophobicContact CD1-CB 3.37Å; Y97-A127 HydrophobicContact CE1-CB 4.13Å; Y97-A127 HydrophobicContact CG-CB 4.02Å; V100-A127 HydrophobicContact CB-CB 4.23Å; V100-A127 HydrophobicContact CG1-CB 4.15Å; L101-A127 HydrophobicContact CD2-CB 4.03Å; L101-A127 HydrophobicContact CG-CB 4.47Å; C123-A127 WeakPolarHBondContact O-CB 3.41Å; C123-A127 PolarHBondContact O-N 3.28Å; A127-L131 WeakPolarHBondContact O-CB 3.4Å; A127-L131 PolarHBondContact O-N 2.74Å |
| 128 | H | 45.7 | Very low | 45.6 | Very low | 64 Ų | 64 | 64.7 Ų | 64.7 | 30% | 0.296 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 174.2 | -91 | 81.8 | 0 | 0 | 0 | 112 | L101 I124 L125 E126 S132 | L101-H128 WeakPolarHBondContact CD1-CE1 3.48Å; L101-H128 WeakPolarHBondContact CD1-ND1 3.46Å; L101-H128 WeakPolarHBondContact CD2-CE1 3.03Å; L101-H128 WeakPolarHBondContact CD2-ND1 3.41Å; I124-H128 PolarHBondContact O-N 3.13Å; I124-H128 PolarHBondContact O-ND1 3.34Å; L125-H128 WeakPolarHBondContact O-CB 3.35Å; L125-H128 PolarHBondContact O-N 3.45Å; E126-H128 VanDerWaalsContact C-N 3.31Å; E126-H128 PolarHBondContact O-N 2.97Å; H128-S132 VanDerWaalsContact O-CB 3.3Å; H128-S132 WeakPolarHBondContact O-CB 3.37Å; H128-S132 PolarHBondContact O-N 2.89Å; H128-S132 PolarHBondContact O-OG 3.03Å |
| 129 | Q | 43.6 | Very low | 45.9 | Very low | 135 Ų | 135 | 68.7 Ų | 68.7 | 63% | 0.631 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.4 | -44.8 | -177.2 | -176.8 | 177.7 | -5.4 | 0 | 0 | 111.2 | L125 E126 S132 S133 | L125-Q129 WeakPolarHBondContact O-CB 3.44Å; L125-Q129 PolarHBondContact O-N 3.3Å; E126-Q129 PolarHBondContact O-N 2.91Å; Q129-S132 PolarHBondContact O-N 3.34Å; Q129-S133 VanDerWaalsContact O-CB 3.32Å; Q129-S133 WeakPolarHBondContact O-CB 3.42Å; Q129-S133 PolarHBondContact O-N 3.49Å; Q129-S133 PolarHBondContact O-OG 2.97Å |
| 130 | M | 48.5 | Very low | 45.6 | Very low | 48 Ų | 48 | 66.9 Ų | 66.9 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.6 | -43 | -179 | -68 | -178.4 | 92.5 | 0 | 0 | 111.7 | M72 Y97 E126 S132 S133 L134 | M72-M130 HydrophobicContact CG-CE 4.17Å; Y97-M130 HydrophobicContact CD2-CB 4.2Å; Y97-M130 HydrophobicContact CE1-SD 4.31Å; Y97-M130 HydrophobicContact CE2-CB 3.62Å; Y97-M130 HydrophobicContact CE2-SD 4.23Å; Y97-M130 WeakPolarHBondContact OH-CE 3.18Å; Y97-M130 PolarHBondContact OH-SD 3.48Å; E126-M130 HydrophobicContact CG-CG 4.28Å; E126-M130 HydrophobicContact CG-SD 3.72Å; E126-M130 WeakPolarHBondContact O-CB 3.48Å; E126-M130 VanDerWaalsContact O-CG 3.31Å; E126-M130 WeakPolarHBondContact O-CG 3.39Å; E126-M130 PolarHBondContact O-N 2.94Å; M130-S132 VanDerWaalsContact C-N 3.33Å; M130-S132 PolarHBondContact O-N 3.2Å; M130-S133 PolarHBondContact O-N 3.34Å; M130-L134 WeakPolarHBondContact O-CB 3.46Å; M130-L134 PolarHBondContact O-N 2.93Å |
| 131 | L | 48.7 | Very low | 45.5 | Very low | 18 Ų | 18 | 69.5 Ų | 69.5 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 174.1 | -176.9 | 67.9 | 0 | 0 | 0 | 111.4 | C94 L101 A127 L134 L135 | C94-L131 HydrophobicContact CB-CD1 3.61Å; L101-L131 HydrophobicContact CD1-CD2 4.49Å; A127-L131 WeakPolarHBondContact O-CB 3.4Å; A127-L131 PolarHBondContact O-N 2.74Å; L131-L134 PolarHBondContact O-N 3.3Å; L131-L135 HydrophobicContact CD1-CD1 4.01Å; L131-L135 HydrophobicContact CD1-CG 4.43Å; L131-L135 HydrophobicContact CG-CD1 4Å; L131-L135 WeakPolarHBondContact O-CG 3.44Å; L131-L135 PolarHBondContact O-N 3.41Å; L131-L135 VanDerWaalsContact O-N 3.08Å |
| 132 | S | 43.1 | Very low | 45.5 | Very low | 47 Ų | 47 | 70.9 Ų | 70.9 | 33% | 0.329 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 178.1 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | H128 Q129 M130 L134 L135 L136 | H128-S132 VanDerWaalsContact O-CB 3.3Å; H128-S132 WeakPolarHBondContact O-CB 3.37Å; H128-S132 PolarHBondContact O-N 2.89Å; H128-S132 PolarHBondContact O-OG 3.03Å; Q129-S132 PolarHBondContact O-N 3.34Å; M130-S132 VanDerWaalsContact C-N 3.33Å; M130-S132 PolarHBondContact O-N 3.2Å; S132-L134 VanDerWaalsContact C-N 3.33Å; S132-L134 PolarHBondContact O-N 3.39Å; S132-L135 PolarHBondContact O-N 3.29Å; S132-L136 WeakPolarHBondContact O-CB 3.35Å; S132-L136 VanDerWaalsContact O-CG 3.26Å; S132-L136 WeakPolarHBondContact O-CG 3.47Å; S132-L136 PolarHBondContact O-N 2.89Å |
| 133 | S | 43.7 | Very low | 45.5 | Very low | 60 Ų | 60 | 67.7 Ų | 67.7 | 42% | 0.42 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.1 | -34.7 | 179.4 | -59.2 | 0 | 0 | 0 | 0 | 112.9 | Q129 M130 | Q129-S133 VanDerWaalsContact O-CB 3.32Å; Q129-S133 WeakPolarHBondContact O-CB 3.42Å; Q129-S133 PolarHBondContact O-N 3.49Å; Q129-S133 PolarHBondContact O-OG 2.97Å; M130-S133 PolarHBondContact O-N 3.34Å |
| 134 | L | 47.1 | Very low | 45.2 | Very low | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.7 | -50.4 | 175.3 | -84.5 | 166.3 | 0 | 0 | 0 | 111.7 | M72 L75 V93 M130 L131 S132 L136 K137 V140 | M72-L134 HydrophobicContact CE-CD2 3.62Å; M72-L134 HydrophobicContact CE-CG 4.15Å; M72-L134 HydrophobicContact SD-CD1 3.91Å; M72-L134 HydrophobicContact SD-CD2 3.7Å; M72-L134 HydrophobicContact SD-CG 4.12Å; L75-L134 HydrophobicContact CD2-CD2 4.13Å; V93-L134 HydrophobicContact CB-CD1 4.22Å; V93-L134 HydrophobicContact CG1-CD1 3.43Å; V93-L134 VanDerWaalsContact CG1-CD1 3.43Å; M130-L134 WeakPolarHBondContact O-CB 3.46Å; M130-L134 PolarHBondContact O-N 2.93Å; L131-L134 PolarHBondContact O-N 3.3Å; S132-L134 VanDerWaalsContact C-N 3.33Å; S132-L134 PolarHBondContact O-N 3.39Å; L134-L136 PolarHBondContact O-N 3.24Å; L134-K137 PolarHBondContact O-N 3.39Å; L134-K137 VanDerWaalsContact O-N 3.17Å; L134-V140 HydrophobicContact CD2-CG1 4.36Å; L134-V140 VanDerWaalsContact O-CG1 3.29Å; L134-V140 WeakPolarHBondContact O-CG1 3.28Å |
| 135 | L | 46.9 | Very low | 45.2 | Very low | 32 Ų | 32 | 70.6 Ų | 70.6 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.6 | -14.3 | -176.8 | -64.4 | 174.6 | 0 | 0 | 0 | 113.6 | L131 S132 F144 | L131-L135 HydrophobicContact CD1-CD1 4.01Å; L131-L135 HydrophobicContact CD1-CG 4.43Å; L131-L135 HydrophobicContact CG-CD1 4Å; L131-L135 WeakPolarHBondContact O-CG 3.44Å; L131-L135 PolarHBondContact O-N 3.41Å; L131-L135 VanDerWaalsContact O-N 3.08Å; S132-L135 PolarHBondContact O-N 3.29Å; L135-F144 HydrophobicContact CD2-CD1 3.75Å; L135-F144 HydrophobicContact CD2-CE1 3.89Å; L135-F144 HydrophobicContact CD2-CG 4.12Å; L135-F144 HydrophobicContact CD2-CZ 4.41Å |
| 136 | L | 42.9 | Very low | 45.3 | Very low | 101 Ų | 101 | 68.9 Ų | 68.9 | 53% | 0.529 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -29.3 | 171.2 | -90.5 | 170.5 | 0 | 0 | 0 | 113.4 | S132 L134 R138 Y201 | S132-L136 WeakPolarHBondContact O-CB 3.35Å; S132-L136 VanDerWaalsContact O-CG 3.26Å; S132-L136 WeakPolarHBondContact O-CG 3.47Å; S132-L136 PolarHBondContact O-N 2.89Å; L134-L136 PolarHBondContact O-N 3.24Å; L136-R138 PolarHBondContact O-N 2.91Å; L136-Y201 HydrophobicContact CD2-CD2 4.15Å; L136-Y201 HydrophobicContact CD2-CE2 3.14Å; L136-Y201 VanDerWaalsContact CD2-CZ 3.46Å; L136-Y201 VanDerWaalsContact CD2-OH 3.24Å; L136-Y201 WeakPolarHBondContact CD2-OH 3.41Å; L136-Y201 HydrophobicContact CG-CE2 3.89Å; L136-Y201 VanDerWaalsContact CG-OH 3.22Å; L136-Y201 WeakPolarHBondContact CG-OH 3.38Å |
| 137 | K | 43.6 | Very low | 44.9 | Very low | 117 Ų | 117 | 65.4 Ų | 65.4 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -76.6 | 120.3 | -178.6 | -67.5 | -176.5 | 179.2 | -174 | 0 | 109 | L134 E139 V140 K141 | L134-K137 PolarHBondContact O-N 3.39Å; L134-K137 VanDerWaalsContact O-N 3.17Å; K137-E139 VanDerWaalsContact C-N 3.32Å; K137-E139 PolarHBondContact O-N 3.46Å; K137-V140 HydrophobicContact CB-CB 3.84Å; K137-V140 HydrophobicContact CB-CG2 3.63Å; K137-V140 HydrophobicContact CD-CG2 4.11Å; K137-V140 WeakPolarHBondContact O-CB 3.31Å; K137-V140 PolarHBondContact O-N 3.26Å; K137-K141 WeakPolarHBondContact O-CB 3.38Å; K137-K141 PolarHBondContact O-N 3.11Å |
| 138 | R | 45.8 | Very low | 44.8 | Very low | 178 Ų | 178 | 68.6 Ų | 68.6 | 67% | 0.672 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.5 | -42.5 | -171.4 | -176.8 | 179.9 | 174.8 | 172.5 | -0.3 | 112.2 | L136 K141 E142 | L136-R138 PolarHBondContact O-N 2.91Å; R138-K141 WeakPolarHBondContact O-CB 3.39Å; R138-K141 PolarHBondContact O-N 3.24Å; R138-E142 IonicContact CZ-OE1 3.03Å; R138-E142 IonicContact NE-OE1 2.67Å; R138-E142 PolarHBondContact NE-OE1 2.89Å; R138-E142 IonicContact NH2-OE1 2.64Å; R138-E142 WeakPolarHBondContact O-CG 3.15Å; R138-E142 PolarHBondContact O-N 3.44Å |
| 139 | E | 49 | Very low | 44.5 | Very low | 131 Ų | 131 | 74.4 Ų | 74.4 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64 | -45 | 179.7 | -52 | 78.6 | -169 | 0 | 0 | 110.4 | K137 K141 E142 E143 | K137-E139 VanDerWaalsContact C-N 3.32Å; K137-E139 PolarHBondContact O-N 3.46Å; E139-K141 VanDerWaalsContact C-N 3.31Å; E139-K141 PolarHBondContact O-N 3.17Å; E139-E142 PolarHBondContact O-N 3.02Å; E139-E143 WeakPolarHBondContact O-CB 3.35Å; E139-E143 PolarHBondContact O-N 3.49Å |
| 140 | V | 43.2 | Very low | 44.3 | Very low | 17 Ų | 17 | 70 Ų | 70 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 176 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | I90 L134 K137 F144 | I90-V140 HydrophobicContact CD1-CB 4.49Å; I90-V140 HydrophobicContact CD1-CG1 4Å; I90-V140 HydrophobicContact CD1-CG2 4.18Å; I90-V140 HydrophobicContact CG1-CG1 4.26Å; I90-V140 HydrophobicContact CG2-CG1 3.52Å; L134-V140 HydrophobicContact CD2-CG1 4.36Å; L134-V140 VanDerWaalsContact O-CG1 3.29Å; L134-V140 WeakPolarHBondContact O-CG1 3.28Å; K137-V140 HydrophobicContact CB-CB 3.84Å; K137-V140 HydrophobicContact CB-CG2 3.63Å; K137-V140 HydrophobicContact CD-CG2 4.11Å; K137-V140 WeakPolarHBondContact O-CB 3.31Å; K137-V140 PolarHBondContact O-N 3.26Å; V140-F144 WeakPolarHBondContact O-CA 3.15Å; V140-F144 WeakPolarHBondContact O-CB 3.5Å; V140-F144 PolarHBondContact O-N 3.32Å |
| 141 | K | 45.9 | Very low | 44.1 | Very low | 61 Ų | 61 | 72.5 Ų | 72.5 | 27% | 0.265 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.6 | -49.2 | 178.7 | -170.5 | 177.6 | -175 | 173.2 | 0 | 111.1 | K137 R138 E139 F144 F145 H205 | K137-K141 WeakPolarHBondContact O-CB 3.38Å; K137-K141 PolarHBondContact O-N 3.11Å; R138-K141 WeakPolarHBondContact O-CB 3.39Å; R138-K141 PolarHBondContact O-N 3.24Å; E139-K141 VanDerWaalsContact C-N 3.31Å; E139-K141 PolarHBondContact O-N 3.17Å; K141-F144 PolarHBondContact O-N 3.02Å; K141-F145 HydrophobicContact CD-CE2 4.12Å; K141-F145 HydrophobicContact CG-CD2 3.67Å; K141-F145 HydrophobicContact CG-CE2 3.44Å; K141-F145 VanDerWaalsContact CG-CE2 3.44Å; K141-F145 WeakPolarHBondContact O-CB 3.25Å; K141-F145 WeakPolarHBondContact O-CD2 3.24Å; K141-F145 PolarHBondContact O-N 3.38Å; K141-H205 PolarHBondContact NZ-O 3.24Å |
| 142 | E | 48 | Very low | 43.5 | Very low | 111 Ų | 111 | 73.7 Ų | 73.7 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64 | -46 | 179.7 | -72.3 | 176.1 | -166.4 | 0 | 0 | 111.3 | R138 E139 F145 A146 | R138-E142 IonicContact CZ-OE1 3.03Å; R138-E142 IonicContact NE-OE1 2.67Å; R138-E142 PolarHBondContact NE-OE1 2.89Å; R138-E142 IonicContact NH2-OE1 2.64Å; R138-E142 WeakPolarHBondContact O-CG 3.15Å; R138-E142 PolarHBondContact O-N 3.44Å; E139-E142 PolarHBondContact O-N 3.02Å; E142-F145 PolarHBondContact O-N 3.4Å; E142-A146 VanDerWaalsContact O-CB 3.25Å; E142-A146 WeakPolarHBondContact O-CB 3.23Å; E142-A146 PolarHBondContact O-N 3.04Å |
| 143 | E | 43.8 | Very low | 43 | Very low | 66 Ų | 66 | 72.9 Ų | 72.9 | 31% | 0.308 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 175.3 | -75.3 | -173.2 | 178.5 | 0 | 0 | 112.7 | A87 E139 A146 A147 | A87-E143 HydrophobicContact CB-CB 4.18Å; E139-E143 WeakPolarHBondContact O-CB 3.35Å; E139-E143 PolarHBondContact O-N 3.49Å; E143-A146 PolarHBondContact O-N 3.07Å; E143-A147 WeakPolarHBondContact O-CB 3.19Å; E143-A147 PolarHBondContact O-N 3.04Å |
| 144 | F | 41.4 | Very low | 42.7 | Very low | 30 Ų | 30 | 74.8 Ų | 74.8 | 13% | 0.132 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60 | -46.8 | 175.4 | 176.4 | -102 | 0 | 0 | 0 | 111.1 | I90 I91 C94 L135 V140 K141 A147 L148 | I90-F144 HydrophobicContact CG2-CB 4.48Å; I90-F144 HydrophobicContact CG2-CD2 4.34Å; I91-F144 HydrophobicContact CB-CD2 4.44Å; I91-F144 HydrophobicContact CG1-CD2 3.68Å; I91-F144 HydrophobicContact CG1-CE2 4.08Å; C94-F144 HydrophobicContact CB-CD2 4.39Å; C94-F144 HydrophobicContact CB-CE2 3.68Å; C94-F144 HydrophobicContact CB-CZ 4.25Å; L135-F144 HydrophobicContact CD2-CD1 3.75Å; L135-F144 HydrophobicContact CD2-CE1 3.89Å; L135-F144 HydrophobicContact CD2-CG 4.12Å; L135-F144 HydrophobicContact CD2-CZ 4.41Å; V140-F144 WeakPolarHBondContact O-CA 3.15Å; V140-F144 WeakPolarHBondContact O-CB 3.5Å; V140-F144 PolarHBondContact O-N 3.32Å; K141-F144 PolarHBondContact O-N 3.02Å; F144-A147 PolarHBondContact O-N 3.48Å; F144-L148 HydrophobicContact CD1-CD1 3.75Å; F144-L148 HydrophobicContact CD1-CG 4.34Å; F144-L148 HydrophobicContact CE1-CD1 3.34Å; F144-L148 HydrophobicContact CE1-CG 4.07Å; F144-L148 HydrophobicContact CZ-CD1 3.82Å; F144-L148 HydrophobicContact CZ-CD2 4.34Å; F144-L148 HydrophobicContact CZ-CG 4.16Å; F144-L148 WeakPolarHBondContact O-CB 3.31Å; F144-L148 VanDerWaalsContact O-CG 3.26Å; F144-L148 WeakPolarHBondContact O-CG 3.34Å; F144-L148 PolarHBondContact O-N 2.92Å |
| 145 | F | 45.3 | Very low | 42.2 | Very low | 79 Ų | 79 | 79.5 Ų | 79.5 | 35% | 0.346 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71.1 | -34.7 | 177.5 | -76.5 | -61.3 | 0 | 0 | 0 | 113.4 | K141 E142 L148 K149 | K141-F145 HydrophobicContact CD-CE2 4.12Å; K141-F145 HydrophobicContact CG-CD2 3.67Å; K141-F145 HydrophobicContact CG-CE2 3.44Å; K141-F145 VanDerWaalsContact CG-CE2 3.44Å; K141-F145 WeakPolarHBondContact O-CB 3.25Å; K141-F145 WeakPolarHBondContact O-CD2 3.24Å; K141-F145 PolarHBondContact O-N 3.38Å; E142-F145 PolarHBondContact O-N 3.4Å; F145-L148 HydrophobicContact CD1-CD1 3.66Å; F145-L148 HydrophobicContact CE1-CD1 3.98Å; F145-L148 PolarHBondContact O-N 2.97Å; F145-K149 WeakPolarHBondContact O-CG 3.46Å; F145-K149 PolarHBondContact O-N 3.28Å |
| 146 | A | 44.3 | Very low | 41.4 | Very low | 62 Ų | 62 | 79.5 Ų | 79.5 | 51% | 0.512 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | E142 E143 K149 S150 | E142-A146 VanDerWaalsContact O-CB 3.25Å; E142-A146 WeakPolarHBondContact O-CB 3.23Å; E142-A146 PolarHBondContact O-N 3.04Å; E143-A146 PolarHBondContact O-N 3.07Å; A146-K149 WeakPolarHBondContact O-CB 3.3Å; A146-K149 PolarHBondContact O-N 2.95Å; A146-S150 PolarHBondContact O-N 3.17Å |
| 147 | A | 39.3 | Very low | 41 | Very low | 12 Ų | 12 | 76.8 Ų | 76.8 | 10% | 0.099 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -73 | -31 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I91 E143 F144 K149 S150 | I91-A147 HydrophobicContact CD1-CB 3.15Å; I91-A147 HydrophobicContact CG1-CB 4.29Å; E143-A147 WeakPolarHBondContact O-CB 3.19Å; E143-A147 PolarHBondContact O-N 3.04Å; F144-A147 PolarHBondContact O-N 3.48Å; A147-K149 PolarHBondContact O-N 2.72Å; A147-S150 WeakPolarHBondContact O-CB 3.23Å; A147-S150 PolarHBondContact O-N 2.97Å; A147-S150 PolarHBondContact O-OG 2.98Å |
| 148 | L | 40.3 | Very low | 40.7 | Very low | 67 Ų | 67 | 73.9 Ų | 73.9 | 35% | 0.351 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.5 | -30 | 168.6 | -84.1 | 175.4 | 0 | 0 | 0 | 112.7 | F144 F145 S150 L153 | F144-L148 HydrophobicContact CD1-CD1 3.75Å; F144-L148 HydrophobicContact CD1-CG 4.34Å; F144-L148 HydrophobicContact CE1-CD1 3.34Å; F144-L148 HydrophobicContact CE1-CG 4.07Å; F144-L148 HydrophobicContact CZ-CD1 3.82Å; F144-L148 HydrophobicContact CZ-CD2 4.34Å; F144-L148 HydrophobicContact CZ-CG 4.16Å; F144-L148 WeakPolarHBondContact O-CB 3.31Å; F144-L148 VanDerWaalsContact O-CG 3.26Å; F144-L148 WeakPolarHBondContact O-CG 3.34Å; F144-L148 PolarHBondContact O-N 2.92Å; F145-L148 HydrophobicContact CD1-CD1 3.66Å; F145-L148 HydrophobicContact CE1-CD1 3.98Å; F145-L148 PolarHBondContact O-N 2.97Å; L148-S150 VanDerWaalsContact C-N 3.35Å; L148-L153 HydrophobicContact CD2-CD1 4.02Å; L148-L153 HydrophobicContact CD2-CD2 3.57Å; L148-L153 HydrophobicContact CD2-CG 4.43Å |
| 149 | K | 40.8 | Very low | 40.1 | Very low | 186 Ų | 186 | 72.2 Ų | 72.2 | 81% | 0.809 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -8.9 | 176.7 | -67.9 | 175 | -179 | -178.4 | 0 | 113.4 | F145 A146 A147 | F145-K149 WeakPolarHBondContact O-CG 3.46Å; F145-K149 PolarHBondContact O-N 3.28Å; A146-K149 WeakPolarHBondContact O-CB 3.3Å; A146-K149 PolarHBondContact O-N 2.95Å; A147-K149 PolarHBondContact O-N 2.72Å |
| 150 | S | 38.9 | Very low | 39.2 | Very low | 42 Ų | 42 | 66.1 Ų | 66.1 | 29% | 0.294 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -88.2 | 143.1 | -176.9 | 77.9 | 0 | 0 | 0 | 0 | 111.6 | A146 A147 L148 A152 L153 | A146-S150 PolarHBondContact O-N 3.17Å; A147-S150 WeakPolarHBondContact O-CB 3.23Å; A147-S150 PolarHBondContact O-N 2.97Å; A147-S150 PolarHBondContact O-OG 2.98Å; L148-S150 VanDerWaalsContact C-N 3.35Å; S150-A152 PolarHBondContact O-N 3.28Å; S150-A152 VanDerWaalsContact O-N 3.16Å; S150-L153 VanDerWaalsContact O-CB 3.29Å; S150-L153 WeakPolarHBondContact O-CB 3.3Å; S150-L153 PolarHBondContact O-N 2.7Å |
| 151 | S | 44.3 | Very low | 38.6 | Very low | 101 Ų | 101 | 66.2 Ų | 66.2 | 71% | 0.706 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.2 | -22.8 | 174 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | L153 T154 | S151-L153 PolarHBondContact O-N 3.42Å; S151-T154 PolarHBondContact O-N 3.05Å; S151-T154 VanDerWaalsContact O-N 3.13Å |
| 152 | A | 35.5 | Very low | 37.9 | Very low | 43 Ų | 43 | 66.6 Ų | 66.6 | 36% | 0.355 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61 | -27 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S150 T154 D155 L156 | S150-A152 PolarHBondContact O-N 3.28Å; S150-A152 VanDerWaalsContact O-N 3.16Å; A152-T154 VanDerWaalsContact C-N 3.34Å; A152-D155 PolarHBondContact O-N 3.46Å; A152-L156 WeakPolarHBondContact O-CB 3.47Å; A152-L156 PolarHBondContact O-N 2.83Å |
| 153 | L | 34.2 | Very low | 37 | Very low | 29 Ų | 29 | 66.3 Ų | 66.3 | 15% | 0.152 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 174 | -173.9 | 81.2 | 0 | 0 | 0 | 111.1 | I91 L148 S150 S151 D155 L156 V157 | I91-L153 HydrophobicContact CD1-CD1 4.01Å; I91-L153 HydrophobicContact CG1-CD1 4.47Å; I91-L153 HydrophobicContact CG2-CD1 3.48Å; I91-L153 VanDerWaalsContact CG2-CD1 3.48Å; L148-L153 HydrophobicContact CD2-CD1 4.02Å; L148-L153 HydrophobicContact CD2-CD2 3.57Å; L148-L153 HydrophobicContact CD2-CG 4.43Å; S150-L153 VanDerWaalsContact O-CB 3.29Å; S150-L153 WeakPolarHBondContact O-CB 3.3Å; S150-L153 PolarHBondContact O-N 2.7Å; S151-L153 PolarHBondContact O-N 3.42Å; L153-D155 VanDerWaalsContact C-N 3.31Å; L153-D155 PolarHBondContact O-N 3.15Å; L153-L156 PolarHBondContact O-N 3.31Å; L153-V157 HydrophobicContact CD1-CG2 4.16Å; L153-V157 HydrophobicContact CG-CG2 3.97Å; L153-V157 VanDerWaalsContact O-CB 3.31Å; L153-V157 WeakPolarHBondContact O-CB 3.43Å; L153-V157 VanDerWaalsContact O-CG2 3.3Å; L153-V157 WeakPolarHBondContact O-CG2 3.34Å; L153-V157 PolarHBondContact O-N 2.78Å |
| 154 | T | 35.9 | Very low | 36.4 | Very low | 100 Ų | 100 | 65.5 Ų | 65.5 | 61% | 0.613 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | -177.7 | -41.8 | 0 | 0 | 0 | 0 | 110.4 | S151 A152 A158 | S151-T154 PolarHBondContact O-N 3.05Å; S151-T154 VanDerWaalsContact O-N 3.13Å; A152-T154 VanDerWaalsContact C-N 3.34Å; T154-A158 WeakPolarHBondContact O-CB 3.46Å; T154-A158 PolarHBondContact O-N 3.4Å |
| 155 | D | 36.2 | Very low | 35.6 | Very low | 105 Ų | 105 | 68.4 Ų | 68.4 | 56% | 0.561 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.7 | -37.6 | 175.3 | -73.1 | -15.3 | 0 | 0 | 0 | 112.6 | A152 L153 K159 | A152-D155 PolarHBondContact O-N 3.46Å; L153-D155 VanDerWaalsContact C-N 3.31Å; L153-D155 PolarHBondContact O-N 3.15Å; D155-K159 WeakPolarHBondContact O-CB 3.45Å; D155-K159 VanDerWaalsContact O-CG 3.25Å; D155-K159 WeakPolarHBondContact O-CG 3.41Å; D155-K159 PolarHBondContact O-N 3.3Å |
| 156 | L | 31.1 | Very low | 34.6 | Very low | 32 Ų | 32 | 70.3 Ų | 70.3 | 17% | 0.168 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -72.1 | -44.9 | -179.1 | -167 | 71.7 | 0 | 0 | 0 | 111.6 | N88 I91 L92 A152 L153 A158 K159 T160 | N88-L156 HydrophobicContact CB-CD2 3.99Å; I91-L156 HydrophobicContact CB-CD2 4.41Å; I91-L156 HydrophobicContact CG2-CD2 4.15Å; L92-L156 HydrophobicContact CD1-CD1 4.11Å; L92-L156 HydrophobicContact CD1-CD2 4.49Å; L92-L156 HydrophobicContact CD1-CG 4.46Å; L92-L156 HydrophobicContact CD2-CD1 4.16Å; L92-L156 HydrophobicContact CD2-CD2 4.11Å; L92-L156 HydrophobicContact CD2-CG 3.78Å; L92-L156 HydrophobicContact CG-CD1 4.26Å; L92-L156 HydrophobicContact CG-CD2 3.92Å; L92-L156 HydrophobicContact CG-CG 4.06Å; A152-L156 WeakPolarHBondContact O-CB 3.47Å; A152-L156 PolarHBondContact O-N 2.83Å; L153-L156 PolarHBondContact O-N 3.31Å; L156-A158 VanDerWaalsContact C-N 3.35Å; L156-K159 PolarHBondContact O-N 2.87Å; L156-T160 WeakPolarHBondContact O-CB 3.45Å; L156-T160 PolarHBondContact O-N 3.47Å; L156-T160 PolarHBondContact O-OG1 3.39Å |
| 157 | V | 35.1 | Very low | 33.7 | Very low | 43 Ų | 43 | 73.1 Ų | 73.1 | 26% | 0.261 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 171.6 | 172.7 | 0 | 0 | 0 | 0 | 109.6 | Y95 L153 K159 T160 A161 | Y95-V157 HydrophobicContact CD2-CG2 4.37Å; Y95-V157 HydrophobicContact CE2-CG1 3.91Å; Y95-V157 HydrophobicContact CE2-CG2 4.41Å; L153-V157 HydrophobicContact CD1-CG2 4.16Å; L153-V157 HydrophobicContact CG-CG2 3.97Å; L153-V157 VanDerWaalsContact O-CB 3.31Å; L153-V157 WeakPolarHBondContact O-CB 3.43Å; L153-V157 VanDerWaalsContact O-CG2 3.3Å; L153-V157 WeakPolarHBondContact O-CG2 3.34Å; L153-V157 PolarHBondContact O-N 2.78Å; V157-K159 PolarHBondContact O-N 2.83Å; V157-T160 PolarHBondContact O-N 2.82Å; V157-A161 WeakPolarHBondContact O-CA 3.5Å; V157-A161 WeakPolarHBondContact O-CB 3.29Å; V157-A161 PolarHBondContact O-N 3.4Å |
| 158 | A | 35.8 | Very low | 33.1 | Very low | 57 Ų | 57 | 78.1 Ų | 78.1 | 47% | 0.471 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | T154 L156 A162 | T154-A158 WeakPolarHBondContact O-CB 3.46Å; T154-A158 PolarHBondContact O-N 3.4Å; L156-A158 VanDerWaalsContact C-N 3.35Å; A158-A162 WeakPolarHBondContact O-CB 3.43Å; A158-A162 PolarHBondContact O-N 3.37Å |
| 159 | K | 33 | Very low | 32.4 | Very low | 142 Ų | 142 | 85 Ų | 85 | 62% | 0.617 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.2 | -41.7 | 174 | -77.5 | 171.4 | -176.1 | 173.2 | 0 | 112.1 | D155 L156 V157 A162 I163 | D155-K159 WeakPolarHBondContact O-CB 3.45Å; D155-K159 VanDerWaalsContact O-CG 3.25Å; D155-K159 WeakPolarHBondContact O-CG 3.41Å; D155-K159 PolarHBondContact O-N 3.3Å; L156-K159 PolarHBondContact O-N 2.87Å; V157-K159 PolarHBondContact O-N 2.83Å; K159-A162 PolarHBondContact O-N 2.84Å; K159-I163 WeakPolarHBondContact O-CG1 3.23Å; K159-I163 PolarHBondContact O-N 2.92Å; K159-I163 VanDerWaalsContact O-N 3.07Å |
| 160 | T | 31.3 | Very low | 31.6 | Very low | 4 Ų | 4 | 84.4 Ų | 84.4 | 3% | 0.025 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -70.4 | -43.8 | 178.9 | -45.5 | 0 | 0 | 0 | 0 | 110.5 | L92 Y95 L156 V157 I163 F164 | L92-T160 HydrophobicContact CD2-CG2 4.1Å; L92-T160 WeakPolarHBondContact CD2-OG1 3.41Å; Y95-T160 HydrophobicContact CD1-CG2 3.7Å; Y95-T160 HydrophobicContact CE1-CG2 3.76Å; L156-T160 WeakPolarHBondContact O-CB 3.45Å; L156-T160 PolarHBondContact O-N 3.47Å; L156-T160 PolarHBondContact O-OG1 3.39Å; V157-T160 PolarHBondContact O-N 2.82Å; T160-I163 WeakPolarHBondContact O-CB 3.47Å; T160-I163 PolarHBondContact O-N 2.92Å; T160-F164 HydrophobicContact CG2-CD2 4.03Å; T160-F164 HydrophobicContact CG2-CE2 3.97Å; T160-F164 WeakPolarHBondContact O-CD2 3.39Å; T160-F164 PolarHBondContact O-N 3.39Å |
| 161 | A | 31.2 | Very low | 30.9 | Very low | 18 Ų | 18 | 89.6 Ų | 89.6 | 15% | 0.149 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -54.6 | -53.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109 | V157 I163 F164 T165 | V157-A161 WeakPolarHBondContact O-CA 3.5Å; V157-A161 WeakPolarHBondContact O-CB 3.29Å; V157-A161 PolarHBondContact O-N 3.4Å; A161-I163 PolarHBondContact O-N 3.43Å; A161-I163 VanDerWaalsContact O-N 3.09Å; A161-F164 CarbonylContact O-C 3.51Å; A161-F164 WeakPolarHBondContact O-CA 3.44Å; A161-F164 PolarHBondContact O-N 3.29Å; A161-T165 HydrophobicContact CB-CG2 3.9Å; A161-T165 WeakPolarHBondContact O-CA 3.31Å; A161-T165 VanDerWaalsContact O-CB 3.28Å; A161-T165 WeakPolarHBondContact O-CB 3.37Å; A161-T165 WeakPolarHBondContact O-CG2 3.42Å; A161-T165 PolarHBondContact O-N 2.83Å; A161-T165 PolarHBondContact O-OG1 3.49Å |
| 162 | A | 30.9 | Very low | 30 | Very low | 70 Ų | 70 | 89.3 Ų | 89.3 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -55.6 | -32.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A158 K159 F164 T165 | A158-A162 WeakPolarHBondContact O-CB 3.43Å; A158-A162 PolarHBondContact O-N 3.37Å; K159-A162 PolarHBondContact O-N 2.84Å; A162-F164 VanDerWaalsContact C-N 3.31Å; A162-T165 WeakPolarHBondContact CA-OG1 3.32Å; A162-T165 PolarHBondContact N-OG1 3.41Å |
| 163 | I | 29.4 | Very low | 29.5 | Very low | 105 Ų | 105 | 93 Ų | 93 | 54% | 0.538 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.2 | -30.3 | 173.4 | -68.2 | 164.4 | 0 | 0 | 0 | 111.7 | K159 T160 A161 | K159-I163 WeakPolarHBondContact O-CG1 3.23Å; K159-I163 PolarHBondContact O-N 2.92Å; K159-I163 VanDerWaalsContact O-N 3.07Å; T160-I163 WeakPolarHBondContact O-CB 3.47Å; T160-I163 PolarHBondContact O-N 2.92Å; A161-I163 PolarHBondContact O-N 3.43Å; A161-I163 VanDerWaalsContact O-N 3.09Å |
| 164 | F | 30.4 | Very low | 29 | Very low | 48 Ų | 48 | 97.9 Ų | 97.9 | 21% | 0.211 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -113.2 | -10.7 | -174.9 | -65.8 | -68.8 | 0 | 0 | 0 | 115.4 | V64 Y67 M99 T160 A161 A162 L166 | V64-F164 HydrophobicContact CG2-CD1 4.07Å; V64-F164 HydrophobicContact CG2-CE1 3.63Å; V64-F164 HydrophobicContact CG2-CZ 4.04Å; Y67-F164 HydrophobicContact CD1-CE2 4.28Å; Y67-F164 HydrophobicContact CD1-CZ 4.19Å; Y67-F164 HydrophobicContact CE1-CE2 4.47Å; Y67-F164 HydrophobicContact CG-CZ 4.49Å; M99-F164 HydrophobicContact CE-CB 3.77Å; M99-F164 HydrophobicContact CE-CD1 4.08Å; M99-F164 HydrophobicContact CE-CD2 3.69Å; M99-F164 HydrophobicContact CE-CE2 4.3Å; M99-F164 HydrophobicContact CE-CG 3.59Å; M99-F164 HydrophobicContact SD-CD2 4.09Å; M99-F164 HydrophobicContact SD-CG 4.5Å; T160-F164 HydrophobicContact CG2-CD2 4.03Å; T160-F164 HydrophobicContact CG2-CE2 3.97Å; T160-F164 WeakPolarHBondContact O-CD2 3.39Å; T160-F164 PolarHBondContact O-N 3.39Å; A161-F164 CarbonylContact O-C 3.51Å; A161-F164 WeakPolarHBondContact O-CA 3.44Å; A161-F164 PolarHBondContact O-N 3.29Å; A162-F164 VanDerWaalsContact C-N 3.31Å; F164-L166 VanDerWaalsContact C-N 3.3Å; F164-L166 PolarHBondContact O-N 2.91Å |
| 165 | T | 25.5 | Very low | 28.5 | Very low | 92 Ų | 92 | 98.2 Ų | 98.2 | 56% | 0.564 | 51% | 0.514 | S | S | * | . | trans | -95.7 | 43.7 | -176.2 | 54.3 | 0 | 0 | 0 | 0 | 111.7 | A161 A162 N167 | A161-T165 HydrophobicContact CB-CG2 3.9Å; A161-T165 WeakPolarHBondContact O-CA 3.31Å; A161-T165 VanDerWaalsContact O-CB 3.28Å; A161-T165 WeakPolarHBondContact O-CB 3.37Å; A161-T165 WeakPolarHBondContact O-CG2 3.42Å; A161-T165 PolarHBondContact O-N 2.83Å; A161-T165 PolarHBondContact O-OG1 3.49Å; A162-T165 WeakPolarHBondContact CA-OG1 3.32Å; A162-T165 PolarHBondContact N-OG1 3.41Å; T165-N167 PolarHBondContact O-N 3.31Å | ||
| 166 | L | 23.9 | Very low | 27.9 | Very low | 119 Ų | 119 | 100.3 Ų | 100.3 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | trans | -69.8 | 82.2 | 145.6 | -77.2 | 165.7 | 0 | 0 | 0 | 107.4 | F164 | F164-L166 VanDerWaalsContact C-N 3.3Å; F164-L166 PolarHBondContact O-N 2.91Å | ||
| 167 | N | 24.9 | Very low | 27.5 | Very low | 120 Ų | 120 | 101.7 Ų | 101.7 | 64% | 0.642 | 54% | 0.54 | S | S | * | . | trans | 141.3 | 110.8 | 140.7 | -155.3 | -15.4 | 0 | 0 | 0 | 114.2 | T165 | T165-N167 PolarHBondContact O-N 3.31Š| ||
| 168 | P | 27.3 | Very low | 27 | Very low | 117 Ų | 117 | 105.7 Ų | 105.7 | 76% | 0.76 | 56% | 0.557 | S | S | * | * | trans | -91 | 94.1 | 174.2 | 33.5 | -27.9 | 0 | 0 | 0 | 110.9 | ||||
| 169 | R | 24.8 | Very low | 26.6 | Very low | 213 Ų | 213 | 110.8 Ų | 110.8 | 80% | 0.804 | 57% | 0.569 | S | S | * | * | trans | -175.1 | 82.8 | 166.9 | -103.9 | 162 | -165.5 | -159.1 | 6.9 | 111.1 | ||||
| 170 | F | 24.5 | Very low | 26 | Very low | 172 Ų | 172 | 106.5 Ų | 106.5 | 75% | 0.754 | 57% | 0.565 | S | S | * | * | trans | -113.1 | 105.9 | 159.5 | -94.1 | -82.7 | 0 | 0 | 0 | 107.4 | ||||
| 171 | K | 24.4 | Very low | 25.6 | Very low | 152 Ų | 152 | 114.1 Ų | 114.1 | 66% | 0.661 | 61% | 0.605 | S | S | * | * | trans | -90.9 | 138.7 | 179.4 | -74.7 | -174 | 174.8 | -173.1 | 0 | 109.9 | D173 E174 | K171-D173 PolarHBondContact O-N 2.84Å; K171-E174 PolarHBondContact O-N 3.18Å | ||
| 172 | T | 25.5 | Very low | 25.3 | Very low | 95 Ų | 95 | 119.1 Ų | 119.1 | 58% | 0.583 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | -18.8 | -177.3 | -31.6 | 0 | 0 | 0 | 0 | 115 | E174 L175 F176 | T172-E174 PolarHBondContact O-N 3.45Å; T172-L175 WeakPolarHBondContact O-CB 3.41Å; T172-L175 PolarHBondContact O-N 3.08Å; T172-F176 HydrophobicContact CG2-CE2 4.23Å; T172-F176 WeakPolarHBondContact O-CD2 3.26Å |
| 173 | D | 24.8 | Very low | 25.1 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.1 | -28.2 | -174.9 | -55.2 | -38.5 | 0 | 0 | 0 | 113.4 | K171 L175 F176 G177 | K171-D173 PolarHBondContact O-N 2.84Å; D173-L175 VanDerWaalsContact C-N 3.31Å; D173-L175 PolarHBondContact O-N 2.98Å; D173-F176 PolarHBondContact O-N 2.69Å; D173-G177 PolarHBondContact O-N 2.9Å |
| 174 | E | 24.1 | Very low | 24.7 | Very low | 132 Ų | 132 | 121.5 Ų | 121.5 | 62% | 0.617 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.8 | -25 | 176.5 | -70.5 | -177.4 | 161.9 | 0 | 0 | 112.5 | K171 T172 F176 | K171-E174 PolarHBondContact O-N 3.18Å; T172-E174 PolarHBondContact O-N 3.45Å; E174-F176 VanDerWaalsContact C-N 3.34Å |
| 175 | L | 23.7 | Very low | 24.5 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 57% | 0.565 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.3 | -36.2 | 173.2 | -100.5 | 152.5 | 0 | 0 | 0 | 111.1 | T172 D173 F179 | T172-L175 WeakPolarHBondContact O-CB 3.41Å; T172-L175 PolarHBondContact O-N 3.08Å; D173-L175 VanDerWaalsContact C-N 3.31Å; D173-L175 PolarHBondContact O-N 2.98Å; L175-F179 WeakPolarHBondContact O-CD2 3.49Å; L175-F179 WeakPolarHBondContact O-CE2 2.9Å |
| 176 | F | 23.7 | Very low | 24.4 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 65% | 0.654 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -75 | -27.5 | 178.7 | -75.4 | -70.6 | 0 | 0 | 0 | 113.5 | T172 D173 E174 M178 F179 | T172-F176 HydrophobicContact CG2-CE2 4.23Å; T172-F176 WeakPolarHBondContact O-CD2 3.26Å; D173-F176 PolarHBondContact O-N 2.69Å; E174-F176 VanDerWaalsContact C-N 3.34Å; F176-M178 VanDerWaalsContact C-N 3.28Å; F176-M178 PolarHBondContact O-N 2.82Å; F176-F179 PolarHBondContact O-N 3.16Å |
| 177 | G | 23.2 | Very low | 24.4 | Very low | 60 Ų | 60 | 135 Ų | 135 | 62% | 0.619 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -67.3 | -23.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D173 F179 | D173-G177 PolarHBondContact O-N 2.9Å; G177-F179 PolarHBondContact O-N 3.44Å |
| 178 | M | 24.5 | Very low | 24.5 | Very low | 128 Ų | 128 | 134 Ų | 134 | 63% | 0.631 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -12.9 | -178.8 | -67.3 | -172.1 | -158.2 | 0 | 0 | 114.2 | F176 | F176-M178 VanDerWaalsContact C-N 3.28Å; F176-M178 PolarHBondContact O-N 2.82Å |
| 179 | F | 26.7 | Very low | 24.5 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 72% | 0.719 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 1.6 | -175 | -61 | -73.5 | 0 | 0 | 0 | 114.1 | L175 F176 G177 | L175-F179 WeakPolarHBondContact O-CD2 3.49Å; L175-F179 WeakPolarHBondContact O-CE2 2.9Å; F176-F179 PolarHBondContact O-N 3.16Å; G177-F179 PolarHBondContact O-N 3.44Å |
| 180 | G | 22.1 | Very low | 24.6 | Very low | 51 Ų | 51 | 129.7 Ų | 129.7 | 53% | 0.526 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -91.4 | 115.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N182 | G180-N182 PolarHBondContact O-N 3.25Š|
| 181 | D | 22.5 | Very low | 25 | Very low | 164 Ų | 164 | 126.8 Ų | 126.8 | 88% | 0.877 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 47.8 | 53.7 | 148.6 | -59.9 | -24 | 0 | 0 | 0 | 119.9 | ||
| 182 | N | 24.1 | Very low | 25.5 | Very low | 123 Ų | 123 | 121.9 Ų | 121.9 | 66% | 0.658 | 65% | 0.648 | S | S | * | * | trans | -129.5 | 106.2 | 163.7 | -136.5 | -25.8 | 0 | 0 | 0 | 113.6 | G180 C184 | G180-N182 PolarHBondContact O-N 3.25Å; N182-C184 PolarHBondContact O-N 2.86Å | ||
| 183 | P | 26.2 | Very low | 26 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 78% | 0.779 | 64% | 0.643 | S | S | * | * | trans | -73.3 | 15.3 | -175 | 27.8 | -33.2 | 0 | 0 | 0 | 115.4 | Q185 | P183-Q185 PolarHBondContact O-N 3.34Å; P183-Q185 VanDerWaalsContact O-N 3.11Å | ||
| 184 | C | 22.7 | Very low | 26.4 | Very low | 106 Ų | 106 | 118.4 Ų | 118.4 | 72% | 0.716 | 63% | 0.633 | S | S | * | * | trans | -78.7 | 18.1 | -177.7 | -65.2 | 0 | 0 | 0 | 0 | 115.6 | N182 R186 | N182-C184 PolarHBondContact O-N 2.86Å; C184-R186 VanDerWaalsContact C-N 3.34Å; C184-R186 PolarHBondContact O-N 3.37Å | ||
| 185 | Q | 25.4 | Very low | 26.8 | Very low | 127 Ų | 127 | 113.2 Ų | 113.2 | 59% | 0.593 | 61% | 0.608 | S | S | * | * | trans | -88 | 34.4 | -179 | -73.8 | 178.8 | -15.2 | 0 | 0 | 115.1 | P183 F221 | P183-Q185 PolarHBondContact O-N 3.34Å; P183-Q185 VanDerWaalsContact O-N 3.11Å; Q185-F221 HydrophobicContact CB-CD1 4.25Å; Q185-F221 HydrophobicContact CG-CD1 4.1Å; Q185-F221 HydrophobicContact CG-CE1 4.18Å | ||
| 186 | R | 24 | Very low | 27.4 | Very low | 228 Ų | 228 | 112.3 Ų | 112.3 | 86% | 0.86 | 60% | 0.597 | S | S | * | * | trans | -127.4 | 127.1 | 174.9 | -65 | -174.6 | -175.9 | -175.8 | 1 | 110.1 | C184 | C184-R186 VanDerWaalsContact C-N 3.34Å; C184-R186 PolarHBondContact O-N 3.37Å | ||
| 187 | K | 23.8 | Very low | 28.1 | Very low | 186 Ų | 186 | 108.9 Ų | 108.9 | 81% | 0.809 | 59% | 0.591 | S | S | * | * | trans | 95.2 | 75 | 175.1 | -54.1 | -179 | 177.8 | -172.3 | 0 | 115.5 | ||||
| 188 | V | 26.2 | Very low | 28.6 | Very low | 100 Ų | 100 | 107.9 Ų | 107.9 | 61% | 0.606 | 58% | 0.578 | S | S | * | * | trans | -108.8 | 99.1 | 145.7 | -178.3 | 0 | 0 | 0 | 0 | 105.7 | L190 | V188-L190 VanDerWaalsContact C-N 3.29Å; V188-L190 HydrophobicContact CG1-CD1 4.41Å; V188-L190 HydrophobicContact CG1-CG 4.24Å; V188-L190 PolarHBondContact O-N 2.92Å | ||
| 189 | D | 27.6 | Very low | 29.2 | Very low | 155 Ų | 155 | 102.3 Ų | 102.3 | 83% | 0.829 | 55% | 0.55 | S | S | * | * | trans | -73.6 | 82.4 | 177.9 | -75.3 | -28.4 | 0 | 0 | 0 | 109.3 | ||||
| 190 | L | 27.6 | Very low | 29.7 | Very low | 85 Ų | 85 | 99.6 Ų | 99.6 | 45% | 0.445 | 54% | 0.535 | S | S | . | . | trans | -83.2 | 122 | 164.6 | -81.9 | 162.2 | 0 | 0 | 0 | 108.9 | V188 | V188-L190 VanDerWaalsContact C-N 3.29Å; V188-L190 HydrophobicContact CG1-CD1 4.41Å; V188-L190 HydrophobicContact CG1-CG 4.24Å; V188-L190 PolarHBondContact O-N 2.92Å | ||
| 191 | D | 32.7 | Very low | 30.2 | Very low | 111 Ų | 111 | 99.9 Ų | 99.9 | 59% | 0.594 | 52% | 0.521 | S | S | * | . | trans | -49.3 | 134.3 | 171.1 | -177.5 | 6 | 0 | 0 | 0 | 111.3 | D193 A194 Y195 | D191-D193 VanDerWaalsContact C-N 3.26Å; D191-D193 PolarHBondContact O-N 3.39Å; D191-D193 PolarHBondContact OD1-N 2.89Å; D191-A194 HydrophobicContact CB-CB 4.42Å; D191-A194 PolarHBondContact O-N 3.42Å; D191-Y195 PolarHBondContact O-N 2.93Å | ||
| 192 | V | 34.6 | Very low | 30.7 | Very low | 49 Ų | 49 | 93.5 Ų | 93.5 | 30% | 0.297 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.1 | -34.9 | -172.8 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | Y195 R196 I230 | V192-Y195 WeakPolarHBondContact O-CB 3.46Å; V192-Y195 PolarHBondContact O-N 3.23Å; V192-R196 WeakPolarHBondContact O-CB 3.29Å; V192-R196 WeakPolarHBondContact O-CG 3.29Å; V192-R196 PolarHBondContact O-N 3.46Å; V192-I230 HydrophobicContact CG1-CD1 3.57Å |
| 193 | D | 36.5 | Very low | 31.1 | Very low | 90 Ų | 90 | 90.8 Ų | 90.8 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -77.9 | -31.9 | -178.6 | -74.3 | -28.6 | 0 | 0 | 0 | 112.7 | D191 R196 S197 | D191-D193 VanDerWaalsContact C-N 3.26Å; D191-D193 PolarHBondContact O-N 3.39Å; D191-D193 PolarHBondContact OD1-N 2.89Å; D193-R196 IonicContact OD1-CZ 3.86Å; D193-R196 IonicContact OD1-NH1 3.2Å; D193-R196 PolarHBondContact OD1-NH1 2.87Å; D193-S197 WeakPolarHBondContact O-CB 3.34Å; D193-S197 PolarHBondContact O-N 3.38Å; D193-S197 PolarHBondContact O-OG 3.14Å |
| 194 | A | 31.9 | Very low | 31.6 | Very low | 51 Ų | 51 | 94.1 Ų | 94.1 | 42% | 0.421 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66 | -40.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111 | D191 S197 A198 | D191-A194 HydrophobicContact CB-CB 4.42Å; D191-A194 PolarHBondContact O-N 3.42Å; A194-S197 PolarHBondContact O-N 3.28Å; A194-A198 WeakPolarHBondContact O-CB 3.46Å; A194-A198 PolarHBondContact O-N 3.35Å |
| 195 | Y | 33.3 | Very low | 32 | Very low | 23 Ų | 23 | 93.4 Ų | 93.4 | 9% | 0.09 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 174.9 | -173.7 | -92.2 | 0 | 0 | 0 | 112.3 | D191 V192 S197 A198 I199 I218 K227 | D191-Y195 PolarHBondContact O-N 2.93Å; V192-Y195 WeakPolarHBondContact O-CB 3.46Å; V192-Y195 PolarHBondContact O-N 3.23Å; Y195-S197 PolarHBondContact O-N 3.41Å; Y195-A198 PolarHBondContact O-N 2.88Å; Y195-I199 HydrophobicContact CD1-CD1 3.83Å; Y195-I199 HydrophobicContact CE1-CD1 3.25Å; Y195-I199 HydrophobicContact CE1-CG1 4.44Å; Y195-I199 HydrophobicContact CE2-CD1 4.26Å; Y195-I199 PolarHBondContact O-N 3.26Å; Y195-I199 VanDerWaalsContact O-N 3.09Å; Y195-I218 HydrophobicContact CD2-CG2 3.97Å; Y195-I218 HydrophobicContact CE2-CG2 3.31Å; Y195-K227 HydrophobicContact CD1-CD 4.27Å; Y195-K227 HydrophobicContact CD2-CD 4.33Å; Y195-K227 HydrophobicContact CE1-CB 4.15Å; Y195-K227 HydrophobicContact CE1-CD 4.11Å; Y195-K227 HydrophobicContact CE1-CG 4.39Å; Y195-K227 HydrophobicContact CE2-CD 4.15Å; Y195-K227 HydrophobicContact CG-CD 4.39Å |
| 196 | R | 36.1 | Very low | 32.3 | Very low | 88 Ų | 88 | 89.4 Ų | 89.4 | 33% | 0.332 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 174.9 | -79.8 | 173.6 | 177 | 166.3 | -3.1 | 112 | V192 D193 R200 I230 | V192-R196 WeakPolarHBondContact O-CB 3.29Å; V192-R196 WeakPolarHBondContact O-CG 3.29Å; V192-R196 PolarHBondContact O-N 3.46Å; D193-R196 IonicContact OD1-CZ 3.86Å; D193-R196 IonicContact OD1-NH1 3.2Å; D193-R196 PolarHBondContact OD1-NH1 2.87Å; R196-R200 WeakPolarHBondContact O-CB 3.22Å; R196-R200 WeakPolarHBondContact O-CG 3.26Å; R196-R200 PolarHBondContact O-N 2.94Å; R196-I230 HydrophobicContact CG-CG2 3.97Å |
| 197 | S | 38 | Very low | 32.8 | Very low | 77 Ų | 77 | 84.5 Ų | 84.5 | 54% | 0.538 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | -178.1 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | D193 A194 Y195 Y201 | D193-S197 WeakPolarHBondContact O-CB 3.34Å; D193-S197 PolarHBondContact O-N 3.38Å; D193-S197 PolarHBondContact O-OG 3.14Å; A194-S197 PolarHBondContact O-N 3.28Å; Y195-S197 PolarHBondContact O-N 3.41Å; S197-Y201 WeakPolarHBondContact O-CB 3.49Å; S197-Y201 PolarHBondContact O-N 2.55Å |
| 198 | A | 34.7 | Very low | 33.4 | Very low | 40 Ų | 40 | 78 Ų | 78 | 33% | 0.331 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A194 Y195 Y201 L202 | A194-A198 WeakPolarHBondContact O-CB 3.46Å; A194-A198 PolarHBondContact O-N 3.35Å; Y195-A198 PolarHBondContact O-N 2.88Å; A198-Y201 PolarHBondContact O-N 3.41Å; A198-L202 WeakPolarHBondContact O-CB 3.45Å; A198-L202 WeakPolarHBondContact O-CD1 3.5Å; A198-L202 WeakPolarHBondContact O-CG 3.38Å; A198-L202 PolarHBondContact O-N 3.46Å |
| 199 | I | 36.4 | Very low | 33.6 | Very low | 11 Ų | 11 | 77.2 Ų | 77.2 | 6% | 0.056 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.1 | -49.5 | 179.2 | -68.9 | -179.4 | 0 | 0 | 0 | 111.4 | Y195 Y201 L202 I203 L215 | Y195-I199 HydrophobicContact CD1-CD1 3.83Å; Y195-I199 HydrophobicContact CE1-CD1 3.25Å; Y195-I199 HydrophobicContact CE1-CG1 4.44Å; Y195-I199 HydrophobicContact CE2-CD1 4.26Å; Y195-I199 PolarHBondContact O-N 3.26Å; Y195-I199 VanDerWaalsContact O-N 3.09Å; I199-Y201 PolarHBondContact O-N 3.02Å; I199-L202 PolarHBondContact O-N 2.92Å; I199-I203 HydrophobicContact CG2-CD1 3.57Å; I199-I203 HydrophobicContact CG2-CG1 4.31Å; I199-I203 WeakPolarHBondContact O-CB 3.35Å; I199-I203 WeakPolarHBondContact O-CG1 3.14Å; I199-I203 PolarHBondContact O-N 3.18Å; I199-L215 HydrophobicContact CG1-CD1 4.4Å |
| 200 | R | 36.7 | Very low | 33.8 | Very low | 106 Ų | 106 | 73.8 Ų | 73.8 | 40% | 0.4 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.6 | -38.9 | 177.3 | -78 | 179.9 | -173.8 | 171.2 | 3.6 | 111.4 | R196 R204 D234 H235 | R196-R200 WeakPolarHBondContact O-CB 3.22Å; R196-R200 WeakPolarHBondContact O-CG 3.26Å; R196-R200 PolarHBondContact O-N 2.94Å; R200-R204 VanDerWaalsContact O-CB 3.3Å; R200-R204 WeakPolarHBondContact O-CB 3.48Å; R200-R204 WeakPolarHBondContact O-CG 3.22Å; R200-R204 PolarHBondContact O-N 3.32Å; R200-R204 VanDerWaalsContact O-N 3.14Å; R200-D234 IonicContact CZ-OD2 3.4Å; R200-D234 IonicContact NE-OD2 2.95Å; R200-D234 IonicContact NH2-OD2 3.6Å; R200-D234 PolarHBondContact NH2-OD2 3.24Å; R200-H235 WeakPolarHBondContact CG-NE2 3.44Å |
| 201 | Y | 32.7 | Very low | 33.9 | Very low | 58 Ų | 58 | 70 Ų | 70 | 23% | 0.227 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.8 | -47.5 | 179.4 | -174.8 | -104.8 | 0 | 0 | 0 | 112.4 | L136 S197 A198 I199 R204 H205 | L136-Y201 HydrophobicContact CD2-CD2 4.15Å; L136-Y201 HydrophobicContact CD2-CE2 3.14Å; L136-Y201 VanDerWaalsContact CD2-CZ 3.46Å; L136-Y201 VanDerWaalsContact CD2-OH 3.24Å; L136-Y201 WeakPolarHBondContact CD2-OH 3.41Å; L136-Y201 HydrophobicContact CG-CE2 3.89Å; L136-Y201 VanDerWaalsContact CG-OH 3.22Å; L136-Y201 WeakPolarHBondContact CG-OH 3.38Å; S197-Y201 WeakPolarHBondContact O-CB 3.49Å; S197-Y201 PolarHBondContact O-N 2.55Å; A198-Y201 PolarHBondContact O-N 3.41Å; I199-Y201 PolarHBondContact O-N 3.02Å; Y201-R204 PolarHBondContact O-N 3.24Å; Y201-H205 HydrophobicContact CD2-CB 4.49Å; Y201-H205 AromaticContact CD2-CD2 3.51Å; Y201-H205 HydrophobicContact CE2-CB 4.01Å; Y201-H205 AromaticContact CE2-CD2 3.5Å; Y201-H205 AromaticContact CE2-CG 3.94Å; Y201-H205 WeakPolarHBondContact O-CB 2.98Å; Y201-H205 PolarHBondContact O-N 3.43Å |
| 202 | L | 33.4 | Very low | 34 | Very low | 30 Ų | 30 | 67.7 Ų | 67.7 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 179.4 | -72.3 | 165.7 | 0 | 0 | 0 | 111.6 | A198 I199 D206 A211 L215 | A198-L202 WeakPolarHBondContact O-CB 3.45Å; A198-L202 WeakPolarHBondContact O-CD1 3.5Å; A198-L202 WeakPolarHBondContact O-CG 3.38Å; A198-L202 PolarHBondContact O-N 3.46Å; I199-L202 PolarHBondContact O-N 2.92Å; L202-D206 PolarHBondContact O-N 3.39Å; L202-A211 HydrophobicContact CD2-CB 3.89Å; L202-L215 HydrophobicContact CB-CD1 4.28Å; L202-L215 HydrophobicContact CD1-CD1 4.11Å |
| 203 | I | 33.9 | Very low | 33.9 | Very low | 66 Ų | 66 | 71.5 Ų | 71.5 | 34% | 0.338 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 178.6 | -66.5 | 174.2 | 0 | 0 | 0 | 111.5 | I199 A238 | I199-I203 HydrophobicContact CG2-CD1 3.57Å; I199-I203 HydrophobicContact CG2-CG1 4.31Å; I199-I203 WeakPolarHBondContact O-CB 3.35Å; I199-I203 WeakPolarHBondContact O-CG1 3.14Å; I199-I203 PolarHBondContact O-N 3.18Å; I203-A238 HydrophobicContact CG2-CB 4.03Å |
| 204 | R | 34.7 | Very low | 33.8 | Very low | 190 Ų | 190 | 70.5 Ų | 70.5 | 72% | 0.717 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -80.3 | -24.8 | -177.3 | -81.2 | -174.8 | 168.2 | 174 | -1.4 | 114.6 | R200 Y201 | R200-R204 VanDerWaalsContact O-CB 3.3Å; R200-R204 WeakPolarHBondContact O-CB 3.48Å; R200-R204 WeakPolarHBondContact O-CG 3.22Å; R200-R204 PolarHBondContact O-N 3.32Å; R200-R204 VanDerWaalsContact O-N 3.14Å; Y201-R204 PolarHBondContact O-N 3.24Å |
| 205 | H | 31 | Very low | 34 | Very low | 91 Ų | 91 | 69.8 Ų | 69.8 | 42% | 0.421 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -130.5 | -12 | -163 | -62.8 | -60.2 | 0 | 0 | 0 | 116.5 | K141 Y201 | K141-H205 PolarHBondContact NZ-O 3.24Å; Y201-H205 HydrophobicContact CD2-CB 4.49Å; Y201-H205 AromaticContact CD2-CD2 3.51Å; Y201-H205 HydrophobicContact CE2-CB 4.01Å; Y201-H205 AromaticContact CE2-CD2 3.5Å; Y201-H205 AromaticContact CE2-CG 3.94Å; Y201-H205 WeakPolarHBondContact O-CB 2.98Å; Y201-H205 PolarHBondContact O-N 3.43Å |
| 206 | D | 33 | Very low | 34 | Very low | 43 Ų | 43 | 70.3 Ų | 70.3 | 23% | 0.23 | 36% | 0.355 | C | S | . | . | trans | -146 | 93.3 | -174.3 | -160.5 | -6.5 | 0 | 0 | 0 | 113.2 | L202 T208 A211 | L202-D206 PolarHBondContact O-N 3.39Å; D206-T208 PolarHBondContact O-N 3.47Å; D206-T208 WeakPolarHBondContact OD1-CB 3.37Å; D206-T208 WeakPolarHBondContact OD1-CG2 3.36Å; D206-T208 PolarHBondContact OD1-N 3.37Å; D206-T208 PolarHBondContact OD1-OG1 3Å; D206-A211 HydrophobicContact CB-CB 4.03Å; D206-A211 WeakPolarHBondContact O-CB 3.21Å | ||
| 207 | T | 35.2 | Very low | 33.7 | Very low | 125 Ų | 125 | 72.8 Ų | 72.8 | 77% | 0.767 | 36% | 0.364 | S | S | * | . | trans | -84.9 | 12.7 | 176.3 | 55 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 208 | T | 34.5 | Very low | 33.4 | Very low | 50 Ų | 50 | 70.9 Ų | 70.9 | 31% | 0.307 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -72.4 | 147.3 | -177.7 | 57.2 | 0 | 0 | 0 | 0 | 112.1 | D206 V210 A211 L212 | D206-T208 PolarHBondContact O-N 3.47Å; D206-T208 WeakPolarHBondContact OD1-CB 3.37Å; D206-T208 WeakPolarHBondContact OD1-CG2 3.36Å; D206-T208 PolarHBondContact OD1-N 3.37Å; D206-T208 PolarHBondContact OD1-OG1 3Å; T208-V210 PolarHBondContact O-N 2.89Å; T208-A211 PolarHBondContact O-N 3.24Å; T208-L212 PolarHBondContact O-N 3.19Å |
| 209 | P | 30.7 | Very low | 33.4 | Very low | 82 Ų | 82 | 72.5 Ų | 72.5 | 53% | 0.532 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -54.5 | -24.1 | -179 | -28.1 | 34.6 | 0 | 0 | 0 | 114.8 | K213 V259 | P209-K213 WeakPolarHBondContact O-CB 3.44Å; P209-K213 VanDerWaalsContact O-CG 3.3Å; P209-K213 WeakPolarHBondContact O-CG 3.37Å; P209-K213 PolarHBondContact O-N 3.33Å; P209-V259 HydrophobicContact CB-CG2 3.79Å |
| 210 | V | 31.9 | Very low | 33.2 | Very low | 84 Ų | 84 | 76.4 Ų | 76.4 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -77.6 | -42.3 | 178 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | T208 L212 K213 R214 | T208-V210 PolarHBondContact O-N 2.89Å; V210-L212 VanDerWaalsContact C-N 3.28Å; V210-L212 PolarHBondContact O-N 3.37Å; V210-K213 PolarHBondContact O-N 2.87Å; V210-R214 WeakPolarHBondContact O-CG 3.4Å; V210-R214 PolarHBondContact O-N 3.04Å |
| 211 | A | 30 | Very low | 32.8 | Very low | 6 Ų | 6 | 75 Ų | 75 | 5% | 0.05 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L202 D206 T208 R214 L215 | L202-A211 HydrophobicContact CD2-CB 3.89Å; D206-A211 HydrophobicContact CB-CB 4.03Å; D206-A211 WeakPolarHBondContact O-CB 3.21Å; T208-A211 PolarHBondContact O-N 3.24Å; A211-R214 WeakPolarHBondContact O-CB 3.4Å; A211-R214 PolarHBondContact O-N 3.04Å; A211-L215 PolarHBondContact O-N 3.14Å |
| 212 | L | 34.1 | Very low | 32.7 | Very low | 61 Ų | 61 | 73 Ų | 73 | 32% | 0.319 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.2 | -39.9 | 176.2 | -78.2 | 155.2 | 0 | 0 | 0 | 112.9 | T208 V210 R214 L215 V216 V259 | T208-L212 PolarHBondContact O-N 3.19Å; V210-L212 VanDerWaalsContact C-N 3.28Å; V210-L212 PolarHBondContact O-N 3.37Å; L212-R214 PolarHBondContact O-N 2.88Å; L212-L215 WeakPolarHBondContact O-CB 3.49Å; L212-L215 PolarHBondContact O-N 3.33Å; L212-L215 VanDerWaalsContact O-N 3.13Å; L212-V216 WeakPolarHBondContact O-CG2 3.5Å; L212-V216 PolarHBondContact O-N 3.05Å; L212-V259 HydrophobicContact CB-CB 3.81Å; L212-V259 HydrophobicContact CB-CG1 3.53Å; L212-V259 HydrophobicContact CB-CG2 3.95Å; L212-V259 HydrophobicContact CD1-CB 4.35Å |
| 213 | K | 33.1 | Very low | 32.6 | Very low | 129 Ų | 129 | 79.5 Ų | 79.5 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.5 | -36.4 | 170.5 | -80.4 | 177.1 | -178.1 | -178.8 | 0 | 111.8 | P209 V210 W217 | P209-K213 WeakPolarHBondContact O-CB 3.44Å; P209-K213 VanDerWaalsContact O-CG 3.3Å; P209-K213 WeakPolarHBondContact O-CG 3.37Å; P209-K213 PolarHBondContact O-N 3.33Å; V210-K213 PolarHBondContact O-N 2.87Å; K213-W217 PolarHBondContact O-N 3.23Å |
| 214 | R | 33.7 | Very low | 32.5 | Very low | 70 Ų | 70 | 80 Ų | 80 | 26% | 0.264 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.2 | -37.3 | 174.5 | -70.6 | 175.2 | -175.8 | 174.7 | 3.8 | 112.6 | V210 A211 L212 W217 I218 | V210-R214 WeakPolarHBondContact O-CG 3.4Å; V210-R214 PolarHBondContact O-N 3.04Å; A211-R214 WeakPolarHBondContact O-CB 3.4Å; A211-R214 PolarHBondContact O-N 3.04Å; L212-R214 PolarHBondContact O-N 2.88Å; R214-W217 WeakPolarHBondContact O-CB 3.33Å; R214-W217 PolarHBondContact O-N 3.13Å; R214-I218 VanDerWaalsContact O-CG1 3.28Å; R214-I218 WeakPolarHBondContact O-CG1 3.27Å; R214-I218 PolarHBondContact O-N 3.31Å |
| 215 | L | 36 | Very low | 32.1 | Very low | 35 Ų | 35 | 74.3 Ų | 74.3 | 18% | 0.183 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 174.1 | -156.5 | 88.9 | 0 | 0 | 0 | 110.8 | I199 L202 A211 L212 W217 I218 L219 | I199-L215 HydrophobicContact CG1-CD1 4.4Å; L202-L215 HydrophobicContact CB-CD1 4.28Å; L202-L215 HydrophobicContact CD1-CD1 4.11Å; A211-L215 PolarHBondContact O-N 3.14Å; L212-L215 WeakPolarHBondContact O-CB 3.49Å; L212-L215 PolarHBondContact O-N 3.33Å; L212-L215 VanDerWaalsContact O-N 3.13Å; L215-W217 VanDerWaalsContact C-N 3.29Å; L215-W217 PolarHBondContact O-N 3.13Å; L215-I218 PolarHBondContact O-N 2.86Å; L215-L219 HydrophobicContact CD2-CD1 4.27Å; L215-L219 HydrophobicContact CG-CD1 4.26Å; L215-L219 WeakPolarHBondContact O-CB 3.2Å; L215-L219 WeakPolarHBondContact O-CD1 3.45Å; L215-L219 WeakPolarHBondContact O-CG 3.26Å; L215-L219 PolarHBondContact O-N 2.92Å |
| 216 | V | 33.8 | Very low | 32.1 | Very low | 35 Ų | 35 | 71.8 Ų | 71.8 | 21% | 0.212 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 174.6 | 174 | 0 | 0 | 0 | 0 | 111.1 | L212 L219 L220 V259 | L212-V216 WeakPolarHBondContact O-CG2 3.5Å; L212-V216 PolarHBondContact O-N 3.05Å; V216-L219 PolarHBondContact O-N 3.32Å; V216-L220 HydrophobicContact CG1-CD1 3.69Å; V216-L220 HydrophobicContact CG1-CG 4.3Å; V216-L220 WeakPolarHBondContact O-CB 3Å; V216-L220 VanDerWaalsContact O-CG 3.27Å; V216-L220 WeakPolarHBondContact O-CG 3.41Å; V216-L220 PolarHBondContact O-N 2.97Å; V216-V259 HydrophobicContact CG2-CG1 4.46Å |
| 217 | W | 29.9 | Very low | 32.1 | Very low | 140 Ų | 140 | 70.6 Ų | 70.6 | 53% | 0.53 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 177.1 | -160.7 | 85.2 | 0 | 0 | 0 | 113 | K213 R214 L215 F221 | K213-W217 PolarHBondContact O-N 3.23Å; R214-W217 WeakPolarHBondContact O-CB 3.33Å; R214-W217 PolarHBondContact O-N 3.13Å; L215-W217 VanDerWaalsContact C-N 3.29Å; L215-W217 PolarHBondContact O-N 3.13Å; W217-F221 HydrophobicContact CD2-CD2 4.5Å; W217-F221 PolarHBondContact O-N 2.93Å |
| 218 | I | 32.4 | Very low | 32 | Very low | 36 Ų | 36 | 67.2 Ų | 67.2 | 19% | 0.185 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 177.1 | -70.3 | 166.9 | 0 | 0 | 0 | 110.8 | Y195 R214 L215 S222 | Y195-I218 HydrophobicContact CD2-CG2 3.97Å; Y195-I218 HydrophobicContact CE2-CG2 3.31Å; R214-I218 VanDerWaalsContact O-CG1 3.28Å; R214-I218 WeakPolarHBondContact O-CG1 3.27Å; R214-I218 PolarHBondContact O-N 3.31Å; L215-I218 PolarHBondContact O-N 2.86Å; I218-S222 PolarHBondContact O-N 2.98Å; I218-S222 PolarHBondContact O-OG 3.38Å |
| 219 | L | 34.5 | Very low | 31.7 | Very low | 75 Ų | 75 | 70 Ų | 70 | 39% | 0.393 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.1 | -37.8 | 179 | -70.6 | 167.6 | 0 | 0 | 0 | 112.6 | L215 V216 M231 | L215-L219 HydrophobicContact CD2-CD1 4.27Å; L215-L219 HydrophobicContact CG-CD1 4.26Å; L215-L219 WeakPolarHBondContact O-CB 3.2Å; L215-L219 WeakPolarHBondContact O-CD1 3.45Å; L215-L219 WeakPolarHBondContact O-CG 3.26Å; L215-L219 PolarHBondContact O-N 2.92Å; V216-L219 PolarHBondContact O-N 3.32Å; L219-M231 HydrophobicContact CD2-SD 4.17Å |
| 220 | L | 32.6 | Very low | 31.6 | Very low | 93 Ų | 93 | 68 Ų | 68 | 49% | 0.487 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -74.5 | -32.3 | -175.5 | -76.8 | 169.6 | 0 | 0 | 0 | 114.4 | V216 | V216-L220 HydrophobicContact CG1-CD1 3.69Å; V216-L220 HydrophobicContact CG1-CG 4.3Å; V216-L220 WeakPolarHBondContact O-CB 3Å; V216-L220 VanDerWaalsContact O-CG 3.27Å; V216-L220 WeakPolarHBondContact O-CG 3.41Å; V216-L220 PolarHBondContact O-N 2.97Å |
| 221 | F | 27.9 | Very low | 31.6 | Very low | 76 Ų | 76 | 68 Ų | 68 | 33% | 0.333 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -118.3 | 2 | -168.2 | -63.7 | -61.3 | 0 | 0 | 0 | 116.1 | Q185 W217 | Q185-F221 HydrophobicContact CB-CD1 4.25Å; Q185-F221 HydrophobicContact CG-CD1 4.1Å; Q185-F221 HydrophobicContact CG-CE1 4.18Å; W217-F221 HydrophobicContact CD2-CD2 4.5Å; W217-F221 PolarHBondContact O-N 2.93Å |
| 222 | S | 29.6 | Very low | 31.7 | Very low | 17 Ų | 17 | 73.2 Ų | 73.2 | 12% | 0.119 | 35% | 0.353 | C | S | . | . | trans | -125.1 | 31.3 | 176.8 | 72 | 0 | 0 | 0 | 0 | 113.6 | I218 D224 | I218-S222 PolarHBondContact O-N 2.98Å; I218-S222 PolarHBondContact O-OG 3.38Å; S222-D224 PolarHBondContact O-N 3.27Å; S222-D224 VanDerWaalsContact O-N 3.11Å | ||
| 223 | W | 32.1 | Very low | 31.7 | Very low | 166 Ų | 166 | 76.5 Ų | 76.5 | 63% | 0.629 | 37% | 0.371 | S | S | * | . | trans | -60.6 | 112.2 | -178.9 | -169.6 | 83.7 | 0 | 0 | 0 | 111 | ||||
| 224 | D | 31.7 | Very low | 31.7 | Very low | 76 Ų | 76 | 74 Ų | 74 | 41% | 0.406 | 36% | 0.364 | S | S | . | . | trans | -132 | 124.5 | 170.7 | 177.4 | -15 | 0 | 0 | 0 | 106.6 | S222 G226 K227 E228 | S222-D224 PolarHBondContact O-N 3.27Å; S222-D224 VanDerWaalsContact O-N 3.11Å; D224-G226 PolarHBondContact O-N 2.82Å; D224-G226 VanDerWaalsContact O-N 3.09Å; D224-G226 PolarHBondContact OD1-N 3.15Å; D224-K227 HydrophobicContact CB-CD 3.99Å; D224-K227 HydrophobicContact CB-CG 4.04Å; D224-K227 WeakPolarHBondContact O-CB 3.32Å; D224-K227 PolarHBondContact O-N 3.39Å; D224-E228 PolarHBondContact O-N 3.38Å | ||
| 225 | P | 27.6 | Very low | 31.8 | Very low | 71 Ų | 71 | 73.5 Ų | 73.5 | 46% | 0.461 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.3 | -24.6 | 178 | 20 | -31.2 | 0 | 0 | 0 | 113.9 | K227 E228 L229 | P225-K227 VanDerWaalsContact C-N 3.32Å; P225-K227 PolarHBondContact O-N 3.11Å; P225-E228 PolarHBondContact O-N 3.24Å; P225-L229 PolarHBondContact O-N 2.95Å |
| 226 | G | 29.1 | Very low | 31.8 | Very low | 37 Ų | 37 | 77.8 Ų | 77.8 | 38% | 0.381 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.7 | -31.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D224 I230 | D224-G226 PolarHBondContact O-N 2.82Å; D224-G226 VanDerWaalsContact O-N 3.09Å; D224-G226 PolarHBondContact OD1-N 3.15Å; G226-I230 WeakPolarHBondContact O-CD1 3.46Å; G226-I230 WeakPolarHBondContact O-CG1 3.29Å |
| 227 | K | 33.9 | Very low | 31.6 | Very low | 18 Ų | 18 | 81.8 Ų | 81.8 | 8% | 0.078 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -76.8 | -29.5 | 178.4 | -62.7 | 177 | -174.2 | 175.4 | 0 | 112.1 | Y195 D224 P225 I230 M231 | Y195-K227 HydrophobicContact CD1-CD 4.27Å; Y195-K227 HydrophobicContact CD2-CD 4.33Å; Y195-K227 HydrophobicContact CE1-CB 4.15Å; Y195-K227 HydrophobicContact CE1-CD 4.11Å; Y195-K227 HydrophobicContact CE1-CG 4.39Å; Y195-K227 HydrophobicContact CE2-CD 4.15Å; Y195-K227 HydrophobicContact CG-CD 4.39Å; D224-K227 HydrophobicContact CB-CD 3.99Å; D224-K227 HydrophobicContact CB-CG 4.04Å; D224-K227 WeakPolarHBondContact O-CB 3.32Å; D224-K227 PolarHBondContact O-N 3.39Å; P225-K227 VanDerWaalsContact C-N 3.32Å; P225-K227 PolarHBondContact O-N 3.11Å; K227-I230 PolarHBondContact O-N 3.41Å; K227-M231 PolarHBondContact O-N 3.07Å |
| 228 | E | 33.4 | Very low | 31.5 | Very low | 54 Ų | 54 | 77.6 Ų | 77.6 | 25% | 0.252 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 174.6 | -167.8 | -171 | 152.3 | 0 | 0 | 111.7 | D224 P225 I230 M231 R232 | D224-E228 PolarHBondContact O-N 3.38Å; P225-E228 PolarHBondContact O-N 3.24Å; E228-I230 PolarHBondContact O-N 2.97Å; E228-M231 PolarHBondContact O-N 3.47Å; E228-R232 WeakPolarHBondContact O-CG 3.41Å; E228-R232 PolarHBondContact O-N 3.5Å; E228-R232 IonicContact OE1-CZ 2.82Å; E228-R232 IonicContact OE1-NE 3.29Å; E228-R232 IonicContact OE1-NH2 2.71Å; E228-R232 PolarHBondContact OE1-NH2 3.01Å |
| 229 | L | 28.6 | Very low | 31.4 | Very low | 109 Ų | 109 | 80.3 Ų | 80.3 | 57% | 0.571 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.4 | -30.4 | 176.9 | -114.7 | 140.6 | 0 | 0 | 0 | 112.8 | P225 | P225-L229 PolarHBondContact O-N 2.95Å |
| 230 | I | 27.7 | Very low | 31.1 | Very low | 41 Ų | 41 | 80.5 Ų | 80.5 | 21% | 0.21 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -77.5 | -39.7 | 179.8 | -66 | 168.7 | 0 | 0 | 0 | 111.1 | V192 R196 G226 K227 E228 R232 N233 | V192-I230 HydrophobicContact CG1-CD1 3.57Å; R196-I230 HydrophobicContact CG-CG2 3.97Å; G226-I230 WeakPolarHBondContact O-CD1 3.46Å; G226-I230 WeakPolarHBondContact O-CG1 3.29Å; K227-I230 PolarHBondContact O-N 3.41Å; E228-I230 PolarHBondContact O-N 2.97Å; I230-R232 VanDerWaalsContact C-N 3.28Å; I230-R232 PolarHBondContact O-N 3.17Å; I230-N233 PolarHBondContact O-N 3.05Å |
| 231 | M | 32.5 | Very low | 30.9 | Very low | 84 Ų | 84 | 84 Ų | 84 | 41% | 0.414 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.7 | -30.5 | 174.8 | -84.2 | -167.3 | 59.3 | 0 | 0 | 113.1 | L219 K227 E228 N233 | L219-M231 HydrophobicContact CD2-SD 4.17Å; K227-M231 PolarHBondContact O-N 3.07Å; E228-M231 PolarHBondContact O-N 3.47Å; M231-N233 PolarHBondContact O-N 3.48Å |
| 232 | R | 32.8 | Very low | 30.8 | Very low | 115 Ų | 115 | 83.5 Ų | 83.5 | 43% | 0.434 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.4 | -21.4 | 178.7 | -74.4 | 174.1 | -174 | -169.6 | -0.1 | 114.2 | E228 I230 | E228-R232 WeakPolarHBondContact O-CG 3.41Å; E228-R232 PolarHBondContact O-N 3.5Å; E228-R232 IonicContact OE1-CZ 2.82Å; E228-R232 IonicContact OE1-NE 3.29Å; E228-R232 IonicContact OE1-NH2 2.71Å; E228-R232 PolarHBondContact OE1-NH2 3.01Å; I230-R232 VanDerWaalsContact C-N 3.28Å; I230-R232 PolarHBondContact O-N 3.17Å |
| 233 | N | 32.6 | Very low | 30.6 | Very low | 130 Ų | 130 | 87.2 Ų | 87.2 | 70% | 0.695 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -102.6 | -20.9 | -170.8 | -74.2 | -12.4 | 0 | 0 | 0 | 115.6 | I230 M231 | I230-N233 PolarHBondContact O-N 3.05Å; M231-N233 PolarHBondContact O-N 3.48Å |
| 234 | D | 32.6 | Very low | 30.4 | Very low | 77 Ų | 77 | 85.3 Ų | 85.3 | 41% | 0.412 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -112.2 | -15.8 | -163.4 | -79.7 | -18.7 | 0 | 0 | 0 | 117.1 | R200 | R200-D234 IonicContact CZ-OD2 3.4Å; R200-D234 IonicContact NE-OD2 2.95Å; R200-D234 IonicContact NH2-OD2 3.6Å; R200-D234 PolarHBondContact NH2-OD2 3.24Å |
| 235 | H | 37.8 | Very low | 30.1 | Very low | 59 Ų | 59 | 84.1 Ų | 84.1 | 27% | 0.273 | 45% | 0.445 | S | S | . | . | trans | -142.2 | 51.8 | -162.5 | -63.3 | -52.3 | 0 | 0 | 0 | 116.1 | R200 D237 | R200-H235 WeakPolarHBondContact CG-NE2 3.44Å; H235-D237 VanDerWaalsContact C-N 3.26Å; H235-D237 PolarHBondContact O-N 3.05Å | ||
| 236 | E | 34.8 | Very low | 30 | Very low | 124 Ų | 124 | 84.1 Ų | 84.1 | 58% | 0.579 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -31.8 | 177.3 | -66.1 | -165.5 | 149.5 | 0 | 0 | 113.9 | ||
| 237 | D | 29.4 | Very low | 29.9 | Very low | 120 Ų | 120 | 85.1 Ų | 85.1 | 64% | 0.642 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -16.2 | -165.7 | -56.9 | -40.2 | 0 | 0 | 0 | 115.9 | H235 F239 D240 | H235-D237 VanDerWaalsContact C-N 3.26Å; H235-D237 PolarHBondContact O-N 3.05Å; D237-F239 VanDerWaalsContact C-N 3.29Å; D237-F239 PolarHBondContact O-N 2.97Å; D237-D240 PolarHBondContact O-N 3.05Å |
| 238 | A | 29.1 | Very low | 29.6 | Very low | 51 Ų | 51 | 88.2 Ų | 88.2 | 42% | 0.421 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -26.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I203 | I203-A238 HydrophobicContact CG2-CB 4.03Š|
| 239 | F | 28.5 | Very low | 29.3 | Very low | 94 Ų | 94 | 89.6 Ų | 89.6 | 41% | 0.412 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -17.1 | 179.6 | -81.6 | -85.8 | 0 | 0 | 0 | 113.7 | D237 S288 V291 | D237-F239 VanDerWaalsContact C-N 3.29Å; D237-F239 PolarHBondContact O-N 2.97Å; F239-S288 VanDerWaalsContact CB-OG 3.26Å; F239-S288 WeakPolarHBondContact CB-OG 2.86Å; F239-S288 VanDerWaalsContact CD1-OG 3.28Å; F239-S288 WeakPolarHBondContact CD1-OG 3.46Å; F239-S288 VanDerWaalsContact CG-OG 3.26Å; F239-S288 WeakPolarHBondContact CG-OG 3.47Å; F239-V291 HydrophobicContact CD1-CG2 4.39Å |
| 240 | D | 30 | Very low | 29.2 | Very low | 78 Ų | 78 | 88.6 Ų | 88.6 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -17.8 | -168.5 | -70.8 | -8 | 0 | 0 | 0 | 113.6 | D237 L242 N290 | D237-D240 PolarHBondContact O-N 3.05Å; D240-L242 VanDerWaalsContact C-N 3.26Å; D240-L242 PolarHBondContact O-N 3.45Å; D240-N290 WeakPolarHBondContact OD1-CB 3.21Å; D240-N290 PolarHBondContact OD1-ND2 2.87Å; D240-N290 PolarHBondContact OD2-ND2 2.92Å |
| 241 | M | 26.8 | Very low | 29.2 | Very low | 167 Ų | 167 | 94.2 Ų | 94.2 | 82% | 0.823 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 21.6 | -176.8 | -62.7 | -145.2 | 179.5 | 0 | 0 | 114.5 | P243 | M241-P243 WeakPolarHBondContact O-CD 3.29Š|
| 242 | L | 25.8 | Very low | 28.9 | Very low | 66 Ų | 66 | 92.5 Ų | 92.5 | 35% | 0.346 | 51% | 0.511 | S | S | . | . | trans | -106 | 106.3 | -172.4 | -65.5 | 169 | 0 | 0 | 0 | 112.8 | D240 L260 | D240-L242 VanDerWaalsContact C-N 3.26Å; D240-L242 PolarHBondContact O-N 3.45Å; L242-L260 HydrophobicContact CD1-CD1 3.43Å; L242-L260 VanDerWaalsContact CD1-CD1 3.43Å; L242-L260 HydrophobicContact CD1-CD2 3.66Å; L242-L260 HydrophobicContact CD1-CG 4.17Å; L242-L260 HydrophobicContact CD2-CD1 3.85Å; L242-L260 HydrophobicContact CG-CD1 4.3Å | ||
| 243 | P | 25.2 | Very low | 28.8 | Very low | 95 Ų | 95 | 89.9 Ų | 89.9 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | trans | -100.3 | 88.4 | -171.6 | 36.6 | -28.9 | 0 | 0 | 0 | 111.7 | M241 | M241-P243 WeakPolarHBondContact O-CD 3.29Š| ||
| 244 | Y | 28.7 | Very low | 28.4 | Very low | 126 Ų | 126 | 90.4 Ų | 90.4 | 49% | 0.494 | 51% | 0.506 | S | S | . | . | trans | -145.8 | 145.7 | 170.1 | -73.9 | -70.9 | 0 | 0 | 0 | 115 | D248 K294 | Y244-D248 HydrophobicContact CD1-CB 4.34Å; Y244-D248 WeakPolarHBondContact CD1-OD2 3.28Å; Y244-K294 WeakPolarHBondContact O-CE 3.44Å; Y244-K294 PolarHBondContact O-NZ 3.27Å | ||
| 245 | A | 24.7 | Very low | 28.2 | Very low | 51 Ų | 51 | 95.3 Ų | 95.3 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | trans | -107.8 | 153.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G247 D248 | A245-G247 PolarHBondContact O-N 3.35Å; A245-D248 PolarHBondContact N-OD2 3.23Å; A245-D248 PolarHBondContact O-N 2.91Å; A245-D248 VanDerWaalsContact O-N 3.16Å | ||
| 246 | P | 26.6 | Very low | 27.6 | Very low | 71 Ų | 71 | 98 Ų | 98 | 46% | 0.461 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -57.8 | -23 | -175.4 | -26.6 | 35.1 | 0 | 0 | 0 | 115.9 | D248 F249 E298 | P246-D248 PolarHBondContact O-N 3.35Å; P246-F249 PolarHBondContact O-N 2.88Å; P246-E298 HydrophobicContact CG-CG 4.3Å; P246-E298 VanDerWaalsContact CG-OE2 3.24Å; P246-E298 WeakPolarHBondContact CG-OE2 3.49Å |
| 247 | G | 26.6 | Very low | 27.2 | Very low | 58 Ų | 58 | 93.6 Ų | 93.6 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -65.4 | -25.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A245 F249 | A245-G247 PolarHBondContact O-N 3.35Å; G247-F249 PolarHBondContact O-N 3.4Å |
| 248 | D | 27.4 | Very low | 27.2 | Very low | 82 Ų | 82 | 91 Ų | 91 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -71.8 | -10.6 | -179 | -57.3 | -42.1 | 0 | 0 | 0 | 112.4 | Y244 A245 P246 T252 | Y244-D248 HydrophobicContact CD1-CB 4.34Å; Y244-D248 WeakPolarHBondContact CD1-OD2 3.28Å; A245-D248 PolarHBondContact N-OD2 3.23Å; A245-D248 PolarHBondContact O-N 2.91Å; A245-D248 VanDerWaalsContact O-N 3.16Å; P246-D248 PolarHBondContact O-N 3.35Å; D248-T252 PolarHBondContact O-OG1 3.21Å |
| 249 | F | 26.3 | Very low | 27.2 | Very low | 84 Ų | 84 | 89.3 Ų | 89.3 | 37% | 0.368 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -89.6 | -17.9 | -176.6 | -70.8 | -87.3 | 0 | 0 | 0 | 114.5 | P246 G247 D261 | P246-F249 PolarHBondContact O-N 2.88Å; G247-F249 PolarHBondContact O-N 3.4Å; F249-D261 HydrophobicContact CE1-CB 4.01Å; F249-D261 WeakPolarHBondContact CE1-OD1 3.48Å; F249-D261 VanDerWaalsContact CZ-OD1 3.26Å; F249-D261 WeakPolarHBondContact CZ-OD1 3.41Å |
| 250 | A | 28.1 | Very low | 27.2 | Very low | 88 Ų | 88 | 87.9 Ų | 87.9 | 73% | 0.727 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -73.9 | -29.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 251 | D | 27.9 | Very low | 27.1 | Very low | 159 Ų | 159 | 85.3 Ų | 85.3 | 85% | 0.85 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -110.2 | 3.7 | -173.6 | -71.7 | -32.5 | 0 | 0 | 0 | 114.2 | S253 | D251-S253 PolarHBondContact O-N 3.22Š|
| 252 | T | 25.6 | Very low | 27.2 | Very low | 48 Ų | 48 | 79.5 Ų | 79.5 | 29% | 0.294 | 45% | 0.45 | S | S | . | . | trans | -92.5 | 105.6 | -172.5 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | D248 N256 L257 | D248-T252 PolarHBondContact O-OG1 3.21Å; T252-N256 HydrophobicContact CG2-CB 3.41Å; T252-N256 VanDerWaalsContact CG2-CB 3.41Å; T252-L257 HydrophobicContact CG2-CD2 3.94Å | ||
| 253 | S | 29.6 | Very low | 27.5 | Very low | 59 Ų | 59 | 77.9 Ų | 77.9 | 41% | 0.413 | 45% | 0.445 | S | S | . | . | trans | -55.1 | 149.4 | 170.7 | 64.4 | 0 | 0 | 0 | 0 | 110.6 | D251 E255 N256 | D251-S253 PolarHBondContact O-N 3.22Å; S253-E255 PolarHBondContact O-N 3.05Å; S253-N256 PolarHBondContact O-N 3.34Å | ||
| 254 | F | 26 | Very low | 27.9 | Very low | 141 Ų | 141 | 75.9 Ų | 75.9 | 62% | 0.618 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -54.5 | -23.7 | -175.3 | -152 | -91 | 0 | 0 | 0 | 113.7 | N256 L257 F265 | F254-N256 VanDerWaalsContact C-N 3.33Å; F254-L257 HydrophobicContact CB-CD1 4.38Å; F254-L257 HydrophobicContact CD2-CD1 3.62Å; F254-L257 HydrophobicContact CE2-CD1 4.01Å; F254-L257 HydrophobicContact CG-CD1 3.96Å; F254-F265 HydrophobicContact CE2-CE1 4.41Å |
| 255 | E | 26.8 | Very low | 28 | Very low | 181 Ų | 181 | 75 Ų | 75 | 85% | 0.846 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -72.3 | -22.9 | 177.2 | -63 | 177.8 | 166.4 | 0 | 0 | 113.4 | S253 | S253-E255 PolarHBondContact O-N 3.05Š|
| 256 | N | 26.2 | Very low | 28.4 | Very low | 115 Ų | 115 | 75.3 Ų | 75.3 | 62% | 0.615 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -101.4 | 1 | 179.4 | -72.7 | -20.7 | 0 | 0 | 0 | 113.4 | T252 S253 F254 T258 | T252-N256 HydrophobicContact CG2-CB 3.41Å; T252-N256 VanDerWaalsContact CG2-CB 3.41Å; S253-N256 PolarHBondContact O-N 3.34Å; F254-N256 VanDerWaalsContact C-N 3.33Å; N256-T258 PolarHBondContact O-N 2.7Å |
| 257 | L | 26.3 | Very low | 28.8 | Very low | 31 Ų | 31 | 75.9 Ų | 75.9 | 16% | 0.162 | 42% | 0.42 | C | S | . | . | trans | -71.2 | 120.9 | 176.2 | -64.7 | 178.8 | 0 | 0 | 0 | 110.1 | T252 F254 D261 I262 | T252-L257 HydrophobicContact CG2-CD2 3.94Å; F254-L257 HydrophobicContact CB-CD1 4.38Å; F254-L257 HydrophobicContact CD2-CD1 3.62Å; F254-L257 HydrophobicContact CE2-CD1 4.01Å; F254-L257 HydrophobicContact CG-CD1 3.96Å; L257-D261 HydrophobicContact CB-CB 3.92Å; L257-D261 HydrophobicContact CD2-CB 3.88Å; L257-D261 HydrophobicContact CG-CB 4.4Å; L257-I262 HydrophobicContact CB-CG1 4.32Å | ||
| 258 | T | 29.3 | Very low | 29.1 | Very low | 65 Ų | 65 | 78.2 Ų | 78.2 | 40% | 0.399 | 42% | 0.418 | S | S | . | . | trans | -69.6 | 162.4 | 172.4 | 69 | 0 | 0 | 0 | 0 | 110.4 | N256 L260 D261 I262 | N256-T258 PolarHBondContact O-N 2.7Å; T258-L260 PolarHBondContact O-N 3.04Å; T258-L260 VanDerWaalsContact O-N 3.08Å; T258-D261 WeakPolarHBondContact CA-OD2 3.23Å; T258-D261 WeakPolarHBondContact CB-OD2 3.06Å; T258-D261 PolarHBondContact N-OD2 3.18Å; T258-D261 WeakPolarHBondContact O-CA 3.39Å; T258-D261 VanDerWaalsContact O-CB 3.3Å; T258-D261 WeakPolarHBondContact O-CB 3.35Å; T258-D261 PolarHBondContact O-N 2.95Å; T258-D261 VanDerWaalsContact OG1-CG 3.25Å; T258-D261 PolarHBondContact OG1-OD2 3.37Å; T258-I262 PolarHBondContact O-N 3.06Å | ||
| 259 | V | 28.9 | Very low | 29.4 | Very low | 16 Ų | 16 | 76.7 Ų | 76.7 | 10% | 0.097 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.1 | -24.2 | -175.7 | -176.4 | 0 | 0 | 0 | 0 | 112.9 | P209 L212 V216 S263 | P209-V259 HydrophobicContact CB-CG2 3.79Å; L212-V259 HydrophobicContact CB-CB 3.81Å; L212-V259 HydrophobicContact CB-CG1 3.53Å; L212-V259 HydrophobicContact CB-CG2 3.95Å; L212-V259 HydrophobicContact CD1-CB 4.35Å; V216-V259 HydrophobicContact CG2-CG1 4.46Å; V259-S263 PolarHBondContact O-N 3Å |
| 260 | L | 28.1 | Very low | 29.6 | Very low | 65 Ų | 65 | 75.6 Ų | 75.6 | 34% | 0.34 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -74.3 | -35.6 | 172.6 | -116.7 | 121.6 | 0 | 0 | 0 | 112.3 | L242 T258 I262 S263 V264 | L242-L260 HydrophobicContact CD1-CD1 3.43Å; L242-L260 VanDerWaalsContact CD1-CD1 3.43Å; L242-L260 HydrophobicContact CD1-CD2 3.66Å; L242-L260 HydrophobicContact CD1-CG 4.17Å; L242-L260 HydrophobicContact CD2-CD1 3.85Å; L242-L260 HydrophobicContact CG-CD1 4.3Å; T258-L260 PolarHBondContact O-N 3.04Å; T258-L260 VanDerWaalsContact O-N 3.08Å; L260-I262 VanDerWaalsContact C-N 3.26Å; L260-I262 PolarHBondContact O-N 2.92Å; L260-S263 PolarHBondContact O-N 3.27Å; L260-V264 WeakPolarHBondContact O-CB 3.43Å; L260-V264 WeakPolarHBondContact O-CG2 3.39Å; L260-V264 PolarHBondContact O-N 3.4Å |
| 261 | D | 28.4 | Very low | 29.7 | Very low | 24 Ų | 24 | 75.2 Ų | 75.2 | 13% | 0.128 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 173.3 | -52.7 | -36.9 | 0 | 0 | 0 | 110.2 | F249 L257 T258 F265 | F249-D261 HydrophobicContact CE1-CB 4.01Å; F249-D261 WeakPolarHBondContact CE1-OD1 3.48Å; F249-D261 VanDerWaalsContact CZ-OD1 3.26Å; F249-D261 WeakPolarHBondContact CZ-OD1 3.41Å; L257-D261 HydrophobicContact CB-CB 3.92Å; L257-D261 HydrophobicContact CD2-CB 3.88Å; L257-D261 HydrophobicContact CG-CB 4.4Å; T258-D261 WeakPolarHBondContact CA-OD2 3.23Å; T258-D261 WeakPolarHBondContact CB-OD2 3.06Å; T258-D261 PolarHBondContact N-OD2 3.18Å; T258-D261 WeakPolarHBondContact O-CA 3.39Å; T258-D261 VanDerWaalsContact O-CB 3.3Å; T258-D261 WeakPolarHBondContact O-CB 3.35Å; T258-D261 PolarHBondContact O-N 2.95Å; T258-D261 VanDerWaalsContact OG1-CG 3.25Å; T258-D261 PolarHBondContact OG1-OD2 3.37Å; D261-F265 WeakPolarHBondContact O-CB 3.44Å; D261-F265 PolarHBondContact O-N 3.1Å |
| 262 | I | 29.1 | Very low | 30 | Very low | 44 Ų | 44 | 71.3 Ų | 71.3 | 23% | 0.226 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 173.3 | -61.3 | 172.5 | 0 | 0 | 0 | 111.2 | L257 T258 L260 F265 I266 | L257-I262 HydrophobicContact CB-CG1 4.32Å; T258-I262 PolarHBondContact O-N 3.06Å; L260-I262 VanDerWaalsContact C-N 3.26Å; L260-I262 PolarHBondContact O-N 2.92Å; I262-F265 PolarHBondContact O-N 3.31Å; I262-I266 HydrophobicContact CG2-CD1 3.66Å; I262-I266 HydrophobicContact CG2-CG1 4.23Å; I262-I266 VanDerWaalsContact O-CB 3.31Å; I262-I266 WeakPolarHBondContact O-CB 2.98Å; I262-I266 WeakPolarHBondContact O-CG1 3.28Å; I262-I266 PolarHBondContact O-N 3.33Å |
| 263 | S | 32.6 | Very low | 30.3 | Very low | 32 Ų | 32 | 71.2 Ų | 71.2 | 22% | 0.224 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 176.8 | 173 | 0 | 0 | 0 | 0 | 111.9 | V259 L260 I266 H267 | V259-S263 PolarHBondContact O-N 3Å; L260-S263 PolarHBondContact O-N 3.27Å; S263-I266 PolarHBondContact O-N 3.25Å; S263-H267 WeakPolarHBondContact O-CB 2.84Å; S263-H267 PolarHBondContact O-CD2 3.4Å; S263-H267 PolarHBondContact O-N 3.01Å |
| 264 | V | 31.9 | Very low | 30.4 | Very low | 54 Ų | 54 | 68.8 Ų | 68.8 | 33% | 0.327 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 174.4 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | L260 I266 H267 L268 | L260-V264 WeakPolarHBondContact O-CB 3.43Å; L260-V264 WeakPolarHBondContact O-CG2 3.39Å; L260-V264 PolarHBondContact O-N 3.4Å; V264-I266 PolarHBondContact O-N 2.56Å; V264-H267 PolarHBondContact O-N 2.9Å; V264-L268 HydrophobicContact CG1-CD1 3.78Å; V264-L268 HydrophobicContact CG1-CG 4.29Å; V264-L268 WeakPolarHBondContact O-CB 3.35Å; V264-L268 VanDerWaalsContact O-CG 3.25Å; V264-L268 WeakPolarHBondContact O-CG 3.43Å; V264-L268 PolarHBondContact O-N 3.47Å |
| 265 | F | 31.8 | Very low | 30.7 | Very low | 107 Ų | 107 | 65 Ų | 65 | 47% | 0.469 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 175.9 | -166.9 | -89.2 | 0 | 0 | 0 | 112 | F254 D261 I262 L268 S269 | F254-F265 HydrophobicContact CE2-CE1 4.41Å; D261-F265 WeakPolarHBondContact O-CB 3.44Å; D261-F265 PolarHBondContact O-N 3.1Å; I262-F265 PolarHBondContact O-N 3.31Å; F265-L268 PolarHBondContact O-N 3.19Å; F265-S269 WeakPolarHBondContact CD1-OG 3.29Å; F265-S269 WeakPolarHBondContact CE1-OG 3.17Å; F265-S269 WeakPolarHBondContact O-CB 3.18Å; F265-S269 PolarHBondContact O-N 2.83Å; F265-S269 PolarHBondContact O-OG 3.44Å |
| 266 | I | 33.3 | Very low | 31.2 | Very low | 57 Ų | 57 | 60.9 Ų | 60.9 | 29% | 0.292 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 175 | -72.1 | 167.6 | 0 | 0 | 0 | 110.1 | I262 S263 V264 L268 S269 V270 | I262-I266 HydrophobicContact CG2-CD1 3.66Å; I262-I266 HydrophobicContact CG2-CG1 4.23Å; I262-I266 VanDerWaalsContact O-CB 3.31Å; I262-I266 WeakPolarHBondContact O-CB 2.98Å; I262-I266 WeakPolarHBondContact O-CG1 3.28Å; I262-I266 PolarHBondContact O-N 3.33Å; S263-I266 PolarHBondContact O-N 3.25Å; V264-I266 PolarHBondContact O-N 2.56Å; I266-L268 VanDerWaalsContact C-N 3.34Å; I266-L268 PolarHBondContact O-N 3.43Å; I266-S269 PolarHBondContact O-N 3.38Å; I266-V270 HydrophobicContact CG2-CG2 4.23Å; I266-V270 VanDerWaalsContact O-CB 3.31Å; I266-V270 WeakPolarHBondContact O-CB 3.49Å; I266-V270 WeakPolarHBondContact O-CG2 3.38Å; I266-V270 PolarHBondContact O-N 2.95Å |
| 267 | H | 35.6 | Very low | 31.6 | Very low | 84 Ų | 84 | 62.4 Ų | 62.4 | 39% | 0.389 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 176.2 | -75.3 | -50.8 | 0 | 0 | 0 | 112 | S263 V264 F271 F285 | S263-H267 WeakPolarHBondContact O-CB 2.84Å; S263-H267 PolarHBondContact O-CD2 3.4Å; S263-H267 PolarHBondContact O-N 3.01Å; V264-H267 PolarHBondContact O-N 2.9Å; H267-F271 WeakPolarHBondContact O-CB 3.35Å; H267-F271 PolarHBondContact O-N 2.87Å; H267-F285 HydrophobicContact CB-CE1 4.4Å |
| 268 | L | 32.7 | Very low | 31.8 | Very low | 106 Ų | 106 | 64 Ų | 64 | 56% | 0.555 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -69.7 | -36.1 | 175.5 | -70.9 | 172.4 | 0 | 0 | 0 | 112.5 | V264 F265 I266 F271 S272 | V264-L268 HydrophobicContact CG1-CD1 3.78Å; V264-L268 HydrophobicContact CG1-CG 4.29Å; V264-L268 WeakPolarHBondContact O-CB 3.35Å; V264-L268 VanDerWaalsContact O-CG 3.25Å; V264-L268 WeakPolarHBondContact O-CG 3.43Å; V264-L268 PolarHBondContact O-N 3.47Å; F265-L268 PolarHBondContact O-N 3.19Å; I266-L268 VanDerWaalsContact C-N 3.34Å; I266-L268 PolarHBondContact O-N 3.43Å; L268-F271 WeakPolarHBondContact O-CB 3.45Å; L268-F271 PolarHBondContact O-N 3.29Å; L268-S272 WeakPolarHBondContact O-CB 3.42Å; L268-S272 PolarHBondContact O-N 2.88Å |
| 269 | S | 32.5 | Very low | 32.2 | Very low | 51 Ų | 51 | 65.7 Ų | 65.7 | 36% | 0.357 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.2 | -41.4 | 177.1 | -63.1 | 0 | 0 | 0 | 0 | 111.4 | F265 I266 F271 S272 A273 | F265-S269 WeakPolarHBondContact CD1-OG 3.29Å; F265-S269 WeakPolarHBondContact CE1-OG 3.17Å; F265-S269 WeakPolarHBondContact O-CB 3.18Å; F265-S269 PolarHBondContact O-N 2.83Å; F265-S269 PolarHBondContact O-OG 3.44Å; I266-S269 PolarHBondContact O-N 3.38Å; S269-F271 VanDerWaalsContact C-N 3.34Å; S269-S272 PolarHBondContact O-N 2.66Å; S269-A273 VanDerWaalsContact O-CB 3.25Å; S269-A273 WeakPolarHBondContact O-CB 3.12Å; S269-A273 PolarHBondContact O-N 3.29Å |
| 270 | V | 31.2 | Very low | 32.2 | Very low | 60 Ų | 60 | 66.7 Ų | 66.7 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 172.7 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | I266 A273 A274 L283 | I266-V270 HydrophobicContact CG2-CG2 4.23Å; I266-V270 VanDerWaalsContact O-CB 3.31Å; I266-V270 WeakPolarHBondContact O-CB 3.49Å; I266-V270 WeakPolarHBondContact O-CG2 3.38Å; I266-V270 PolarHBondContact O-N 2.95Å; V270-A273 PolarHBondContact O-N 3.36Å; V270-A274 WeakPolarHBondContact O-CB 3.29Å; V270-A274 PolarHBondContact O-N 2.88Å; V270-L283 HydrophobicContact CG1-CD1 3.73Å; V270-L283 HydrophobicContact CG1-CD2 3.77Å; V270-L283 HydrophobicContact CG1-CG 4.44Å |
| 271 | F | 30.7 | Very low | 32.4 | Very low | 81 Ų | 81 | 72.9 Ų | 72.9 | 36% | 0.355 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 172.4 | -180 | -93.3 | 0 | 0 | 0 | 111.8 | H267 L268 S269 A273 A274 S275 L280 F285 | H267-F271 WeakPolarHBondContact O-CB 3.35Å; H267-F271 PolarHBondContact O-N 2.87Å; L268-F271 WeakPolarHBondContact O-CB 3.45Å; L268-F271 PolarHBondContact O-N 3.29Å; S269-F271 VanDerWaalsContact C-N 3.34Å; F271-A273 VanDerWaalsContact C-N 3.34Å; F271-A273 PolarHBondContact O-N 2.86Å; F271-A274 PolarHBondContact O-N 3.07Å; F271-S275 WeakPolarHBondContact O-CB 3.29Å; F271-S275 PolarHBondContact O-N 2.7Å; F271-L280 HydrophobicContact CD2-CD2 3.8Å; F271-L280 HydrophobicContact CE2-CD2 3.73Å; F271-L280 HydrophobicContact CZ-CD2 4.39Å; F271-F285 HydrophobicContact CB-CZ 4.2Å; F271-F285 HydrophobicContact CD2-CE2 4.26Å; F271-F285 HydrophobicContact CD2-CZ 4.15Å |
| 272 | S | 34.1 | Very low | 32.5 | Very low | 77 Ų | 77 | 79.3 Ų | 79.3 | 54% | 0.538 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 176.6 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | L268 S269 S276 | L268-S272 WeakPolarHBondContact O-CB 3.42Å; L268-S272 PolarHBondContact O-N 2.88Å; S269-S272 PolarHBondContact O-N 2.66Å; S272-S276 WeakPolarHBondContact O-CB 2.97Å; S272-S276 PolarHBondContact O-N 2.89Å; S272-S276 PolarHBondContact O-OG 2.65Å |
| 273 | A | 30.7 | Very low | 32.5 | Very low | 45 Ų | 45 | 79.7 Ų | 79.7 | 37% | 0.372 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69 | -38.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S269 V270 F271 S276 K277 | S269-A273 VanDerWaalsContact O-CB 3.25Å; S269-A273 WeakPolarHBondContact O-CB 3.12Å; S269-A273 PolarHBondContact O-N 3.29Å; V270-A273 PolarHBondContact O-N 3.36Å; F271-A273 VanDerWaalsContact C-N 3.34Å; F271-A273 PolarHBondContact O-N 2.86Å; A273-S276 WeakPolarHBondContact CA-OG 3.26Å; A273-S276 PolarHBondContact O-OG 3.27Å; A273-K277 WeakPolarHBondContact O-CB 3.47Å; A273-K277 VanDerWaalsContact O-CG 3.27Å; A273-K277 WeakPolarHBondContact O-CG 3.35Å; A273-K277 PolarHBondContact O-N 2.86Å |
| 274 | A | 31.6 | Very low | 32.3 | Very low | 9 Ų | 9 | 82 Ų | 82 | 7% | 0.074 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -73.9 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V270 F271 K277 G278 Q279 L280 L283 | V270-A274 WeakPolarHBondContact O-CB 3.29Å; V270-A274 PolarHBondContact O-N 2.88Å; F271-A274 PolarHBondContact O-N 3.07Å; A274-K277 CarbonylContact O-C 3.59Å; A274-K277 PolarHBondContact O-N 3.08Å; A274-G278 PolarHBondContact O-N 2.81Å; A274-Q279 PolarHBondContact O-N 3.27Å; A274-L280 HydrophobicContact CB-CD2 4.2Å; A274-L283 HydrophobicContact CB-CD1 3.34Å; A274-L283 HydrophobicContact CB-CG 4.5Å |
| 275 | S | 32.5 | Very low | 32.6 | Very low | 61 Ų | 61 | 81.4 Ų | 81.4 | 43% | 0.427 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 171.5 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | F271 K277 G278 | F271-S275 WeakPolarHBondContact O-CB 3.29Å; F271-S275 PolarHBondContact O-N 2.7Å; S275-K277 PolarHBondContact O-N 3.46Å; S275-K277 VanDerWaalsContact O-N 3.08Å; S275-G278 PolarHBondContact O-N 3.38Å; S275-G278 VanDerWaalsContact O-N 3.13Å |
| 276 | S | 37 | Very low | 32.7 | Very low | 94 Ų | 94 | 81 Ų | 81 | 66% | 0.657 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.3 | -19.7 | 176.6 | 68.9 | 0 | 0 | 0 | 0 | 113.9 | S272 A273 | S272-S276 WeakPolarHBondContact O-CB 2.97Å; S272-S276 PolarHBondContact O-N 2.89Å; S272-S276 PolarHBondContact O-OG 2.65Å; A273-S276 WeakPolarHBondContact CA-OG 3.26Å; A273-S276 PolarHBondContact O-OG 3.27Å |
| 277 | K | 36.2 | Very low | 32.8 | Very low | 148 Ų | 148 | 81 Ų | 81 | 64% | 0.643 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 2.1 | -179.2 | -68.5 | -178.8 | -178.9 | -175.3 | 0 | 113.6 | A273 A274 S275 Q279 | A273-K277 WeakPolarHBondContact O-CB 3.47Å; A273-K277 VanDerWaalsContact O-CG 3.27Å; A273-K277 WeakPolarHBondContact O-CG 3.35Å; A273-K277 PolarHBondContact O-N 2.86Å; A274-K277 CarbonylContact O-C 3.59Å; A274-K277 PolarHBondContact O-N 3.08Å; S275-K277 PolarHBondContact O-N 3.46Å; S275-K277 VanDerWaalsContact O-N 3.08Å; K277-Q279 HydrophobicContact CB-CG 4.18Å; K277-Q279 WeakPolarHBondContact O-CG 3.29Å; K277-Q279 PolarHBondContact O-N 3.03Å |
| 278 | G | 30.4 | Very low | 33 | Very low | 64 Ų | 64 | 77.9 Ų | 77.9 | 66% | 0.66 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 22.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A274 S275 | A274-G278 PolarHBondContact O-N 2.81Å; S275-G278 PolarHBondContact O-N 3.38Å; S275-G278 VanDerWaalsContact O-N 3.13Å |
| 279 | Q | 36.5 | Very low | 33.4 | Very low | 101 Ų | 101 | 73.7 Ų | 73.7 | 47% | 0.472 | 42% | 0.421 | S | S | . | . | trans | -102.5 | 18.3 | -175.6 | -66.5 | -173.8 | -2.8 | 0 | 0 | 113.3 | A274 K277 E281 K282 | A274-Q279 PolarHBondContact O-N 3.27Å; K277-Q279 HydrophobicContact CB-CG 4.18Å; K277-Q279 WeakPolarHBondContact O-CG 3.29Å; K277-Q279 PolarHBondContact O-N 3.03Å; Q279-E281 PolarHBondContact O-N 2.9Å; Q279-E281 VanDerWaalsContact O-N 3.17Å; Q279-K282 PolarHBondContact O-N 3.4Å; Q279-K282 VanDerWaalsContact O-N 3.11Å | ||
| 280 | L | 30.2 | Very low | 33.8 | Very low | 36 Ų | 36 | 74.1 Ų | 74.1 | 19% | 0.188 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -56.9 | -32.1 | -175.2 | -73.2 | 165.6 | 0 | 0 | 0 | 113.3 | F271 A274 K282 L283 | F271-L280 HydrophobicContact CD2-CD2 3.8Å; F271-L280 HydrophobicContact CE2-CD2 3.73Å; F271-L280 HydrophobicContact CZ-CD2 4.39Å; A274-L280 HydrophobicContact CB-CD2 4.2Å; L280-K282 PolarHBondContact O-N 3.42Å; L280-K282 VanDerWaalsContact O-N 3.11Å; L280-L283 PolarHBondContact O-N 3.49Å |
| 281 | E | 30.4 | Very low | 34.5 | Very low | 195 Ų | 195 | 72.9 Ų | 72.9 | 91% | 0.911 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -62.4 | -19.1 | 179.9 | -58 | -176 | -173.3 | 0 | 0 | 113.9 | Q279 | Q279-E281 PolarHBondContact O-N 2.9Å; Q279-E281 VanDerWaalsContact O-N 3.17Å |
| 282 | K | 30.5 | Very low | 35.3 | Very low | 160 Ų | 160 | 69.2 Ų | 69.2 | 70% | 0.696 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -90.5 | -1.6 | -176.4 | -63.6 | -174.4 | -179.4 | 178.3 | 0 | 114.1 | Q279 L280 P284 | Q279-K282 PolarHBondContact O-N 3.4Å; Q279-K282 VanDerWaalsContact O-N 3.11Å; L280-K282 PolarHBondContact O-N 3.42Å; L280-K282 VanDerWaalsContact O-N 3.11Å; K282-P284 WeakPolarHBondContact O-CD 3.45Å |
| 283 | L | 29.1 | Very low | 35.9 | Very low | 51 Ų | 51 | 66.4 Ų | 66.4 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | trans | -108.5 | 97.1 | -175.6 | -70.8 | 168.8 | 0 | 0 | 0 | 111.4 | V270 A274 L280 F285 | V270-L283 HydrophobicContact CG1-CD1 3.73Å; V270-L283 HydrophobicContact CG1-CD2 3.77Å; V270-L283 HydrophobicContact CG1-CG 4.44Å; A274-L283 HydrophobicContact CB-CD1 3.34Å; A274-L283 HydrophobicContact CB-CG 4.5Å; L280-L283 PolarHBondContact O-N 3.49Å; L283-F285 HydrophobicContact CB-CD2 4.08Å; L283-F285 HydrophobicContact CB-CE2 3.5Å; L283-F285 VanDerWaalsContact CB-CE2 3.5Å; L283-F285 HydrophobicContact CB-CZ 3.95Å; L283-F285 HydrophobicContact CD1-CE2 4.09Å; L283-F285 HydrophobicContact CD1-CZ 3.88Å; L283-F285 HydrophobicContact CG-CE2 4.42Å; L283-F285 HydrophobicContact CG-CZ 4.47Å; L283-F285 WeakPolarHBondContact O-CD2 3.28Å; L283-F285 PolarHBondContact O-N 2.93Å | ||
| 284 | P | 30 | Very low | 36.9 | Very low | 82 Ų | 82 | 67.9 Ų | 67.9 | 53% | 0.532 | 37% | 0.374 | S | S | . | . | trans | -73 | 109.3 | 166.4 | 28.6 | -30.2 | 0 | 0 | 0 | 109.3 | K282 | K282-P284 WeakPolarHBondContact O-CD 3.45Š| ||
| 285 | F | 36.8 | Very low | 37.9 | Very low | 40 Ų | 40 | 70.9 Ų | 70.9 | 18% | 0.175 | 39% | 0.385 | C | S | . | . | trans | -91.7 | 133.3 | 173.8 | -68.3 | -85.7 | 0 | 0 | 0 | 110.3 | H267 F271 L283 | H267-F285 HydrophobicContact CB-CE1 4.4Å; F271-F285 HydrophobicContact CB-CZ 4.2Å; F271-F285 HydrophobicContact CD2-CE2 4.26Å; F271-F285 HydrophobicContact CD2-CZ 4.15Å; L283-F285 HydrophobicContact CB-CD2 4.08Å; L283-F285 HydrophobicContact CB-CE2 3.5Å; L283-F285 VanDerWaalsContact CB-CE2 3.5Å; L283-F285 HydrophobicContact CB-CZ 3.95Å; L283-F285 HydrophobicContact CD1-CE2 4.09Å; L283-F285 HydrophobicContact CD1-CZ 3.88Å; L283-F285 HydrophobicContact CG-CE2 4.42Å; L283-F285 HydrophobicContact CG-CZ 4.47Å; L283-F285 WeakPolarHBondContact O-CD2 3.28Å; L283-F285 PolarHBondContact O-N 2.93Å | ||
| 286 | V | 34.6 | Very low | 39 | Very low | 99 Ų | 99 | 68 Ų | 68 | 60% | 0.6 | 37% | 0.365 | S | S | * | . | trans | -123.8 | 95.3 | 169.6 | -175.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 287 | L | 36.5 | Very low | 39.8 | Very low | 56 Ų | 56 | 70.1 Ų | 70.1 | 29% | 0.293 | 36% | 0.359 | S | S | . | . | trans | -80.5 | 144.2 | 161.5 | -70 | 169.1 | 0 | 0 | 0 | 107.8 | C289 V291 A292 F323 I327 | L287-C289 PolarHBondContact O-N 3.24Å; L287-V291 HydrophobicContact CD2-CG1 4.26Å; L287-A292 HydrophobicContact CB-CB 4.09Å; L287-F323 HydrophobicContact CD1-CE2 4.04Å; L287-F323 HydrophobicContact CD1-CZ 3.75Å; L287-I327 HydrophobicContact CB-CG2 3.72Å; L287-I327 HydrophobicContact CD1-CG2 3.75Å; L287-I327 HydrophobicContact CG-CG2 3.85Å | ||
| 288 | S | 38.3 | Very low | 40.7 | Very low | 19 Ų | 19 | 65 Ų | 65 | 13% | 0.133 | 34% | 0.337 | C | S | . | . | trans | -58.1 | 142 | 168.6 | 67.5 | 0 | 0 | 0 | 0 | 109.6 | F239 N290 V291 A292 | F239-S288 VanDerWaalsContact CB-OG 3.26Å; F239-S288 WeakPolarHBondContact CB-OG 2.86Å; F239-S288 VanDerWaalsContact CD1-OG 3.28Å; F239-S288 WeakPolarHBondContact CD1-OG 3.46Å; F239-S288 VanDerWaalsContact CG-OG 3.26Å; F239-S288 WeakPolarHBondContact CG-OG 3.47Å; S288-N290 PolarHBondContact O-N 2.8Å; S288-N290 VanDerWaalsContact O-N 3.12Å; S288-V291 PolarHBondContact O-N 2.96Å; S288-V291 WeakPolarHBondContact OG-CB 3.33Å; S288-V291 VanDerWaalsContact OG-CG2 3.22Å; S288-V291 WeakPolarHBondContact OG-CG2 3.49Å; S288-A292 PolarHBondContact O-N 3.29Å | ||
| 289 | C | 40.8 | Very low | 42.1 | Very low | 18 Ų | 18 | 63.7 Ų | 63.7 | 12% | 0.122 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.3 | -34.7 | -171.8 | -78.1 | 0 | 0 | 0 | 0 | 113.2 | L287 A292 V293 Q331 | L287-C289 PolarHBondContact O-N 3.24Å; C289-A292 PolarHBondContact O-N 3.03Å; C289-V293 VanDerWaalsContact O-CB 3.29Å; C289-V293 WeakPolarHBondContact O-CB 3.32Å; C289-V293 WeakPolarHBondContact O-CG2 3.29Å; C289-V293 PolarHBondContact O-N 3.47Å; C289-Q331 WeakPolarHBondContact SG-CB 3.33Å; C289-Q331 VanDerWaalsContact SG-CG 3.6Å; C289-Q331 PolarHBondContact SG-OE1 3.4Å |
| 290 | N | 41.7 | Very low | 43 | Very low | 60 Ų | 60 | 59 Ų | 59 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -74.2 | -34.9 | 179.2 | -68.9 | -30.2 | 0 | 0 | 0 | 112.8 | D240 S288 K294 | D240-N290 WeakPolarHBondContact OD1-CB 3.21Å; D240-N290 PolarHBondContact OD1-ND2 2.87Å; D240-N290 PolarHBondContact OD2-ND2 2.92Å; S288-N290 PolarHBondContact O-N 2.8Å; S288-N290 VanDerWaalsContact O-N 3.12Å; N290-K294 VanDerWaalsContact O-CB 3.23Å; N290-K294 WeakPolarHBondContact O-CB 3.31Å; N290-K294 PolarHBondContact O-N 2.94Å |
| 291 | V | 46 | Very low | 44.4 | Very low | 34 Ų | 34 | 62.1 Ų | 62.1 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68 | -43 | 171.1 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | F239 L287 S288 K294 K295 | F239-V291 HydrophobicContact CD1-CG2 4.39Å; L287-V291 HydrophobicContact CD2-CG1 4.26Å; S288-V291 PolarHBondContact O-N 2.96Å; S288-V291 WeakPolarHBondContact OG-CB 3.33Å; S288-V291 VanDerWaalsContact OG-CG2 3.22Å; S288-V291 WeakPolarHBondContact OG-CG2 3.49Å; V291-K294 PolarHBondContact O-N 3.26Å; V291-K295 HydrophobicContact CG1-CG 4.17Å; V291-K295 WeakPolarHBondContact O-CB 3.43Å; V291-K295 WeakPolarHBondContact O-CG 3.45Å; V291-K295 PolarHBondContact O-N 2.96Å |
| 292 | A | 48.4 | Very low | 45.9 | Very low | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.033 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | L287 S288 C289 K295 M296 I327 | L287-A292 HydrophobicContact CB-CB 4.09Å; S288-A292 PolarHBondContact O-N 3.29Å; C289-A292 PolarHBondContact O-N 3.03Å; A292-K295 PolarHBondContact O-N 3.42Å; A292-M296 WeakPolarHBondContact O-CB 3.33Å; A292-M296 PolarHBondContact O-N 3.31Å; A292-I327 HydrophobicContact CB-CD1 3.97Å |
| 293 | V | 46.3 | Very low | 47.3 | Very low | 18 Ų | 18 | 50 Ų | 50 | 11% | 0.109 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 176.5 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | C289 R297 P335 L339 | C289-V293 VanDerWaalsContact O-CB 3.29Å; C289-V293 WeakPolarHBondContact O-CB 3.32Å; C289-V293 WeakPolarHBondContact O-CG2 3.29Å; C289-V293 PolarHBondContact O-N 3.47Å; V293-R297 WeakPolarHBondContact O-CB 3.36Å; V293-R297 PolarHBondContact O-N 2.84Å; V293-P335 HydrophobicContact CG1-CB 4.38Å; V293-P335 HydrophobicContact CG2-CB 3.97Å; V293-L339 HydrophobicContact CG1-CD1 4.04Å |
| 294 | K | 51.5 | Low | 48.6 | Very low | 76 Ų | 76 | 48 Ų | 48 | 33% | 0.33 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.9 | -50.5 | 176.7 | -179 | 179.7 | 174 | -177.6 | 0 | 111.7 | Y244 N290 V291 M296 R297 E298 | Y244-K294 WeakPolarHBondContact O-CE 3.44Å; Y244-K294 PolarHBondContact O-NZ 3.27Å; N290-K294 VanDerWaalsContact O-CB 3.23Å; N290-K294 WeakPolarHBondContact O-CB 3.31Å; N290-K294 PolarHBondContact O-N 2.94Å; V291-K294 PolarHBondContact O-N 3.26Å; K294-M296 VanDerWaalsContact C-N 3.28Å; K294-M296 PolarHBondContact O-N 3.45Å; K294-R297 WeakPolarHBondContact O-CB 3.48Å; K294-R297 PolarHBondContact O-N 3Å; K294-R297 VanDerWaalsContact O-N 3.1Å; K294-E298 WeakPolarHBondContact CE-OE1 3.46Å; K294-E298 WeakPolarHBondContact O-CG 3.45Å; K294-E298 PolarHBondContact O-N 3.42Å |
| 295 | K | 52.4 | Low | 50 | Low | 72 Ų | 72 | 49 Ų | 49 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.6 | -37.5 | 177.4 | -74.1 | -74.2 | 162.5 | -153.7 | 0 | 111.6 | V291 A292 E298 A299 F323 | V291-K295 HydrophobicContact CG1-CG 4.17Å; V291-K295 WeakPolarHBondContact O-CB 3.43Å; V291-K295 WeakPolarHBondContact O-CG 3.45Å; V291-K295 PolarHBondContact O-N 2.96Å; A292-K295 PolarHBondContact O-N 3.42Å; K295-E298 WeakPolarHBondContact CD-OE2 3.4Å; K295-E298 IonicContact NZ-OE2 3.96Å; K295-E298 PolarHBondContact NZ-OE2 3.1Å; K295-E298 PolarHBondContact O-N 3.17Å; K295-A299 WeakPolarHBondContact O-CB 3.16Å; K295-A299 PolarHBondContact O-N 3.16Å; K295-F323 HydrophobicContact CB-CZ 4.4Å |
| 296 | M | 55.3 | Low | 51.1 | Low | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 171 | -179.9 | -175 | -174.9 | 0 | 0 | 111.6 | A292 K294 E298 A299 V300 L324 C336 L339 L340 | A292-M296 WeakPolarHBondContact O-CB 3.33Å; A292-M296 PolarHBondContact O-N 3.31Å; K294-M296 VanDerWaalsContact C-N 3.28Å; K294-M296 PolarHBondContact O-N 3.45Å; M296-E298 VanDerWaalsContact C-N 3.31Å; M296-E298 PolarHBondContact O-N 3.35Å; M296-A299 PolarHBondContact O-N 3.46Å; M296-V300 HydrophobicContact CE-CG2 4.4Å; M296-V300 HydrophobicContact CG-CG2 4.07Å; M296-V300 VanDerWaalsContact O-CB 3.29Å; M296-V300 WeakPolarHBondContact O-CB 3.49Å; M296-V300 WeakPolarHBondContact O-CG2 3.36Å; M296-V300 PolarHBondContact O-N 3.04Å; M296-L324 HydrophobicContact CB-CD2 4.36Å; M296-L324 HydrophobicContact CE-CD1 3.43Å; M296-L324 VanDerWaalsContact CE-CD1 3.43Å; M296-L324 HydrophobicContact CE-CD2 3.9Å; M296-L324 HydrophobicContact CE-CG 4.3Å; M296-L324 HydrophobicContact CG-CD2 3.96Å; M296-L324 HydrophobicContact SD-CD1 4.14Å; M296-L324 HydrophobicContact SD-CD2 3.43Å; M296-L324 WeakPolarHBondContact SD-CD2 3.47Å; M296-L324 HydrophobicContact SD-CG 4.4Å; M296-C336 HydrophobicContact CE-CB 3.81Å; M296-C336 WeakPolarHBondContact CE-O 3.34Å; M296-C336 WeakPolarHBondContact SD-CA 3.44Å; M296-C336 HydrophobicContact SD-CB 3.39Å; M296-C336 WeakPolarHBondContact SD-CB 3.24Å; M296-C336 PolarHBondContact SD-SG 2.84Å; M296-L339 HydrophobicContact CE-CB 4.08Å; M296-L339 HydrophobicContact CG-CD1 4.36Å; M296-L339 HydrophobicContact SD-CB 4.45Å; M296-L339 HydrophobicContact SD-CD1 4.15Å; M296-L340 HydrophobicContact CE-CD1 4.08Å; M296-L340 HydrophobicContact CE-CD2 3.68Å; M296-L340 HydrophobicContact CE-CG 3.43Å; M296-L340 VanDerWaalsContact CE-CG 3.43Å |
| 297 | R | 53.2 | Low | 52.3 | Low | 138 Ų | 138 | 45.1 Ų | 45.1 | 52% | 0.521 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.3 | -44.8 | 176.2 | -173 | -172.6 | -64.3 | 174.6 | -0.5 | 111 | V293 K294 W301 L339 | V293-R297 WeakPolarHBondContact O-CB 3.36Å; V293-R297 PolarHBondContact O-N 2.84Å; K294-R297 WeakPolarHBondContact O-CB 3.48Å; K294-R297 PolarHBondContact O-N 3Å; K294-R297 VanDerWaalsContact O-N 3.1Å; R297-W301 WeakPolarHBondContact O-CB 3.24Å; R297-W301 PolarHBondContact O-N 3.35Å; R297-L339 HydrophobicContact CB-CD1 4.15Å; R297-L339 HydrophobicContact CB-CD2 4.46Å; R297-L339 HydrophobicContact CG-CD2 4.24Å |
| 298 | E | 56.5 | Low | 53.2 | Low | 41 Ų | 41 | 46 Ų | 46 | 19% | 0.192 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.6 | -47.7 | 175.1 | -71.9 | 169.4 | -171.5 | 0 | 0 | 111.6 | P246 K294 K295 M296 W301 T302 | P246-E298 HydrophobicContact CG-CG 4.3Å; P246-E298 VanDerWaalsContact CG-OE2 3.24Å; P246-E298 WeakPolarHBondContact CG-OE2 3.49Å; K294-E298 WeakPolarHBondContact CE-OE1 3.46Å; K294-E298 WeakPolarHBondContact O-CG 3.45Å; K294-E298 PolarHBondContact O-N 3.42Å; K295-E298 WeakPolarHBondContact CD-OE2 3.4Å; K295-E298 IonicContact NZ-OE2 3.96Å; K295-E298 PolarHBondContact NZ-OE2 3.1Å; K295-E298 PolarHBondContact O-N 3.17Å; M296-E298 VanDerWaalsContact C-N 3.31Å; M296-E298 PolarHBondContact O-N 3.35Å; E298-W301 PolarHBondContact O-N 2.84Å; E298-T302 WeakPolarHBondContact O-CB 3.46Å; E298-T302 PolarHBondContact O-N 2.75Å; E298-T302 PolarHBondContact O-OG1 2.68Å |
| 299 | A | 59.3 | Low | 54.1 | Low | 37 Ų | 37 | 47.7 Ų | 47.7 | 31% | 0.306 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K295 M296 T302 S303 I320 | K295-A299 WeakPolarHBondContact O-CB 3.16Å; K295-A299 PolarHBondContact O-N 3.16Å; M296-A299 PolarHBondContact O-N 3.46Å; A299-T302 PolarHBondContact O-N 2.58Å; A299-S303 VanDerWaalsContact O-CB 3.32Å; A299-S303 WeakPolarHBondContact O-CB 3.35Å; A299-S303 PolarHBondContact O-N 2.75Å; A299-I320 HydrophobicContact CB-CD1 4.44Å; A299-I320 HydrophobicContact CB-CG1 4.12Å |
| 300 | V | 55.1 | Low | 55 | Low | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 177.3 | 169.6 | 0 | 0 | 0 | 0 | 111 | M296 S303 V304 I320 L340 A343 Y373 | M296-V300 HydrophobicContact CE-CG2 4.4Å; M296-V300 HydrophobicContact CG-CG2 4.07Å; M296-V300 VanDerWaalsContact O-CB 3.29Å; M296-V300 WeakPolarHBondContact O-CB 3.49Å; M296-V300 WeakPolarHBondContact O-CG2 3.36Å; M296-V300 PolarHBondContact O-N 3.04Å; V300-S303 WeakPolarHBondContact O-CB 3.49Å; V300-S303 PolarHBondContact O-N 3.1Å; V300-V304 VanDerWaalsContact O-CG2 3.31Å; V300-V304 WeakPolarHBondContact O-CG2 3.23Å; V300-V304 PolarHBondContact O-N 3.48Å; V300-I320 HydrophobicContact CG2-CD1 4.2Å; V300-I320 HydrophobicContact CG2-CG2 4.22Å; V300-L340 HydrophobicContact CG2-CD2 4.25Å; V300-A343 HydrophobicContact CG1-CB 3.42Å; V300-A343 VanDerWaalsContact CG1-CB 3.42Å; V300-Y373 HydrophobicContact CG1-CE1 4.44Å |
| 301 | W | 59.7 | Low | 55.5 | Low | 101 Ų | 101 | 57.1 Ų | 57.1 | 38% | 0.383 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 173.7 | -89.9 | -179.4 | 0 | 0 | 0 | 114.2 | R297 E298 S303 V304 N305 M346 | R297-W301 WeakPolarHBondContact O-CB 3.24Å; R297-W301 PolarHBondContact O-N 3.35Å; E298-W301 PolarHBondContact O-N 2.84Å; W301-S303 VanDerWaalsContact C-N 3.3Å; W301-S303 PolarHBondContact O-N 2.95Å; W301-V304 HydrophobicContact CE3-CB 4.04Å; W301-V304 HydrophobicContact CE3-CG1 4.41Å; W301-V304 HydrophobicContact CE3-CG2 4Å; W301-V304 HydrophobicContact CZ3-CB 4.41Å; W301-V304 HydrophobicContact CZ3-CG1 4.45Å; W301-V304 HydrophobicContact CZ3-CG2 4.09Å; W301-V304 PolarHBondContact O-N 3Å; W301-N305 VanDerWaalsContact O-CB 3.23Å; W301-N305 WeakPolarHBondContact O-CB 3.44Å; W301-N305 PolarHBondContact O-N 2.92Å; W301-N305 PolarHBondContact O-ND2 3.05Å; W301-M346 HydrophobicContact CH2-CE 3.63Å; W301-M346 HydrophobicContact CH2-SD 3.16Å; W301-M346 WeakPolarHBondContact CH2-SD 3.46Å; W301-M346 HydrophobicContact CZ2-CE 4.22Å; W301-M346 HydrophobicContact CZ2-SD 4.01Å; W301-M346 HydrophobicContact CZ3-CE 3.99Å; W301-M346 HydrophobicContact CZ3-SD 3.81Å |
| 302 | T | 61.1 | Low | 56.1 | Low | 95 Ų | 95 | 58.2 Ų | 58.2 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.4 | -43.9 | 174.7 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | E298 A299 N305 A306 | E298-T302 WeakPolarHBondContact O-CB 3.46Å; E298-T302 PolarHBondContact O-N 2.75Å; E298-T302 PolarHBondContact O-OG1 2.68Å; A299-T302 PolarHBondContact O-N 2.58Å; T302-N305 PolarHBondContact O-N 3.44Å; T302-A306 WeakPolarHBondContact O-CB 3.39Å; T302-A306 PolarHBondContact O-N 3.28Å |
| 303 | S | 61.7 | Low | 56.8 | Low | 6 Ų | 6 | 59.4 Ų | 59.4 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -52 | 176.3 | -164.2 | 0 | 0 | 0 | 0 | 112 | A299 V300 W301 N305 A306 Y307 Y369 Y373 | A299-S303 VanDerWaalsContact O-CB 3.32Å; A299-S303 WeakPolarHBondContact O-CB 3.35Å; A299-S303 PolarHBondContact O-N 2.75Å; V300-S303 WeakPolarHBondContact O-CB 3.49Å; V300-S303 PolarHBondContact O-N 3.1Å; W301-S303 VanDerWaalsContact C-N 3.3Å; W301-S303 PolarHBondContact O-N 2.95Å; S303-N305 PolarHBondContact O-N 3.32Å; S303-A306 PolarHBondContact O-N 2.88Å; S303-Y307 WeakPolarHBondContact O-CB 3.41Å; S303-Y307 PolarHBondContact O-N 3.39Å; S303-Y369 PolarHBondContact O-OH 3.13Å; S303-Y369 VanDerWaalsContact O-OH 3.07Å; S303-Y369 PolarHBondContact OG-OH 3.1Å; S303-Y373 VanDerWaalsContact CB-OH 3.29Å; S303-Y373 WeakPolarHBondContact CB-OH 3.22Å; S303-Y373 PolarHBondContact OG-OH 3.31Å; S303-Y373 VanDerWaalsContact OG-OH 3.08Å |
| 304 | V | 56.3 | Low | 57.4 | Low | 8 Ų | 8 | 61.6 Ų | 61.6 | 5% | 0.048 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 177.8 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | V300 W301 Y307 V308 A343 I347 | V300-V304 VanDerWaalsContact O-CG2 3.31Å; V300-V304 WeakPolarHBondContact O-CG2 3.23Å; V300-V304 PolarHBondContact O-N 3.48Å; W301-V304 HydrophobicContact CE3-CB 4.04Å; W301-V304 HydrophobicContact CE3-CG1 4.41Å; W301-V304 HydrophobicContact CE3-CG2 4Å; W301-V304 HydrophobicContact CZ3-CB 4.41Å; W301-V304 HydrophobicContact CZ3-CG1 4.45Å; W301-V304 HydrophobicContact CZ3-CG2 4.09Å; W301-V304 PolarHBondContact O-N 3Å; V304-Y307 PolarHBondContact O-N 2.91Å; V304-V308 HydrophobicContact CG1-CG2 4.41Å; V304-V308 WeakPolarHBondContact O-CB 3.31Å; V304-V308 VanDerWaalsContact O-CG2 3.24Å; V304-V308 WeakPolarHBondContact O-CG2 3Å; V304-V308 PolarHBondContact O-N 2.68Å; V304-A343 HydrophobicContact CG2-CB 3.93Å; V304-I347 HydrophobicContact CG2-CD1 4.03Å; V304-I347 HydrophobicContact CG2-CG1 4.21Å |
| 305 | N | 59 | Low | 57.9 | Low | 104 Ų | 104 | 66.3 Ų | 66.3 | 56% | 0.556 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.4 | -40.5 | 178.6 | -73.8 | -23.5 | 0 | 0 | 0 | 112.3 | W301 T302 S303 Y307 V308 A309 | W301-N305 VanDerWaalsContact O-CB 3.23Å; W301-N305 WeakPolarHBondContact O-CB 3.44Å; W301-N305 PolarHBondContact O-N 2.92Å; W301-N305 PolarHBondContact O-ND2 3.05Å; T302-N305 PolarHBondContact O-N 3.44Å; S303-N305 PolarHBondContact O-N 3.32Å; N305-Y307 VanDerWaalsContact C-N 3.32Å; N305-V308 PolarHBondContact O-N 2.98Å; N305-A309 VanDerWaalsContact O-CB 3.29Å; N305-A309 WeakPolarHBondContact O-CB 3.33Å; N305-A309 PolarHBondContact O-N 3.47Å |
| 306 | A | 59.5 | Low | 58.6 | Low | 19 Ų | 19 | 64.6 Ų | 64.6 | 16% | 0.157 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T302 S303 A309 G310 R311 T312 | T302-A306 WeakPolarHBondContact O-CB 3.39Å; T302-A306 PolarHBondContact O-N 3.28Å; S303-A306 PolarHBondContact O-N 2.88Å; A306-A309 CarbonylContact O-C 3.33Å; A306-A309 PolarHBondContact O-N 3.47Å; A306-G310 PolarHBondContact O-N 3.13Å; A306-R311 PolarHBondContact O-N 2.83Å; A306-T312 HydrophobicContact CB-CG2 3.68Å; A306-T312 VanDerWaalsContact CB-OG1 3.26Å; A306-T312 WeakPolarHBondContact CB-OG1 3.33Å |
| 307 | Y | 59 | Low | 59 | Low | 38 Ų | 38 | 64.6 Ų | 64.6 | 15% | 0.149 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.2 | -49.8 | 172 | 175.4 | -97.2 | 0 | 0 | 0 | 112.6 | S303 V304 N305 A309 G310 I347 V366 Y369 | S303-Y307 WeakPolarHBondContact O-CB 3.41Å; S303-Y307 PolarHBondContact O-N 3.39Å; V304-Y307 PolarHBondContact O-N 2.91Å; N305-Y307 VanDerWaalsContact C-N 3.32Å; Y307-A309 PolarHBondContact O-N 3.07Å; Y307-G310 WeakPolarHBondContact O-CA 3.38Å; Y307-G310 PolarHBondContact O-N 3.2Å; Y307-I347 HydrophobicContact CD1-CG1 4.39Å; Y307-I347 HydrophobicContact CD1-CG2 4.33Å; Y307-I347 HydrophobicContact CE1-CG2 3.99Å; Y307-V366 HydrophobicContact CE1-CG1 4.28Å; Y307-V366 WeakPolarHBondContact OH-CA 3.46Å; Y307-V366 WeakPolarHBondContact OH-CB 3.21Å; Y307-V366 WeakPolarHBondContact OH-CG1 3.25Å; Y307-V366 WeakPolarHBondContact OH-CG2 3.15Å; Y307-V366 PolarHBondContact OH-N 2.87Å; Y307-Y369 VanDerWaalsContact CB-CE1 3.4Å; Y307-Y369 HydrophobicContact CD1-CD1 4.01Å; Y307-Y369 HydrophobicContact CD1-CE1 4.31Å; Y307-Y369 AromaticContact CD2-CD1 3.46Å; Y307-Y369 HydrophobicContact CD2-CD1 3.46Å; Y307-Y369 VanDerWaalsContact CD2-CD1 3.46Å; Y307-Y369 AromaticContact CD2-CD2 3.71Å; Y307-Y369 HydrophobicContact CD2-CD2 3.71Å; Y307-Y369 AromaticContact CD2-CE1 3.84Å; Y307-Y369 HydrophobicContact CD2-CE1 3.84Å; Y307-Y369 HydrophobicContact CD2-CE2 4.04Å; Y307-Y369 AromaticContact CD2-CG 3.41Å; Y307-Y369 HydrophobicContact CD2-CG 3.41Å; Y307-Y369 VanDerWaalsContact CD2-CG 3.41Å; Y307-Y369 HydrophobicContact CE2-CD1 4.06Å; Y307-Y369 HydrophobicContact CE2-CD2 4.29Å; Y307-Y369 AromaticContact CE2-CG 3.77Å; Y307-Y369 HydrophobicContact CE2-CG 3.77Å; Y307-Y369 AromaticContact CG-CD1 3.46Å; Y307-Y369 HydrophobicContact CG-CD1 3.46Å; Y307-Y369 VanDerWaalsContact CG-CD1 3.46Å; Y307-Y369 HydrophobicContact CG-CD2 4.43Å; Y307-Y369 AromaticContact CG-CE1 3.56Å; Y307-Y369 HydrophobicContact CG-CE1 3.56Å; Y307-Y369 HydrophobicContact CG-CE2 4.49Å; Y307-Y369 AromaticContact CG-CG 3.95Å; Y307-Y369 HydrophobicContact CG-CG 3.95Å |
| 308 | V | 57.1 | Low | 59.5 | Low | 74 Ų | 74 | 61.5 Ų | 61.5 | 45% | 0.448 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.7 | -32.4 | 176.8 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | V304 N305 G310 | V304-V308 HydrophobicContact CG1-CG2 4.41Å; V304-V308 WeakPolarHBondContact O-CB 3.31Å; V304-V308 VanDerWaalsContact O-CG2 3.24Å; V304-V308 WeakPolarHBondContact O-CG2 3Å; V304-V308 PolarHBondContact O-N 2.68Å; N305-V308 PolarHBondContact O-N 2.98Å; V308-G310 VanDerWaalsContact C-N 3.25Å; V308-G310 PolarHBondContact O-N 3.49Å |
| 309 | A | 57.1 | Low | 59.7 | Low | 55 Ų | 55 | 64.5 Ų | 64.5 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 0.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | N305 A306 Y307 R311 | N305-A309 VanDerWaalsContact O-CB 3.29Å; N305-A309 WeakPolarHBondContact O-CB 3.33Å; N305-A309 PolarHBondContact O-N 3.47Å; A306-A309 CarbonylContact O-C 3.33Å; A306-A309 PolarHBondContact O-N 3.47Å; Y307-A309 PolarHBondContact O-N 3.07Å; A309-R311 HydrophobicContact CB-CG 3.83Å; A309-R311 PolarHBondContact O-N 3.2Å |
| 310 | G | 58.4 | Low | 59.8 | Low | 69 Ų | 69 | 63.2 Ų | 63.2 | 71% | 0.711 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 19.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | A306 Y307 V308 | A306-G310 PolarHBondContact O-N 3.13Å; Y307-G310 WeakPolarHBondContact O-CA 3.38Å; Y307-G310 PolarHBondContact O-N 3.2Å; V308-G310 VanDerWaalsContact C-N 3.25Å; V308-G310 PolarHBondContact O-N 3.49Å |
| 311 | R | 52.9 | Low | 60.2 | Low | 208 Ų | 208 | 64.5 Ų | 64.5 | 79% | 0.785 | 35% | 0.353 | S | S | * | . | trans | -93.4 | -20.7 | -169.8 | -62.9 | -176.7 | -170.6 | -178.8 | 3.3 | 114.3 | A306 A309 | A306-R311 PolarHBondContact O-N 2.83Å; A309-R311 HydrophobicContact CB-CG 3.83Å; A309-R311 PolarHBondContact O-N 3.2Å | ||
| 312 | T | 57.9 | Low | 60.2 | Low | 56 Ų | 56 | 63.6 Ų | 63.6 | 34% | 0.344 | 35% | 0.353 | S | S | . | . | trans | -138.7 | 173.3 | -172 | 62 | 0 | 0 | 0 | 0 | 113.3 | A306 D316 | A306-T312 HydrophobicContact CB-CG2 3.68Å; A306-T312 VanDerWaalsContact CB-OG1 3.26Å; A306-T312 WeakPolarHBondContact CB-OG1 3.33Å; T312-D316 WeakPolarHBondContact CB-OD1 3.32Å; T312-D316 WeakPolarHBondContact CB-OD2 3.22Å; T312-D316 PolarHBondContact OG1-OD2 2.94Å | ||
| 313 | G | 62.6 | Low | 59.9 | Low | 29 Ų | 29 | 62.5 Ų | 62.5 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | trans | -136.7 | -178.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K315 D316 Y369 | G313-K315 PolarHBondContact O-N 3.05Å; G313-D316 PolarHBondContact O-N 3.48Å; G313-D316 VanDerWaalsContact O-OD1 3.11Å; G313-Y369 WeakPolarHBondContact O-CE2 3.29Å | ||
| 314 | P | 60.6 | Low | 59.6 | Low | 65 Ų | 65 | 62.3 Ų | 62.3 | 42% | 0.422 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -18.8 | -166.8 | -28.4 | 34.4 | 0 | 0 | 0 | 117 | D316 V317 E318 Y369 A372 | P314-D316 PolarHBondContact O-N 3.33Å; P314-V317 WeakPolarHBondContact O-CB 3.43Å; P314-V317 PolarHBondContact O-N 3.01Å; P314-V317 VanDerWaalsContact O-N 3.11Å; P314-E318 PolarHBondContact O-N 3.44Å; P314-Y369 HydrophobicContact CG-CD2 4.31Å; P314-A372 HydrophobicContact CB-CB 3.99Å |
| 315 | K | 62.1 | Low | 59.6 | Low | 174 Ų | 174 | 65 Ų | 65 | 76% | 0.757 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.5 | -29.2 | 179.5 | -68.8 | -175.4 | 178.2 | -178.5 | 0 | 113.7 | G313 V317 E318 N319 | G313-K315 PolarHBondContact O-N 3.05Å; K315-V317 PolarHBondContact O-N 3.28Å; K315-E318 WeakPolarHBondContact O-CB 3.35Å; K315-E318 PolarHBondContact O-N 3.5Å; K315-N319 PolarHBondContact O-N 2.91Å |
| 316 | D | 65.6 | Low | 59.2 | Low | 36 Ų | 36 | 64.4 Ų | 64.4 | 19% | 0.193 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 178.4 | -26.9 | -36.2 | 0 | 0 | 0 | 110.9 | T312 G313 P314 E318 N319 I320 Y369 | T312-D316 WeakPolarHBondContact CB-OD1 3.32Å; T312-D316 WeakPolarHBondContact CB-OD2 3.22Å; T312-D316 PolarHBondContact OG1-OD2 2.94Å; G313-D316 PolarHBondContact O-N 3.48Å; G313-D316 VanDerWaalsContact O-OD1 3.11Å; P314-D316 PolarHBondContact O-N 3.33Å; D316-E318 VanDerWaalsContact C-N 3.32Å; D316-N319 WeakPolarHBondContact O-CB 3.33Å; D316-N319 PolarHBondContact O-N 2.93Å; D316-I320 WeakPolarHBondContact O-CG1 3.37Å; D316-I320 PolarHBondContact O-N 3.44Å; D316-Y369 PolarHBondContact OD2-OH 2.86Å |
| 317 | V | 64.4 | Low | 58.5 | Low | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.9 | -35 | 178.6 | -170.8 | 0 | 0 | 0 | 0 | 110.5 | P314 K315 N319 I320 K321 Y369 A372 Y373 A376 | P314-V317 WeakPolarHBondContact O-CB 3.43Å; P314-V317 PolarHBondContact O-N 3.01Å; P314-V317 VanDerWaalsContact O-N 3.11Å; K315-V317 PolarHBondContact O-N 3.28Å; V317-N319 VanDerWaalsContact C-N 3.33Å; V317-N319 PolarHBondContact O-N 3.25Å; V317-I320 PolarHBondContact O-N 2.97Å; V317-K321 WeakPolarHBondContact O-CB 3.33Å; V317-K321 PolarHBondContact O-N 2.84Å; V317-Y369 HydrophobicContact CG2-CE1 4.42Å; V317-Y369 HydrophobicContact CG2-CE2 4.12Å; V317-A372 HydrophobicContact CB-CB 3.9Å; V317-A372 HydrophobicContact CG1-CB 4.06Å; V317-A372 WeakPolarHBondContact CG1-O 3.16Å; V317-A372 HydrophobicContact CG2-CB 4.03Å; V317-Y373 HydrophobicContact CG1-CD1 3.94Å; V317-Y373 HydrophobicContact CG1-CD2 4.09Å; V317-Y373 HydrophobicContact CG1-CE1 4.15Å; V317-Y373 HydrophobicContact CG1-CE2 4.28Å; V317-Y373 HydrophobicContact CG1-CG 3.91Å; V317-Y373 HydrophobicContact CG2-CD2 3.82Å; V317-Y373 HydrophobicContact CG2-CE1 4.44Å; V317-Y373 HydrophobicContact CG2-CE2 3.43Å; V317-Y373 VanDerWaalsContact CG2-CE2 3.43Å; V317-Y373 HydrophobicContact CG2-CG 4.46Å; V317-A376 HydrophobicContact CG1-CB 4.15Å |
| 318 | E | 64.3 | Low | 57.9 | Low | 74 Ų | 74 | 70 Ų | 70 | 35% | 0.346 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 172.7 | -173.1 | 59.5 | -153.2 | 0 | 0 | 111.6 | P314 K315 D316 K321 Q322 | P314-E318 PolarHBondContact O-N 3.44Å; K315-E318 WeakPolarHBondContact O-CB 3.35Å; K315-E318 PolarHBondContact O-N 3.5Å; D316-E318 VanDerWaalsContact C-N 3.32Å; E318-K321 WeakPolarHBondContact O-CB 3.46Å; E318-K321 PolarHBondContact O-N 3.29Å; E318-K321 WeakPolarHBondContact OE1-CE 3.5Å; E318-K321 IonicContact OE1-NZ 3.7Å; E318-K321 PolarHBondContact OE1-NZ 2.85Å; E318-K321 WeakPolarHBondContact OE2-CE 3.25Å; E318-K321 IonicContact OE2-NZ 3.9Å; E318-K321 PolarHBondContact OE2-NZ 3.34Å; E318-Q322 WeakPolarHBondContact O-CB 3.4Å; E318-Q322 WeakPolarHBondContact O-CG 3.46Å; E318-Q322 PolarHBondContact O-N 2.95Å; E318-Q322 PolarHBondContact OE1-NE2 3.23Å |
| 319 | N | 59.7 | Low | 57.4 | Low | 103 Ų | 103 | 67.1 Ų | 67.1 | 55% | 0.551 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.3 | -40.6 | 174.4 | -66.8 | -28.9 | 0 | 0 | 0 | 111.9 | K315 D316 V317 K321 F323 | K315-N319 PolarHBondContact O-N 2.91Å; D316-N319 WeakPolarHBondContact O-CB 3.33Å; D316-N319 PolarHBondContact O-N 2.93Å; V317-N319 VanDerWaalsContact C-N 3.33Å; V317-N319 PolarHBondContact O-N 3.25Å; N319-K321 VanDerWaalsContact C-N 3.35Å; N319-F323 VanDerWaalsContact O-CB 3.29Å; N319-F323 WeakPolarHBondContact O-CB 3.26Å; N319-F323 PolarHBondContact O-N 3.16Å |
| 320 | I | 61.3 | Low | 56.7 | Low | 10 Ų | 10 | 66.5 Ų | 66.5 | 5% | 0.051 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 174.2 | -67.3 | 168.4 | 0 | 0 | 0 | 110 | A299 V300 D316 V317 F323 L324 L340 | A299-I320 HydrophobicContact CB-CD1 4.44Å; A299-I320 HydrophobicContact CB-CG1 4.12Å; V300-I320 HydrophobicContact CG2-CD1 4.2Å; V300-I320 HydrophobicContact CG2-CG2 4.22Å; D316-I320 WeakPolarHBondContact O-CG1 3.37Å; D316-I320 PolarHBondContact O-N 3.44Å; V317-I320 PolarHBondContact O-N 2.97Å; I320-F323 WeakPolarHBondContact O-CB 3.37Å; I320-F323 PolarHBondContact O-N 3.45Å; I320-L324 HydrophobicContact CG2-CD1 3.79Å; I320-L324 HydrophobicContact CG2-CG 4.43Å; I320-L324 WeakPolarHBondContact O-CG 3.43Å; I320-L324 PolarHBondContact O-N 2.94Å; I320-L340 HydrophobicContact CG2-CD2 3.94Å |
| 321 | K | 63.5 | Low | 55.9 | Low | 30 Ų | 30 | 66.9 Ų | 66.9 | 13% | 0.13 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.9 | -52.9 | 177.3 | -173.1 | -172 | 84.3 | -177.9 | 0 | 111.4 | V317 E318 N319 F323 L324 C325 A376 D379 | V317-K321 WeakPolarHBondContact O-CB 3.33Å; V317-K321 PolarHBondContact O-N 2.84Å; E318-K321 WeakPolarHBondContact O-CB 3.46Å; E318-K321 PolarHBondContact O-N 3.29Å; E318-K321 WeakPolarHBondContact OE1-CE 3.5Å; E318-K321 IonicContact OE1-NZ 3.7Å; E318-K321 PolarHBondContact OE1-NZ 2.85Å; E318-K321 WeakPolarHBondContact OE2-CE 3.25Å; E318-K321 IonicContact OE2-NZ 3.9Å; E318-K321 PolarHBondContact OE2-NZ 3.34Å; N319-K321 VanDerWaalsContact C-N 3.35Å; K321-F323 VanDerWaalsContact C-N 3.32Å; K321-F323 PolarHBondContact O-N 3.36Å; K321-L324 PolarHBondContact O-N 3.11Å; K321-L324 VanDerWaalsContact O-N 3.11Å; K321-C325 PolarHBondContact O-N 3.43Å; K321-C325 PolarHBondContact O-SG 3.18Å; K321-C325 VanDerWaalsContact O-SG 3.37Å; K321-A376 HydrophobicContact CB-CB 3.81Å; K321-A376 HydrophobicContact CD-CB 4.03Å; K321-A376 HydrophobicContact CG-CB 3.84Å; K321-D379 HydrophobicContact CD-CB 3.93Å; K321-D379 VanDerWaalsContact CD-OD2 3.23Å; K321-D379 WeakPolarHBondContact CD-OD2 3.44Å; K321-D379 VanDerWaalsContact CE-OD2 3.31Å; K321-D379 WeakPolarHBondContact CE-OD2 3.43Å; K321-D379 IonicContact NZ-OD2 2.99Å; K321-D379 PolarHBondContact NZ-OD2 3.2Å |
| 322 | Q | 59.6 | Low | 55.7 | Low | 81 Ų | 81 | 62.5 Ų | 62.5 | 38% | 0.379 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.6 | -48.6 | 178.2 | -76.7 | -178.4 | 9.1 | 0 | 0 | 110.8 | E318 L324 C325 Y326 | E318-Q322 WeakPolarHBondContact O-CB 3.4Å; E318-Q322 WeakPolarHBondContact O-CG 3.46Å; E318-Q322 PolarHBondContact O-N 2.95Å; E318-Q322 PolarHBondContact OE1-NE2 3.23Å; Q322-L324 VanDerWaalsContact C-N 3.33Å; Q322-L324 PolarHBondContact O-N 3.06Å; Q322-C325 PolarHBondContact O-N 3.24Å; Q322-Y326 VanDerWaalsContact C-CD2 3.48Å; Q322-Y326 HydrophobicContact CB-CD2 4.27Å; Q322-Y326 HydrophobicContact CB-CE2 3.93Å; Q322-Y326 WeakPolarHBondContact O-CD2 3.33Å; Q322-Y326 PolarHBondContact O-N 3.48Å |
| 323 | F | 56.2 | Low | 55.7 | Low | 72 Ų | 72 | 59.8 Ų | 59.8 | 32% | 0.316 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -51.9 | -51.6 | 174.4 | 175.5 | -110.1 | 0 | 0 | 0 | 111.1 | L287 K295 N319 I320 K321 C325 Y326 I327 | L287-F323 HydrophobicContact CD1-CE2 4.04Å; L287-F323 HydrophobicContact CD1-CZ 3.75Å; K295-F323 HydrophobicContact CB-CZ 4.4Å; N319-F323 VanDerWaalsContact O-CB 3.29Å; N319-F323 WeakPolarHBondContact O-CB 3.26Å; N319-F323 PolarHBondContact O-N 3.16Å; I320-F323 WeakPolarHBondContact O-CB 3.37Å; I320-F323 PolarHBondContact O-N 3.45Å; K321-F323 VanDerWaalsContact C-N 3.32Å; K321-F323 PolarHBondContact O-N 3.36Å; F323-C325 PolarHBondContact O-N 3.19Å; F323-Y326 PolarHBondContact O-N 3.06Å; F323-Y326 VanDerWaalsContact O-N 3.11Å; F323-I327 HydrophobicContact CD1-CD1 3.69Å; F323-I327 HydrophobicContact CD1-CG1 4.31Å; F323-I327 HydrophobicContact CD2-CD1 4.5Å; F323-I327 HydrophobicContact CD2-CG1 4.46Å; F323-I327 HydrophobicContact CE1-CD1 3.27Å; F323-I327 HydrophobicContact CE1-CG1 4.2Å; F323-I327 HydrophobicContact CE2-CD1 4.15Å; F323-I327 HydrophobicContact CE2-CG1 4.34Å; F323-I327 HydrophobicContact CG-CD1 4.29Å; F323-I327 HydrophobicContact CG-CG1 4.44Å; F323-I327 HydrophobicContact CZ-CD1 3.54Å; F323-I327 HydrophobicContact CZ-CG1 4.21Å; F323-I327 WeakPolarHBondContact O-CG1 3.12Å; F323-I327 PolarHBondContact O-N 3.41Å |
| 324 | L | 55.4 | Low | 55.4 | Low | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.2 | -40.4 | -179.1 | -67.6 | 167 | 0 | 0 | 0 | 113.8 | M296 I320 K321 Q322 Y326 I327 L329 C336 L340 I380 | M296-L324 HydrophobicContact CB-CD2 4.36Å; M296-L324 HydrophobicContact CE-CD1 3.43Å; M296-L324 VanDerWaalsContact CE-CD1 3.43Å; M296-L324 HydrophobicContact CE-CD2 3.9Å; M296-L324 HydrophobicContact CE-CG 4.3Å; M296-L324 HydrophobicContact CG-CD2 3.96Å; M296-L324 HydrophobicContact SD-CD1 4.14Å; M296-L324 HydrophobicContact SD-CD2 3.43Å; M296-L324 WeakPolarHBondContact SD-CD2 3.47Å; M296-L324 HydrophobicContact SD-CG 4.4Å; I320-L324 HydrophobicContact CG2-CD1 3.79Å; I320-L324 HydrophobicContact CG2-CG 4.43Å; I320-L324 WeakPolarHBondContact O-CG 3.43Å; I320-L324 PolarHBondContact O-N 2.94Å; K321-L324 PolarHBondContact O-N 3.11Å; K321-L324 VanDerWaalsContact O-N 3.11Å; Q322-L324 VanDerWaalsContact C-N 3.33Å; Q322-L324 PolarHBondContact O-N 3.06Å; L324-Y326 VanDerWaalsContact C-N 3.29Å; L324-Y326 PolarHBondContact O-N 3.24Å; L324-I327 HydrophobicContact CD2-CD1 4.08Å; L324-L329 HydrophobicContact CD2-CD1 4.45Å; L324-L329 HydrophobicContact CD2-CD2 4.22Å; L324-C336 HydrophobicContact CD2-CB 4.43Å; L324-L340 HydrophobicContact CD1-CD1 3.89Å; L324-L340 HydrophobicContact CD1-CD2 4.13Å; L324-L340 HydrophobicContact CD1-CG 4.31Å; L324-I380 HydrophobicContact CB-CD1 3.78Å; L324-I380 HydrophobicContact CB-CG1 4.44Å; L324-I380 HydrophobicContact CD1-CD1 3.63Å; L324-I380 HydrophobicContact CG-CD1 4.35Å |
| 325 | C | 55.2 | Low | 55.1 | Low | 64 Ų | 64 | 60.3 Ų | 60.3 | 43% | 0.432 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 173.4 | -68.4 | 0 | 0 | 0 | 0 | 111.3 | K321 Q322 F323 R328 | K321-C325 PolarHBondContact O-N 3.43Å; K321-C325 PolarHBondContact O-SG 3.18Å; K321-C325 VanDerWaalsContact O-SG 3.37Å; Q322-C325 PolarHBondContact O-N 3.24Å; F323-C325 PolarHBondContact O-N 3.19Å; C325-R328 PolarHBondContact O-N 3.48Å |
| 326 | Y | 50.1 | Low | 54.9 | Low | 92 Ų | 92 | 52.1 Ų | 52.1 | 36% | 0.361 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72.1 | -36 | -179.2 | -72.7 | -55.1 | 0 | 0 | 0 | 113.9 | Q322 F323 L324 R328 | Q322-Y326 VanDerWaalsContact C-CD2 3.48Å; Q322-Y326 HydrophobicContact CB-CD2 4.27Å; Q322-Y326 HydrophobicContact CB-CE2 3.93Å; Q322-Y326 WeakPolarHBondContact O-CD2 3.33Å; Q322-Y326 PolarHBondContact O-N 3.48Å; F323-Y326 PolarHBondContact O-N 3.06Å; F323-Y326 VanDerWaalsContact O-N 3.11Å; L324-Y326 VanDerWaalsContact C-N 3.29Å; L324-Y326 PolarHBondContact O-N 3.24Å; Y326-R328 PolarHBondContact O-N 2.73Å |
| 327 | I | 45.7 | Very low | 54.8 | Low | 12 Ų | 12 | 50.5 Ų | 50.5 | 6% | 0.062 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -6.9 | 178.5 | -0.6 | 170.1 | 0 | 0 | 0 | 113.3 | L287 A292 F323 L324 | L287-I327 HydrophobicContact CB-CG2 3.72Å; L287-I327 HydrophobicContact CD1-CG2 3.75Å; L287-I327 HydrophobicContact CG-CG2 3.85Å; A292-I327 HydrophobicContact CB-CD1 3.97Å; F323-I327 HydrophobicContact CD1-CD1 3.69Å; F323-I327 HydrophobicContact CD1-CG1 4.31Å; F323-I327 HydrophobicContact CD2-CD1 4.5Å; F323-I327 HydrophobicContact CD2-CG1 4.46Å; F323-I327 HydrophobicContact CE1-CD1 3.27Å; F323-I327 HydrophobicContact CE1-CG1 4.2Å; F323-I327 HydrophobicContact CE2-CD1 4.15Å; F323-I327 HydrophobicContact CE2-CG1 4.34Å; F323-I327 HydrophobicContact CG-CD1 4.29Å; F323-I327 HydrophobicContact CG-CG1 4.44Å; F323-I327 HydrophobicContact CZ-CD1 3.54Å; F323-I327 HydrophobicContact CZ-CG1 4.21Å; F323-I327 WeakPolarHBondContact O-CG1 3.12Å; F323-I327 PolarHBondContact O-N 3.41Å; L324-I327 HydrophobicContact CD2-CD1 4.08Å |
| 328 | R | 45.2 | Very low | 54.5 | Low | 163 Ų | 163 | 52.4 Ų | 52.4 | 62% | 0.615 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 39.5 | 82.6 | -175 | -71.3 | -174.8 | 172.1 | -178.5 | -2.1 | 110.4 | C325 Y326 T330 | C325-R328 PolarHBondContact O-N 3.48Å; Y326-R328 PolarHBondContact O-N 2.73Å; R328-T330 HydrophobicContact CB-CG2 4.11Å; R328-T330 WeakPolarHBondContact O-CA 3.29Å; R328-T330 VanDerWaalsContact O-CB 3.31Å; R328-T330 WeakPolarHBondContact O-CB 2.87Å; R328-T330 VanDerWaalsContact O-CG2 3.3Å; R328-T330 WeakPolarHBondContact O-CG2 3.28Å; R328-T330 PolarHBondContact O-N 2.84Å; R328-T330 PolarHBondContact O-OG1 3.35Å |
| 329 | L | 47.6 | Very low | 54.3 | Low | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | trans | -51.7 | 52.4 | -175.5 | -69.3 | 172.1 | 0 | 0 | 0 | 115.2 | L324 Q331 P333 C336 I380 | L324-L329 HydrophobicContact CD2-CD1 4.45Å; L324-L329 HydrophobicContact CD2-CD2 4.22Å; L329-Q331 VanDerWaalsContact C-N 3.29Å; L329-Q331 PolarHBondContact O-N 2.8Å; L329-P333 HydrophobicContact CB-CB 4.32Å; L329-C336 HydrophobicContact CD1-CB 3.82Å; L329-C336 HydrophobicContact CD2-CB 3.99Å; L329-C336 WeakPolarHBondContact CD2-SG 3.49Å; L329-I380 HydrophobicContact CD1-CG2 3.96Å | ||
| 330 | T | 41.5 | Very low | 54.5 | Low | 42 Ų | 42 | 45.5 Ų | 45.5 | 26% | 0.258 | 22% | 0.217 | S | C | . | . | trans | -76.5 | -20.1 | -156.4 | 33.2 | 0 | 0 | 0 | 0 | 110.9 | R328 R386 | R328-T330 HydrophobicContact CB-CG2 4.11Å; R328-T330 WeakPolarHBondContact O-CA 3.29Å; R328-T330 VanDerWaalsContact O-CB 3.31Å; R328-T330 WeakPolarHBondContact O-CB 2.87Å; R328-T330 VanDerWaalsContact O-CG2 3.3Å; R328-T330 WeakPolarHBondContact O-CG2 3.28Å; R328-T330 PolarHBondContact O-N 2.84Å; R328-T330 PolarHBondContact O-OG1 3.35Å; T330-R386 WeakPolarHBondContact O-CD 2.88Å; T330-R386 PolarHBondContact O-NH1 3.3Å | ||
| 331 | Q | 43.5 | Very low | 54.6 | Low | 78 Ų | 78 | 45.6 Ų | 45.6 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -107.7 | -33.4 | 179.5 | -31.2 | 177.4 | -48.4 | 0 | 0 | 114.7 | C289 L329 | C289-Q331 WeakPolarHBondContact SG-CB 3.33Å; C289-Q331 VanDerWaalsContact SG-CG 3.6Å; C289-Q331 PolarHBondContact SG-OE1 3.4Å; L329-Q331 VanDerWaalsContact C-N 3.29Å; L329-Q331 PolarHBondContact O-N 2.8Å |
| 332 | R | 48.2 | Very low | 54.4 | Low | 115 Ų | 115 | 46.9 Ų | 46.9 | 43% | 0.434 | 23% | 0.228 | S | C | . | . | trans | -148.1 | 83.8 | -179.8 | -62.7 | -170.9 | -176.2 | -179.5 | 3.4 | 112 | L334 P335 | R332-L334 VanDerWaalsContact C-N 3.3Å; R332-P335 HydrophobicContact CB-CG 4.07Å; R332-P335 WeakPolarHBondContact O-CD 3.3Å | ||
| 333 | P | 58.1 | Low | 54.6 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.9 | -30.6 | 174.3 | 26.9 | -32.2 | 0 | 0 | 0 | 112.1 | L329 C336 L337 A387 D390 | L329-P333 HydrophobicContact CB-CB 4.32Å; P333-C336 WeakPolarHBondContact O-CB 3.31Å; P333-C336 PolarHBondContact O-N 3.31Å; P333-C336 VanDerWaalsContact O-N 3.13Å; P333-L337 HydrophobicContact CB-CD1 4.48Å; P333-L337 WeakPolarHBondContact O-CG 3.26Å; P333-L337 PolarHBondContact O-N 2.84Å; P333-A387 HydrophobicContact CB-CB 3.81Å; P333-A387 HydrophobicContact CG-CB 4.32Å; P333-D390 WeakPolarHBondContact CD-OD2 3.44Å; P333-D390 HydrophobicContact CG-CB 4.11Å; P333-D390 VanDerWaalsContact CG-OD2 3.28Å; P333-D390 WeakPolarHBondContact CG-OD2 3.29Å |
| 334 | L | 55.7 | Low | 55 | Low | 61 Ų | 61 | 39.6 Ų | 39.6 | 32% | 0.319 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.1 | -48.6 | -173.9 | -160.3 | 97.8 | 0 | 0 | 0 | 114.7 | R332 C336 L337 S338 D390 R393 | R332-L334 VanDerWaalsContact C-N 3.3Å; L334-C336 VanDerWaalsContact C-N 3.27Å; L334-C336 PolarHBondContact O-N 2.95Å; L334-L337 PolarHBondContact O-N 3.24Å; L334-S338 VanDerWaalsContact O-CB 3.26Å; L334-S338 WeakPolarHBondContact O-CB 3.3Å; L334-S338 PolarHBondContact O-N 2.78Å; L334-D390 HydrophobicContact CD1-CB 3.99Å; L334-D390 WeakPolarHBondContact CD1-O 3.26Å; L334-R393 HydrophobicContact CD1-CB 4.21Å |
| 335 | P | 53.3 | Low | 55.1 | Low | 44 Ų | 44 | 43.6 Ų | 43.6 | 29% | 0.286 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.9 | -34.7 | 176.8 | -22.8 | 35.5 | 0 | 0 | 0 | 113 | V293 R332 L339 | V293-P335 HydrophobicContact CG1-CB 4.38Å; V293-P335 HydrophobicContact CG2-CB 3.97Å; R332-P335 HydrophobicContact CB-CG 4.07Å; R332-P335 WeakPolarHBondContact O-CD 3.3Å; P335-L339 WeakPolarHBondContact O-CG 3.38Å; P335-L339 PolarHBondContact O-N 2.89Å |
| 336 | C | 59.9 | Low | 55.4 | Low | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.2 | -48.8 | 179.1 | -65.3 | 0 | 0 | 0 | 0 | 111.3 | M296 L324 L329 P333 L334 S338 L339 L340 | M296-C336 HydrophobicContact CE-CB 3.81Å; M296-C336 WeakPolarHBondContact CE-O 3.34Å; M296-C336 WeakPolarHBondContact SD-CA 3.44Å; M296-C336 HydrophobicContact SD-CB 3.39Å; M296-C336 WeakPolarHBondContact SD-CB 3.24Å; M296-C336 PolarHBondContact SD-SG 2.84Å; L324-C336 HydrophobicContact CD2-CB 4.43Å; L329-C336 HydrophobicContact CD1-CB 3.82Å; L329-C336 HydrophobicContact CD2-CB 3.99Å; L329-C336 WeakPolarHBondContact CD2-SG 3.49Å; P333-C336 WeakPolarHBondContact O-CB 3.31Å; P333-C336 PolarHBondContact O-N 3.31Å; P333-C336 VanDerWaalsContact O-N 3.13Å; L334-C336 VanDerWaalsContact C-N 3.27Å; L334-C336 PolarHBondContact O-N 2.95Å; C336-S338 VanDerWaalsContact C-N 3.26Å; C336-S338 PolarHBondContact O-N 2.82Å; C336-L339 PolarHBondContact O-N 3.43Å; C336-L339 VanDerWaalsContact O-N 3.17Å; C336-L340 PolarHBondContact O-N 2.81Å |
| 337 | L | 62.1 | Low | 56 | Low | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.6 | -40.3 | 174 | -64.8 | 174.1 | 0 | 0 | 0 | 111.4 | P333 L334 L339 L340 H341 I377 I380 I381 A387 | P333-L337 HydrophobicContact CB-CD1 4.48Å; P333-L337 WeakPolarHBondContact O-CG 3.26Å; P333-L337 PolarHBondContact O-N 2.84Å; L334-L337 PolarHBondContact O-N 3.24Å; L337-L339 PolarHBondContact O-N 2.69Å; L337-L340 PolarHBondContact O-N 3.5Å; L337-H341 WeakPolarHBondContact O-CB 3.4Å; L337-H341 PolarHBondContact O-N 2.81Å; L337-I377 HydrophobicContact CD2-CG2 4.24Å; L337-I380 HydrophobicContact CD2-CB 4.4Å; L337-I380 HydrophobicContact CD2-CG2 3.98Å; L337-I381 HydrophobicContact CD1-CD1 4.28Å; L337-I381 HydrophobicContact CD1-CG1 4.1Å; L337-I381 HydrophobicContact CD2-CD1 4.23Å; L337-I381 HydrophobicContact CD2-CG1 4.01Å; L337-A387 HydrophobicContact CD1-CB 4.36Å |
| 338 | S | 58.3 | Low | 56.8 | Low | 41 Ų | 41 | 40.8 Ų | 40.8 | 29% | 0.287 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 176.2 | -175.2 | 0 | 0 | 0 | 0 | 113.2 | L334 C336 H341 T342 F394 | L334-S338 VanDerWaalsContact O-CB 3.26Å; L334-S338 WeakPolarHBondContact O-CB 3.3Å; L334-S338 PolarHBondContact O-N 2.78Å; C336-S338 VanDerWaalsContact C-N 3.26Å; C336-S338 PolarHBondContact O-N 2.82Å; S338-H341 PolarHBondContact O-N 3.35Å; S338-T342 WeakPolarHBondContact O-CB 3.42Å; S338-T342 PolarHBondContact O-N 2.94Å; S338-T342 PolarHBondContact O-OG1 2.64Å; S338-F394 VanDerWaalsContact CB-CE2 3.49Å; S338-F394 WeakPolarHBondContact OG-CE2 3.06Å |
| 339 | L | 60.4 | Low | 57.5 | Low | 32 Ų | 32 | 36.3 Ų | 36.3 | 17% | 0.168 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.2 | -44.9 | 176.5 | -77.9 | 169.7 | 0 | 0 | 0 | 112.1 | V293 M296 R297 P335 C336 L337 H341 T342 A343 | V293-L339 HydrophobicContact CG1-CD1 4.04Å; M296-L339 HydrophobicContact CE-CB 4.08Å; M296-L339 HydrophobicContact CG-CD1 4.36Å; M296-L339 HydrophobicContact SD-CB 4.45Å; M296-L339 HydrophobicContact SD-CD1 4.15Å; R297-L339 HydrophobicContact CB-CD1 4.15Å; R297-L339 HydrophobicContact CB-CD2 4.46Å; R297-L339 HydrophobicContact CG-CD2 4.24Å; P335-L339 WeakPolarHBondContact O-CG 3.38Å; P335-L339 PolarHBondContact O-N 2.89Å; C336-L339 PolarHBondContact O-N 3.43Å; C336-L339 VanDerWaalsContact O-N 3.17Å; L337-L339 PolarHBondContact O-N 2.69Å; L339-H341 VanDerWaalsContact C-N 3.32Å; L339-H341 PolarHBondContact O-N 3.11Å; L339-T342 PolarHBondContact O-N 3.4Å; L339-A343 PolarHBondContact O-N 3.04Å |
| 340 | L | 63.9 | Low | 58.1 | Low | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 175.3 | -65.9 | 174.2 | 0 | 0 | 0 | 111.1 | M296 V300 I320 L324 C336 L337 A343 A344 Y373 I377 I380 | M296-L340 HydrophobicContact CE-CD1 4.08Å; M296-L340 HydrophobicContact CE-CD2 3.68Å; M296-L340 HydrophobicContact CE-CG 3.43Å; M296-L340 VanDerWaalsContact CE-CG 3.43Å; V300-L340 HydrophobicContact CG2-CD2 4.25Å; I320-L340 HydrophobicContact CG2-CD2 3.94Å; L324-L340 HydrophobicContact CD1-CD1 3.89Å; L324-L340 HydrophobicContact CD1-CD2 4.13Å; L324-L340 HydrophobicContact CD1-CG 4.31Å; C336-L340 PolarHBondContact O-N 2.81Å; L337-L340 PolarHBondContact O-N 3.5Å; L340-A343 PolarHBondContact O-N 3.39Å; L340-A344 WeakPolarHBondContact O-CB 3.36Å; L340-A344 PolarHBondContact O-N 3.47Å; L340-Y373 HydrophobicContact CB-CD1 4.37Å; L340-Y373 HydrophobicContact CD2-CD1 3.81Å; L340-Y373 HydrophobicContact CD2-CE1 4.01Å; L340-I377 HydrophobicContact CB-CD1 3.77Å; L340-I377 HydrophobicContact CB-CG1 3.5Å; L340-I377 HydrophobicContact CD1-CG1 3.78Å; L340-I377 HydrophobicContact CG-CG1 4.29Å; L340-I380 HydrophobicContact CD1-CD1 3.63Å |
| 341 | H | 63.2 | Low | 58.8 | Low | 13 Ų | 13 | 38.5 Ų | 38.5 | 6% | 0.06 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61 | -45.9 | 176.3 | 177.2 | -125.1 | 0 | 0 | 0 | 112.3 | L337 S338 L339 A343 A344 K345 W374 I377 F394 F396 C397 | L337-H341 WeakPolarHBondContact O-CB 3.4Å; L337-H341 PolarHBondContact O-N 2.81Å; S338-H341 PolarHBondContact O-N 3.35Å; L339-H341 VanDerWaalsContact C-N 3.32Å; L339-H341 PolarHBondContact O-N 3.11Å; H341-A343 VanDerWaalsContact C-N 3.27Å; H341-A343 PolarHBondContact O-N 3.37Å; H341-A344 PolarHBondContact O-N 2.89Å; H341-K345 WeakPolarHBondContact O-CB 3.43Å; H341-K345 PolarHBondContact O-N 3.06Å; H341-W374 AromaticContact CD2-CH2 3.44Å; H341-W374 VanDerWaalsContact CD2-CH2 3.44Å; H341-W374 WeakPolarHBondContact CD2-CH2 3.36Å; H341-W374 AromaticContact CD2-CZ2 3.9Å; H341-W374 AromaticContact NE2-CH2 3.85Å; H341-I377 HydrophobicContact CB-CD1 4.42Å; H341-F394 HydrophobicContact CB-CE1 3.74Å; H341-F394 HydrophobicContact CB-CZ 4Å; H341-F394 AromaticContact CE1-CE1 3.94Å; H341-F394 AromaticContact CG-CE1 3.57Å; H341-F394 AromaticContact ND1-CE1 3.28Å; H341-F394 VanDerWaalsContact ND1-CE1 3.28Å; H341-F394 WeakPolarHBondContact ND1-CE1 3.25Å; H341-F394 AromaticContact ND1-CZ 3.48Å; H341-F394 WeakPolarHBondContact ND1-CZ 3.34Å; H341-F396 HydrophobicContact CB-CD1 4.12Å; H341-F396 HydrophobicContact CB-CE1 3.8Å; H341-F396 AromaticContact CD2-CD1 3.26Å; H341-F396 WeakPolarHBondContact CD2-CD1 3.37Å; H341-F396 AromaticContact CD2-CE1 3.84Å; H341-F396 AromaticContact CG-CD1 3.63Å; H341-F396 AromaticContact CG-CE1 3.85Å; H341-F396 AromaticContact NE2-CD1 3.63Å; H341-C397 PolarHBondContact NE2-N 2.75Å |
| 342 | T | 59.5 | Low | 59.3 | Low | 56 Ų | 56 | 38 Ų | 38 | 34% | 0.344 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 179.2 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | S338 L339 K345 M346 | S338-T342 WeakPolarHBondContact O-CB 3.42Å; S338-T342 PolarHBondContact O-N 2.94Å; S338-T342 PolarHBondContact O-OG1 2.64Å; L339-T342 PolarHBondContact O-N 3.4Å; T342-K345 PolarHBondContact O-N 3.12Å; T342-M346 HydrophobicContact CG2-SD 4.29Å; T342-M346 WeakPolarHBondContact O-CB 3.33Å; T342-M346 WeakPolarHBondContact O-CG 3.48Å; T342-M346 PolarHBondContact O-N 2.82Å |
| 343 | A | 63.1 | Low | 59.5 | Low | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -49.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | V300 V304 L339 L340 H341 K345 M346 I347 Y373 | V300-A343 HydrophobicContact CG1-CB 3.42Å; V300-A343 VanDerWaalsContact CG1-CB 3.42Å; V304-A343 HydrophobicContact CG2-CB 3.93Å; L339-A343 PolarHBondContact O-N 3.04Å; L340-A343 PolarHBondContact O-N 3.39Å; H341-A343 VanDerWaalsContact C-N 3.27Å; H341-A343 PolarHBondContact O-N 3.37Å; A343-K345 VanDerWaalsContact C-N 3.25Å; A343-K345 PolarHBondContact O-N 3.24Å; A343-M346 PolarHBondContact O-N 2.88Å; A343-M346 VanDerWaalsContact O-N 3.1Å; A343-I347 WeakPolarHBondContact O-CD1 3.3Å; A343-I347 WeakPolarHBondContact O-CG1 3.49Å; A343-I347 PolarHBondContact O-N 3.23Å; A343-Y373 HydrophobicContact CB-CD1 4.06Å; A343-Y373 HydrophobicContact CB-CE1 3.69Å |
| 344 | A | 64.3 | Low | 59.3 | Low | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54.4 | -44.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | L340 H341 Y348 C370 Y373 W374 | L340-A344 WeakPolarHBondContact O-CB 3.36Å; L340-A344 PolarHBondContact O-N 3.47Å; H341-A344 PolarHBondContact O-N 2.89Å; A344-Y348 WeakPolarHBondContact O-CB 3.32Å; A344-Y348 PolarHBondContact O-N 3.4Å; A344-Y348 VanDerWaalsContact O-N 3.08Å; A344-C370 PolarHBondContact O-SG 2.89Å; A344-Y373 HydrophobicContact CB-CG 4.46Å; A344-W374 HydrophobicContact CB-CZ2 4.42Å |
| 345 | K | 59.1 | Low | 59.1 | Low | 87 Ų | 87 | 42.1 Ų | 42.1 | 38% | 0.378 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.4 | -41.9 | 176.6 | -173.6 | 175.4 | -178.5 | 174.3 | 0 | 112.6 | H341 T342 A343 Y348 N349 | H341-K345 WeakPolarHBondContact O-CB 3.43Å; H341-K345 PolarHBondContact O-N 3.06Å; T342-K345 PolarHBondContact O-N 3.12Å; A343-K345 VanDerWaalsContact C-N 3.25Å; A343-K345 PolarHBondContact O-N 3.24Å; K345-Y348 PolarHBondContact O-N 3.33Å; K345-N349 WeakPolarHBondContact O-CB 3.42Å; K345-N349 VanDerWaalsContact O-CG 3.26Å; K345-N349 PolarHBondContact O-N 3.3Å; K345-N349 PolarHBondContact O-OD1 3.27Å |
| 346 | M | 60.1 | Low | 59.1 | Low | 81 Ų | 81 | 44.8 Ų | 44.8 | 40% | 0.399 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.7 | -42.2 | 179.4 | -81.8 | -176 | 54.4 | 0 | 0 | 112.9 | W301 T342 A343 Y348 N349 K350 | W301-M346 HydrophobicContact CH2-CE 3.63Å; W301-M346 HydrophobicContact CH2-SD 3.16Å; W301-M346 WeakPolarHBondContact CH2-SD 3.46Å; W301-M346 HydrophobicContact CZ2-CE 4.22Å; W301-M346 HydrophobicContact CZ2-SD 4.01Å; W301-M346 HydrophobicContact CZ3-CE 3.99Å; W301-M346 HydrophobicContact CZ3-SD 3.81Å; T342-M346 HydrophobicContact CG2-SD 4.29Å; T342-M346 WeakPolarHBondContact O-CB 3.33Å; T342-M346 WeakPolarHBondContact O-CG 3.48Å; T342-M346 PolarHBondContact O-N 2.82Å; A343-M346 PolarHBondContact O-N 2.88Å; A343-M346 VanDerWaalsContact O-N 3.1Å; M346-Y348 VanDerWaalsContact C-N 3.26Å; M346-Y348 PolarHBondContact O-N 3.38Å; M346-N349 PolarHBondContact O-N 3.3Å; M346-K350 WeakPolarHBondContact O-CB 3.46Å; M346-K350 WeakPolarHBondContact O-CG 3.05Å; M346-K350 PolarHBondContact O-N 3.49Å |
| 347 | I | 63.5 | Low | 58.8 | Low | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59 | -43.7 | 173.7 | -69.5 | 154.9 | 0 | 0 | 0 | 109.6 | V304 Y307 A343 K350 T351 V366 Y369 C370 Y373 | V304-I347 HydrophobicContact CG2-CD1 4.03Å; V304-I347 HydrophobicContact CG2-CG1 4.21Å; Y307-I347 HydrophobicContact CD1-CG1 4.39Å; Y307-I347 HydrophobicContact CD1-CG2 4.33Å; Y307-I347 HydrophobicContact CE1-CG2 3.99Å; A343-I347 WeakPolarHBondContact O-CD1 3.3Å; A343-I347 WeakPolarHBondContact O-CG1 3.49Å; A343-I347 PolarHBondContact O-N 3.23Å; I347-K350 WeakPolarHBondContact O-CB 3.25Å; I347-K350 PolarHBondContact O-N 3.22Å; I347-T351 PolarHBondContact O-N 3.18Å; I347-T351 PolarHBondContact O-OG1 3.44Å; I347-V366 HydrophobicContact CG2-CG1 3.72Å; I347-V366 WeakPolarHBondContact O-CG1 3.1Å; I347-Y369 HydrophobicContact CD1-CD1 3.45Å; I347-Y369 VanDerWaalsContact CD1-CD1 3.45Å; I347-Y369 HydrophobicContact CD1-CE1 3.65Å; I347-Y369 HydrophobicContact CG1-CD1 4.05Å; I347-Y369 HydrophobicContact CG1-CE1 4.39Å; I347-Y369 HydrophobicContact CG2-CD1 4.12Å; I347-C370 HydrophobicContact CG2-CB 4.26Å; I347-Y373 HydrophobicContact CD1-CD2 3.57Å; I347-Y373 HydrophobicContact CD1-CE2 3.22Å |
| 348 | Y | 62.1 | Low | 58.5 | Low | 27 Ų | 27 | 55.5 Ų | 55.5 | 11% | 0.106 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 179.7 | -159.4 | -88.3 | 0 | 0 | 0 | 113.6 | A344 K345 M346 K350 T351 D352 C370 F401 E405 | A344-Y348 WeakPolarHBondContact O-CB 3.32Å; A344-Y348 PolarHBondContact O-N 3.4Å; A344-Y348 VanDerWaalsContact O-N 3.08Å; K345-Y348 PolarHBondContact O-N 3.33Å; M346-Y348 VanDerWaalsContact C-N 3.26Å; M346-Y348 PolarHBondContact O-N 3.38Å; Y348-K350 VanDerWaalsContact C-N 3.29Å; Y348-K350 PolarHBondContact O-N 2.55Å; Y348-T351 VanDerWaalsContact C-OG1 3.27Å; Y348-T351 WeakPolarHBondContact CA-OG1 3.34Å; Y348-T351 VanDerWaalsContact O-CB 3.3Å; Y348-T351 WeakPolarHBondContact O-CB 3.5Å; Y348-T351 PolarHBondContact O-N 3.27Å; Y348-T351 VanDerWaalsContact O-N 3.11Å; Y348-T351 PolarHBondContact O-OG1 3.03Å; Y348-D352 PolarHBondContact O-N 3.22Å; Y348-C370 HydrophobicContact CD2-CB 4.34Å; Y348-F401 HydrophobicContact CE2-CE1 4.35Å; Y348-F401 WeakPolarHBondContact OH-CD1 3.43Å; Y348-E405 PolarHBondContact OH-OE1 3.46Å; Y348-E405 PolarHBondContact OH-OE2 2.96Å |
| 349 | N | 60.4 | Low | 58.6 | Low | 68 Ų | 68 | 58 Ų | 58 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.6 | -33.2 | 177.3 | -76.1 | -0.1 | 0 | 0 | 0 | 112.1 | K345 M346 T351 D352 E353 | K345-N349 WeakPolarHBondContact O-CB 3.42Å; K345-N349 VanDerWaalsContact O-CG 3.26Å; K345-N349 PolarHBondContact O-N 3.3Å; K345-N349 PolarHBondContact O-OD1 3.27Å; M346-N349 PolarHBondContact O-N 3.3Å; N349-T351 PolarHBondContact O-N 2.65Å; N349-D352 PolarHBondContact O-N 3.5Å; N349-E353 WeakPolarHBondContact O-CG 3.48Å; N349-E353 PolarHBondContact O-N 3.45Å |
| 350 | K | 60.1 | Low | 58.8 | Low | 86 Ų | 86 | 64.5 Ų | 64.5 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.4 | -35.7 | 172.5 | -86.9 | -86.7 | -177.7 | 177.4 | 0 | 111.8 | M346 I347 Y348 L354 | M346-K350 WeakPolarHBondContact O-CB 3.46Å; M346-K350 WeakPolarHBondContact O-CG 3.05Å; M346-K350 PolarHBondContact O-N 3.49Å; I347-K350 WeakPolarHBondContact O-CB 3.25Å; I347-K350 PolarHBondContact O-N 3.22Å; Y348-K350 VanDerWaalsContact C-N 3.29Å; Y348-K350 PolarHBondContact O-N 2.55Å; K350-L354 VanDerWaalsContact O-CB 3.3Å; K350-L354 WeakPolarHBondContact O-CB 3.47Å; K350-L354 WeakPolarHBondContact O-CD1 3.4Å; K350-L354 VanDerWaalsContact O-CG 3.23Å; K350-L354 WeakPolarHBondContact O-CG 3.45Å; K350-L354 PolarHBondContact O-N 3.23Å |
| 351 | T | 56.2 | Low | 58.8 | Low | 15 Ų | 15 | 69.9 Ų | 69.9 | 9% | 0.092 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 173.5 | -2.5 | 0 | 0 | 0 | 0 | 112.7 | I347 Y348 N349 L354 G355 L358 V366 | I347-T351 PolarHBondContact O-N 3.18Å; I347-T351 PolarHBondContact O-OG1 3.44Å; Y348-T351 VanDerWaalsContact C-OG1 3.27Å; Y348-T351 WeakPolarHBondContact CA-OG1 3.34Å; Y348-T351 VanDerWaalsContact O-CB 3.3Å; Y348-T351 WeakPolarHBondContact O-CB 3.5Å; Y348-T351 PolarHBondContact O-N 3.27Å; Y348-T351 VanDerWaalsContact O-N 3.11Å; Y348-T351 PolarHBondContact O-OG1 3.03Å; N349-T351 PolarHBondContact O-N 2.65Å; T351-L354 PolarHBondContact O-N 3Å; T351-G355 WeakPolarHBondContact O-CA 3.4Å; T351-G355 PolarHBondContact O-N 2.93Å; T351-L358 HydrophobicContact CG2-CD1 3.99Å; T351-V366 HydrophobicContact CG2-CB 3.5Å; T351-V366 VanDerWaalsContact CG2-CB 3.5Å; T351-V366 HydrophobicContact CG2-CG1 3.53Å; T351-V366 HydrophobicContact CG2-CG2 3.46Å; T351-V366 VanDerWaalsContact CG2-CG2 3.46Å; T351-V366 VanDerWaalsContact OG1-CG1 3.25Å; T351-V366 WeakPolarHBondContact OG1-CG1 3.47Å |
| 352 | D | 54.7 | Low | 58.9 | Low | 67 Ų | 67 | 70.5 Ų | 70.5 | 36% | 0.358 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 178.1 | -88.8 | -14.3 | 0 | 0 | 0 | 110.9 | Y348 N349 L354 G355 R399 | Y348-D352 PolarHBondContact O-N 3.22Å; N349-D352 PolarHBondContact O-N 3.5Å; D352-L354 VanDerWaalsContact C-N 3.32Å; D352-L354 PolarHBondContact O-N 3.05Å; D352-G355 PolarHBondContact O-N 3.49Å; D352-G355 VanDerWaalsContact O-N 3.09Å; D352-R399 IonicContact OD1-CZ 3.43Å; D352-R399 IonicContact OD1-NH1 3.59Å; D352-R399 IonicContact OD1-NH2 2.85Å; D352-R399 IonicContact OD2-CZ 2.73Å; D352-R399 IonicContact OD2-NH1 3.35Å; D352-R399 PolarHBondContact OD2-NH1 3.46Å |
| 353 | E | 52.7 | Low | 59 | Low | 150 Ų | 150 | 71.2 Ų | 71.2 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62 | -37.6 | 178 | -75.6 | 177.8 | -178.5 | 0 | 0 | 112.7 | N349 G355 | N349-E353 WeakPolarHBondContact O-CG 3.48Å; N349-E353 PolarHBondContact O-N 3.45Å; E353-G355 PolarHBondContact O-N 2.88Å |
| 354 | L | 53.7 | Low | 59 | Low | 81 Ų | 81 | 73.7 Ų | 73.7 | 42% | 0.424 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 4.4 | 178.4 | -67.9 | 166.2 | 0 | 0 | 0 | 112.9 | K350 T351 D352 S356 F357 L358 | K350-L354 VanDerWaalsContact O-CB 3.3Å; K350-L354 WeakPolarHBondContact O-CB 3.47Å; K350-L354 WeakPolarHBondContact O-CD1 3.4Å; K350-L354 VanDerWaalsContact O-CG 3.23Å; K350-L354 WeakPolarHBondContact O-CG 3.45Å; K350-L354 PolarHBondContact O-N 3.23Å; T351-L354 PolarHBondContact O-N 3Å; D352-L354 VanDerWaalsContact C-N 3.32Å; D352-L354 PolarHBondContact O-N 3.05Å; L354-S356 PolarHBondContact O-N 3.08Å; L354-F357 PolarHBondContact O-N 2.63Å; L354-L358 HydrophobicContact CB-CD1 3.47Å; L354-L358 VanDerWaalsContact CB-CD1 3.47Å; L354-L358 HydrophobicContact CB-CD2 4.42Å; L354-L358 HydrophobicContact CB-CG 3.72Å; L354-L358 HydrophobicContact CD1-CD1 4.09Å; L354-L358 HydrophobicContact CD1-CD2 4.3Å; L354-L358 HydrophobicContact CD1-CG 4.44Å; L354-L358 HydrophobicContact CG-CD1 4.43Å |
| 355 | G | 50 | Low | 59.1 | Low | 32 Ų | 32 | 80.6 Ų | 80.6 | 33% | 0.33 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -19.7 | -160.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | T351 D352 E353 | T351-G355 WeakPolarHBondContact O-CA 3.4Å; T351-G355 PolarHBondContact O-N 2.93Å; D352-G355 PolarHBondContact O-N 3.49Å; D352-G355 VanDerWaalsContact O-N 3.09Å; E353-G355 PolarHBondContact O-N 2.88Å |
| 356 | S | 54.2 | Low | 59.4 | Low | 99 Ų | 99 | 76.8 Ų | 76.8 | 69% | 0.692 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -15.1 | 177.8 | 53.1 | 0 | 0 | 0 | 0 | 115.6 | L354 | L354-S356 PolarHBondContact O-N 3.08Š|
| 357 | F | 52.3 | Low | 59.6 | Low | 185 Ų | 185 | 73.4 Ų | 73.4 | 81% | 0.811 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.7 | -7.4 | -171.8 | -65.3 | -77.8 | 0 | 0 | 0 | 115.1 | L354 | L354-F357 PolarHBondContact O-N 2.63Š|
| 358 | L | 55.8 | Low | 59.8 | Low | 44 Ų | 44 | 76.2 Ų | 76.2 | 23% | 0.23 | 39% | 0.392 | C | S | . | . | trans | -79.8 | 128.4 | 179.7 | -71.3 | 169.4 | 0 | 0 | 0 | 111.6 | T351 L354 A362 K363 | T351-L358 HydrophobicContact CG2-CD1 3.99Å; L354-L358 HydrophobicContact CB-CD1 3.47Å; L354-L358 VanDerWaalsContact CB-CD1 3.47Å; L354-L358 HydrophobicContact CB-CD2 4.42Å; L354-L358 HydrophobicContact CB-CG 3.72Å; L354-L358 HydrophobicContact CD1-CD1 4.09Å; L354-L358 HydrophobicContact CD1-CD2 4.3Å; L354-L358 HydrophobicContact CD1-CG 4.44Å; L354-L358 HydrophobicContact CG-CD1 4.43Å; L358-A362 HydrophobicContact CB-CB 4.28Å; L358-A362 HydrophobicContact CD2-CB 3.74Å; L358-K363 HydrophobicContact CB-CG 3.81Å; L358-K363 HydrophobicContact CD1-CG 4.43Å | ||
| 359 | T | 62.1 | Low | 60.1 | Low | 94 Ų | 94 | 75 Ų | 75 | 58% | 0.577 | 39% | 0.387 | S | S | * | . | trans | -61.5 | 155.4 | 167.7 | 59.5 | 0 | 0 | 0 | 0 | 110.4 | D361 A362 K363 | T359-D361 PolarHBondContact O-N 3.34Å; T359-A362 WeakPolarHBondContact O-CB 3.37Å; T359-A362 PolarHBondContact O-N 3.49Å; T359-A362 WeakPolarHBondContact OG1-CB 3.39Å; T359-A362 PolarHBondContact OG1-N 3.04Å; T359-K363 PolarHBondContact O-N 2.92Å | ||
| 360 | K | 64 | Low | 60.5 | Low | 167 Ų | 167 | 71.8 Ų | 71.8 | 73% | 0.726 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -50.9 | -44.2 | 177.8 | -171.9 | -179.5 | 179.2 | -178.1 | 0 | 111.9 | A362 K363 L364 | K360-A362 VanDerWaalsContact C-N 3.33Å; K360-A362 PolarHBondContact O-N 3.11Å; K360-K363 PolarHBondContact O-N 3.26Å; K360-L364 HydrophobicContact CG-CD1 4.34Å; K360-L364 WeakPolarHBondContact O-CG 3.1Å; K360-L364 PolarHBondContact O-N 3.18Å |
| 361 | D | 63.9 | Low | 60.9 | Low | 113 Ų | 113 | 68 Ų | 68 | 60% | 0.604 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.6 | -35.9 | 178 | -65 | -11.7 | 0 | 0 | 0 | 112.9 | T359 K365 | T359-D361 PolarHBondContact O-N 3.34Å; D361-K365 WeakPolarHBondContact O-CG 3.4Å; D361-K365 PolarHBondContact O-N 3.41Å; D361-K365 VanDerWaalsContact O-N 3.08Å |
| 362 | A | 64.5 | Low | 61.6 | Low | 26 Ų | 26 | 68.3 Ų | 68.3 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.5 | -44.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L358 T359 K360 L364 K365 V366 | L358-A362 HydrophobicContact CB-CB 4.28Å; L358-A362 HydrophobicContact CD2-CB 3.74Å; T359-A362 WeakPolarHBondContact O-CB 3.37Å; T359-A362 PolarHBondContact O-N 3.49Å; T359-A362 WeakPolarHBondContact OG1-CB 3.39Å; T359-A362 PolarHBondContact OG1-N 3.04Å; K360-A362 VanDerWaalsContact C-N 3.33Å; K360-A362 PolarHBondContact O-N 3.11Å; A362-L364 VanDerWaalsContact C-N 3.33Å; A362-L364 PolarHBondContact O-N 3.46Å; A362-K365 PolarHBondContact O-N 2.93Å; A362-V366 WeakPolarHBondContact O-CG2 3.36Å; A362-V366 PolarHBondContact O-N 3.48Å; A362-V366 VanDerWaalsContact O-N 3.11Å |
| 363 | K | 61.5 | Low | 62.3 | Low | 72 Ų | 72 | 65.1 Ų | 65.1 | 31% | 0.313 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.7 | -46 | 174.2 | -68.5 | -171.8 | 179.3 | -173.9 | 0 | 111.7 | L358 T359 K360 K365 V366 I367 | L358-K363 HydrophobicContact CB-CG 3.81Å; L358-K363 HydrophobicContact CD1-CG 4.43Å; T359-K363 PolarHBondContact O-N 2.92Å; K360-K363 PolarHBondContact O-N 3.26Å; K363-K365 PolarHBondContact O-N 3.2Å; K363-V366 WeakPolarHBondContact O-CB 3.37Å; K363-V366 PolarHBondContact O-N 3.44Å; K363-V366 VanDerWaalsContact O-N 3.15Å; K363-I367 WeakPolarHBondContact O-CG1 3.42Å; K363-I367 PolarHBondContact O-N 2.89Å; K363-I367 VanDerWaalsContact O-N 3.08Å |
| 364 | L | 62.9 | Low | 63.1 | Low | 51 Ų | 51 | 58.6 Ų | 58.6 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.7 | -47.9 | 176.6 | -77.9 | 163.2 | 0 | 0 | 0 | 112.3 | K360 A362 V366 I367 D368 S408 | K360-L364 HydrophobicContact CG-CD1 4.34Å; K360-L364 WeakPolarHBondContact O-CG 3.1Å; K360-L364 PolarHBondContact O-N 3.18Å; A362-L364 VanDerWaalsContact C-N 3.33Å; A362-L364 PolarHBondContact O-N 3.46Å; L364-V366 PolarHBondContact O-N 2.96Å; L364-I367 WeakPolarHBondContact O-CB 3.31Å; L364-I367 PolarHBondContact O-N 3.42Å; L364-I367 VanDerWaalsContact O-N 3.15Å; L364-D368 PolarHBondContact O-N 2.66Å; L364-S408 WeakPolarHBondContact CD2-OG 3.15Å |
| 365 | K | 66.4 | Low | 63.7 | Low | 145 Ų | 145 | 56.5 Ų | 56.5 | 63% | 0.63 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.7 | -34 | 176.8 | -74.6 | 178.3 | -178.8 | -179.3 | 0 | 113.1 | D361 A362 K363 Y369 | D361-K365 WeakPolarHBondContact O-CG 3.4Å; D361-K365 PolarHBondContact O-N 3.41Å; D361-K365 VanDerWaalsContact O-N 3.08Å; A362-K365 PolarHBondContact O-N 2.93Å; K363-K365 PolarHBondContact O-N 3.2Å; K365-Y369 WeakPolarHBondContact O-CB 3.31Å; K365-Y369 PolarHBondContact O-N 3.41Å; K365-Y369 VanDerWaalsContact O-N 3.14Å |
| 366 | V | 66.4 | Low | 64.6 | Low | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 176.9 | -168.5 | 0 | 0 | 0 | 0 | 111.1 | Y307 I347 T351 A362 K363 L364 Y369 C370 | Y307-V366 HydrophobicContact CE1-CG1 4.28Å; Y307-V366 WeakPolarHBondContact OH-CA 3.46Å; Y307-V366 WeakPolarHBondContact OH-CB 3.21Å; Y307-V366 WeakPolarHBondContact OH-CG1 3.25Å; Y307-V366 WeakPolarHBondContact OH-CG2 3.15Å; Y307-V366 PolarHBondContact OH-N 2.87Å; I347-V366 HydrophobicContact CG2-CG1 3.72Å; I347-V366 WeakPolarHBondContact O-CG1 3.1Å; T351-V366 HydrophobicContact CG2-CB 3.5Å; T351-V366 VanDerWaalsContact CG2-CB 3.5Å; T351-V366 HydrophobicContact CG2-CG1 3.53Å; T351-V366 HydrophobicContact CG2-CG2 3.46Å; T351-V366 VanDerWaalsContact CG2-CG2 3.46Å; T351-V366 VanDerWaalsContact OG1-CG1 3.25Å; T351-V366 WeakPolarHBondContact OG1-CG1 3.47Å; A362-V366 WeakPolarHBondContact O-CG2 3.36Å; A362-V366 PolarHBondContact O-N 3.48Å; A362-V366 VanDerWaalsContact O-N 3.11Å; K363-V366 WeakPolarHBondContact O-CB 3.37Å; K363-V366 PolarHBondContact O-N 3.44Å; K363-V366 VanDerWaalsContact O-N 3.15Å; L364-V366 PolarHBondContact O-N 2.96Å; V366-Y369 PolarHBondContact O-N 3.07Å; V366-C370 WeakPolarHBondContact O-CB 3.17Å; V366-C370 PolarHBondContact O-N 3.43Å |
| 367 | I | 64.7 | Low | 65.3 | Low | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 178.2 | -71.2 | 168.9 | 0 | 0 | 0 | 110.3 | K363 L364 Y369 C370 N371 S408 M409 | K363-I367 WeakPolarHBondContact O-CG1 3.42Å; K363-I367 PolarHBondContact O-N 2.89Å; K363-I367 VanDerWaalsContact O-N 3.08Å; L364-I367 WeakPolarHBondContact O-CB 3.31Å; L364-I367 PolarHBondContact O-N 3.42Å; L364-I367 VanDerWaalsContact O-N 3.15Å; I367-Y369 VanDerWaalsContact C-N 3.29Å; I367-Y369 PolarHBondContact O-N 2.97Å; I367-C370 WeakPolarHBondContact O-CB 3.3Å; I367-C370 PolarHBondContact O-N 3.39Å; I367-N371 WeakPolarHBondContact O-CB 3.48Å; I367-N371 PolarHBondContact O-N 3.08Å; I367-N371 PolarHBondContact O-ND2 3.18Å; I367-S408 VanDerWaalsContact CD1-OG 3.27Å; I367-S408 WeakPolarHBondContact CD1-OG 3.19Å; I367-M409 HydrophobicContact CG2-CB 4.47Å; I367-M409 HydrophobicContact CG2-CG 3.45Å; I367-M409 VanDerWaalsContact CG2-CG 3.45Å; I367-M409 HydrophobicContact CG2-SD 4.47Å |
| 368 | D | 67.4 | Low | 66 | Low | 60 Ų | 60 | 41.6 Ų | 41.6 | 32% | 0.321 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.9 | -41.2 | 176.7 | -70.6 | -20.1 | 0 | 0 | 0 | 112.1 | L364 N371 A372 | L364-D368 PolarHBondContact O-N 2.66Å; D368-N371 PolarHBondContact O-N 3.07Å; D368-A372 PolarHBondContact O-N 2.83Å |
| 369 | Y | 67.4 | Low | 66.5 | Low | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.4 | -40.9 | 178.7 | -155.5 | -106.8 | 0 | 0 | 0 | 112.1 | S303 Y307 G313 P314 D316 V317 I347 K365 V366 I367 N371 A372 Y373 | S303-Y369 PolarHBondContact O-OH 3.13Å; S303-Y369 VanDerWaalsContact O-OH 3.07Å; S303-Y369 PolarHBondContact OG-OH 3.1Å; Y307-Y369 VanDerWaalsContact CB-CE1 3.4Å; Y307-Y369 HydrophobicContact CD1-CD1 4.01Å; Y307-Y369 HydrophobicContact CD1-CE1 4.31Å; Y307-Y369 AromaticContact CD2-CD1 3.46Å; Y307-Y369 HydrophobicContact CD2-CD1 3.46Å; Y307-Y369 VanDerWaalsContact CD2-CD1 3.46Å; Y307-Y369 AromaticContact CD2-CD2 3.71Å; Y307-Y369 HydrophobicContact CD2-CD2 3.71Å; Y307-Y369 AromaticContact CD2-CE1 3.84Å; Y307-Y369 HydrophobicContact CD2-CE1 3.84Å; Y307-Y369 HydrophobicContact CD2-CE2 4.04Å; Y307-Y369 AromaticContact CD2-CG 3.41Å; Y307-Y369 HydrophobicContact CD2-CG 3.41Å; Y307-Y369 VanDerWaalsContact CD2-CG 3.41Å; Y307-Y369 HydrophobicContact CE2-CD1 4.06Å; Y307-Y369 HydrophobicContact CE2-CD2 4.29Å; Y307-Y369 AromaticContact CE2-CG 3.77Å; Y307-Y369 HydrophobicContact CE2-CG 3.77Å; Y307-Y369 AromaticContact CG-CD1 3.46Å; Y307-Y369 HydrophobicContact CG-CD1 3.46Å; Y307-Y369 VanDerWaalsContact CG-CD1 3.46Å; Y307-Y369 HydrophobicContact CG-CD2 4.43Å; Y307-Y369 AromaticContact CG-CE1 3.56Å; Y307-Y369 HydrophobicContact CG-CE1 3.56Å; Y307-Y369 HydrophobicContact CG-CE2 4.49Å; Y307-Y369 AromaticContact CG-CG 3.95Å; Y307-Y369 HydrophobicContact CG-CG 3.95Å; G313-Y369 WeakPolarHBondContact O-CE2 3.29Å; P314-Y369 HydrophobicContact CG-CD2 4.31Å; D316-Y369 PolarHBondContact OD2-OH 2.86Å; V317-Y369 HydrophobicContact CG2-CE1 4.42Å; V317-Y369 HydrophobicContact CG2-CE2 4.12Å; I347-Y369 HydrophobicContact CD1-CD1 3.45Å; I347-Y369 VanDerWaalsContact CD1-CD1 3.45Å; I347-Y369 HydrophobicContact CD1-CE1 3.65Å; I347-Y369 HydrophobicContact CG1-CD1 4.05Å; I347-Y369 HydrophobicContact CG1-CE1 4.39Å; I347-Y369 HydrophobicContact CG2-CD1 4.12Å; K365-Y369 WeakPolarHBondContact O-CB 3.31Å; K365-Y369 PolarHBondContact O-N 3.41Å; K365-Y369 VanDerWaalsContact O-N 3.14Å; V366-Y369 PolarHBondContact O-N 3.07Å; I367-Y369 VanDerWaalsContact C-N 3.29Å; I367-Y369 PolarHBondContact O-N 2.97Å; Y369-N371 VanDerWaalsContact C-N 3.31Å; Y369-N371 PolarHBondContact O-N 3.39Å; Y369-A372 PolarHBondContact O-N 3.18Å; Y369-Y373 HydrophobicContact CD1-CE2 4.12Å; Y369-Y373 AromaticContact CE1-CE2 3.76Å; Y369-Y373 HydrophobicContact CE1-CE2 3.76Å; Y369-Y373 WeakPolarHBondContact O-CD2 3.43Å |
| 370 | C | 69 | Low | 66.5 | Low | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.4 | -44.1 | 172.2 | -175.2 | 0 | 0 | 0 | 0 | 111 | A344 I347 Y348 V366 I367 A372 Y373 W374 | A344-C370 PolarHBondContact O-SG 2.89Å; I347-C370 HydrophobicContact CG2-CB 4.26Å; Y348-C370 HydrophobicContact CD2-CB 4.34Å; V366-C370 WeakPolarHBondContact O-CB 3.17Å; V366-C370 PolarHBondContact O-N 3.43Å; I367-C370 WeakPolarHBondContact O-CB 3.3Å; I367-C370 PolarHBondContact O-N 3.39Å; C370-A372 VanDerWaalsContact C-N 3.34Å; C370-A372 PolarHBondContact O-N 3.36Å; C370-Y373 PolarHBondContact O-N 2.69Å; C370-W374 PolarHBondContact O-N 2.75Å |
| 371 | N | 69.1 | Low | 66.5 | Low | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.8 | -37.4 | -180 | -71.9 | -24.1 | 0 | 0 | 0 | 112.9 | I367 D368 Y369 Y373 W374 C375 M409 S413 R417 | I367-N371 WeakPolarHBondContact O-CB 3.48Å; I367-N371 PolarHBondContact O-N 3.08Å; I367-N371 PolarHBondContact O-ND2 3.18Å; D368-N371 PolarHBondContact O-N 3.07Å; Y369-N371 VanDerWaalsContact C-N 3.31Å; Y369-N371 PolarHBondContact O-N 3.39Å; N371-Y373 PolarHBondContact O-N 2.81Å; N371-W374 PolarHBondContact O-N 3.41Å; N371-C375 PolarHBondContact O-N 2.84Å; N371-C375 PolarHBondContact O-SG 3.43Å; N371-C375 VanDerWaalsContact O-SG 3.33Å; N371-M409 WeakPolarHBondContact OD1-CE 3.27Å; N371-S413 WeakPolarHBondContact CB-OG 3.45Å; N371-S413 VanDerWaalsContact CG-CB 3.5Å; N371-S413 PolarHBondContact ND2-OG 3.3Å; N371-R417 PolarHBondContact OD1-NH2 3.48Å |
| 372 | A | 70.7 | Confident | 66.5 | Low | 21 Ų | 21 | 28.1 Ų | 28.1 | 17% | 0.174 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.4 | -37.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | P314 V317 D368 Y369 C370 A376 | P314-A372 HydrophobicContact CB-CB 3.99Å; V317-A372 HydrophobicContact CB-CB 3.9Å; V317-A372 HydrophobicContact CG1-CB 4.06Å; V317-A372 WeakPolarHBondContact CG1-O 3.16Å; V317-A372 HydrophobicContact CG2-CB 4.03Å; D368-A372 PolarHBondContact O-N 2.83Å; Y369-A372 PolarHBondContact O-N 3.18Å; C370-A372 VanDerWaalsContact C-N 3.34Å; C370-A372 PolarHBondContact O-N 3.36Å; A372-A376 WeakPolarHBondContact O-CB 3.4Å; A372-A376 PolarHBondContact O-N 3.25Å |
| 373 | Y | 69.3 | Low | 66.3 | Low | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.2 | -39.3 | 175.3 | -81.5 | -84.4 | 0 | 0 | 0 | 112.5 | V300 S303 V317 L340 A343 A344 I347 Y369 C370 N371 A376 I377 | V300-Y373 HydrophobicContact CG1-CE1 4.44Å; S303-Y373 VanDerWaalsContact CB-OH 3.29Å; S303-Y373 WeakPolarHBondContact CB-OH 3.22Å; S303-Y373 PolarHBondContact OG-OH 3.31Å; S303-Y373 VanDerWaalsContact OG-OH 3.08Å; V317-Y373 HydrophobicContact CG1-CD1 3.94Å; V317-Y373 HydrophobicContact CG1-CD2 4.09Å; V317-Y373 HydrophobicContact CG1-CE1 4.15Å; V317-Y373 HydrophobicContact CG1-CE2 4.28Å; V317-Y373 HydrophobicContact CG1-CG 3.91Å; V317-Y373 HydrophobicContact CG2-CD2 3.82Å; V317-Y373 HydrophobicContact CG2-CE1 4.44Å; V317-Y373 HydrophobicContact CG2-CE2 3.43Å; V317-Y373 VanDerWaalsContact CG2-CE2 3.43Å; V317-Y373 HydrophobicContact CG2-CG 4.46Å; L340-Y373 HydrophobicContact CB-CD1 4.37Å; L340-Y373 HydrophobicContact CD2-CD1 3.81Å; L340-Y373 HydrophobicContact CD2-CE1 4.01Å; A343-Y373 HydrophobicContact CB-CD1 4.06Å; A343-Y373 HydrophobicContact CB-CE1 3.69Å; A344-Y373 HydrophobicContact CB-CG 4.46Å; I347-Y373 HydrophobicContact CD1-CD2 3.57Å; I347-Y373 HydrophobicContact CD1-CE2 3.22Å; Y369-Y373 HydrophobicContact CD1-CE2 4.12Å; Y369-Y373 AromaticContact CE1-CE2 3.76Å; Y369-Y373 HydrophobicContact CE1-CE2 3.76Å; Y369-Y373 WeakPolarHBondContact O-CD2 3.43Å; C370-Y373 PolarHBondContact O-N 2.69Å; N371-Y373 PolarHBondContact O-N 2.81Å; Y373-A376 PolarHBondContact O-N 3.18Å; Y373-I377 VanDerWaalsContact O-CG1 3.28Å; Y373-I377 WeakPolarHBondContact O-CG1 3.22Å; Y373-I377 PolarHBondContact O-N 3.47Å |
| 374 | W | 69.3 | Low | 66.3 | Low | 14 Ų | 14 | 29.3 Ų | 29.3 | 5% | 0.053 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 176 | -71.8 | 109.7 | 0 | 0 | 0 | 112.1 | H341 A344 C370 N371 A376 I377 E378 F396 R417 L420 | H341-W374 AromaticContact CD2-CH2 3.44Å; H341-W374 VanDerWaalsContact CD2-CH2 3.44Å; H341-W374 WeakPolarHBondContact CD2-CH2 3.36Å; H341-W374 AromaticContact CD2-CZ2 3.9Å; H341-W374 AromaticContact NE2-CH2 3.85Å; A344-W374 HydrophobicContact CB-CZ2 4.42Å; C370-W374 PolarHBondContact O-N 2.75Å; N371-W374 PolarHBondContact O-N 3.41Å; W374-A376 VanDerWaalsContact C-N 3.32Å; W374-A376 PolarHBondContact O-N 3.41Å; W374-I377 HydrophobicContact CE3-CD1 3.95Å; W374-I377 HydrophobicContact CZ3-CD1 4.28Å; W374-I377 PolarHBondContact O-N 3.5Å; W374-E378 PolarHBondContact O-N 3.25Å; W374-F396 HydrophobicContact CH2-CB 4.09Å; W374-F396 AromaticContact CH2-CD1 3.48Å; W374-F396 HydrophobicContact CH2-CD1 3.48Å; W374-F396 VanDerWaalsContact CH2-CD1 3.48Å; W374-F396 HydrophobicContact CH2-CE1 4.25Å; W374-F396 HydrophobicContact CH2-CG 4.11Å; W374-F396 HydrophobicContact CZ3-CB 4.35Å; W374-F396 AromaticContact CZ3-CD1 3.32Å; W374-F396 HydrophobicContact CZ3-CD1 3.32Å; W374-F396 AromaticContact CZ3-CE1 3.74Å; W374-F396 HydrophobicContact CZ3-CE1 3.74Å; W374-F396 AromaticContact CZ3-CG 3.97Å; W374-F396 HydrophobicContact CZ3-CG 3.97Å; W374-R417 VanDerWaalsContact NE1-NH2 3.2Å; W374-L420 HydrophobicContact CE3-CD1 4.28Å |
| 375 | C | 67.4 | Low | 66.1 | Low | 37 Ų | 37 | 34.2 Ų | 34.2 | 25% | 0.25 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 172.9 | -63.4 | 0 | 0 | 0 | 0 | 111.4 | N371 I377 E378 D379 | N371-C375 PolarHBondContact O-N 2.84Å; N371-C375 PolarHBondContact O-SG 3.43Å; N371-C375 VanDerWaalsContact O-SG 3.33Å; C375-I377 PolarHBondContact O-N 3.41Å; C375-E378 PolarHBondContact O-N 2.83Å; C375-D379 WeakPolarHBondContact O-CB 3.26Å; C375-D379 PolarHBondContact O-N 3.37Å |
| 376 | A | 68.7 | Low | 65.5 | Low | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V317 K321 A372 Y373 W374 E378 I380 | V317-A376 HydrophobicContact CG1-CB 4.15Å; K321-A376 HydrophobicContact CB-CB 3.81Å; K321-A376 HydrophobicContact CD-CB 4.03Å; K321-A376 HydrophobicContact CG-CB 3.84Å; A372-A376 WeakPolarHBondContact O-CB 3.4Å; A372-A376 PolarHBondContact O-N 3.25Å; Y373-A376 PolarHBondContact O-N 3.18Å; W374-A376 VanDerWaalsContact C-N 3.32Å; W374-A376 PolarHBondContact O-N 3.41Å; A376-E378 VanDerWaalsContact C-N 3.34Å; A376-I380 WeakPolarHBondContact O-CB 3.39Å; A376-I380 VanDerWaalsContact O-CD1 3.29Å; A376-I380 WeakPolarHBondContact O-CD1 3.4Å; A376-I380 WeakPolarHBondContact O-CG1 3.41Å; A376-I380 PolarHBondContact O-N 2.92Å; A376-I380 VanDerWaalsContact O-N 3.17Å |
| 377 | I | 68.3 | Low | 65 | Low | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 175.3 | -70.8 | 163.1 | 0 | 0 | 0 | 110.6 | L337 L340 H341 Y373 W374 C375 I380 I381 F396 L420 | L337-I377 HydrophobicContact CD2-CG2 4.24Å; L340-I377 HydrophobicContact CB-CD1 3.77Å; L340-I377 HydrophobicContact CB-CG1 3.5Å; L340-I377 HydrophobicContact CD1-CG1 3.78Å; L340-I377 HydrophobicContact CG-CG1 4.29Å; H341-I377 HydrophobicContact CB-CD1 4.42Å; Y373-I377 VanDerWaalsContact O-CG1 3.28Å; Y373-I377 WeakPolarHBondContact O-CG1 3.22Å; Y373-I377 PolarHBondContact O-N 3.47Å; W374-I377 HydrophobicContact CE3-CD1 3.95Å; W374-I377 HydrophobicContact CZ3-CD1 4.28Å; W374-I377 PolarHBondContact O-N 3.5Å; C375-I377 PolarHBondContact O-N 3.41Å; I377-I380 PolarHBondContact O-N 3.44Å; I377-I381 HydrophobicContact CG2-CD1 3.82Å; I377-I381 WeakPolarHBondContact O-CG1 3.44Å; I377-I381 PolarHBondContact O-N 3.18Å; I377-F396 HydrophobicContact CD1-CE1 4.25Å; I377-F396 HydrophobicContact CG2-CE1 4.21Å; I377-F396 HydrophobicContact CG2-CZ 3.93Å; I377-L420 HydrophobicContact CG2-CD1 4.46Å; I377-L420 HydrophobicContact CG2-CD2 3.99Å |
| 378 | E | 66.8 | Low | 64.8 | Low | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.1 | -47.2 | -178.3 | -157.9 | -102.1 | -165 | 0 | 0 | 112.6 | W374 C375 A376 I380 I381 K382 Y416 K419 L420 | W374-E378 PolarHBondContact O-N 3.25Å; C375-E378 PolarHBondContact O-N 2.83Å; A376-E378 VanDerWaalsContact C-N 3.34Å; E378-I380 VanDerWaalsContact C-N 3.28Å; E378-I380 PolarHBondContact O-N 2.92Å; E378-I381 PolarHBondContact O-N 2.97Å; E378-I381 VanDerWaalsContact O-N 3.16Å; E378-K382 PolarHBondContact O-N 3.29Å; E378-K382 WeakPolarHBondContact OE1-CE 3.49Å; E378-K382 IonicContact OE1-NZ 2.82Å; E378-K382 PolarHBondContact OE1-NZ 3.41Å; E378-K382 WeakPolarHBondContact OE2-CD 3.2Å; E378-K382 VanDerWaalsContact OE2-CE 3.28Å; E378-K382 WeakPolarHBondContact OE2-CE 2.98Å; E378-K382 IonicContact OE2-NZ 3.28Å; E378-K382 PolarHBondContact OE2-NZ 2.94Å; E378-Y416 HydrophobicContact CG-CD1 4.24Å; E378-Y416 WeakPolarHBondContact OE1-CD1 3.27Å; E378-K419 WeakPolarHBondContact OE1-CD 3.5Å; E378-L420 HydrophobicContact CB-CD1 3.99Å; E378-L420 HydrophobicContact CB-CD2 4.44Å; E378-L420 HydrophobicContact CB-CG 4.18Å; E378-L420 HydrophobicContact CG-CD1 4.12Å; E378-L420 HydrophobicContact CG-CD2 4.37Å; E378-L420 HydrophobicContact CG-CG 3.88Å |
| 379 | D | 65.9 | Low | 64.4 | Low | 55 Ų | 55 | 37 Ų | 37 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.6 | -41.2 | 177 | -80.7 | -16.1 | 0 | 0 | 0 | 111.4 | K321 C375 G383 | K321-D379 HydrophobicContact CD-CB 3.93Å; K321-D379 VanDerWaalsContact CD-OD2 3.23Å; K321-D379 WeakPolarHBondContact CD-OD2 3.44Å; K321-D379 VanDerWaalsContact CE-OD2 3.31Å; K321-D379 WeakPolarHBondContact CE-OD2 3.43Å; K321-D379 IonicContact NZ-OD2 2.99Å; K321-D379 PolarHBondContact NZ-OD2 3.2Å; C375-D379 WeakPolarHBondContact O-CB 3.26Å; C375-D379 PolarHBondContact O-N 3.37Å; D379-G383 PolarHBondContact O-N 3.27Å |
| 380 | I | 63.8 | Low | 63.8 | Low | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.046 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.1 | -43.7 | 177.3 | -69 | 165.6 | 0 | 0 | 0 | 111 | L324 L329 L337 L340 A376 I377 E378 G383 E384 | L324-I380 HydrophobicContact CB-CD1 3.78Å; L324-I380 HydrophobicContact CB-CG1 4.44Å; L324-I380 HydrophobicContact CD1-CD1 3.63Å; L324-I380 HydrophobicContact CG-CD1 4.35Å; L329-I380 HydrophobicContact CD1-CG2 3.96Å; L337-I380 HydrophobicContact CD2-CB 4.4Å; L337-I380 HydrophobicContact CD2-CG2 3.98Å; L340-I380 HydrophobicContact CD1-CD1 3.63Å; A376-I380 WeakPolarHBondContact O-CB 3.39Å; A376-I380 VanDerWaalsContact O-CD1 3.29Å; A376-I380 WeakPolarHBondContact O-CD1 3.4Å; A376-I380 WeakPolarHBondContact O-CG1 3.41Å; A376-I380 PolarHBondContact O-N 2.92Å; A376-I380 VanDerWaalsContact O-N 3.17Å; I377-I380 PolarHBondContact O-N 3.44Å; E378-I380 VanDerWaalsContact C-N 3.28Å; E378-I380 PolarHBondContact O-N 2.92Å; I380-G383 PolarHBondContact O-N 3.25Å; I380-E384 PolarHBondContact O-N 2.99Å |
| 381 | I | 64.3 | Low | 63.1 | Low | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66 | -42 | 178.4 | -73.2 | 167.9 | 0 | 0 | 0 | 110.5 | L337 I377 E378 G383 A387 Q388 L420 | L337-I381 HydrophobicContact CD1-CD1 4.28Å; L337-I381 HydrophobicContact CD1-CG1 4.1Å; L337-I381 HydrophobicContact CD2-CD1 4.23Å; L337-I381 HydrophobicContact CD2-CG1 4.01Å; I377-I381 HydrophobicContact CG2-CD1 3.82Å; I377-I381 WeakPolarHBondContact O-CG1 3.44Å; I377-I381 PolarHBondContact O-N 3.18Å; E378-I381 PolarHBondContact O-N 2.97Å; E378-I381 VanDerWaalsContact O-N 3.16Å; I381-G383 PolarHBondContact O-N 2.69Å; I381-A387 HydrophobicContact CG1-CB 4.45Å; I381-Q388 HydrophobicContact CG2-CG 3.99Å; I381-Q388 WeakPolarHBondContact O-CG 3.18Å; I381-Q388 PolarHBondContact O-NE2 2.98Å; I381-L420 HydrophobicContact CD1-CD2 3.41Å; I381-L420 VanDerWaalsContact CD1-CD2 3.41Å |
| 382 | K | 62.2 | Low | 62.3 | Low | 70 Ų | 70 | 42.3 Ų | 42.3 | 30% | 0.304 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 175.2 | -82.3 | -175 | 176.4 | 148 | 0 | 113 | E378 Q388 | E378-K382 PolarHBondContact O-N 3.29Å; E378-K382 WeakPolarHBondContact OE1-CE 3.49Å; E378-K382 IonicContact OE1-NZ 2.82Å; E378-K382 PolarHBondContact OE1-NZ 3.41Å; E378-K382 WeakPolarHBondContact OE2-CD 3.2Å; E378-K382 VanDerWaalsContact OE2-CE 3.28Å; E378-K382 WeakPolarHBondContact OE2-CE 2.98Å; E378-K382 IonicContact OE2-NZ 3.28Å; E378-K382 PolarHBondContact OE2-NZ 2.94Å; K382-Q388 PolarHBondContact O-NE2 3.44Å |
| 383 | G | 60.9 | Low | 61 | Low | 66 Ų | 66 | 50.7 Ų | 50.7 | 68% | 0.68 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -72.9 | -23.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D379 I380 I381 | D379-G383 PolarHBondContact O-N 3.27Å; I380-G383 PolarHBondContact O-N 3.25Å; I381-G383 PolarHBondContact O-N 2.69Å |
| 384 | E | 61.8 | Low | 59.8 | Low | 56 Ų | 56 | 52.2 Ų | 52.2 | 26% | 0.262 | 25% | 0.25 | S | S | . | . | trans | -133.4 | 112.4 | -166.9 | -172.2 | 61 | -124.8 | 0 | 0 | 113.3 | I380 R386 A387 Q388 | I380-E384 PolarHBondContact O-N 2.99Å; E384-R386 VanDerWaalsContact C-N 3.27Å; E384-R386 PolarHBondContact O-N 3.37Å; E384-A387 HydrophobicContact CB-CB 3.98Å; E384-A387 HydrophobicContact CG-CB 4.24Å; E384-A387 WeakPolarHBondContact O-CA 3.42Å; E384-A387 WeakPolarHBondContact O-CB 3.17Å; E384-A387 PolarHBondContact O-N 2.91Å; E384-Q388 PolarHBondContact O-N 3.45Å; E384-Q388 VanDerWaalsContact O-N 3.13Å | ||
| 385 | K | 58.6 | Low | 58.6 | Low | 154 Ų | 154 | 55.3 Ų | 55.3 | 67% | 0.67 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -55.3 | -39 | -177.5 | -172.1 | 178.3 | -179.1 | -180 | 0 | 113.2 | A387 Q388 D389 | K385-A387 VanDerWaalsContact C-N 3.32Å; K385-A387 PolarHBondContact O-N 3.28Å; K385-Q388 WeakPolarHBondContact O-CB 3.35Å; K385-Q388 PolarHBondContact O-N 2.98Å; K385-D389 PolarHBondContact O-N 3.02Å |
| 386 | R | 53.9 | Low | 57.7 | Low | 133 Ų | 133 | 54.5 Ų | 54.5 | 50% | 0.502 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.7 | -32.6 | 179.4 | -149.8 | 176 | -169.4 | 171.9 | 3.6 | 112.2 | T330 E384 Q388 D389 D390 | T330-R386 WeakPolarHBondContact O-CD 2.88Å; T330-R386 PolarHBondContact O-NH1 3.3Å; E384-R386 VanDerWaalsContact C-N 3.27Å; E384-R386 PolarHBondContact O-N 3.37Å; R386-Q388 VanDerWaalsContact C-N 3.34Å; R386-D389 PolarHBondContact O-N 3.14Å; R386-D390 WeakPolarHBondContact O-CB 3.4Å; R386-D390 PolarHBondContact O-N 3.2Å |
| 387 | A | 56.6 | Low | 56.2 | Low | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.1 | -35.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | P333 L337 I381 E384 K385 S391 | P333-A387 HydrophobicContact CB-CB 3.81Å; P333-A387 HydrophobicContact CG-CB 4.32Å; L337-A387 HydrophobicContact CD1-CB 4.36Å; I381-A387 HydrophobicContact CG1-CB 4.45Å; E384-A387 HydrophobicContact CB-CB 3.98Å; E384-A387 HydrophobicContact CG-CB 4.24Å; E384-A387 WeakPolarHBondContact O-CA 3.42Å; E384-A387 WeakPolarHBondContact O-CB 3.17Å; E384-A387 PolarHBondContact O-N 2.91Å; K385-A387 VanDerWaalsContact C-N 3.32Å; K385-A387 PolarHBondContact O-N 3.28Å; A387-S391 VanDerWaalsContact O-CB 3.22Å; A387-S391 WeakPolarHBondContact O-CB 3.35Å; A387-S391 PolarHBondContact O-N 3.34Å |
| 388 | Q | 59.2 | Low | 55.4 | Low | 54 Ų | 54 | 61.5 Ų | 61.5 | 25% | 0.252 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.4 | -52.5 | 171.7 | -58 | 171.3 | -1.3 | 0 | 0 | 110.6 | I381 K382 E384 K385 R386 D390 S391 Y392 | I381-Q388 HydrophobicContact CG2-CG 3.99Å; I381-Q388 WeakPolarHBondContact O-CG 3.18Å; I381-Q388 PolarHBondContact O-NE2 2.98Å; K382-Q388 PolarHBondContact O-NE2 3.44Å; E384-Q388 PolarHBondContact O-N 3.45Å; E384-Q388 VanDerWaalsContact O-N 3.13Å; K385-Q388 WeakPolarHBondContact O-CB 3.35Å; K385-Q388 PolarHBondContact O-N 2.98Å; R386-Q388 VanDerWaalsContact C-N 3.34Å; Q388-D390 VanDerWaalsContact C-N 3.32Å; Q388-D390 PolarHBondContact O-N 3.31Å; Q388-S391 PolarHBondContact O-N 3.39Å; Q388-S391 PolarHBondContact O-OG 2.99Å; Q388-Y392 WeakPolarHBondContact O-CD2 3.26Å; Q388-Y392 WeakPolarHBondContact O-CE2 3.24Å |
| 389 | D | 58.5 | Low | 54.4 | Low | 94 Ų | 94 | 67.4 Ų | 67.4 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59 | -39.8 | -180 | -67.9 | -23.1 | 0 | 0 | 0 | 112.8 | K385 R386 Y392 | K385-D389 PolarHBondContact O-N 3.02Å; R386-D389 PolarHBondContact O-N 3.14Å; D389-Y392 WeakPolarHBondContact O-CD2 3.41Å |
| 390 | D | 55.4 | Low | 53.5 | Low | 30 Ų | 30 | 70 Ų | 70 | 16% | 0.16 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -79.9 | -26.2 | 179.4 | -83.3 | -16.2 | 0 | 0 | 0 | 113.1 | P333 L334 R386 Q388 Y392 R393 | P333-D390 WeakPolarHBondContact CD-OD2 3.44Å; P333-D390 HydrophobicContact CG-CB 4.11Å; P333-D390 VanDerWaalsContact CG-OD2 3.28Å; P333-D390 WeakPolarHBondContact CG-OD2 3.29Å; L334-D390 HydrophobicContact CD1-CB 3.99Å; L334-D390 WeakPolarHBondContact CD1-O 3.26Å; R386-D390 WeakPolarHBondContact O-CB 3.4Å; R386-D390 PolarHBondContact O-N 3.2Å; Q388-D390 VanDerWaalsContact C-N 3.32Å; Q388-D390 PolarHBondContact O-N 3.31Å; D390-Y392 PolarHBondContact O-N 3.45Å; D390-R393 WeakPolarHBondContact O-CB 3.22Å; D390-R393 PolarHBondContact O-N 3.08Å |
| 391 | S | 53.8 | Low | 53 | Low | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.014 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.5 | -30 | -178.6 | 71.6 | 0 | 0 | 0 | 0 | 113 | A387 Q388 R393 F394 | A387-S391 VanDerWaalsContact O-CB 3.22Å; A387-S391 WeakPolarHBondContact O-CB 3.35Å; A387-S391 PolarHBondContact O-N 3.34Å; Q388-S391 PolarHBondContact O-N 3.39Å; Q388-S391 PolarHBondContact O-OG 2.99Å; S391-R393 PolarHBondContact O-N 3.13Å; S391-F394 PolarHBondContact O-N 3.25Å; S391-F394 VanDerWaalsContact O-N 3.07Å |
| 392 | Y | 53 | Low | 52.5 | Low | 89 Ų | 89 | 72.9 Ų | 72.9 | 35% | 0.349 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26 | 173.1 | -67.2 | -83.9 | 0 | 0 | 0 | 113.2 | Q388 D389 D390 F394 H423 Q510 | Q388-Y392 WeakPolarHBondContact O-CD2 3.26Å; Q388-Y392 WeakPolarHBondContact O-CE2 3.24Å; D389-Y392 WeakPolarHBondContact O-CD2 3.41Å; D390-Y392 PolarHBondContact O-N 3.45Å; Y392-F394 VanDerWaalsContact C-N 3.3Å; Y392-H423 WeakPolarHBondContact CE1-O 3.46Å; Y392-H423 PolarHBondContact OH-O 3.44Å; Y392-H423 VanDerWaalsContact OH-O 3.06Å; Y392-Q510 PolarHBondContact OH-NE2 2.9Å |
| 393 | R | 43.9 | Very low | 52.1 | Low | 198 Ų | 198 | 73.6 Ų | 73.6 | 75% | 0.747 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -7.6 | -179.7 | -58.5 | -179.5 | 178.2 | -173.6 | -0 | 113.2 | L334 D390 S391 | L334-R393 HydrophobicContact CD1-CB 4.21Å; D390-R393 WeakPolarHBondContact O-CB 3.22Å; D390-R393 PolarHBondContact O-N 3.08Å; S391-R393 PolarHBondContact O-N 3.13Å |
| 394 | F | 43.2 | Very low | 51.7 | Low | 32 Ų | 32 | 77.2 Ų | 77.2 | 14% | 0.14 | 39% | 0.385 | C | S | . | . | trans | -107.5 | 119.8 | -172.4 | -159.5 | -98.2 | 0 | 0 | 0 | 110.7 | S338 H341 S391 Y392 F396 R424 | S338-F394 VanDerWaalsContact CB-CE2 3.49Å; S338-F394 WeakPolarHBondContact OG-CE2 3.06Å; H341-F394 HydrophobicContact CB-CE1 3.74Å; H341-F394 HydrophobicContact CB-CZ 4Å; H341-F394 AromaticContact CE1-CE1 3.94Å; H341-F394 AromaticContact CG-CE1 3.57Å; H341-F394 AromaticContact ND1-CE1 3.28Å; H341-F394 VanDerWaalsContact ND1-CE1 3.28Å; H341-F394 WeakPolarHBondContact ND1-CE1 3.25Å; H341-F394 AromaticContact ND1-CZ 3.48Å; H341-F394 WeakPolarHBondContact ND1-CZ 3.34Å; S391-F394 PolarHBondContact O-N 3.25Å; S391-F394 VanDerWaalsContact O-N 3.07Å; Y392-F394 VanDerWaalsContact C-N 3.3Å; F394-F396 HydrophobicContact CB-CE2 4.4Å; F394-F396 AromaticContact CD1-CD1 3.83Å; F394-F396 HydrophobicContact CD1-CD1 3.83Å; F394-F396 AromaticContact CD1-CD2 3.84Å; F394-F396 HydrophobicContact CD1-CD2 3.84Å; F394-F396 AromaticContact CD1-CE1 3.64Å; F394-F396 HydrophobicContact CD1-CE1 3.64Å; F394-F396 AromaticContact CD1-CE2 3.63Å; F394-F396 HydrophobicContact CD1-CE2 3.63Å; F394-F396 AromaticContact CD1-CG 3.95Å; F394-F396 HydrophobicContact CD1-CG 3.95Å; F394-F396 AromaticContact CD1-CZ 3.53Å; F394-F396 HydrophobicContact CD1-CZ 3.53Å; F394-F396 AromaticContact CE1-CD1 3.76Å; F394-F396 HydrophobicContact CE1-CD1 3.76Å; F394-F396 AromaticContact CE1-CE1 3.62Å; F394-F396 HydrophobicContact CE1-CE1 3.62Å; F394-F396 HydrophobicContact CE1-CE2 4.44Å; F394-F396 HydrophobicContact CE1-CG 4.25Å; F394-F396 AromaticContact CE1-CZ 3.98Å; F394-F396 HydrophobicContact CE1-CZ 3.98Å; F394-F396 HydrophobicContact CG-CE2 4.47Å; F394-F396 HydrophobicContact CG-CZ 4.49Å; F394-F396 PolarHBondContact O-N 2.68Å; F394-R424 PolarHBondContact O-NE 2.82Å; F394-R424 PolarHBondContact O-NH2 2.91Å; F394-R424 VanDerWaalsContact O-NH2 3.17Å | ||
| 395 | A | 44.1 | Very low | 51.1 | Low | 79 Ų | 79 | 75.6 Ų | 75.6 | 65% | 0.653 | 38% | 0.377 | S | S | * | . | trans | -87.2 | 103.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | C397 | A395-C397 PolarHBondContact O-N 3.29Š| ||
| 396 | F | 48.4 | Very low | 51.1 | Low | 19 Ų | 19 | 71.6 Ų | 71.6 | 8% | 0.083 | 36% | 0.361 | C | S | . | . | trans | -70.3 | 127.9 | 170.2 | -70.3 | -82.8 | 0 | 0 | 0 | 108.4 | H341 W374 I377 F394 E398 | H341-F396 HydrophobicContact CB-CD1 4.12Å; H341-F396 HydrophobicContact CB-CE1 3.8Å; H341-F396 AromaticContact CD2-CD1 3.26Å; H341-F396 WeakPolarHBondContact CD2-CD1 3.37Å; H341-F396 AromaticContact CD2-CE1 3.84Å; H341-F396 AromaticContact CG-CD1 3.63Å; H341-F396 AromaticContact CG-CE1 3.85Å; H341-F396 AromaticContact NE2-CD1 3.63Å; W374-F396 HydrophobicContact CH2-CB 4.09Å; W374-F396 AromaticContact CH2-CD1 3.48Å; W374-F396 HydrophobicContact CH2-CD1 3.48Å; W374-F396 VanDerWaalsContact CH2-CD1 3.48Å; W374-F396 HydrophobicContact CH2-CE1 4.25Å; W374-F396 HydrophobicContact CH2-CG 4.11Å; W374-F396 HydrophobicContact CZ3-CB 4.35Å; W374-F396 AromaticContact CZ3-CD1 3.32Å; W374-F396 HydrophobicContact CZ3-CD1 3.32Å; W374-F396 AromaticContact CZ3-CE1 3.74Å; W374-F396 HydrophobicContact CZ3-CE1 3.74Å; W374-F396 AromaticContact CZ3-CG 3.97Å; W374-F396 HydrophobicContact CZ3-CG 3.97Å; I377-F396 HydrophobicContact CD1-CE1 4.25Å; I377-F396 HydrophobicContact CG2-CE1 4.21Å; I377-F396 HydrophobicContact CG2-CZ 3.93Å; F394-F396 HydrophobicContact CB-CE2 4.4Å; F394-F396 AromaticContact CD1-CD1 3.83Å; F394-F396 HydrophobicContact CD1-CD1 3.83Å; F394-F396 AromaticContact CD1-CD2 3.84Å; F394-F396 HydrophobicContact CD1-CD2 3.84Å; F394-F396 AromaticContact CD1-CE1 3.64Å; F394-F396 HydrophobicContact CD1-CE1 3.64Å; F394-F396 AromaticContact CD1-CE2 3.63Å; F394-F396 HydrophobicContact CD1-CE2 3.63Å; F394-F396 AromaticContact CD1-CG 3.95Å; F394-F396 HydrophobicContact CD1-CG 3.95Å; F394-F396 AromaticContact CD1-CZ 3.53Å; F394-F396 HydrophobicContact CD1-CZ 3.53Å; F394-F396 AromaticContact CE1-CD1 3.76Å; F394-F396 HydrophobicContact CE1-CD1 3.76Å; F394-F396 AromaticContact CE1-CE1 3.62Å; F394-F396 HydrophobicContact CE1-CE1 3.62Å; F394-F396 HydrophobicContact CE1-CE2 4.44Å; F394-F396 HydrophobicContact CE1-CG 4.25Å; F394-F396 AromaticContact CE1-CZ 3.98Å; F394-F396 HydrophobicContact CE1-CZ 3.98Å; F394-F396 HydrophobicContact CG-CE2 4.47Å; F394-F396 HydrophobicContact CG-CZ 4.49Å; F394-F396 PolarHBondContact O-N 2.68Å; F396-E398 PolarHBondContact O-N 3.47Å; F396-E398 VanDerWaalsContact O-N 3.13Å | ||
| 397 | C | 38.8 | Very low | 51.2 | Low | 84 Ų | 84 | 73.6 Ų | 73.6 | 57% | 0.568 | 38% | 0.376 | S | S | * | . | trans | -86.2 | 90.6 | -172.8 | -153.2 | 0 | 0 | 0 | 0 | 107.6 | H341 A395 | H341-C397 PolarHBondContact NE2-N 2.75Å; A395-C397 PolarHBondContact O-N 3.29Å | ||
| 398 | E | 50.7 | Low | 50.9 | Low | 64 Ų | 64 | 75 Ų | 75 | 30% | 0.299 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 116.8 | 179.2 | -63.9 | -165.1 | 157 | 0 | 0 | 110.6 | F396 M433 | F396-E398 PolarHBondContact O-N 3.47Å; F396-E398 VanDerWaalsContact O-N 3.13Å; E398-M433 WeakPolarHBondContact OE2-CE 3.2Å |
| 399 | R | 45.5 | Very low | 50.6 | Low | 125 Ų | 125 | 73 Ų | 73 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 145.2 | 164.1 | 147.2 | 176.4 | 160.6 | -169.3 | -19.1 | 108.5 | D352 F401 E405 | D352-R399 IonicContact OD1-CZ 3.43Å; D352-R399 IonicContact OD1-NH1 3.59Å; D352-R399 IonicContact OD1-NH2 2.85Å; D352-R399 IonicContact OD2-CZ 2.73Å; D352-R399 IonicContact OD2-NH1 3.35Å; D352-R399 PolarHBondContact OD2-NH1 3.46Å; R399-F401 PolarHBondContact O-N 2.82Å; R399-E405 IonicContact NH2-OE1 2.8Å; R399-E405 IonicContact NH2-OE2 2.66Å |
| 400 | P | 47.2 | Very low | 50.4 | Low | 111 Ų | 111 | 73.3 Ų | 73.3 | 72% | 0.721 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 132.1 | 167.4 | 22.6 | -31.8 | 0 | 0 | 0 | 112 | ||
| 401 | F | 52.9 | Low | 50.6 | Low | 26 Ų | 26 | 73.7 Ų | 73.7 | 11% | 0.114 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 146.2 | 176.6 | -61.6 | -82.4 | 0 | 0 | 0 | 111.7 | Y348 R399 E405 Q406 M409 F414 R417 M433 | Y348-F401 HydrophobicContact CE2-CE1 4.35Å; Y348-F401 WeakPolarHBondContact OH-CD1 3.43Å; R399-F401 PolarHBondContact O-N 2.82Å; F401-E405 HydrophobicContact CB-CB 4.24Å; F401-E405 HydrophobicContact CD1-CB 4.2Å; F401-Q406 HydrophobicContact CB-CG 3.93Å; F401-M409 HydrophobicContact CD1-SD 3.93Å; F401-M409 HydrophobicContact CE1-CE 4.3Å; F401-M409 HydrophobicContact CE1-SD 3.43Å; F401-M409 WeakPolarHBondContact CE1-SD 3.5Å; F401-M409 HydrophobicContact CZ-CE 4.29Å; F401-M409 HydrophobicContact CZ-SD 3.8Å; F401-F414 AromaticContact CD2-CE1 3.82Å; F401-F414 HydrophobicContact CD2-CE1 3.82Å; F401-F414 HydrophobicContact CE2-CD1 4.3Å; F401-F414 AromaticContact CE2-CE1 3.68Å; F401-F414 HydrophobicContact CE2-CE1 3.68Å; F401-F414 HydrophobicContact CG-CE1 4.36Å; F401-F414 HydrophobicContact CZ-CE1 4.1Å; F401-R417 VanDerWaalsContact CZ-NH1 3.27Å; F401-M433 HydrophobicContact CE2-CE 4.29Å; F401-M433 HydrophobicContact CE2-SD 3.82Å |
| 402 | S | 53.4 | Low | 51 | Low | 44 Ų | 44 | 79.5 Ų | 79.5 | 31% | 0.308 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 158.7 | 166.1 | 65.3 | 0 | 0 | 0 | 0 | 111.1 | E404 E405 Q406 | S402-E404 PolarHBondContact O-N 3.43Å; S402-E405 WeakPolarHBondContact CB-OE2 3.43Å; S402-E405 PolarHBondContact N-OE2 3.4Å; S402-E405 PolarHBondContact O-N 2.82Å; S402-E405 VanDerWaalsContact O-N 3.12Å; S402-E405 VanDerWaalsContact OG-CG 3.24Å; S402-E405 WeakPolarHBondContact OG-CG 3.32Å; S402-E405 PolarHBondContact OG-N 2.78Å; S402-E405 PolarHBondContact OG-OE2 3.39Å; S402-Q406 WeakPolarHBondContact O-CG 3.26Å; S402-Q406 PolarHBondContact O-N 2.78Å |
| 403 | S | 53.5 | Low | 51.4 | Low | 86 Ų | 86 | 75.6 Ų | 75.6 | 60% | 0.601 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -58.5 | -32.4 | 179 | -45.1 | 0 | 0 | 0 | 0 | 112.8 | Q407 | S403-Q407 WeakPolarHBondContact O-CG 3.48Å; S403-Q407 PolarHBondContact O-N 2.87Å |
| 404 | E | 53 | Low | 52.4 | Low | 141 Ų | 141 | 66.2 Ų | 66.2 | 66% | 0.659 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -69.8 | -40.6 | 177.4 | -66.7 | 170.2 | 178.6 | 0 | 0 | 111.8 | S402 S408 | S402-E404 PolarHBondContact O-N 3.43Å; E404-S408 VanDerWaalsContact O-CB 3.28Å; E404-S408 WeakPolarHBondContact O-CB 3.36Å; E404-S408 PolarHBondContact O-N 2.8Å |
| 405 | E | 50.5 | Low | 53.6 | Low | 23 Ų | 23 | 65.5 Ų | 65.5 | 11% | 0.107 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.4 | -39 | 175.1 | -69.2 | 162.1 | 141.3 | 0 | 0 | 110.9 | Y348 R399 F401 S402 Q407 S408 M409 | Y348-E405 PolarHBondContact OH-OE1 3.46Å; Y348-E405 PolarHBondContact OH-OE2 2.96Å; R399-E405 IonicContact NH2-OE1 2.8Å; R399-E405 IonicContact NH2-OE2 2.66Å; F401-E405 HydrophobicContact CB-CB 4.24Å; F401-E405 HydrophobicContact CD1-CB 4.2Å; S402-E405 WeakPolarHBondContact CB-OE2 3.43Å; S402-E405 PolarHBondContact N-OE2 3.4Å; S402-E405 PolarHBondContact O-N 2.82Å; S402-E405 VanDerWaalsContact O-N 3.12Å; S402-E405 VanDerWaalsContact OG-CG 3.24Å; S402-E405 WeakPolarHBondContact OG-CG 3.32Å; S402-E405 PolarHBondContact OG-N 2.78Å; S402-E405 PolarHBondContact OG-OE2 3.39Å; E405-Q407 PolarHBondContact O-N 2.85Å; E405-S408 PolarHBondContact O-N 2.76Å; E405-M409 WeakPolarHBondContact O-CG 3.49Å; E405-M409 PolarHBondContact O-N 3.37Å |
| 406 | Q | 57.8 | Low | 54.7 | Low | 70 Ų | 70 | 64.7 Ų | 64.7 | 33% | 0.327 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 176.1 | -73.3 | 176.7 | -23.3 | 0 | 0 | 113.1 | F401 S402 S408 F414 N436 | F401-Q406 HydrophobicContact CB-CG 3.93Å; S402-Q406 WeakPolarHBondContact O-CG 3.26Å; S402-Q406 PolarHBondContact O-N 2.78Å; Q406-S408 VanDerWaalsContact C-N 3.27Å; Q406-S408 PolarHBondContact O-N 2.87Å; Q406-F414 HydrophobicContact CG-CZ 4.43Å; Q406-N436 PolarHBondContact NE2-OD1 3.39Å; Q406-N436 VanDerWaalsContact NE2-OD1 3.09Å |
| 407 | Q | 56.5 | Low | 55.7 | Low | 174 Ų | 174 | 64.4 Ų | 64.4 | 81% | 0.813 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -72.8 | -21.2 | 177.4 | -72.3 | 178 | -1.3 | 0 | 0 | 113.5 | S403 E405 | S403-Q407 WeakPolarHBondContact O-CG 3.48Å; S403-Q407 PolarHBondContact O-N 2.87Å; E405-Q407 PolarHBondContact O-N 2.85Å |
| 408 | S | 49 | Very low | 57.2 | Low | 31 Ų | 31 | 60.4 Ų | 60.4 | 22% | 0.217 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -94.6 | -27.4 | -172.9 | 156.3 | 0 | 0 | 0 | 0 | 113.2 | L364 I367 E404 E405 Q406 | L364-S408 WeakPolarHBondContact CD2-OG 3.15Å; I367-S408 VanDerWaalsContact CD1-OG 3.27Å; I367-S408 WeakPolarHBondContact CD1-OG 3.19Å; E404-S408 VanDerWaalsContact O-CB 3.28Å; E404-S408 WeakPolarHBondContact O-CB 3.36Å; E404-S408 PolarHBondContact O-N 2.8Å; E405-S408 PolarHBondContact O-N 2.76Å; Q406-S408 VanDerWaalsContact C-N 3.27Å; Q406-S408 PolarHBondContact O-N 2.87Å |
| 409 | M | 52.8 | Low | 58.3 | Low | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.059 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -76.6 | 138.2 | -176.4 | -80.3 | -171.8 | 80.8 | 0 | 0 | 111.2 | I367 N371 F401 E405 D411 F414 | I367-M409 HydrophobicContact CG2-CB 4.47Å; I367-M409 HydrophobicContact CG2-CG 3.45Å; I367-M409 VanDerWaalsContact CG2-CG 3.45Å; I367-M409 HydrophobicContact CG2-SD 4.47Å; N371-M409 WeakPolarHBondContact OD1-CE 3.27Å; F401-M409 HydrophobicContact CD1-SD 3.93Å; F401-M409 HydrophobicContact CE1-CE 4.3Å; F401-M409 HydrophobicContact CE1-SD 3.43Å; F401-M409 WeakPolarHBondContact CE1-SD 3.5Å; F401-M409 HydrophobicContact CZ-CE 4.29Å; F401-M409 HydrophobicContact CZ-SD 3.8Å; E405-M409 WeakPolarHBondContact O-CG 3.49Å; E405-M409 PolarHBondContact O-N 3.37Å; M409-D411 PolarHBondContact O-N 3.37Å; M409-F414 HydrophobicContact CB-CD2 4.21Å; M409-F414 HydrophobicContact CB-CE2 3.37Å; M409-F414 HydrophobicContact CB-CZ 3.59Å; M409-F414 HydrophobicContact CE-CE1 4.48Å; M409-F414 HydrophobicContact CE-CZ 4.49Å; M409-F414 HydrophobicContact CG-CE2 4.34Å; M409-F414 HydrophobicContact CG-CZ 4.08Å; M409-F414 HydrophobicContact SD-CE1 3.83Å; M409-F414 HydrophobicContact SD-CE2 4.28Å; M409-F414 HydrophobicContact SD-CZ 3.57Å; M409-F414 VanDerWaalsContact SD-CZ 3.57Å |
| 410 | L | 54.9 | Low | 59.2 | Low | 99 Ų | 99 | 52.6 Ų | 52.6 | 52% | 0.518 | 28% | 0.275 | S | S | . | . | trans | -63.2 | 132.4 | 170.2 | -65.1 | 170.2 | 0 | 0 | 0 | 109.5 | E412 S413 | L410-E412 PolarHBondContact O-N 3.07Å; L410-S413 WeakPolarHBondContact O-CB 3.3Å; L410-S413 PolarHBondContact O-N 3.28Å | ||
| 411 | D | 60.8 | Low | 60.2 | Low | 38 Ų | 38 | 47.5 Ų | 47.5 | 20% | 0.203 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -45.8 | -38 | 177.1 | -88.1 | -14.8 | 0 | 0 | 0 | 113.9 | M409 S413 F414 F415 T438 S439 | M409-D411 PolarHBondContact O-N 3.37Å; D411-S413 PolarHBondContact O-N 3.16Å; D411-F414 PolarHBondContact O-N 3.11Å; D411-F415 PolarHBondContact O-N 3.11Å; D411-F415 VanDerWaalsContact O-N 3.14Å; D411-T438 PolarHBondContact OD1-N 3.23Å; D411-T438 PolarHBondContact OD1-OG1 2.88Å; D411-T438 VanDerWaalsContact OD2-C 3.25Å; D411-T438 VanDerWaalsContact OD2-CA 3.31Å; D411-T438 WeakPolarHBondContact OD2-CA 3.02Å; D411-T438 WeakPolarHBondContact OD2-CB 3.42Å; D411-T438 PolarHBondContact OD2-N 2.83Å; D411-T438 VanDerWaalsContact OD2-N 3.12Å; D411-T438 PolarHBondContact OD2-OG1 2.94Å; D411-S439 PolarHBondContact OD2-N 3.23Å |
| 412 | E | 62 | Low | 61.1 | Low | 124 Ų | 124 | 46.4 Ų | 46.4 | 58% | 0.579 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -56.2 | -36.5 | 178.7 | -68.1 | -178.1 | 169.5 | 0 | 0 | 111.9 | L410 F415 Y416 | L410-E412 PolarHBondContact O-N 3.07Å; E412-F415 WeakPolarHBondContact O-CB 3.39Å; E412-F415 PolarHBondContact O-N 3.17Å; E412-Y416 HydrophobicContact CB-CD2 4.26Å; E412-Y416 HydrophobicContact CB-CE2 3.94Å; E412-Y416 WeakPolarHBondContact O-CD2 3.49Å; E412-Y416 PolarHBondContact O-N 2.73Å |
| 413 | S | 60 | Low | 61.7 | Low | 8 Ų | 8 | 45.1 Ų | 45.1 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.9 | -40.6 | -176.2 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | N371 L410 D411 F415 R417 | N371-S413 WeakPolarHBondContact CB-OG 3.45Å; N371-S413 VanDerWaalsContact CG-CB 3.5Å; N371-S413 PolarHBondContact ND2-OG 3.3Å; L410-S413 WeakPolarHBondContact O-CB 3.3Å; L410-S413 PolarHBondContact O-N 3.28Å; D411-S413 PolarHBondContact O-N 3.16Å; S413-F415 VanDerWaalsContact C-N 3.34Å; S413-R417 WeakPolarHBondContact O-CG 3.37Å; S413-R417 PolarHBondContact O-N 2.98Å; S413-R417 VanDerWaalsContact O-N 3.13Å |
| 414 | F | 65.4 | Low | 62.1 | Low | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -39.8 | 173.9 | -69.2 | -63.4 | 0 | 0 | 0 | 111.2 | F401 Q406 M409 D411 R417 A418 M433 N436 C437 | F401-F414 AromaticContact CD2-CE1 3.82Å; F401-F414 HydrophobicContact CD2-CE1 3.82Å; F401-F414 HydrophobicContact CE2-CD1 4.3Å; F401-F414 AromaticContact CE2-CE1 3.68Å; F401-F414 HydrophobicContact CE2-CE1 3.68Å; F401-F414 HydrophobicContact CG-CE1 4.36Å; F401-F414 HydrophobicContact CZ-CE1 4.1Å; Q406-F414 HydrophobicContact CG-CZ 4.43Å; M409-F414 HydrophobicContact CB-CD2 4.21Å; M409-F414 HydrophobicContact CB-CE2 3.37Å; M409-F414 HydrophobicContact CB-CZ 3.59Å; M409-F414 HydrophobicContact CE-CE1 4.48Å; M409-F414 HydrophobicContact CE-CZ 4.49Å; M409-F414 HydrophobicContact CG-CE2 4.34Å; M409-F414 HydrophobicContact CG-CZ 4.08Å; M409-F414 HydrophobicContact SD-CE1 3.83Å; M409-F414 HydrophobicContact SD-CE2 4.28Å; M409-F414 HydrophobicContact SD-CZ 3.57Å; M409-F414 VanDerWaalsContact SD-CZ 3.57Å; D411-F414 PolarHBondContact O-N 3.11Å; F414-R417 PolarHBondContact O-N 3.02Å; F414-A418 WeakPolarHBondContact O-CB 3.31Å; F414-A418 PolarHBondContact O-N 3.05Å; F414-M433 HydrophobicContact CB-CG 4.48Å; F414-M433 HydrophobicContact CD1-CG 4.29Å; F414-M433 HydrophobicContact CD1-SD 3.78Å; F414-M433 HydrophobicContact CE1-SD 4.38Å; F414-M433 WeakPolarHBondContact O-CG 3.04Å; F414-N436 HydrophobicContact CD1-CB 3.98Å; F414-N436 HydrophobicContact CD2-CB 4.02Å; F414-N436 HydrophobicContact CE1-CB 4.04Å; F414-N436 HydrophobicContact CE2-CB 4.06Å; F414-N436 HydrophobicContact CG-CB 3.99Å; F414-N436 HydrophobicContact CZ-CB 4.09Å; F414-C437 WeakPolarHBondContact CB-SG 3.09Å |
| 415 | F | 68.1 | Low | 62.7 | Low | 17 Ų | 17 | 36.7 Ų | 36.7 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 177.3 | 177.7 | -112.9 | 0 | 0 | 0 | 112.7 | D411 E412 S413 A418 K419 L434 T441 A442 L445 | D411-F415 PolarHBondContact O-N 3.11Å; D411-F415 VanDerWaalsContact O-N 3.14Å; E412-F415 WeakPolarHBondContact O-CB 3.39Å; E412-F415 PolarHBondContact O-N 3.17Å; S413-F415 VanDerWaalsContact C-N 3.34Å; F415-A418 WeakPolarHBondContact O-CB 3.42Å; F415-A418 PolarHBondContact O-N 2.96Å; F415-K419 HydrophobicContact CD1-CD 4.5Å; F415-K419 HydrophobicContact CE1-CD 4.09Å; F415-K419 HydrophobicContact CZ-CD 4.24Å; F415-K419 PolarHBondContact O-N 2.95Å; F415-L434 HydrophobicContact CD2-CD2 4.22Å; F415-T441 HydrophobicContact CE1-CG2 4.28Å; F415-T441 HydrophobicContact CE2-CG2 3.96Å; F415-T441 HydrophobicContact CZ-CG2 3.52Å; F415-A442 HydrophobicContact CB-CB 4.28Å; F415-A442 HydrophobicContact CD2-CB 3.67Å; F415-A442 HydrophobicContact CE2-CB 4.4Å; F415-A442 HydrophobicContact CG-CB 4.34Å; F415-L445 HydrophobicContact CD2-CD2 4.16Å; F415-L445 HydrophobicContact CE2-CB 4.18Å; F415-L445 HydrophobicContact CE2-CD2 3.78Å |
| 416 | Y | 68.1 | Low | 63.6 | Low | 61 Ų | 61 | 38.3 Ų | 38.3 | 24% | 0.239 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.1 | -38.5 | 177.9 | -70.2 | -59.4 | 0 | 0 | 0 | 112.7 | E378 E412 K419 L420 | E378-Y416 HydrophobicContact CG-CD1 4.24Å; E378-Y416 WeakPolarHBondContact OE1-CD1 3.27Å; E412-Y416 HydrophobicContact CB-CD2 4.26Å; E412-Y416 HydrophobicContact CB-CE2 3.94Å; E412-Y416 WeakPolarHBondContact O-CD2 3.49Å; E412-Y416 PolarHBondContact O-N 2.73Å; Y416-K419 WeakPolarHBondContact O-CB 3.28Å; Y416-K419 PolarHBondContact O-N 3.36Å; Y416-L420 PolarHBondContact O-N 3.46Å |
| 417 | R | 68.1 | Low | 64.5 | Low | 13 Ų | 13 | 35 Ų | 35 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 173.3 | -72 | -177.4 | -166.9 | -153 | 15.2 | 112 | N371 W374 F401 S413 F414 K419 L420 L421 M433 | N371-R417 PolarHBondContact OD1-NH2 3.48Å; W374-R417 VanDerWaalsContact NE1-NH2 3.2Å; F401-R417 VanDerWaalsContact CZ-NH1 3.27Å; S413-R417 WeakPolarHBondContact O-CG 3.37Å; S413-R417 PolarHBondContact O-N 2.98Å; S413-R417 VanDerWaalsContact O-N 3.13Å; F414-R417 PolarHBondContact O-N 3.02Å; R417-K419 VanDerWaalsContact C-N 3.3Å; R417-K419 PolarHBondContact O-N 3.23Å; R417-L420 WeakPolarHBondContact O-CB 3.22Å; R417-L420 PolarHBondContact O-N 2.82Å; R417-L421 WeakPolarHBondContact O-CG 3.5Å; R417-L421 PolarHBondContact O-N 3.03Å; R417-M433 HydrophobicContact CB-CE 4.47Å; R417-M433 HydrophobicContact CB-CG 4.11Å |
| 418 | A | 71.8 | Confident | 65.4 | Low | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.4 | -41.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F414 F415 L420 L421 L422 M433 L434 | F414-A418 WeakPolarHBondContact O-CB 3.31Å; F414-A418 PolarHBondContact O-N 3.05Å; F415-A418 WeakPolarHBondContact O-CB 3.42Å; F415-A418 PolarHBondContact O-N 2.96Å; A418-L420 PolarHBondContact O-N 2.63Å; A418-L421 PolarHBondContact O-N 3.19Å; A418-L422 WeakPolarHBondContact O-CG 3.41Å; A418-L422 PolarHBondContact O-N 3.13Å; A418-M433 HydrophobicContact CB-CB 4.16Å; A418-M433 HydrophobicContact CB-CG 4.42Å; A418-L434 HydrophobicContact CB-CD1 4.12Å; A418-L434 HydrophobicContact CB-CD2 3.54Å; A418-L434 HydrophobicContact CB-CG 3.5Å; A418-L434 VanDerWaalsContact CB-CG 3.5Å |
| 419 | K | 72.4 | Confident | 66.5 | Low | 17 Ų | 17 | 31.2 Ų | 31.2 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.1 | -42.9 | 174.7 | -75.1 | -177.4 | 169.6 | -178.4 | 0 | 112.7 | E378 F415 Y416 R417 L421 L422 H423 L445 E500 | E378-K419 WeakPolarHBondContact OE1-CD 3.5Å; F415-K419 HydrophobicContact CD1-CD 4.5Å; F415-K419 HydrophobicContact CE1-CD 4.09Å; F415-K419 HydrophobicContact CZ-CD 4.24Å; F415-K419 PolarHBondContact O-N 2.95Å; Y416-K419 WeakPolarHBondContact O-CB 3.28Å; Y416-K419 PolarHBondContact O-N 3.36Å; R417-K419 VanDerWaalsContact C-N 3.3Å; R417-K419 PolarHBondContact O-N 3.23Å; K419-L421 VanDerWaalsContact C-N 3.31Å; K419-L421 PolarHBondContact O-N 3.24Å; K419-L422 PolarHBondContact O-N 2.82Å; K419-H423 PolarHBondContact O-CD2 3.33Å; K419-H423 VanDerWaalsContact O-CD2 3.23Å; K419-H423 PolarHBondContact O-N 2.82Å; K419-L445 HydrophobicContact CG-CD2 4.18Å; K419-E500 WeakPolarHBondContact CE-OE1 3.3Å; K419-E500 IonicContact NZ-OE1 3Å; K419-E500 PolarHBondContact NZ-OE1 3.01Å |
| 420 | L | 65.7 | Low | 67.7 | Low | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.5 | -40.9 | 174.8 | -78.8 | 155.7 | 0 | 0 | 0 | 112.2 | W374 I377 E378 I381 Y416 R417 A418 H423 R424 | W374-L420 HydrophobicContact CE3-CD1 4.28Å; I377-L420 HydrophobicContact CG2-CD1 4.46Å; I377-L420 HydrophobicContact CG2-CD2 3.99Å; E378-L420 HydrophobicContact CB-CD1 3.99Å; E378-L420 HydrophobicContact CB-CD2 4.44Å; E378-L420 HydrophobicContact CB-CG 4.18Å; E378-L420 HydrophobicContact CG-CD1 4.12Å; E378-L420 HydrophobicContact CG-CD2 4.37Å; E378-L420 HydrophobicContact CG-CG 3.88Å; I381-L420 HydrophobicContact CD1-CD2 3.41Å; I381-L420 VanDerWaalsContact CD1-CD2 3.41Å; Y416-L420 PolarHBondContact O-N 3.46Å; R417-L420 WeakPolarHBondContact O-CB 3.22Å; R417-L420 PolarHBondContact O-N 2.82Å; A418-L420 PolarHBondContact O-N 2.63Å; L420-H423 WeakPolarHBondContact O-CB 3.49Å; L420-H423 PolarHBondContact O-N 3.46Å; L420-R424 WeakPolarHBondContact O-CG 3.35Å; L420-R424 PolarHBondContact O-N 3.31Å |
| 421 | L | 68.5 | Low | 69 | Low | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.6 | -40.5 | 176.6 | -67.5 | 166 | 0 | 0 | 0 | 111.7 | R417 A418 K419 R424 G425 E426 E429 A430 M433 | R417-L421 WeakPolarHBondContact O-CG 3.5Å; R417-L421 PolarHBondContact O-N 3.03Å; A418-L421 PolarHBondContact O-N 3.19Å; K419-L421 VanDerWaalsContact C-N 3.31Å; K419-L421 PolarHBondContact O-N 3.24Å; L421-R424 PolarHBondContact O-N 3.38Å; L421-R424 VanDerWaalsContact O-N 3.11Å; L421-G425 PolarHBondContact O-N 2.94Å; L421-E426 HydrophobicContact CB-CB 4.45Å; L421-E426 HydrophobicContact CD2-CB 4.38Å; L421-E426 VanDerWaalsContact CD2-OE2 3.26Å; L421-E426 WeakPolarHBondContact CD2-OE2 3.4Å; L421-E426 PolarHBondContact O-N 3.46Å; L421-E429 HydrophobicContact CD1-CB 4.02Å; L421-E429 HydrophobicContact CD2-CB 4.08Å; L421-A430 HydrophobicContact CB-CB 3.74Å; L421-M433 HydrophobicContact CD1-CB 4.24Å; L421-M433 HydrophobicContact CD1-CE 4.07Å |
| 422 | L | 70.5 | Confident | 69.8 | Low | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 173 | -68.5 | 174.5 | 0 | 0 | 0 | 112.1 | A418 K419 R424 G425 A430 L445 L449 I504 A507 | A418-L422 WeakPolarHBondContact O-CG 3.41Å; A418-L422 PolarHBondContact O-N 3.13Å; K419-L422 PolarHBondContact O-N 2.82Å; L422-R424 PolarHBondContact O-N 2.88Å; L422-G425 PolarHBondContact O-N 3.09Å; L422-A430 HydrophobicContact CD2-CB 3.74Å; L422-A430 HydrophobicContact CG-CB 3.77Å; L422-L445 HydrophobicContact CD1-CD1 4.15Å; L422-L445 HydrophobicContact CD1-CD2 3.96Å; L422-L445 HydrophobicContact CD1-CG 4.2Å; L422-L449 HydrophobicContact CD2-CD1 3.64Å; L422-L449 HydrophobicContact CD2-CD2 4.01Å; L422-L449 HydrophobicContact CD2-CG 4.43Å; L422-I504 HydrophobicContact CD1-CG1 4.02Å; L422-A507 HydrophobicContact CD2-CB 4.15Å; L422-A507 VanDerWaalsContact O-CB 3.28Å; L422-A507 WeakPolarHBondContact O-CB 3.4Å |
| 423 | H | 66.5 | Low | 70.4 | Confident | 18 Ų | 18 | 26.3 Ų | 26.3 | 8% | 0.083 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.1 | -22.9 | 174.2 | -88.4 | -73.5 | 0 | 0 | 0 | 113.4 | Y392 K419 L420 L503 | Y392-H423 WeakPolarHBondContact CE1-O 3.46Å; Y392-H423 PolarHBondContact OH-O 3.44Å; Y392-H423 VanDerWaalsContact OH-O 3.06Å; K419-H423 PolarHBondContact O-CD2 3.33Å; K419-H423 VanDerWaalsContact O-CD2 3.23Å; K419-H423 PolarHBondContact O-N 2.82Å; L420-H423 WeakPolarHBondContact O-CB 3.49Å; L420-H423 PolarHBondContact O-N 3.46Å; H423-L503 HydrophobicContact CB-CD2 4.31Å; H423-L503 WeakPolarHBondContact CE1-CD2 3.4Å; H423-L503 VanDerWaalsContact CG-CD2 3.48Å; H423-L503 VanDerWaalsContact ND1-CD2 3.26Å; H423-L503 WeakPolarHBondContact ND1-CD2 3.49Å |
| 424 | R | 61.5 | Low | 71.4 | Confident | 32 Ų | 32 | 26 Ų | 26 | 12% | 0.121 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -4.2 | -179.2 | -68.1 | 171.7 | 69.2 | -125.9 | -17.5 | 114 | F394 L420 L421 L422 E426 | F394-R424 PolarHBondContact O-NE 2.82Å; F394-R424 PolarHBondContact O-NH2 2.91Å; F394-R424 VanDerWaalsContact O-NH2 3.17Å; L420-R424 WeakPolarHBondContact O-CG 3.35Å; L420-R424 PolarHBondContact O-N 3.31Å; L421-R424 PolarHBondContact O-N 3.38Å; L421-R424 VanDerWaalsContact O-N 3.11Å; L422-R424 PolarHBondContact O-N 2.88Å; R424-E426 HydrophobicContact CB-CG 4.39Å; R424-E426 IonicContact CZ-OE1 2.89Å; R424-E426 IonicContact CZ-OE2 3.74Å; R424-E426 VanDerWaalsContact NH1-CD 3.3Å; R424-E426 IonicContact NH1-OE1 3.59Å; R424-E426 PolarHBondContact NH1-OE1 3.19Å; R424-E426 IonicContact NH1-OE2 2.96Å; R424-E426 PolarHBondContact NH1-OE2 3.17Å; R424-E426 IonicContact NH2-OE1 3.52Å; R424-E426 PolarHBondContact NH2-OE1 2.83Å; R424-E426 IonicContact NH2-OE2 3.6Å |
| 425 | G | 67 | Low | 71.8 | Confident | 17 Ų | 17 | 32.2 Ų | 32.2 | 18% | 0.175 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 29 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L421 L422 P427 | L421-G425 PolarHBondContact O-N 2.94Å; L422-G425 PolarHBondContact O-N 3.09Å; G425-P427 WeakPolarHBondContact O-CD 3.47Å |
| 426 | E | 68 | Low | 71.9 | Confident | 57 Ų | 57 | 33.5 Ų | 33.5 | 27% | 0.266 | 15% | 0.147 | S | C | . | . | trans | -106.4 | 68.3 | 175.2 | -67.5 | -178.5 | 179.7 | 0 | 0 | 110.8 | L421 R424 I428 E429 A430 | L421-E426 HydrophobicContact CB-CB 4.45Å; L421-E426 HydrophobicContact CD2-CB 4.38Å; L421-E426 VanDerWaalsContact CD2-OE2 3.26Å; L421-E426 WeakPolarHBondContact CD2-OE2 3.4Å; L421-E426 PolarHBondContact O-N 3.46Å; R424-E426 HydrophobicContact CB-CG 4.39Å; R424-E426 IonicContact CZ-OE1 2.89Å; R424-E426 IonicContact CZ-OE2 3.74Å; R424-E426 VanDerWaalsContact NH1-CD 3.3Å; R424-E426 IonicContact NH1-OE1 3.59Å; R424-E426 PolarHBondContact NH1-OE1 3.19Å; R424-E426 IonicContact NH1-OE2 2.96Å; R424-E426 PolarHBondContact NH1-OE2 3.17Å; R424-E426 IonicContact NH2-OE1 3.52Å; R424-E426 PolarHBondContact NH2-OE1 2.83Å; R424-E426 IonicContact NH2-OE2 3.6Å; E426-I428 VanDerWaalsContact C-N 3.34Å; E426-I428 PolarHBondContact O-N 3.25Å; E426-E429 HydrophobicContact CB-CB 4.31Å; E426-A430 WeakPolarHBondContact O-CB 3.17Å; E426-A430 PolarHBondContact O-N 3.06Å; E426-A430 VanDerWaalsContact O-N 3.1Å | ||
| 427 | P | 78 | Confident | 72.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.8 | -25.8 | -170.9 | 29.9 | -37.5 | 0 | 0 | 0 | 113.5 | G425 E431 L449 L453 T508 F512 | G425-P427 WeakPolarHBondContact O-CD 3.47Å; P427-E431 WeakPolarHBondContact O-CB 3.3Å; P427-E431 PolarHBondContact O-N 3.43Å; P427-L449 HydrophobicContact CB-CD1 3.79Å; P427-L453 HydrophobicContact CB-CD2 3.99Å; P427-L453 HydrophobicContact CG-CD2 4.04Å; P427-T508 HydrophobicContact CB-CG2 4.41Å; P427-F512 HydrophobicContact CG-CE2 4.23Å; P427-F512 HydrophobicContact CG-CZ 4.1Å |
| 428 | I | 74.1 | Confident | 72.1 | Confident | 51 Ų | 51 | 36.5 Ų | 36.5 | 26% | 0.262 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -74.2 | -42.7 | -178.9 | -61.4 | 175.7 | 0 | 0 | 0 | 110.3 | E426 E431 R432 F512 | E426-I428 VanDerWaalsContact C-N 3.34Å; E426-I428 PolarHBondContact O-N 3.25Å; I428-E431 PolarHBondContact O-N 3.08Å; I428-R432 WeakPolarHBondContact O-CG 3.18Å; I428-R432 PolarHBondContact O-N 3.09Å; I428-R432 VanDerWaalsContact O-N 3.09Å; I428-F512 HydrophobicContact CD1-CZ 4.14Å; I428-F512 HydrophobicContact CG1-CZ 4.48Å |
| 429 | E | 73.4 | Confident | 72.1 | Confident | 76 Ų | 76 | 37.7 Ų | 37.7 | 36% | 0.355 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.2 | -43.2 | 175.5 | -68.3 | 69.1 | -157.2 | 0 | 0 | 110.2 | L421 E426 E431 R432 M433 | L421-E429 HydrophobicContact CD1-CB 4.02Å; L421-E429 HydrophobicContact CD2-CB 4.08Å; E426-E429 HydrophobicContact CB-CB 4.31Å; E429-E431 VanDerWaalsContact C-N 3.34Å; E429-E431 PolarHBondContact O-N 3.44Å; E429-R432 PolarHBondContact O-N 3.4Å; E429-M433 PolarHBondContact O-N 2.87Å |
| 430 | A | 77 | Confident | 72 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | L421 L422 E426 R432 M433 L434 L449 | L421-A430 HydrophobicContact CB-CB 3.74Å; L422-A430 HydrophobicContact CD2-CB 3.74Å; L422-A430 HydrophobicContact CG-CB 3.77Å; E426-A430 WeakPolarHBondContact O-CB 3.17Å; E426-A430 PolarHBondContact O-N 3.06Å; E426-A430 VanDerWaalsContact O-N 3.1Å; A430-R432 PolarHBondContact O-N 2.96Å; A430-M433 WeakPolarHBondContact O-CB 3.32Å; A430-M433 PolarHBondContact O-N 3.47Å; A430-L434 WeakPolarHBondContact O-CG 3.25Å; A430-L434 PolarHBondContact O-N 2.85Å; A430-L449 HydrophobicContact CB-CD2 3.97Å |
| 431 | E | 82.7 | Confident | 72.2 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -46.4 | 177.3 | -173.3 | -78.6 | 139.8 | 0 | 0 | 111.5 | P427 I428 E429 M433 L434 R435 H446 L449 L453 Y473 | P427-E431 WeakPolarHBondContact O-CB 3.3Å; P427-E431 PolarHBondContact O-N 3.43Å; I428-E431 PolarHBondContact O-N 3.08Å; E429-E431 VanDerWaalsContact C-N 3.34Å; E429-E431 PolarHBondContact O-N 3.44Å; E431-M433 VanDerWaalsContact C-N 3.27Å; E431-M433 PolarHBondContact O-N 3.48Å; E431-L434 PolarHBondContact O-N 3.12Å; E431-R435 VanDerWaalsContact CD-NH2 3.3Å; E431-R435 PolarHBondContact O-N 3.45Å; E431-R435 IonicContact OE1-CZ 2.83Å; E431-R435 VanDerWaalsContact OE1-CZ 3.28Å; E431-R435 IonicContact OE1-NE 3.82Å; E431-R435 PolarHBondContact OE1-NE 3.13Å; E431-R435 IonicContact OE1-NH2 3.96Å; E431-R435 PolarHBondContact OE1-NH2 3.43Å; E431-R435 IonicContact OE2-CZ 3.44Å; E431-R435 IonicContact OE2-NE 3.67Å; E431-R435 PolarHBondContact OE2-NE 2.8Å; E431-R435 IonicContact OE2-NH2 3.53Å; E431-R435 PolarHBondContact OE2-NH2 2.99Å; E431-H446 IonicContact OE1-CD2 2.78Å; E431-H446 IonicContact OE1-CE1 3.63Å; E431-H446 IonicContact OE1-NE2 2.85Å; E431-H446 PolarHBondContact OE1-NE2 2.91Å; E431-L449 HydrophobicContact CB-CD2 3.81Å; E431-L449 HydrophobicContact CB-CG 4.43Å; E431-L453 HydrophobicContact CB-CD1 4.12Å; E431-L453 HydrophobicContact CG-CD1 4.23Å; E431-Y473 HydrophobicContact CG-CE1 4.46Å |
| 432 | R | 77.3 | Confident | 72.6 | Confident | 153 Ų | 153 | 42.4 Ų | 42.4 | 58% | 0.577 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -61.8 | -36.6 | 176.6 | -70.8 | 173.8 | -178 | 175.6 | 2.4 | 112.4 | I428 E429 A430 | I428-R432 WeakPolarHBondContact O-CG 3.18Å; I428-R432 PolarHBondContact O-N 3.09Å; I428-R432 VanDerWaalsContact O-N 3.09Å; E429-R432 PolarHBondContact O-N 3.4Å; A430-R432 PolarHBondContact O-N 2.96Å |
| 433 | M | 75.5 | Confident | 73 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.7 | -41.4 | 178.1 | -159.5 | 66.2 | 73.3 | 0 | 0 | 111.3 | E398 F401 F414 R417 A418 L421 E429 A430 E431 R435 N436 | E398-M433 WeakPolarHBondContact OE2-CE 3.2Å; F401-M433 HydrophobicContact CE2-CE 4.29Å; F401-M433 HydrophobicContact CE2-SD 3.82Å; F414-M433 HydrophobicContact CB-CG 4.48Å; F414-M433 HydrophobicContact CD1-CG 4.29Å; F414-M433 HydrophobicContact CD1-SD 3.78Å; F414-M433 HydrophobicContact CE1-SD 4.38Å; F414-M433 WeakPolarHBondContact O-CG 3.04Å; R417-M433 HydrophobicContact CB-CE 4.47Å; R417-M433 HydrophobicContact CB-CG 4.11Å; A418-M433 HydrophobicContact CB-CB 4.16Å; A418-M433 HydrophobicContact CB-CG 4.42Å; L421-M433 HydrophobicContact CD1-CB 4.24Å; L421-M433 HydrophobicContact CD1-CE 4.07Å; E429-M433 PolarHBondContact O-N 2.87Å; A430-M433 WeakPolarHBondContact O-CB 3.32Å; A430-M433 PolarHBondContact O-N 3.47Å; E431-M433 VanDerWaalsContact C-N 3.27Å; E431-M433 PolarHBondContact O-N 3.48Å; M433-R435 VanDerWaalsContact C-N 3.29Å; M433-R435 PolarHBondContact O-N 3.41Å; M433-N436 PolarHBondContact O-N 3.49Å |
| 434 | L | 79.1 | Confident | 73.5 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.8 | -25.8 | -179.6 | -71.6 | 167.5 | 0 | 0 | 0 | 113.9 | F415 A418 A430 E431 N436 C437 A442 L445 H446 L449 | F415-L434 HydrophobicContact CD2-CD2 4.22Å; A418-L434 HydrophobicContact CB-CD1 4.12Å; A418-L434 HydrophobicContact CB-CD2 3.54Å; A418-L434 HydrophobicContact CB-CG 3.5Å; A418-L434 VanDerWaalsContact CB-CG 3.5Å; A430-L434 WeakPolarHBondContact O-CG 3.25Å; A430-L434 PolarHBondContact O-N 2.85Å; E431-L434 PolarHBondContact O-N 3.12Å; L434-N436 PolarHBondContact O-N 3.28Å; L434-N436 VanDerWaalsContact O-N 3.09Å; L434-C437 WeakPolarHBondContact O-CB 3.38Å; L434-C437 PolarHBondContact O-N 3.18Å; L434-A442 HydrophobicContact CD2-CB 4.07Å; L434-L445 HydrophobicContact CD1-CB 4.34Å; L434-L445 HydrophobicContact CD1-CD2 4.04Å; L434-L445 HydrophobicContact CD1-CG 4.06Å; L434-L445 HydrophobicContact CD2-CD2 4.05Å; L434-H446 HydrophobicContact CB-CB 3.84Å; L434-H446 HydrophobicContact CD1-CB 4.16Å; L434-L449 HydrophobicContact CD1-CD2 3.92Å |
| 435 | R | 75.5 | Confident | 74.5 | Confident | 132 Ų | 132 | 43.7 Ų | 43.7 | 50% | 0.498 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.1 | 173.3 | -68.9 | -178.9 | -172 | -163.3 | 5.1 | 113.7 | E431 M433 C437 | E431-R435 VanDerWaalsContact CD-NH2 3.3Å; E431-R435 PolarHBondContact O-N 3.45Å; E431-R435 IonicContact OE1-CZ 2.83Å; E431-R435 VanDerWaalsContact OE1-CZ 3.28Å; E431-R435 IonicContact OE1-NE 3.82Å; E431-R435 PolarHBondContact OE1-NE 3.13Å; E431-R435 IonicContact OE1-NH2 3.96Å; E431-R435 PolarHBondContact OE1-NH2 3.43Å; E431-R435 IonicContact OE2-CZ 3.44Å; E431-R435 IonicContact OE2-NE 3.67Å; E431-R435 PolarHBondContact OE2-NE 2.8Å; E431-R435 IonicContact OE2-NH2 3.53Å; E431-R435 PolarHBondContact OE2-NH2 2.99Å; M433-R435 VanDerWaalsContact C-N 3.29Å; M433-R435 PolarHBondContact O-N 3.41Å; R435-C437 VanDerWaalsContact C-N 3.35Å |
| 436 | N | 69.9 | Low | 75.5 | Confident | 43 Ų | 43 | 43.5 Ų | 43.5 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -0.1 | -178.2 | -55 | -43.1 | 0 | 0 | 0 | 112.9 | Q406 F414 M433 L434 | Q406-N436 PolarHBondContact NE2-OD1 3.39Å; Q406-N436 VanDerWaalsContact NE2-OD1 3.09Å; F414-N436 HydrophobicContact CD1-CB 3.98Å; F414-N436 HydrophobicContact CD2-CB 4.02Å; F414-N436 HydrophobicContact CE1-CB 4.04Å; F414-N436 HydrophobicContact CE2-CB 4.06Å; F414-N436 HydrophobicContact CG-CB 3.99Å; F414-N436 HydrophobicContact CZ-CB 4.09Å; M433-N436 PolarHBondContact O-N 3.49Å; L434-N436 PolarHBondContact O-N 3.28Å; L434-N436 VanDerWaalsContact O-N 3.09Å |
| 437 | C | 71.4 | Confident | 76.3 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 11% | 0.108 | 21% | 0.21 | C | C | . | . | trans | -95.1 | 136.7 | 179.3 | -54.6 | 0 | 0 | 0 | 0 | 111 | F414 L434 R435 A442 | F414-C437 WeakPolarHBondContact CB-SG 3.09Å; L434-C437 WeakPolarHBondContact O-CB 3.38Å; L434-C437 PolarHBondContact O-N 3.18Å; R435-C437 VanDerWaalsContact C-N 3.35Å; C437-A442 HydrophobicContact CB-CB 3.2Å | ||
| 438 | T | 68.9 | Low | 76.7 | Confident | 121 Ų | 121 | 44.2 Ų | 44.2 | 74% | 0.742 | 22% | 0.222 | S | C | * | . | trans | -98 | -9.8 | 169.5 | 70.8 | 0 | 0 | 0 | 0 | 113.9 | D411 | D411-T438 PolarHBondContact OD1-N 3.23Å; D411-T438 PolarHBondContact OD1-OG1 2.88Å; D411-T438 VanDerWaalsContact OD2-C 3.25Å; D411-T438 VanDerWaalsContact OD2-CA 3.31Å; D411-T438 WeakPolarHBondContact OD2-CA 3.02Å; D411-T438 WeakPolarHBondContact OD2-CB 3.42Å; D411-T438 PolarHBondContact OD2-N 2.83Å; D411-T438 VanDerWaalsContact OD2-N 3.12Å; D411-T438 PolarHBondContact OD2-OG1 2.94Å | ||
| 439 | S | 71 | Confident | 77.2 | Confident | 26 Ų | 26 | 41.8 Ų | 41.8 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -67.4 | 140.7 | -177 | 85.4 | 0 | 0 | 0 | 0 | 112.3 | D411 T441 A442 A443 | D411-S439 PolarHBondContact OD2-N 3.23Å; S439-T441 PolarHBondContact O-N 3.45Å; S439-A442 PolarHBondContact O-N 2.76Å; S439-A442 VanDerWaalsContact O-N 3.15Å; S439-A442 VanDerWaalsContact OG-CB 3.26Å; S439-A442 WeakPolarHBondContact OG-CB 3.43Å; S439-A442 PolarHBondContact OG-N 3.42Å; S439-A442 VanDerWaalsContact OG-N 3.13Å; S439-A443 PolarHBondContact O-N 2.91Å |
| 440 | P | 70.8 | Confident | 77.9 | Confident | 59 Ų | 59 | 38.1 Ų | 38.1 | 38% | 0.383 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.7 | -37.3 | 177.1 | -26.3 | 34.1 | 0 | 0 | 0 | 112.8 | A443 R444 F491 | P440-A443 PolarHBondContact O-N 3.45Å; P440-R444 VanDerWaalsContact O-CG 3.29Å; P440-R444 WeakPolarHBondContact O-CG 3.32Å; P440-R444 PolarHBondContact O-N 3.2Å; P440-F491 HydrophobicContact CB-CZ 4.47Å; P440-F491 HydrophobicContact CG-CZ 4.42Å |
| 441 | T | 70.9 | Confident | 78.3 | Confident | 68 Ų | 68 | 42 Ų | 42 | 42% | 0.417 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.7 | -42.9 | 178.5 | -46.3 | 0 | 0 | 0 | 0 | 111.9 | F415 S439 R444 L445 | F415-T441 HydrophobicContact CE1-CG2 4.28Å; F415-T441 HydrophobicContact CE2-CG2 3.96Å; F415-T441 HydrophobicContact CZ-CG2 3.52Å; S439-T441 PolarHBondContact O-N 3.45Å; T441-R444 PolarHBondContact O-N 3.26Å; T441-L445 PolarHBondContact O-N 3.13Å; T441-L445 VanDerWaalsContact O-N 3.11Å |
| 442 | A | 76.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.4 | -39.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F415 L434 C437 S439 R444 L445 H446 | F415-A442 HydrophobicContact CB-CB 4.28Å; F415-A442 HydrophobicContact CD2-CB 3.67Å; F415-A442 HydrophobicContact CE2-CB 4.4Å; F415-A442 HydrophobicContact CG-CB 4.34Å; L434-A442 HydrophobicContact CD2-CB 4.07Å; C437-A442 HydrophobicContact CB-CB 3.2Å; S439-A442 PolarHBondContact O-N 2.76Å; S439-A442 VanDerWaalsContact O-N 3.15Å; S439-A442 VanDerWaalsContact OG-CB 3.26Å; S439-A442 WeakPolarHBondContact OG-CB 3.43Å; S439-A442 PolarHBondContact OG-N 3.42Å; S439-A442 VanDerWaalsContact OG-N 3.13Å; A442-R444 VanDerWaalsContact C-N 3.3Å; A442-R444 PolarHBondContact O-N 3.19Å; A442-L445 PolarHBondContact O-N 3.05Å; A442-H446 VanDerWaalsContact O-CB 3.29Å; A442-H446 WeakPolarHBondContact O-CB 3.42Å; A442-H446 PolarHBondContact O-N 3.05Å |
| 443 | A | 78 | Confident | 78.7 | Confident | 22 Ų | 22 | 36.7 Ų | 36.7 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.7 | -37.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S439 P440 H446 L447 I480 L484 | S439-A443 PolarHBondContact O-N 2.91Å; P440-A443 PolarHBondContact O-N 3.45Å; A443-H446 PolarHBondContact O-N 3.23Å; A443-L447 WeakPolarHBondContact O-CB 3.4Å; A443-L447 PolarHBondContact O-N 3.43Å; A443-I480 HydrophobicContact CB-CG2 4.4Å; A443-I480 WeakPolarHBondContact O-CG2 3.49Å; A443-L484 HydrophobicContact CB-CD2 3.91Å; A443-L484 HydrophobicContact CB-CG 4.31Å |
| 444 | R | 77.5 | Confident | 79.1 | Confident | 57 Ų | 57 | 36.6 Ų | 36.6 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.3 | -48.4 | 173.3 | -72.3 | 167.3 | 179.3 | -151.7 | -11.7 | 112.3 | P440 T441 A442 H446 L447 E448 L484 F491 D492 | P440-R444 VanDerWaalsContact O-CG 3.29Å; P440-R444 WeakPolarHBondContact O-CG 3.32Å; P440-R444 PolarHBondContact O-N 3.2Å; T441-R444 PolarHBondContact O-N 3.26Å; A442-R444 VanDerWaalsContact C-N 3.3Å; A442-R444 PolarHBondContact O-N 3.19Å; R444-H446 PolarHBondContact O-N 3.36Å; R444-L447 PolarHBondContact O-N 3.32Å; R444-E448 PolarHBondContact O-N 2.98Å; R444-L484 HydrophobicContact CG-CD1 4.37Å; R444-L484 HydrophobicContact CG-CD2 4.41Å; R444-F491 VanDerWaalsContact NH2-CD1 3.27Å; R444-D492 PolarHBondContact NH2-O 3.38Å |
| 445 | L | 81.4 | Confident | 79.2 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -39.2 | 176.6 | -169.7 | 73 | 0 | 0 | 0 | 110.8 | F415 K419 L422 L434 T441 A442 L449 L496 E500 I504 | F415-L445 HydrophobicContact CD2-CD2 4.16Å; F415-L445 HydrophobicContact CE2-CB 4.18Å; F415-L445 HydrophobicContact CE2-CD2 3.78Å; K419-L445 HydrophobicContact CG-CD2 4.18Å; L422-L445 HydrophobicContact CD1-CD1 4.15Å; L422-L445 HydrophobicContact CD1-CD2 3.96Å; L422-L445 HydrophobicContact CD1-CG 4.2Å; L434-L445 HydrophobicContact CD1-CB 4.34Å; L434-L445 HydrophobicContact CD1-CD2 4.04Å; L434-L445 HydrophobicContact CD1-CG 4.06Å; L434-L445 HydrophobicContact CD2-CD2 4.05Å; T441-L445 PolarHBondContact O-N 3.13Å; T441-L445 VanDerWaalsContact O-N 3.11Å; A442-L445 PolarHBondContact O-N 3.05Å; L445-L449 WeakPolarHBondContact O-CB 3.23Å; L445-L449 PolarHBondContact O-N 3.26Å; L445-L496 HydrophobicContact CD1-CD2 4.36Å; L445-E500 HydrophobicContact CD1-CB 3.96Å; L445-E500 HydrophobicContact CD1-CG 4.23Å; L445-I504 HydrophobicContact CD1-CD1 3.64Å; L445-I504 HydrophobicContact CD1-CG1 4.09Å; L445-I504 HydrophobicContact CG-CD1 4.39Å |
| 446 | H | 87.6 | Confident | 79.4 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 6% | 0.06 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -44.7 | 177.1 | -168.2 | -162.3 | 0 | 0 | 0 | 112 | E431 L434 A442 A443 R444 C450 I480 | E431-H446 IonicContact OE1-CD2 2.78Å; E431-H446 IonicContact OE1-CE1 3.63Å; E431-H446 IonicContact OE1-NE2 2.85Å; E431-H446 PolarHBondContact OE1-NE2 2.91Å; L434-H446 HydrophobicContact CB-CB 3.84Å; L434-H446 HydrophobicContact CD1-CB 4.16Å; A442-H446 VanDerWaalsContact O-CB 3.29Å; A442-H446 WeakPolarHBondContact O-CB 3.42Å; A442-H446 PolarHBondContact O-N 3.05Å; A443-H446 PolarHBondContact O-N 3.23Å; R444-H446 PolarHBondContact O-N 3.36Å; H446-C450 PolarHBondContact CD2-SG 2.9Å; H446-C450 WeakPolarHBondContact O-CB 3.49Å; H446-C450 PolarHBondContact O-N 3.45Å; H446-C450 PolarHBondContact O-SG 3.11Å; H446-I480 HydrophobicContact CB-CD1 4.35Å; H446-I480 WeakPolarHBondContact ND1-CD1 3.4Å |
| 447 | L | 85.2 | Confident | 79.8 | Confident | 20 Ų | 20 | 39 Ų | 39 | 11% | 0.105 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.5 | -51.1 | 176.5 | 179.8 | 62.4 | 0 | 0 | 0 | 111.2 | A443 R444 C450 K451 I477 I480 L484 | A443-L447 WeakPolarHBondContact O-CB 3.4Å; A443-L447 PolarHBondContact O-N 3.43Å; R444-L447 PolarHBondContact O-N 3.32Å; L447-C450 PolarHBondContact O-N 3.36Å; L447-K451 WeakPolarHBondContact O-CG 3.22Å; L447-K451 PolarHBondContact O-N 2.82Å; L447-I477 HydrophobicContact CD1-CB 4.33Å; L447-I477 HydrophobicContact CD1-CG2 3.87Å; L447-I480 HydrophobicContact CB-CG2 3.82Å; L447-I480 HydrophobicContact CD1-CB 4.27Å; L447-I480 HydrophobicContact CD1-CG2 4.3Å; L447-L484 HydrophobicContact CD2-CD1 3.99Å |
| 448 | E | 86.1 | Confident | 80 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 24% | 0.243 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.6 | -39.1 | -176.7 | -168.4 | 58.7 | -153.1 | 0 | 0 | 112 | R444 K451 Q452 L496 I504 | R444-E448 PolarHBondContact O-N 2.98Å; E448-K451 PolarHBondContact O-N 2.78Å; E448-K451 IonicContact OE2-NZ 3.58Å; E448-Q452 PolarHBondContact O-N 3.45Å; E448-L496 HydrophobicContact CB-CD1 3.84Å; E448-L496 HydrophobicContact CG-CD1 3.94Å; E448-I504 HydrophobicContact CB-CD1 3.72Å; E448-I504 HydrophobicContact CG-CD1 3.77Å |
| 449 | L | 86.2 | Confident | 80.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -43.5 | 173.1 | -179.1 | 60.3 | 0 | 0 | 0 | 111.7 | L422 P427 A430 E431 L434 L445 K451 Q452 L453 I504 T508 | L422-L449 HydrophobicContact CD2-CD1 3.64Å; L422-L449 HydrophobicContact CD2-CD2 4.01Å; L422-L449 HydrophobicContact CD2-CG 4.43Å; P427-L449 HydrophobicContact CB-CD1 3.79Å; A430-L449 HydrophobicContact CB-CD2 3.97Å; E431-L449 HydrophobicContact CB-CD2 3.81Å; E431-L449 HydrophobicContact CB-CG 4.43Å; L434-L449 HydrophobicContact CD1-CD2 3.92Å; L445-L449 WeakPolarHBondContact O-CB 3.23Å; L445-L449 PolarHBondContact O-N 3.26Å; L449-K451 VanDerWaalsContact C-N 3.35Å; L449-K451 PolarHBondContact O-N 3.31Å; L449-Q452 PolarHBondContact O-N 2.85Å; L449-L453 HydrophobicContact CD1-CD1 4.22Å; L449-L453 HydrophobicContact CD1-CG 4.31Å; L449-L453 HydrophobicContact CG-CD1 4.02Å; L449-L453 WeakPolarHBondContact O-CB 3.37Å; L449-L453 VanDerWaalsContact O-CG 3.31Å; L449-L453 WeakPolarHBondContact O-CG 3.21Å; L449-L453 PolarHBondContact O-N 3.14Å; L449-I504 HydrophobicContact CB-CD1 4.32Å; L449-I504 HydrophobicContact CD1-CG2 4.02Å; L449-T508 HydrophobicContact CD1-CG2 4.44Å |
| 450 | C | 87 | Confident | 80.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 176.6 | -72.1 | 0 | 0 | 0 | 0 | 112.1 | H446 L447 L453 A454 Y473 I477 | H446-C450 PolarHBondContact CD2-SG 2.9Å; H446-C450 WeakPolarHBondContact O-CB 3.49Å; H446-C450 PolarHBondContact O-N 3.45Å; H446-C450 PolarHBondContact O-SG 3.11Å; L447-C450 PolarHBondContact O-N 3.36Å; C450-L453 PolarHBondContact O-N 2.75Å; C450-A454 VanDerWaalsContact O-CB 3.3Å; C450-A454 WeakPolarHBondContact O-CB 3.45Å; C450-A454 PolarHBondContact O-N 3.49Å; C450-Y473 HydrophobicContact CB-CD1 4.39Å; C450-I477 HydrophobicContact CB-CD1 4.39Å; C450-I477 HydrophobicContact CB-CG1 3.74Å |
| 451 | K | 86 | Confident | 80.5 | Confident | 80 Ų | 80 | 47.1 Ų | 47.1 | 35% | 0.348 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.3 | -51.9 | 174.4 | -73.3 | 175.5 | -175.1 | 170.1 | 0 | 111.1 | L447 E448 L449 L453 A454 D455 I477 | L447-K451 WeakPolarHBondContact O-CG 3.22Å; L447-K451 PolarHBondContact O-N 2.82Å; E448-K451 PolarHBondContact O-N 2.78Å; E448-K451 IonicContact OE2-NZ 3.58Å; L449-K451 VanDerWaalsContact C-N 3.35Å; L449-K451 PolarHBondContact O-N 3.31Å; K451-L453 VanDerWaalsContact C-N 3.32Å; K451-L453 PolarHBondContact O-N 3.45Å; K451-A454 WeakPolarHBondContact O-CB 3.45Å; K451-A454 PolarHBondContact O-N 2.96Å; K451-A454 VanDerWaalsContact O-N 3.13Å; K451-D455 PolarHBondContact O-N 2.94Å; K451-I477 HydrophobicContact CG-CD1 4.12Å; K451-I477 HydrophobicContact CG-CG1 4.34Å |
| 452 | Q | 83.8 | Confident | 80.6 | Confident | 39 Ų | 39 | 48.8 Ų | 48.8 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.2 | -34.8 | -179.7 | -67.1 | -154.7 | 15 | 0 | 0 | 113 | E448 L449 D455 S456 I504 T508 | E448-Q452 PolarHBondContact O-N 3.45Å; L449-Q452 PolarHBondContact O-N 2.85Å; Q452-D455 PolarHBondContact O-N 3.3Å; Q452-S456 WeakPolarHBondContact O-CB 3.5Å; Q452-S456 PolarHBondContact O-N 2.77Å; Q452-I504 HydrophobicContact CB-CG2 4Å; Q452-I504 VanDerWaalsContact CD-CG2 3.42Å; Q452-I504 HydrophobicContact CG-CG2 3.85Å; Q452-T508 HydrophobicContact CB-CG2 3.85Å; Q452-T508 PolarHBondContact OE1-OG1 3.02Å |
| 453 | L | 84.4 | Confident | 80.6 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 172.1 | -76.8 | 172.6 | 0 | 0 | 0 | 111.5 | P427 E431 L449 C450 K451 D455 S456 Y473 | P427-L453 HydrophobicContact CB-CD2 3.99Å; P427-L453 HydrophobicContact CG-CD2 4.04Å; E431-L453 HydrophobicContact CB-CD1 4.12Å; E431-L453 HydrophobicContact CG-CD1 4.23Å; L449-L453 HydrophobicContact CD1-CD1 4.22Å; L449-L453 HydrophobicContact CD1-CG 4.31Å; L449-L453 HydrophobicContact CG-CD1 4.02Å; L449-L453 WeakPolarHBondContact O-CB 3.37Å; L449-L453 VanDerWaalsContact O-CG 3.31Å; L449-L453 WeakPolarHBondContact O-CG 3.21Å; L449-L453 PolarHBondContact O-N 3.14Å; C450-L453 PolarHBondContact O-N 2.75Å; K451-L453 VanDerWaalsContact C-N 3.32Å; K451-L453 PolarHBondContact O-N 3.45Å; L453-D455 VanDerWaalsContact C-N 3.35Å; L453-S456 PolarHBondContact O-N 3.44Å; L453-S456 PolarHBondContact O-OG 2.71Å; L453-Y473 HydrophobicContact CB-CD1 4.48Å; L453-Y473 HydrophobicContact CB-CE1 4.09Å; L453-Y473 HydrophobicContact CB-CE2 4.29Å; L453-Y473 HydrophobicContact CD1-CE1 3.97Å |
| 454 | A | 84 | Confident | 80.5 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 8% | 0.083 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C450 K451 S456 I457 I477 | C450-A454 VanDerWaalsContact O-CB 3.3Å; C450-A454 WeakPolarHBondContact O-CB 3.45Å; C450-A454 PolarHBondContact O-N 3.49Å; K451-A454 WeakPolarHBondContact O-CB 3.45Å; K451-A454 PolarHBondContact O-N 2.96Å; K451-A454 VanDerWaalsContact O-N 3.13Å; A454-S456 VanDerWaalsContact C-N 3.33Å; A454-I457 WeakPolarHBondContact O-CB 3.34Å; A454-I457 PolarHBondContact O-N 3.39Å; A454-I477 HydrophobicContact CB-CD1 4.05Å |
| 455 | D | 81.5 | Confident | 80.2 | Confident | 136 Ų | 136 | 59.3 Ų | 59.3 | 73% | 0.727 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -73.9 | -25.4 | 177.5 | -69 | -20.9 | 0 | 0 | 0 | 112.6 | K451 Q452 L453 I457 | K451-D455 PolarHBondContact O-N 2.94Å; Q452-D455 PolarHBondContact O-N 3.3Å; L453-D455 VanDerWaalsContact C-N 3.35Å; D455-I457 PolarHBondContact O-N 2.73Å |
| 456 | S | 78.6 | Confident | 79.9 | Confident | 72 Ų | 72 | 60.2 Ų | 60.2 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -12.9 | 175.8 | 76.8 | 0 | 0 | 0 | 0 | 113.9 | Q452 L453 A454 D458 | Q452-S456 WeakPolarHBondContact O-CB 3.5Å; Q452-S456 PolarHBondContact O-N 2.77Å; L453-S456 PolarHBondContact O-N 3.44Å; L453-S456 PolarHBondContact O-OG 2.71Å; A454-S456 VanDerWaalsContact C-N 3.33Å; S456-D458 PolarHBondContact O-N 2.99Å |
| 457 | I | 78.5 | Confident | 79.3 | Confident | 21 Ų | 21 | 64.4 Ų | 64.4 | 11% | 0.108 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -73.5 | 123 | 176.4 | -73.6 | 169.2 | 0 | 0 | 0 | 109.4 | A454 D455 S459 N466 R469 K470 Y473 | A454-I457 WeakPolarHBondContact O-CB 3.34Å; A454-I457 PolarHBondContact O-N 3.39Å; D455-I457 PolarHBondContact O-N 2.73Å; I457-S459 PolarHBondContact O-N 2.9Å; I457-N466 WeakPolarHBondContact CG2-OD1 3.44Å; I457-R469 HydrophobicContact CD1-CB 3.87Å; I457-K470 HydrophobicContact CD1-CB 4.33Å; I457-Y473 HydrophobicContact CD1-CD2 3.8Å; I457-Y473 HydrophobicContact CD1-CE2 4.13Å |
| 458 | D | 76.3 | Confident | 78.8 | Confident | 91 Ų | 91 | 66 Ų | 66 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | trans | -60.7 | 110 | 179.1 | -171.7 | -5.3 | 0 | 0 | 0 | 110.4 | S456 N460 D461 N466 | S456-D458 PolarHBondContact O-N 2.99Å; D458-N460 PolarHBondContact O-N 3.22Å; D458-N460 WeakPolarHBondContact OD1-CB 3.05Å; D458-N460 PolarHBondContact OD1-N 3.39Å; D458-N460 PolarHBondContact OD1-ND2 2.93Å; D458-N460 VanDerWaalsContact OD1-ND2 3.14Å; D458-D461 HydrophobicContact CB-CB 4.35Å; D458-D461 PolarHBondContact O-N 2.96Å; D458-N466 PolarHBondContact O-ND2 3.13Å | ||
| 459 | S | 71.6 | Confident | 78.3 | Confident | 92 Ų | 92 | 69.7 Ų | 69.7 | 64% | 0.643 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -13.6 | 179.2 | 41.3 | 0 | 0 | 0 | 0 | 113.4 | I457 | I457-S459 PolarHBondContact O-N 2.9Š|
| 460 | N | 74.9 | Confident | 78 | Confident | 137 Ų | 137 | 73.4 Ų | 73.4 | 73% | 0.733 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -6.3 | 178.8 | -52.8 | -64.3 | 0 | 0 | 0 | 113.5 | D458 P462 | D458-N460 PolarHBondContact O-N 3.22Å; D458-N460 WeakPolarHBondContact OD1-CB 3.05Å; D458-N460 PolarHBondContact OD1-N 3.39Å; D458-N460 PolarHBondContact OD1-ND2 2.93Å; D458-N460 VanDerWaalsContact OD1-ND2 3.14Å; N460-P462 WeakPolarHBondContact O-CD 3.5Å |
| 461 | D | 74.3 | Confident | 77.8 | Confident | 71 Ų | 71 | 78 Ų | 78 | 38% | 0.38 | 41% | 0.414 | S | S | . | . | trans | -88.9 | 105.1 | 173.8 | 178.1 | -6.3 | 0 | 0 | 0 | 109.2 | D458 S463 N466 | D458-D461 HydrophobicContact CB-CB 4.35Å; D458-D461 PolarHBondContact O-N 2.96Å; D461-S463 PolarHBondContact O-N 2.86Å; D461-S463 WeakPolarHBondContact OD1-CB 3.5Å; D461-S463 PolarHBondContact OD1-N 2.84Å; D461-S463 PolarHBondContact OD1-OG 3.5Å; D461-S463 PolarHBondContact OD2-OG 2.67Å; D461-N466 WeakPolarHBondContact CB-ND2 3.27Å; D461-N466 PolarHBondContact O-ND2 3.3Å | ||
| 462 | P | 73.5 | Confident | 77.7 | Confident | 104 Ų | 104 | 78.5 Ų | 78.5 | 68% | 0.675 | 42% | 0.421 | S | S | * | . | trans | -82 | 10.2 | -176.4 | 37.3 | -37.2 | 0 | 0 | 0 | 112.9 | N460 | N460-P462 WeakPolarHBondContact O-CD 3.5Š| ||
| 463 | S | 76.6 | Confident | 77.8 | Confident | 44 Ų | 44 | 78.4 Ų | 78.4 | 31% | 0.308 | 42% | 0.419 | S | S | . | . | trans | -60.3 | 142.7 | 179.5 | 62.7 | 0 | 0 | 0 | 0 | 111.6 | D461 E465 N466 Q467 | D461-S463 PolarHBondContact O-N 2.86Å; D461-S463 WeakPolarHBondContact OD1-CB 3.5Å; D461-S463 PolarHBondContact OD1-N 2.84Å; D461-S463 PolarHBondContact OD1-OG 3.5Å; D461-S463 PolarHBondContact OD2-OG 2.67Å; S463-E465 PolarHBondContact O-N 3.5Å; S463-N466 WeakPolarHBondContact O-CB 3.24Å; S463-N466 PolarHBondContact O-N 2.69Å; S463-N466 VanDerWaalsContact OG-CB 3.29Å; S463-N466 WeakPolarHBondContact OG-CB 3.38Å; S463-Q467 PolarHBondContact O-N 3.35Å | ||
| 464 | L | 74.9 | Confident | 77.9 | Confident | 134 Ų | 134 | 82.8 Ų | 82.8 | 70% | 0.702 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -58 | -35.5 | 179.5 | -162.3 | 118.6 | 0 | 0 | 0 | 111.4 | N466 Q467 C468 | L464-N466 VanDerWaalsContact C-N 3.33Å; L464-N466 PolarHBondContact O-N 2.89Å; L464-Q467 PolarHBondContact O-N 3.11Å; L464-C468 WeakPolarHBondContact O-CB 3.39Å; L464-C468 PolarHBondContact O-N 3.08Å; L464-C468 PolarHBondContact O-SG 3.23Å |
| 465 | E | 71.6 | Confident | 78 | Confident | 121 Ų | 121 | 88.2 Ų | 88.2 | 57% | 0.565 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.6 | -42.9 | 175 | -174.3 | 177.7 | 177.3 | 0 | 0 | 111.8 | S463 C468 R469 | S463-E465 PolarHBondContact O-N 3.5Å; E465-C468 PolarHBondContact O-N 2.98Å; E465-R469 VanDerWaalsContact O-CG 3.3Å; E465-R469 WeakPolarHBondContact O-CG 3.42Å; E465-R469 PolarHBondContact O-N 3.3Å; E465-R469 IonicContact OE1-CZ 2.56Å; E465-R469 IonicContact OE1-NE 2.58Å; E465-R469 PolarHBondContact OE1-NE 2.93Å; E465-R469 IonicContact OE1-NH2 2.75Å; E465-R469 PolarHBondContact OE1-NH2 2.65Å |
| 466 | N | 74.7 | Confident | 78.2 | Confident | 20 Ų | 20 | 83.5 Ų | 83.5 | 11% | 0.107 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -71.5 | -38.6 | -178.3 | -158.3 | 40.3 | 0 | 0 | 0 | 112.1 | I457 D458 D461 S463 L464 R469 K470 | I457-N466 WeakPolarHBondContact CG2-OD1 3.44Å; D458-N466 PolarHBondContact O-ND2 3.13Å; D461-N466 WeakPolarHBondContact CB-ND2 3.27Å; D461-N466 PolarHBondContact O-ND2 3.3Å; S463-N466 WeakPolarHBondContact O-CB 3.24Å; S463-N466 PolarHBondContact O-N 2.69Å; S463-N466 VanDerWaalsContact OG-CB 3.29Å; S463-N466 WeakPolarHBondContact OG-CB 3.38Å; L464-N466 VanDerWaalsContact C-N 3.33Å; L464-N466 PolarHBondContact O-N 2.89Å; N466-R469 PolarHBondContact O-N 2.86Å; N466-K470 WeakPolarHBondContact O-CB 3.4Å; N466-K470 PolarHBondContact O-N 2.78Å |
| 467 | Q | 75.7 | Confident | 78.6 | Confident | 101 Ų | 101 | 81.6 Ų | 81.6 | 47% | 0.472 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 170.1 | -69.3 | -179.7 | -5 | 0 | 0 | 111.4 | S463 L464 R469 K470 E471 | S463-Q467 PolarHBondContact O-N 3.35Å; L464-Q467 PolarHBondContact O-N 3.11Å; Q467-R469 VanDerWaalsContact C-N 3.32Å; Q467-R469 PolarHBondContact O-N 3.44Å; Q467-K470 PolarHBondContact O-N 2.95Å; Q467-E471 WeakPolarHBondContact O-CG 3.31Å; Q467-E471 PolarHBondContact O-N 3.23Å |
| 468 | C | 75.2 | Confident | 78.9 | Confident | 54 Ų | 54 | 84.1 Ų | 84.1 | 37% | 0.365 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 177.4 | -73.2 | 0 | 0 | 0 | 0 | 112.6 | L464 E465 N472 | L464-C468 WeakPolarHBondContact O-CB 3.39Å; L464-C468 PolarHBondContact O-N 3.08Å; L464-C468 PolarHBondContact O-SG 3.23Å; E465-C468 PolarHBondContact O-N 2.98Å; C468-N472 WeakPolarHBondContact O-CB 3.44Å; C468-N472 PolarHBondContact O-N 2.95Å; C468-N472 PolarHBondContact O-ND2 2.9Å |
| 469 | R | 74.6 | Confident | 79.3 | Confident | 129 Ų | 129 | 84 Ų | 84 | 49% | 0.487 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 175.7 | -74.7 | 173.8 | -177.3 | -159.8 | 2.6 | 111.4 | I457 E465 N466 Q467 N472 Y473 | I457-R469 HydrophobicContact CD1-CB 3.87Å; E465-R469 VanDerWaalsContact O-CG 3.3Å; E465-R469 WeakPolarHBondContact O-CG 3.42Å; E465-R469 PolarHBondContact O-N 3.3Å; E465-R469 IonicContact OE1-CZ 2.56Å; E465-R469 IonicContact OE1-NE 2.58Å; E465-R469 PolarHBondContact OE1-NE 2.93Å; E465-R469 IonicContact OE1-NH2 2.75Å; E465-R469 PolarHBondContact OE1-NH2 2.65Å; N466-R469 PolarHBondContact O-N 2.86Å; Q467-R469 VanDerWaalsContact C-N 3.32Å; Q467-R469 PolarHBondContact O-N 3.44Å; R469-N472 PolarHBondContact O-N 2.92Å; R469-Y473 VanDerWaalsContact O-CD2 3.25Å; R469-Y473 WeakPolarHBondContact O-CD2 3.38Å; R469-Y473 PolarHBondContact O-N 3.38Å |
| 470 | K | 80.1 | Confident | 79.8 | Confident | 78 Ų | 78 | 80.3 Ų | 80.3 | 34% | 0.339 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 179.3 | -167 | 172.8 | -175.4 | 172 | 0 | 111.8 | I457 N466 Q467 N472 Y473 Q474 | I457-K470 HydrophobicContact CD1-CB 4.33Å; N466-K470 WeakPolarHBondContact O-CB 3.4Å; N466-K470 PolarHBondContact O-N 2.78Å; Q467-K470 PolarHBondContact O-N 2.95Å; K470-N472 VanDerWaalsContact C-N 3.33Å; K470-N472 PolarHBondContact O-N 3.46Å; K470-Y473 PolarHBondContact O-N 2.96Å; K470-Q474 WeakPolarHBondContact O-CB 3.43Å; K470-Q474 WeakPolarHBondContact O-CG 3.48Å; K470-Q474 PolarHBondContact O-N 3.26Å |
| 471 | E | 81.9 | Confident | 80.2 | Confident | 96 Ų | 96 | 76.1 Ų | 76.1 | 45% | 0.449 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 175.4 | -73.8 | -179.5 | -177.5 | 0 | 0 | 112.3 | Q467 Q474 K475 | Q467-E471 WeakPolarHBondContact O-CG 3.31Å; Q467-E471 PolarHBondContact O-N 3.23Å; E471-Q474 PolarHBondContact O-N 3.27Å; E471-K475 WeakPolarHBondContact O-CG 3.43Å; E471-K475 PolarHBondContact O-N 3.01Å |
| 472 | N | 84.7 | Confident | 80.3 | Confident | 92 Ų | 92 | 78.7 Ų | 78.7 | 49% | 0.492 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 178.2 | -76.8 | -21.6 | 0 | 0 | 0 | 112 | C468 R469 K470 K475 L476 | C468-N472 WeakPolarHBondContact O-CB 3.44Å; C468-N472 PolarHBondContact O-N 2.95Å; C468-N472 PolarHBondContact O-ND2 2.9Å; R469-N472 PolarHBondContact O-N 2.92Å; K470-N472 VanDerWaalsContact C-N 3.33Å; K470-N472 PolarHBondContact O-N 3.46Å; N472-K475 PolarHBondContact O-N 2.89Å; N472-L476 WeakPolarHBondContact O-CG 3.43Å; N472-L476 PolarHBondContact O-N 2.64Å |
| 473 | Y | 86.6 | Confident | 80.5 | Confident | 37 Ų | 37 | 81.4 Ų | 81.4 | 15% | 0.145 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67.5 | -38 | 175.4 | -74.5 | -62.3 | 0 | 0 | 0 | 112.3 | E431 C450 L453 I457 R469 K470 K475 L476 I477 | E431-Y473 HydrophobicContact CG-CE1 4.46Å; C450-Y473 HydrophobicContact CB-CD1 4.39Å; L453-Y473 HydrophobicContact CB-CD1 4.48Å; L453-Y473 HydrophobicContact CB-CE1 4.09Å; L453-Y473 HydrophobicContact CB-CE2 4.29Å; L453-Y473 HydrophobicContact CD1-CE1 3.97Å; I457-Y473 HydrophobicContact CD1-CD2 3.8Å; I457-Y473 HydrophobicContact CD1-CE2 4.13Å; R469-Y473 VanDerWaalsContact O-CD2 3.25Å; R469-Y473 WeakPolarHBondContact O-CD2 3.38Å; R469-Y473 PolarHBondContact O-N 3.38Å; K470-Y473 PolarHBondContact O-N 2.96Å; Y473-K475 PolarHBondContact O-N 2.83Å; Y473-L476 HydrophobicContact CD1-CD1 4.17Å; Y473-L476 PolarHBondContact O-N 3.17Å; Y473-I477 WeakPolarHBondContact O-CB 3.4Å; Y473-I477 WeakPolarHBondContact O-CD1 3.36Å; Y473-I477 WeakPolarHBondContact O-CG1 3.49Å; Y473-I477 PolarHBondContact O-N 3.36Å |
| 474 | Q | 86.5 | Confident | 80.3 | Confident | 99 Ų | 99 | 81.8 Ų | 81.8 | 46% | 0.463 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 174.3 | -77.3 | 171.8 | -21.5 | 0 | 0 | 111.9 | K470 E471 L476 I477 S478 | K470-Q474 WeakPolarHBondContact O-CB 3.43Å; K470-Q474 WeakPolarHBondContact O-CG 3.48Å; K470-Q474 PolarHBondContact O-N 3.26Å; E471-Q474 PolarHBondContact O-N 3.27Å; Q474-L476 VanDerWaalsContact C-N 3.34Å; Q474-L476 PolarHBondContact O-N 2.87Å; Q474-I477 PolarHBondContact O-N 3.22Å; Q474-S478 PolarHBondContact O-N 3.03Å; Q474-S478 PolarHBondContact O-OG 2.92Å |
| 475 | K | 85.3 | Confident | 80 | Confident | 124 Ų | 124 | 79.9 Ų | 79.9 | 54% | 0.539 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 173.5 | -74.5 | 173.2 | -176.1 | 169.1 | 0 | 111.8 | E471 N472 Y473 S478 N479 | E471-K475 WeakPolarHBondContact O-CG 3.43Å; E471-K475 PolarHBondContact O-N 3.01Å; N472-K475 PolarHBondContact O-N 2.89Å; Y473-K475 PolarHBondContact O-N 2.83Å; K475-S478 PolarHBondContact O-N 2.96Å; K475-N479 WeakPolarHBondContact O-CB 3.33Å; K475-N479 PolarHBondContact O-N 3.31Å; K475-N479 PolarHBondContact O-ND2 3.22Å; K475-N479 PolarHBondContact O-OD1 3.48Å |
| 476 | L | 85.3 | Confident | 79.7 | Confident | 37 Ų | 37 | 78.7 Ų | 78.7 | 19% | 0.194 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 176.6 | -75.2 | 166 | 0 | 0 | 0 | 111.6 | N472 Y473 Q474 S478 N479 I480 | N472-L476 WeakPolarHBondContact O-CG 3.43Å; N472-L476 PolarHBondContact O-N 2.64Å; Y473-L476 HydrophobicContact CD1-CD1 4.17Å; Y473-L476 PolarHBondContact O-N 3.17Å; Q474-L476 VanDerWaalsContact C-N 3.34Å; Q474-L476 PolarHBondContact O-N 2.87Å; L476-S478 PolarHBondContact O-N 2.97Å; L476-N479 PolarHBondContact O-N 3.5Å; L476-I480 WeakPolarHBondContact O-CD1 3.19Å; L476-I480 WeakPolarHBondContact O-CG1 2.92Å; L476-I480 PolarHBondContact O-N 3.3Å |
| 477 | I | 87.7 | Confident | 78.9 | Confident | 31 Ų | 31 | 79.9 Ų | 79.9 | 16% | 0.159 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -56.6 | -50.5 | 177.4 | -70.5 | 162.8 | 0 | 0 | 0 | 110.2 | L447 C450 K451 A454 Y473 Q474 N479 I480 S481 | L447-I477 HydrophobicContact CD1-CB 4.33Å; L447-I477 HydrophobicContact CD1-CG2 3.87Å; C450-I477 HydrophobicContact CB-CD1 4.39Å; C450-I477 HydrophobicContact CB-CG1 3.74Å; K451-I477 HydrophobicContact CG-CD1 4.12Å; K451-I477 HydrophobicContact CG-CG1 4.34Å; A454-I477 HydrophobicContact CB-CD1 4.05Å; Y473-I477 WeakPolarHBondContact O-CB 3.4Å; Y473-I477 WeakPolarHBondContact O-CD1 3.36Å; Y473-I477 WeakPolarHBondContact O-CG1 3.49Å; Y473-I477 PolarHBondContact O-N 3.36Å; Q474-I477 PolarHBondContact O-N 3.22Å; I477-N479 PolarHBondContact O-N 3.4Å; I477-I480 PolarHBondContact O-N 3.49Å; I477-S481 WeakPolarHBondContact O-CB 3.15Å; I477-S481 PolarHBondContact O-N 3.45Å; I477-S481 PolarHBondContact O-OG 3.49Å |
| 478 | S | 85.2 | Confident | 77.3 | Confident | 74 Ų | 74 | 81.1 Ų | 81.1 | 52% | 0.517 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59 | -47 | 178.2 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | Q474 K475 L476 I480 S481 E482 | Q474-S478 PolarHBondContact O-N 3.03Å; Q474-S478 PolarHBondContact O-OG 2.92Å; K475-S478 PolarHBondContact O-N 2.96Å; L476-S478 PolarHBondContact O-N 2.97Å; S478-I480 PolarHBondContact O-N 3.25Å; S478-S481 PolarHBondContact O-N 3.46Å; S478-E482 WeakPolarHBondContact O-CB 3.36Å; S478-E482 PolarHBondContact O-N 2.91Å |
| 479 | N | 83.9 | Confident | 75.8 | Confident | 90 Ų | 90 | 85 Ų | 85 | 48% | 0.481 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | -180 | -70.2 | -12.6 | 0 | 0 | 0 | 112.5 | K475 L476 I477 K483 | K475-N479 WeakPolarHBondContact O-CB 3.33Å; K475-N479 PolarHBondContact O-N 3.31Å; K475-N479 PolarHBondContact O-ND2 3.22Å; K475-N479 PolarHBondContact O-OD1 3.48Å; L476-N479 PolarHBondContact O-N 3.5Å; I477-N479 PolarHBondContact O-N 3.4Å; N479-K483 WeakPolarHBondContact O-CG 3.35Å; N479-K483 PolarHBondContact O-N 3.36Å; N479-K483 VanDerWaalsContact O-N 3.13Å |
| 480 | I | 83.3 | Confident | 74.2 | Confident | 14 Ų | 14 | 83.3 Ų | 83.3 | 7% | 0.072 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -71.6 | -42.9 | 179.2 | -61.9 | 159.5 | 0 | 0 | 0 | 110 | A443 H446 L447 L476 I477 S478 E482 K483 L484 | A443-I480 HydrophobicContact CB-CG2 4.4Å; A443-I480 WeakPolarHBondContact O-CG2 3.49Å; H446-I480 HydrophobicContact CB-CD1 4.35Å; H446-I480 WeakPolarHBondContact ND1-CD1 3.4Å; L447-I480 HydrophobicContact CB-CG2 3.82Å; L447-I480 HydrophobicContact CD1-CB 4.27Å; L447-I480 HydrophobicContact CD1-CG2 4.3Å; L476-I480 WeakPolarHBondContact O-CD1 3.19Å; L476-I480 WeakPolarHBondContact O-CG1 2.92Å; L476-I480 PolarHBondContact O-N 3.3Å; I477-I480 PolarHBondContact O-N 3.49Å; S478-I480 PolarHBondContact O-N 3.25Å; I480-E482 VanDerWaalsContact C-N 3.34Å; I480-E482 PolarHBondContact O-N 3.36Å; I480-K483 PolarHBondContact O-N 2.77Å; I480-L484 HydrophobicContact CG2-CD1 3.97Å; I480-L484 HydrophobicContact CG2-CG 4.45Å; I480-L484 WeakPolarHBondContact O-CG 3.14Å; I480-L484 PolarHBondContact O-N 2.97Å |
| 481 | S | 81.7 | Confident | 72.5 | Confident | 48 Ų | 48 | 85.4 Ų | 85.4 | 34% | 0.336 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 175.7 | -75.9 | 0 | 0 | 0 | 0 | 112.6 | I477 S478 L484 S485 | I477-S481 WeakPolarHBondContact O-CB 3.15Å; I477-S481 PolarHBondContact O-N 3.45Å; I477-S481 PolarHBondContact O-OG 3.49Å; S478-S481 PolarHBondContact O-N 3.46Å; S481-L484 PolarHBondContact O-N 3.42Å; S481-S485 PolarHBondContact O-N 3.42Å; S481-S485 PolarHBondContact O-OG 3.35Å |
| 482 | E | 78.3 | Confident | 70.8 | Confident | 125 Ų | 125 | 85.4 Ų | 85.4 | 58% | 0.584 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67 | -39.7 | 176.4 | -171.5 | 179.5 | -174.5 | 0 | 0 | 112.5 | S478 I480 L484 S485 T486 | S478-E482 WeakPolarHBondContact O-CB 3.36Å; S478-E482 PolarHBondContact O-N 2.91Å; I480-E482 VanDerWaalsContact C-N 3.34Å; I480-E482 PolarHBondContact O-N 3.36Å; E482-L484 VanDerWaalsContact C-N 3.31Å; E482-L484 PolarHBondContact O-N 3.48Å; E482-S485 WeakPolarHBondContact CA-OG 3.4Å; E482-S485 PolarHBondContact O-N 2.77Å; E482-S485 PolarHBondContact O-OG 3.28Å; E482-T486 WeakPolarHBondContact O-CG2 3.22Å; E482-T486 PolarHBondContact O-N 3.36Å; E482-T486 VanDerWaalsContact O-N 3.15Å; E482-T486 PolarHBondContact O-OG1 3.09Å |
| 483 | K | 75.8 | Confident | 68.7 | Low | 161 Ų | 161 | 90 Ų | 90 | 70% | 0.7 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -37.8 | 173.1 | -78.2 | -178.4 | 178.3 | -174.3 | 0 | 112.4 | N479 I480 T486 | N479-K483 WeakPolarHBondContact O-CG 3.35Å; N479-K483 PolarHBondContact O-N 3.36Å; N479-K483 VanDerWaalsContact O-N 3.13Å; I480-K483 PolarHBondContact O-N 2.77Å; K483-T486 PolarHBondContact O-OG1 2.59Å |
| 484 | L | 73.1 | Confident | 66.8 | Low | 53 Ų | 53 | 92.5 Ų | 92.5 | 28% | 0.277 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.6 | -34 | 178.8 | -75.1 | 170.9 | 0 | 0 | 0 | 112.2 | A443 R444 L447 I480 S481 E482 | A443-L484 HydrophobicContact CB-CD2 3.91Å; A443-L484 HydrophobicContact CB-CG 4.31Å; R444-L484 HydrophobicContact CG-CD1 4.37Å; R444-L484 HydrophobicContact CG-CD2 4.41Å; L447-L484 HydrophobicContact CD2-CD1 3.99Å; I480-L484 HydrophobicContact CG2-CD1 3.97Å; I480-L484 HydrophobicContact CG2-CG 4.45Å; I480-L484 WeakPolarHBondContact O-CG 3.14Å; I480-L484 PolarHBondContact O-N 2.97Å; S481-L484 PolarHBondContact O-N 3.42Å; E482-L484 VanDerWaalsContact C-N 3.31Å; E482-L484 PolarHBondContact O-N 3.48Å |
| 485 | S | 69.5 | Low | 65 | Low | 93 Ų | 93 | 93.1 Ų | 93.1 | 65% | 0.65 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -76.7 | -23.8 | 179.3 | 64.9 | 0 | 0 | 0 | 0 | 113.9 | S481 E482 | S481-S485 PolarHBondContact O-N 3.42Å; S481-S485 PolarHBondContact O-OG 3.35Å; E482-S485 WeakPolarHBondContact CA-OG 3.4Å; E482-S485 PolarHBondContact O-N 2.77Å; E482-S485 PolarHBondContact O-OG 3.28Å |
| 486 | T | 64.8 | Low | 63.4 | Low | 97 Ų | 97 | 89.3 Ų | 89.3 | 60% | 0.595 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -83.1 | -11.9 | 176 | 48.1 | 0 | 0 | 0 | 0 | 113.6 | E482 K483 T488 | E482-T486 WeakPolarHBondContact O-CG2 3.22Å; E482-T486 PolarHBondContact O-N 3.36Å; E482-T486 VanDerWaalsContact O-N 3.15Å; E482-T486 PolarHBondContact O-OG1 3.09Å; K483-T486 PolarHBondContact O-OG1 2.59Å; T486-T488 PolarHBondContact O-N 2.76Å |
| 487 | G | 58.8 | Low | 62.1 | Low | 45 Ų | 45 | 89.6 Ų | 89.6 | 46% | 0.464 | 52% | 0.522 | S | S | . | . | trans | -71.4 | 90.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | D489 | G487-D489 PolarHBondContact O-N 3.07Š| ||
| 488 | T | 41.4 | Very low | 60.8 | Low | 127 Ų | 127 | 95.5 Ų | 95.5 | 78% | 0.779 | 55% | 0.554 | S | S | * | * | trans | -66.2 | 96.1 | 173.4 | 48.6 | 0 | 0 | 0 | 0 | 110.5 | T486 | T486-T488 PolarHBondContact O-N 2.76Š| ||
| 489 | D | 43.3 | Very low | 59.8 | Low | 134 Ų | 134 | 98.6 Ų | 98.6 | 72% | 0.717 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -175.4 | 82.3 | 151.6 | -90.6 | -20.8 | 0 | 0 | 0 | 111.1 | G487 F491 | G487-D489 PolarHBondContact O-N 3.07Å; D489-F491 VanDerWaalsContact C-N 3.25Å; D489-F491 HydrophobicContact CB-CD2 4.38Å; D489-F491 HydrophobicContact CB-CE2 4.2Å; D489-F491 WeakPolarHBondContact O-CD2 3.3Å; D489-F491 WeakPolarHBondContact O-CE2 3.49Å; D489-F491 WeakPolarHBondContact O-CG 3.37Å; D489-F491 PolarHBondContact O-N 3Å |
| 490 | G | 41.9 | Very low | 58.9 | Low | 95 Ų | 95 | 95.1 Ų | 95.1 | 98% | 0.979 | 54% | 0.542 | S | S | * | . | trans | 49.7 | 31 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 491 | F | 43.9 | Very low | 58.1 | Low | 122 Ų | 122 | 96.3 Ų | 96.3 | 54% | 0.535 | 55% | 0.553 | S | S | . | * | trans | -84.6 | 119.4 | -168.7 | -90.4 | -78.6 | 0 | 0 | 0 | 112.8 | P440 R444 D489 E493 | P440-F491 HydrophobicContact CB-CZ 4.47Å; P440-F491 HydrophobicContact CG-CZ 4.42Å; R444-F491 VanDerWaalsContact NH2-CD1 3.27Å; D489-F491 VanDerWaalsContact C-N 3.25Å; D489-F491 HydrophobicContact CB-CD2 4.38Å; D489-F491 HydrophobicContact CB-CE2 4.2Å; D489-F491 WeakPolarHBondContact O-CD2 3.3Å; D489-F491 WeakPolarHBondContact O-CE2 3.49Å; D489-F491 WeakPolarHBondContact O-CG 3.37Å; D489-F491 PolarHBondContact O-N 3Å; F491-E493 PolarHBondContact O-N 3.15Å | ||
| 492 | D | 46.3 | Very low | 57.5 | Low | 95 Ų | 95 | 97.2 Ų | 97.2 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | trans | -69.9 | 120.5 | 169.8 | -164 | -21.8 | 0 | 0 | 0 | 109.9 | R444 S494 | R444-D492 PolarHBondContact NH2-O 3.38Å; D492-S494 VanDerWaalsContact CG-OG 3.27Å; D492-S494 PolarHBondContact O-N 3.16Å; D492-S494 WeakPolarHBondContact OD1-CB 3.04Å; D492-S494 PolarHBondContact OD1-N 2.95Å; D492-S494 PolarHBondContact OD1-OG 3.1Å; D492-S494 PolarHBondContact OD2-OG 3.25Å | ||
| 493 | E | 41.1 | Very low | 57 | Low | 190 Ų | 190 | 92.4 Ų | 92.4 | 89% | 0.888 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -14.4 | 177.7 | -70.7 | -173.8 | 152.7 | 0 | 0 | 112.6 | F491 | F491-E493 PolarHBondContact O-N 3.15Š|
| 494 | S | 46.4 | Very low | 56.7 | Low | 89 Ų | 89 | 84.8 Ų | 84.8 | 62% | 0.622 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -1.2 | -163.8 | 68.7 | 0 | 0 | 0 | 0 | 116.8 | D492 | D492-S494 VanDerWaalsContact CG-OG 3.27Å; D492-S494 PolarHBondContact O-N 3.16Å; D492-S494 WeakPolarHBondContact OD1-CB 3.04Å; D492-S494 PolarHBondContact OD1-N 2.95Å; D492-S494 PolarHBondContact OD1-OG 3.1Å; D492-S494 PolarHBondContact OD2-OG 3.25Å |
| 495 | I | 48.1 | Very low | 56.7 | Low | 111 Ų | 111 | 86.2 Ų | 86.2 | 57% | 0.569 | 51% | 0.51 | S | S | * | . | trans | -124.1 | 76.4 | -171.5 | -43.1 | 178.4 | 0 | 0 | 0 | 111.4 | ||||
| 496 | L | 52.5 | Low | 56.7 | Low | 44 Ų | 44 | 84.3 Ų | 84.3 | 23% | 0.23 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -71.1 | 139.3 | 138.1 | -91.7 | 157.1 | 0 | 0 | 0 | 106.2 | L445 E448 N498 E500 | L445-L496 HydrophobicContact CD1-CD2 4.36Å; E448-L496 HydrophobicContact CB-CD1 3.84Å; E448-L496 HydrophobicContact CG-CD1 3.94Å; L496-N498 PolarHBondContact O-N 3.26Å; L496-E500 HydrophobicContact CD2-CB 3.81Å |
| 497 | S | 57.8 | Low | 56.8 | Low | 44 Ų | 44 | 79.8 Ų | 79.8 | 31% | 0.308 | 47% | 0.469 | S | S | . | . | trans | -60.4 | 140.3 | 172.5 | 65.7 | 0 | 0 | 0 | 0 | 108.5 | Q499 E500 A501 | S497-Q499 PolarHBondContact O-N 3.41Å; S497-E500 PolarHBondContact N-OE2 3Å; S497-E500 VanDerWaalsContact N-OE2 3.1Å; S497-E500 PolarHBondContact O-N 3.09Å; S497-E500 VanDerWaalsContact OG-CG 3.29Å; S497-E500 WeakPolarHBondContact OG-CG 3.3Å; S497-E500 PolarHBondContact OG-N 3.29Å; S497-E500 PolarHBondContact OG-OE2 3.32Å; S497-A501 PolarHBondContact O-N 2.85Å | ||
| 498 | N | 60.5 | Low | 57.1 | Low | 155 Ų | 155 | 78.8 Ų | 78.8 | 83% | 0.829 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -50.8 | -26.2 | 176.3 | -72.6 | -25.4 | 0 | 0 | 0 | 112.5 | L496 S502 | L496-N498 PolarHBondContact O-N 3.26Å; N498-S502 VanDerWaalsContact O-CB 3.31Å; N498-S502 WeakPolarHBondContact O-CB 3.38Å; N498-S502 PolarHBondContact O-N 3.31Å |
| 499 | Q | 62.8 | Low | 58.1 | Low | 139 Ų | 139 | 79.3 Ų | 79.3 | 65% | 0.65 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67 | -44.5 | 174.6 | -69.2 | -178.4 | -16.5 | 0 | 0 | 113.1 | S497 S502 L503 | S497-Q499 PolarHBondContact O-N 3.41Å; Q499-S502 PolarHBondContact O-N 3.34Å; Q499-L503 WeakPolarHBondContact O-CB 3.45Å; Q499-L503 WeakPolarHBondContact O-CD1 3.31Å; Q499-L503 WeakPolarHBondContact O-CG 3.13Å; Q499-L503 PolarHBondContact O-N 3.19Å |
| 500 | E | 66.4 | Low | 58.6 | Low | 17 Ų | 17 | 76.9 Ų | 76.9 | 8% | 0.079 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -70.2 | -39.7 | -178.2 | -73.7 | 158.6 | 154.9 | 0 | 0 | 112.1 | K419 L445 L496 S497 L503 I504 | K419-E500 WeakPolarHBondContact CE-OE1 3.3Å; K419-E500 IonicContact NZ-OE1 3Å; K419-E500 PolarHBondContact NZ-OE1 3.01Å; L445-E500 HydrophobicContact CD1-CB 3.96Å; L445-E500 HydrophobicContact CD1-CG 4.23Å; L496-E500 HydrophobicContact CD2-CB 3.81Å; S497-E500 PolarHBondContact N-OE2 3Å; S497-E500 VanDerWaalsContact N-OE2 3.1Å; S497-E500 PolarHBondContact O-N 3.09Å; S497-E500 VanDerWaalsContact OG-CG 3.29Å; S497-E500 WeakPolarHBondContact OG-CG 3.3Å; S497-E500 PolarHBondContact OG-N 3.29Å; S497-E500 PolarHBondContact OG-OE2 3.32Å; E500-L503 WeakPolarHBondContact O-CB 3.39Å; E500-L503 PolarHBondContact O-N 3.11Å; E500-I504 WeakPolarHBondContact O-CG1 3.24Å; E500-I504 PolarHBondContact O-N 3.36Å |
| 501 | A | 66.6 | Low | 58.5 | Low | 38 Ų | 38 | 80.9 Ų | 80.9 | 31% | 0.314 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S497 L503 I504 E505 | S497-A501 PolarHBondContact O-N 2.85Å; A501-L503 VanDerWaalsContact C-N 3.29Å; A501-L503 PolarHBondContact O-N 3.49Å; A501-I504 PolarHBondContact O-N 3.02Å; A501-E505 WeakPolarHBondContact O-CB 3.42Å; A501-E505 PolarHBondContact O-N 3.29Å |
| 502 | S | 69.3 | Low | 58 | Low | 68 Ų | 68 | 80 Ų | 80 | 48% | 0.476 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.3 | -34.7 | 176.4 | -180 | 0 | 0 | 0 | 0 | 112.6 | N498 Q499 S506 | N498-S502 VanDerWaalsContact O-CB 3.31Å; N498-S502 WeakPolarHBondContact O-CB 3.38Å; N498-S502 PolarHBondContact O-N 3.31Å; Q499-S502 PolarHBondContact O-N 3.34Å; S502-S506 VanDerWaalsContact O-CB 3.29Å; S502-S506 WeakPolarHBondContact O-CB 3.34Å; S502-S506 PolarHBondContact O-N 2.92Å |
| 503 | L | 66.7 | Low | 57.1 | Low | 24 Ų | 24 | 81.6 Ų | 81.6 | 13% | 0.126 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.3 | -50.3 | 176.1 | -89.4 | 160.9 | 0 | 0 | 0 | 112.3 | H423 Q499 E500 A501 S506 A507 | H423-L503 HydrophobicContact CB-CD2 4.31Å; H423-L503 WeakPolarHBondContact CE1-CD2 3.4Å; H423-L503 VanDerWaalsContact CG-CD2 3.48Å; H423-L503 VanDerWaalsContact ND1-CD2 3.26Å; H423-L503 WeakPolarHBondContact ND1-CD2 3.49Å; Q499-L503 WeakPolarHBondContact O-CB 3.45Å; Q499-L503 WeakPolarHBondContact O-CD1 3.31Å; Q499-L503 WeakPolarHBondContact O-CG 3.13Å; Q499-L503 PolarHBondContact O-N 3.19Å; E500-L503 WeakPolarHBondContact O-CB 3.39Å; E500-L503 PolarHBondContact O-N 3.11Å; A501-L503 VanDerWaalsContact C-N 3.29Å; A501-L503 PolarHBondContact O-N 3.49Å; L503-S506 PolarHBondContact O-N 3.44Å; L503-A507 VanDerWaalsContact O-CB 3.31Å; L503-A507 WeakPolarHBondContact O-CB 3.42Å; L503-A507 PolarHBondContact O-N 3.33Å |
| 504 | I | 69.9 | Low | 56.4 | Low | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.8 | -49.2 | 177.5 | -64 | 171.6 | 0 | 0 | 0 | 109.4 | L422 L445 E448 L449 Q452 E500 A501 S506 A507 T508 | L422-I504 HydrophobicContact CD1-CG1 4.02Å; L445-I504 HydrophobicContact CD1-CD1 3.64Å; L445-I504 HydrophobicContact CD1-CG1 4.09Å; L445-I504 HydrophobicContact CG-CD1 4.39Å; E448-I504 HydrophobicContact CB-CD1 3.72Å; E448-I504 HydrophobicContact CG-CD1 3.77Å; L449-I504 HydrophobicContact CB-CD1 4.32Å; L449-I504 HydrophobicContact CD1-CG2 4.02Å; Q452-I504 HydrophobicContact CB-CG2 4Å; Q452-I504 VanDerWaalsContact CD-CG2 3.42Å; Q452-I504 HydrophobicContact CG-CG2 3.85Å; E500-I504 WeakPolarHBondContact O-CG1 3.24Å; E500-I504 PolarHBondContact O-N 3.36Å; A501-I504 PolarHBondContact O-N 3.02Å; I504-S506 VanDerWaalsContact C-N 3.3Å; I504-S506 PolarHBondContact O-N 2.88Å; I504-A507 PolarHBondContact O-N 3.13Å; I504-T508 HydrophobicContact CG2-CG2 4.17Å; I504-T508 WeakPolarHBondContact O-CG2 3.28Å; I504-T508 PolarHBondContact O-N 3.32Å; I504-T508 PolarHBondContact O-OG1 3.44Å |
| 505 | E | 72.4 | Confident | 55.4 | Low | 83 Ų | 83 | 80.2 Ų | 80.2 | 39% | 0.388 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59 | -40.6 | -179.6 | -172.1 | -174.5 | -177.8 | 0 | 0 | 112.3 | A501 T508 K509 | A501-E505 WeakPolarHBondContact O-CB 3.42Å; A501-E505 PolarHBondContact O-N 3.29Å; E505-T508 PolarHBondContact O-OG1 2.91Å; E505-K509 HydrophobicContact CG-CD 3.88Å; E505-K509 HydrophobicContact CG-CG 4.48Å; E505-K509 WeakPolarHBondContact O-CB 3.38Å; E505-K509 WeakPolarHBondContact O-CG 3.41Å; E505-K509 PolarHBondContact O-N 2.78Å; E505-K509 WeakPolarHBondContact OE1-CE 3.2Å; E505-K509 IonicContact OE1-NZ 3.42Å; E505-K509 PolarHBondContact OE1-NZ 3.32Å |
| 506 | S | 70.4 | Confident | 54.3 | Low | 54 Ų | 54 | 82 Ų | 82 | 38% | 0.378 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.9 | -45.5 | 176.3 | -166.5 | 0 | 0 | 0 | 0 | 111.7 | S502 L503 I504 T508 K509 Q510 | S502-S506 VanDerWaalsContact O-CB 3.29Å; S502-S506 WeakPolarHBondContact O-CB 3.34Å; S502-S506 PolarHBondContact O-N 2.92Å; L503-S506 PolarHBondContact O-N 3.44Å; I504-S506 VanDerWaalsContact C-N 3.3Å; I504-S506 PolarHBondContact O-N 2.88Å; S506-T508 PolarHBondContact O-N 3.13Å; S506-K509 PolarHBondContact O-N 3.41Å; S506-Q510 WeakPolarHBondContact O-CG 3.33Å; S506-Q510 PolarHBondContact O-N 3.18Å |
| 507 | A | 66.1 | Low | 53.2 | Low | 1 Ų | 1 | 90.2 Ų | 90.2 | 1% | 0.008 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -64.4 | -39.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L422 L503 I504 | L422-A507 HydrophobicContact CD2-CB 4.15Å; L422-A507 VanDerWaalsContact O-CB 3.28Å; L422-A507 WeakPolarHBondContact O-CB 3.4Å; L503-A507 VanDerWaalsContact O-CB 3.31Å; L503-A507 WeakPolarHBondContact O-CB 3.42Å; L503-A507 PolarHBondContact O-N 3.33Å; I504-A507 PolarHBondContact O-N 3.13Å |
| 508 | T | 65.6 | Low | 51.6 | Low | 24 Ų | 24 | 93.1 Ų | 93.1 | 15% | 0.147 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -79.4 | -31.7 | 179.7 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | P427 L449 Q452 I504 E505 S506 | P427-T508 HydrophobicContact CB-CG2 4.41Å; L449-T508 HydrophobicContact CD1-CG2 4.44Å; Q452-T508 HydrophobicContact CB-CG2 3.85Å; Q452-T508 PolarHBondContact OE1-OG1 3.02Å; I504-T508 HydrophobicContact CG2-CG2 4.17Å; I504-T508 WeakPolarHBondContact O-CG2 3.28Å; I504-T508 PolarHBondContact O-N 3.32Å; I504-T508 PolarHBondContact O-OG1 3.44Å; E505-T508 PolarHBondContact O-OG1 2.91Å; S506-T508 PolarHBondContact O-N 3.13Å |
| 509 | K | 63.4 | Low | 50.2 | Low | 138 Ų | 138 | 91.4 Ų | 91.4 | 60% | 0.6 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -78.2 | -22.5 | 176 | -74.7 | -178.4 | 179.2 | -179.3 | 0 | 114.4 | E505 S506 K511 | E505-K509 HydrophobicContact CG-CD 3.88Å; E505-K509 HydrophobicContact CG-CG 4.48Å; E505-K509 WeakPolarHBondContact O-CB 3.38Å; E505-K509 WeakPolarHBondContact O-CG 3.41Å; E505-K509 PolarHBondContact O-N 2.78Å; E505-K509 WeakPolarHBondContact OE1-CE 3.2Å; E505-K509 IonicContact OE1-NZ 3.42Å; E505-K509 PolarHBondContact OE1-NZ 3.32Å; S506-K509 PolarHBondContact O-N 3.41Å; K509-K511 PolarHBondContact O-N 2.94Å |
| 510 | Q | 52.4 | Low | 48.4 | Very low | 83 Ų | 83 | 95.7 Ų | 95.7 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -64.9 | 80.8 | 169 | -81 | -176.5 | 12.3 | 0 | 0 | 108.4 | Y392 S506 F512 | Y392-Q510 PolarHBondContact OH-NE2 2.9Å; S506-Q510 WeakPolarHBondContact O-CG 3.33Å; S506-Q510 PolarHBondContact O-N 3.18Å; Q510-F512 PolarHBondContact O-N 3.01Å |
| 511 | K | 40.1 | Very low | 46.5 | Very low | 180 Ų | 180 | 103.3 Ų | 103.3 | 78% | 0.783 | 52% | 0.517 | S | S | * | . | trans | -43.1 | 124.9 | -176.3 | -81.4 | 178.2 | 172.4 | 178.9 | 0 | 110.1 | K509 T513 | K509-K511 PolarHBondContact O-N 2.94Å; K511-T513 PolarHBondContact O-N 3.48Å | ||
| 512 | F | 34.3 | Very low | 44.7 | Very low | 103 Ų | 103 | 107.4 Ų | 107.4 | 45% | 0.452 | 54% | 0.54 | S | S | . | . | trans | -52.2 | 76.2 | 153.7 | -69.5 | -84.4 | 0 | 0 | 0 | 110.4 | P427 I428 Q510 F514 | P427-F512 HydrophobicContact CG-CE2 4.23Å; P427-F512 HydrophobicContact CG-CZ 4.1Å; I428-F512 HydrophobicContact CD1-CZ 4.14Å; I428-F512 HydrophobicContact CG1-CZ 4.48Å; Q510-F512 PolarHBondContact O-N 3.01Å; F512-F514 HydrophobicContact CB-CD2 3.83Å; F512-F514 HydrophobicContact CB-CE2 4.19Å; F512-F514 AromaticContact CD1-CD2 3.68Å; F512-F514 HydrophobicContact CD1-CD2 3.68Å; F512-F514 AromaticContact CD1-CE2 3.18Å; F512-F514 HydrophobicContact CD1-CE2 3.18Å; F512-F514 AromaticContact CD1-CZ 3.93Å; F512-F514 HydrophobicContact CD1-CZ 3.93Å; F512-F514 AromaticContact CE1-CE2 3.74Å; F512-F514 HydrophobicContact CE1-CE2 3.74Å; F512-F514 HydrophobicContact CE1-CZ 4.19Å; F512-F514 HydrophobicContact CG-CD2 4.14Å; F512-F514 AromaticContact CG-CE2 3.98Å; F512-F514 HydrophobicContact CG-CE2 3.98Å; F512-F514 PolarHBondContact O-N 2.91Å | ||
| 513 | T | 26.2 | Very low | 42.7 | Very low | 129 Ų | 129 | 109.7 Ų | 109.7 | 79% | 0.791 | 55% | 0.551 | S | S | * | * | trans | -71.2 | 72.4 | 143.4 | 37.4 | 0 | 0 | 0 | 0 | 105.8 | K511 A515 | K511-T513 PolarHBondContact O-N 3.48Å; T513-A515 PolarHBondContact O-N 3.42Å | ||
| 514 | F | 27.7 | Very low | 41 | Very low | 157 Ų | 157 | 115.9 Ų | 115.9 | 69% | 0.689 | 58% | 0.584 | S | S | * | * | trans | -52.6 | 106.1 | 144.6 | -84.3 | -74.3 | 0 | 0 | 0 | 103.6 | F512 K516 | F512-F514 HydrophobicContact CB-CD2 3.83Å; F512-F514 HydrophobicContact CB-CE2 4.19Å; F512-F514 AromaticContact CD1-CD2 3.68Å; F512-F514 HydrophobicContact CD1-CD2 3.68Å; F512-F514 AromaticContact CD1-CE2 3.18Å; F512-F514 HydrophobicContact CD1-CE2 3.18Å; F512-F514 AromaticContact CD1-CZ 3.93Å; F512-F514 HydrophobicContact CD1-CZ 3.93Å; F512-F514 AromaticContact CE1-CE2 3.74Å; F512-F514 HydrophobicContact CE1-CE2 3.74Å; F512-F514 HydrophobicContact CE1-CZ 4.19Å; F512-F514 HydrophobicContact CG-CD2 4.14Å; F512-F514 AromaticContact CG-CE2 3.98Å; F512-F514 HydrophobicContact CG-CE2 3.98Å; F512-F514 PolarHBondContact O-N 2.91Å; F514-K516 PolarHBondContact O-N 2.9Å | ||
| 515 | A | 25.4 | Very low | 38.9 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 76% | 0.76 | 62% | 0.622 | S | S | * | * | trans | -57.1 | 86.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 104.5 | T513 K517 | T513-A515 PolarHBondContact O-N 3.42Å; A515-K517 VanDerWaalsContact C-N 3.33Å; A515-K517 PolarHBondContact O-N 2.8Å | ||
| 516 | K | 25 | Very low | 36.8 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 65% | 0.648 | 65% | 0.646 | S | S | * | * | trans | -46.8 | 112.3 | 161.3 | -91 | 178.5 | 154.9 | -150.5 | 0 | 102.9 | F514 E518 | F514-K516 PolarHBondContact O-N 2.9Å; K516-E518 HydrophobicContact CB-CB 4.34Å; K516-E518 HydrophobicContact CB-CG 4.17Å; K516-E518 WeakPolarHBondContact CD-OE1 3.31Å; K516-E518 WeakPolarHBondContact CE-OE1 3.23Å; K516-E518 IonicContact NZ-OE1 2.68Å; K516-E518 PolarHBondContact NZ-OE1 3.36Å; K516-E518 PolarHBondContact O-N 2.96Å | ||
| 517 | K | 27.9 | Very low | 34.7 | Very low | 217 Ų | 217 | 131.3 Ų | 131.3 | 94% | 0.943 | 66% | 0.658 | S | S | * | * | trans | -63.5 | 53.5 | 161.6 | -90.9 | -179.4 | 169.5 | 176.9 | 0 | 107.9 | A515 | A515-K517 VanDerWaalsContact C-N 3.33Å; A515-K517 PolarHBondContact O-N 2.8Å | ||
| 518 | E | 25.1 | Very low | 32.8 | Very low | 105 Ų | 105 | 139 Ų | 139 | 49% | 0.491 | 70% | 0.699 | S | S | . | * | trans | -87.2 | 107.5 | 161.9 | -81.4 | 174 | -168.1 | 0 | 0 | 103.8 | K516 R520 | K516-E518 HydrophobicContact CB-CB 4.34Å; K516-E518 HydrophobicContact CB-CG 4.17Å; K516-E518 WeakPolarHBondContact CD-OE1 3.31Å; K516-E518 WeakPolarHBondContact CE-OE1 3.23Å; K516-E518 IonicContact NZ-OE1 2.68Å; K516-E518 PolarHBondContact NZ-OE1 3.36Å; K516-E518 PolarHBondContact O-N 2.96Å; E518-R520 PolarHBondContact O-N 3.21Å | ||
| 519 | S | 29.9 | Very low | 30.9 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | trans | -43.3 | 85.7 | 165.2 | 47.5 | 0 | 0 | 0 | 0 | 110.3 | K521 | S519-K521 PolarHBondContact O-N 3.23Å; S519-K521 VanDerWaalsContact O-N 3.07Å | ||
| 520 | R | 26.2 | Very low | 29.6 | Very low | 229 Ų | 229 | 144.8 Ų | 144.8 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | -75.4 | 103.5 | 179.9 | -83.2 | -174.5 | 177.3 | -175.7 | -1.2 | 108.6 | E518 | E518-R520 PolarHBondContact O-N 3.21Š| ||
| 521 | K | 25.2 | Very low | 28.5 | Very low | 177 Ų | 177 | 148 Ų | 148 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -47.4 | 141.2 | 154.6 | -79.4 | 177.3 | 172.9 | 177.9 | 0 | 109.1 | S519 T523 | S519-K521 PolarHBondContact O-N 3.23Å; S519-K521 VanDerWaalsContact O-N 3.07Å; K521-T523 PolarHBondContact O-N 3.3Å; K521-T523 VanDerWaalsContact O-N 3.07Å | ||
| 522 | P | 30.3 | Very low | 27.9 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | -70.7 | 107.6 | -176.6 | 29.3 | -30.8 | 0 | 0 | 0 | 108.1 | ||||
| 523 | T | 25.7 | Very low | 27.6 | Very low | 116 Ų | 116 | 150.6 Ų | 150.6 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | trans | -101.5 | 110.3 | 167.6 | 42.3 | 0 | 0 | 0 | 0 | 108.1 | K521 F525 | K521-T523 PolarHBondContact O-N 3.3Å; K521-T523 VanDerWaalsContact O-N 3.07Å; T523-F525 PolarHBondContact O-N 3.4Å; T523-F525 VanDerWaalsContact O-N 3.14Å | ||
| 524 | D | 32.9 | Very low | 27.6 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -45.8 | 109.5 | 166.9 | -65.3 | -50.1 | 0 | 0 | 0 | 110.4 | ||||
| 525 | F | 24.4 | Very low | 27.6 | Very low | 179 Ų | 179 | 151.2 Ų | 151.2 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -117.4 | 89 | 161.8 | -103.7 | -89.3 | 0 | 0 | 0 | 107.8 | T523 S527 | T523-F525 PolarHBondContact O-N 3.4Å; T523-F525 VanDerWaalsContact O-N 3.14Å; F525-S527 PolarHBondContact O-N 3.08Å | ||
| 526 | Q | 28.7 | Very low | 27.7 | Very low | 190 Ų | 190 | 155 Ų | 155 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -60.7 | 111.4 | 149.8 | -69.4 | 177.5 | -11.8 | 0 | 0 | 107.5 | ||||
| 527 | S | 25.9 | Very low | 27.9 | Very low | 91 Ų | 91 | 156.1 Ų | 156.1 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | -154.3 | 97.7 | 159.3 | 66.9 | 0 | 0 | 0 | 0 | 110.5 | F525 | F525-S527 PolarHBondContact O-N 3.08Š| ||
| 528 | N | 26.7 | Very low | 28 | Very low | 162 Ų | 162 | 154.2 Ų | 154.2 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | 33.6 | 121.3 | 141.7 | -57.6 | -14.3 | 0 | 0 | 0 | 119.6 | ||||
| 529 | E | 26.2 | Very low | 28.6 | Very low | 185 Ų | 185 | 155.6 Ų | 155.6 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -34.6 | 164.7 | 153.2 | -62.6 | 177.7 | 134.3 | 0 | 0 | 115.1 | ||
| 530 | P | 35.8 | Very low | 28.7 | Very low | 100 Ų | 100 | 159 Ų | 159 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | cis | -133.9 | 104.7 | -44.5 | 33.7 | -15.4 | 0 | 0 | 0 | 109.8 | F532 | P530-F532 VanDerWaalsContact C-N 3.26Å; P530-F532 PolarHBondContact O-N 3.18Å | ||
| 531 | T | 29.2 | Very low | 28.9 | Very low | 149 Ų | 149 | 155.9 Ų | 155.9 | 91% | 0.914 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 12 | 177 | -8.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 532 | F | 27.3 | Very low | 29.4 | Very low | 204 Ų | 204 | 151 Ų | 151 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | 23.9 | -179.2 | -132.8 | -91 | 0 | 0 | 0 | 114.8 | P530 | P530-F532 VanDerWaalsContact C-N 3.26Å; P530-F532 PolarHBondContact O-N 3.18Å |
| 533 | V | 28.5 | Very low | 29.6 | Very low | 135 Ų | 135 | 152.6 Ų | 152.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -134.3 | 80.7 | 168.4 | -165.4 | 0 | 0 | 0 | 0 | 108.6 | ||
| 534 | G | 24.7 | Very low | 30.1 | Very low | 65 Ų | 65 | 151.3 Ų | 151.3 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | trans | -172.4 | 59.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 535 | R | 28.2 | Very low | 30 | Very low | 234 Ų | 234 | 152.5 Ų | 152.5 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 172.9 | 128.5 | 141.4 | -92.4 | 156.2 | -162.6 | -149.7 | 6.9 | 107.5 | ||
| 536 | H | 27.5 | Very low | 30.6 | Very low | 170 Ų | 170 | 150 Ų | 150 | 79% | 0.787 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 79.3 | 86.8 | -168.4 | -48.2 | -69.1 | 0 | 0 | 0 | 112.8 | ||
| 537 | H | 28.7 | Very low | 31.2 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | 174.7 | 92 | 122 | -82.6 | -54.2 | 0 | 0 | 0 | 107.6 | |||||
| 538 | Q | 30.8 | Very low | 31.7 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -60.2 | 139.7 | 151 | -77.7 | -179.9 | -18.5 | 0 | 0 | 107.6 | K540 | Q538-K540 VanDerWaalsContact C-N 3.32Å; Q538-K540 PolarHBondContact O-N 3.09Å | ||
| 539 | P | 36.8 | Very low | 32.4 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | trans | -76.1 | 85.2 | -172.4 | 31.9 | -33.3 | 0 | 0 | 0 | 109.3 | ||||
| 540 | K | 32.2 | Very low | 33.3 | Very low | 190 Ų | 190 | 140.6 Ų | 140.6 | 83% | 0.826 | 72% | 0.715 | S | S | * | * | trans | -108.3 | 113 | 154.7 | -77 | -171.9 | 175.8 | -177.5 | 0 | 106.8 | Q538 C542 | Q538-K540 VanDerWaalsContact C-N 3.32Å; Q538-K540 PolarHBondContact O-N 3.09Å; K540-C542 PolarHBondContact O-N 3.24Å; K540-C542 VanDerWaalsContact O-N 3.1Å | ||
| 541 | N | 31.6 | Very low | 33.6 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 88% | 0.882 | 71% | 0.711 | S | S | * | * | trans | -8.1 | 97.7 | 169.8 | -66.8 | -17 | 0 | 0 | 0 | 113.8 | E543 | N541-E543 PolarHBondContact O-N 3.2Š| ||
| 542 | C | 35.6 | Very low | 34 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 49% | 0.493 | 68% | 0.675 | S | S | . | * | trans | -80.2 | 98.5 | -178.7 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | K540 C544 R545 | K540-C542 PolarHBondContact O-N 3.24Å; K540-C542 VanDerWaalsContact O-N 3.1Å; C542-C544 PolarHBondContact O-N 2.9Å; C542-C544 WeakPolarHBondContact SG-CB 3.47Å; C542-C544 VanDerWaalsContact SG-SG 3.61Å; C542-R545 PolarHBondContact O-N 3.37Å; C542-R545 VanDerWaalsContact O-N 3.08Å | ||
| 543 | E | 35.1 | Very low | 34.8 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 74% | 0.738 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -51.2 | -17.6 | 172.1 | -66.7 | 176.9 | 161 | 0 | 0 | 113.3 | N541 R545 S547 | N541-E543 PolarHBondContact O-N 3.2Å; E543-R545 VanDerWaalsContact C-N 3.29Å; E543-R545 PolarHBondContact O-N 3.08Å; E543-S547 WeakPolarHBondContact O-CB 3.48Å; E543-S547 PolarHBondContact O-N 2.93Å; E543-S547 VanDerWaalsContact O-N 3.07Å; E543-S547 PolarHBondContact O-OG 3.46Å |
| 544 | C | 34.4 | Very low | 35.6 | Very low | 89 Ų | 89 | 126.2 Ų | 126.2 | 60% | 0.601 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.8 | -30.6 | 176.4 | -52.7 | 0 | 0 | 0 | 0 | 112.7 | C542 F548 | C542-C544 PolarHBondContact O-N 2.9Å; C542-C544 WeakPolarHBondContact SG-CB 3.47Å; C542-C544 VanDerWaalsContact SG-SG 3.61Å; C544-F548 WeakPolarHBondContact O-CB 3.47Å; C544-F548 PolarHBondContact O-N 2.93Å |
| 545 | R | 30.6 | Very low | 36.3 | Very low | 180 Ų | 180 | 129.9 Ų | 129.9 | 68% | 0.679 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.3 | -47.7 | 179.5 | -174.1 | 174.7 | 175.1 | 166.1 | 1.7 | 111.8 | C542 E543 S547 F548 E549 | C542-R545 PolarHBondContact O-N 3.37Å; C542-R545 VanDerWaalsContact O-N 3.08Å; E543-R545 VanDerWaalsContact C-N 3.29Å; E543-R545 PolarHBondContact O-N 3.08Å; R545-S547 VanDerWaalsContact C-N 3.29Å; R545-S547 PolarHBondContact O-N 3.1Å; R545-F548 PolarHBondContact O-N 3.36Å; R545-E549 HydrophobicContact CG-CG 4.45Å; R545-E549 IonicContact CZ-OE1 2.66Å; R545-E549 IonicContact NE-OE1 2.69Å; R545-E549 PolarHBondContact NE-OE1 3.35Å; R545-E549 IonicContact NH2-OE1 3.72Å; R545-E549 PolarHBondContact NH2-OE1 2.96Å; R545-E549 WeakPolarHBondContact O-CB 3.39Å; R545-E549 WeakPolarHBondContact O-CG 3.39Å; R545-E549 PolarHBondContact O-N 2.88Å |
| 546 | E | 37.1 | Very low | 36.9 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 58% | 0.584 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.4 | -39.5 | 174.3 | -84.8 | -167.5 | 165.8 | 0 | 0 | 111.8 | F548 E549 K550 | E546-F548 VanDerWaalsContact C-N 3.3Å; E546-F548 PolarHBondContact O-N 3.36Å; E546-E549 PolarHBondContact O-N 3.45Å; E546-K550 WeakPolarHBondContact O-CB 3.38Å; E546-K550 WeakPolarHBondContact O-CG 3.4Å; E546-K550 PolarHBondContact O-N 3.01Å |
| 547 | S | 41.9 | Very low | 37.6 | Very low | 75 Ų | 75 | 120.1 Ų | 120.1 | 52% | 0.524 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.4 | -38.8 | 177.9 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | E543 R545 L551 | E543-S547 WeakPolarHBondContact O-CB 3.48Å; E543-S547 PolarHBondContact O-N 2.93Å; E543-S547 VanDerWaalsContact O-N 3.07Å; E543-S547 PolarHBondContact O-OG 3.46Å; R545-S547 VanDerWaalsContact C-N 3.29Å; R545-S547 PolarHBondContact O-N 3.1Å; S547-L551 WeakPolarHBondContact O-CB 3.4Å; S547-L551 PolarHBondContact O-N 3.39Å |
| 548 | F | 37.6 | Very low | 38.1 | Very low | 119 Ų | 119 | 116 Ų | 116 | 52% | 0.522 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -75.8 | -39.6 | 178.6 | -156.8 | -88.8 | 0 | 0 | 0 | 112.6 | C544 R545 E546 L551 F552 | C544-F548 WeakPolarHBondContact O-CB 3.47Å; C544-F548 PolarHBondContact O-N 2.93Å; R545-F548 PolarHBondContact O-N 3.36Å; E546-F548 VanDerWaalsContact C-N 3.3Å; E546-F548 PolarHBondContact O-N 3.36Å; F548-L551 PolarHBondContact O-N 3.01Å; F548-F552 WeakPolarHBondContact O-CB 3.38Å; F548-F552 PolarHBondContact O-N 2.8Å |
| 549 | E | 41.2 | Very low | 38.3 | Very low | 95 Ų | 95 | 110.4 Ų | 110.4 | 44% | 0.444 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.1 | -40.8 | 174.2 | -73.6 | 174.7 | -177.7 | 0 | 0 | 111 | R545 E546 L551 F552 D553 | R545-E549 HydrophobicContact CG-CG 4.45Å; R545-E549 IonicContact CZ-OE1 2.66Å; R545-E549 IonicContact NE-OE1 2.69Å; R545-E549 PolarHBondContact NE-OE1 3.35Å; R545-E549 IonicContact NH2-OE1 3.72Å; R545-E549 PolarHBondContact NH2-OE1 2.96Å; R545-E549 WeakPolarHBondContact O-CB 3.39Å; R545-E549 WeakPolarHBondContact O-CG 3.39Å; R545-E549 PolarHBondContact O-N 2.88Å; E546-E549 PolarHBondContact O-N 3.45Å; E549-L551 PolarHBondContact O-N 3.13Å; E549-F552 WeakPolarHBondContact O-CB 3.41Å; E549-F552 PolarHBondContact O-N 3.21Å; E549-D553 PolarHBondContact O-N 3.43Å |
| 550 | K | 44.5 | Very low | 38.4 | Very low | 142 Ų | 142 | 110 Ų | 110 | 62% | 0.617 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.3 | -39.9 | 171.7 | -76.5 | 176 | -177.4 | 167.2 | 0 | 112.8 | E546 F552 A554 | E546-K550 WeakPolarHBondContact O-CB 3.38Å; E546-K550 WeakPolarHBondContact O-CG 3.4Å; E546-K550 PolarHBondContact O-N 3.01Å; K550-F552 VanDerWaalsContact C-N 3.34Å; K550-A554 WeakPolarHBondContact O-CB 3.36Å; K550-A554 PolarHBondContact O-N 2.9Å |
| 551 | L | 41.6 | Very low | 38.7 | Very low | 106 Ų | 106 | 108 Ų | 108 | 56% | 0.555 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.7 | -39.9 | 176.3 | -155.4 | 92.7 | 0 | 0 | 0 | 111 | S547 F548 E549 A554 Y555 | S547-L551 WeakPolarHBondContact O-CB 3.4Å; S547-L551 PolarHBondContact O-N 3.39Å; F548-L551 PolarHBondContact O-N 3.01Å; E549-L551 PolarHBondContact O-N 3.13Å; L551-A554 PolarHBondContact O-N 3.41Å; L551-Y555 PolarHBondContact O-N 2.94Å |
| 552 | F | 37.8 | Very low | 38.8 | Very low | 34 Ų | 34 | 106.5 Ų | 106.5 | 15% | 0.149 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 176.8 | -174.2 | -91.2 | 0 | 0 | 0 | 111.5 | F548 E549 K550 A554 Y555 Q556 M588 Q592 L595 | F548-F552 WeakPolarHBondContact O-CB 3.38Å; F548-F552 PolarHBondContact O-N 2.8Å; E549-F552 WeakPolarHBondContact O-CB 3.41Å; E549-F552 PolarHBondContact O-N 3.21Å; K550-F552 VanDerWaalsContact C-N 3.34Å; F552-A554 VanDerWaalsContact C-N 3.35Å; F552-A554 PolarHBondContact O-N 3.02Å; F552-Y555 PolarHBondContact O-N 3.1Å; F552-Q556 WeakPolarHBondContact O-CB 3.48Å; F552-Q556 PolarHBondContact O-N 3.37Å; F552-M588 HydrophobicContact CD2-CE 3.99Å; F552-M588 HydrophobicContact CE1-CE 4.35Å; F552-M588 HydrophobicContact CE2-CE 3.36Å; F552-M588 HydrophobicContact CE2-SD 4.42Å; F552-M588 HydrophobicContact CZ-CE 3.58Å; F552-Q592 HydrophobicContact CZ-CG 4.45Å; F552-L595 HydrophobicContact CD2-CD1 4.19Å; F552-L595 HydrophobicContact CE2-CD1 4.11Å |
| 553 | D | 45.1 | Very low | 38.6 | Very low | 98 Ų | 98 | 104.5 Ų | 104.5 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 175.9 | -84.5 | -7.7 | 0 | 0 | 0 | 112.1 | E549 Q556 Q557 | E549-D553 PolarHBondContact O-N 3.43Å; D553-Q556 PolarHBondContact O-N 3.35Å; D553-Q557 WeakPolarHBondContact O-CB 3.49Å; D553-Q557 VanDerWaalsContact O-CG 3.24Å; D553-Q557 WeakPolarHBondContact O-CG 3.41Å; D553-Q557 PolarHBondContact O-N 3.35Å |
| 554 | A | 45 | Very low | 38.6 | Very low | 49 Ų | 49 | 100.3 Ų | 100.3 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K550 L551 F552 Q557 I558 | K550-A554 WeakPolarHBondContact O-CB 3.36Å; K550-A554 PolarHBondContact O-N 2.9Å; L551-A554 PolarHBondContact O-N 3.41Å; F552-A554 VanDerWaalsContact C-N 3.35Å; F552-A554 PolarHBondContact O-N 3.02Å; A554-Q557 PolarHBondContact O-N 2.9Å; A554-I558 VanDerWaalsContact O-CG1 3.25Å; A554-I558 WeakPolarHBondContact O-CG1 3.2Å; A554-I558 PolarHBondContact O-N 2.89Å |
| 555 | Y | 39.5 | Very low | 38.5 | Very low | 142 Ų | 142 | 99.9 Ų | 99.9 | 56% | 0.557 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.9 | -40.3 | 176.2 | -116.4 | -87.3 | 0 | 0 | 0 | 112.2 | L551 F552 Q557 I558 L559 | L551-Y555 PolarHBondContact O-N 2.94Å; F552-Y555 PolarHBondContact O-N 3.1Å; Y555-Q557 VanDerWaalsContact C-N 3.35Å; Y555-Q557 PolarHBondContact O-N 3.35Å; Y555-I558 PolarHBondContact O-N 3.44Å; Y555-L559 WeakPolarHBondContact O-CG 3.21Å; Y555-L559 PolarHBondContact O-N 3.33Å |
| 556 | Q | 39.6 | Very low | 38.3 | Very low | 78 Ų | 78 | 94.6 Ų | 94.6 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 177.9 | -148.4 | 179 | 6.6 | 0 | 0 | 111.5 | F552 D553 L559 L560 | F552-Q556 WeakPolarHBondContact O-CB 3.48Å; F552-Q556 PolarHBondContact O-N 3.37Å; D553-Q556 PolarHBondContact O-N 3.35Å; Q556-L559 PolarHBondContact O-N 2.97Å; Q556-L560 WeakPolarHBondContact O-CB 3.17Å; Q556-L560 WeakPolarHBondContact O-CG 3.46Å; Q556-L560 PolarHBondContact O-N 2.64Å |
| 557 | Q | 42.2 | Very low | 38 | Very low | 121 Ų | 121 | 96.7 Ų | 96.7 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.1 | -42.2 | 172.6 | -75 | -97.5 | -16.8 | 0 | 0 | 112.6 | D553 A554 Y555 L560 K561 | D553-Q557 WeakPolarHBondContact O-CB 3.49Å; D553-Q557 VanDerWaalsContact O-CG 3.24Å; D553-Q557 WeakPolarHBondContact O-CG 3.41Å; D553-Q557 PolarHBondContact O-N 3.35Å; A554-Q557 PolarHBondContact O-N 2.9Å; Y555-Q557 VanDerWaalsContact C-N 3.35Å; Y555-Q557 PolarHBondContact O-N 3.35Å; Q557-L560 PolarHBondContact O-N 2.67Å; Q557-K561 WeakPolarHBondContact O-CB 3.36Å; Q557-K561 PolarHBondContact O-N 3.29Å |
| 558 | I | 39.6 | Very low | 37.8 | Very low | 87 Ų | 87 | 98.1 Ų | 98.1 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 176.7 | -69.9 | 164.7 | 0 | 0 | 0 | 110 | A554 Y555 L560 K561 F562 | A554-I558 VanDerWaalsContact O-CG1 3.25Å; A554-I558 WeakPolarHBondContact O-CG1 3.2Å; A554-I558 PolarHBondContact O-N 2.89Å; Y555-I558 PolarHBondContact O-N 3.44Å; I558-L560 PolarHBondContact O-N 3.26Å; I558-K561 PolarHBondContact O-N 3.42Å; I558-F562 HydrophobicContact CG2-CD2 3.9Å; I558-F562 HydrophobicContact CG2-CE2 4.28Å; I558-F562 WeakPolarHBondContact O-CB 3.31Å; I558-F562 PolarHBondContact O-N 3.45Å |
| 559 | L | 35.5 | Very low | 37.5 | Very low | 60 Ų | 60 | 96.3 Ų | 96.3 | 31% | 0.314 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 177.9 | -76.5 | 167 | 0 | 0 | 0 | 112.3 | Y555 Q556 F562 G563 N584 M588 | Y555-L559 WeakPolarHBondContact O-CG 3.21Å; Y555-L559 PolarHBondContact O-N 3.33Å; Q556-L559 PolarHBondContact O-N 2.97Å; L559-F562 PolarHBondContact O-N 2.88Å; L559-G563 PolarHBondContact O-N 3.09Å; L559-N584 HydrophobicContact CD2-CB 4.37Å; L559-M588 HydrophobicContact CD1-CG 3.93Å; L559-M588 HydrophobicContact CD1-SD 4.37Å |
| 560 | L | 38.2 | Very low | 37.1 | Very low | 125 Ų | 125 | 95.8 Ų | 95.8 | 65% | 0.654 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.7 | -43.1 | 175.2 | -76.2 | 167 | 0 | 0 | 0 | 112.1 | Q556 Q557 I558 G563 S564 | Q556-L560 WeakPolarHBondContact O-CB 3.17Å; Q556-L560 WeakPolarHBondContact O-CG 3.46Å; Q556-L560 PolarHBondContact O-N 2.64Å; Q557-L560 PolarHBondContact O-N 2.67Å; I558-L560 PolarHBondContact O-N 3.26Å; L560-G563 PolarHBondContact O-N 3.34Å; L560-S564 PolarHBondContact O-N 2.92Å |
| 561 | K | 39.8 | Very low | 36.6 | Very low | 148 Ų | 148 | 96.4 Ų | 96.4 | 64% | 0.643 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67 | -37 | 175.8 | -86.8 | -175.6 | 175.1 | 177.8 | 0 | 112.9 | Q557 I558 S564 V565 | Q557-K561 WeakPolarHBondContact O-CB 3.36Å; Q557-K561 PolarHBondContact O-N 3.29Å; I558-K561 PolarHBondContact O-N 3.42Å; K561-S564 PolarHBondContact O-OG 2.91Å; K561-S564 VanDerWaalsContact O-OG 3.05Å; K561-V565 WeakPolarHBondContact O-CG2 3.48Å |
| 562 | F | 33.4 | Very low | 36.1 | Very low | 133 Ų | 133 | 98.2 Ų | 98.2 | 58% | 0.583 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -73.1 | -36.6 | 175.6 | -97.9 | -91.5 | 0 | 0 | 0 | 111.6 | I558 L559 S564 V565 I566 | I558-F562 HydrophobicContact CG2-CD2 3.9Å; I558-F562 HydrophobicContact CG2-CE2 4.28Å; I558-F562 WeakPolarHBondContact O-CB 3.31Å; I558-F562 PolarHBondContact O-N 3.45Å; L559-F562 PolarHBondContact O-N 2.88Å; F562-S564 VanDerWaalsContact C-N 3.32Å; F562-S564 PolarHBondContact O-N 3.1Å; F562-V565 PolarHBondContact O-N 3.28Å; F562-I566 WeakPolarHBondContact O-CD1 3.32Å; F562-I566 WeakPolarHBondContact O-CG1 3.4Å; F562-I566 PolarHBondContact O-N 3.3Å |
| 563 | G | 30.8 | Very low | 35.8 | Very low | 31 Ų | 31 | 102 Ų | 102 | 32% | 0.32 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -56.4 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L559 L560 V565 I566 E567 | L559-G563 PolarHBondContact O-N 3.09Å; L560-G563 PolarHBondContact O-N 3.34Å; G563-V565 PolarHBondContact O-N 3.45Å; G563-I566 PolarHBondContact O-N 3.49Å; G563-E567 PolarHBondContact O-N 2.93Å; G563-E567 VanDerWaalsContact O-N 3.15Å |
| 564 | S | 35.2 | Very low | 35.4 | Very low | 70 Ų | 70 | 100.9 Ų | 100.9 | 49% | 0.49 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.3 | -31.2 | 178.7 | 65 | 0 | 0 | 0 | 0 | 113.7 | L560 K561 F562 I566 T568 | L560-S564 PolarHBondContact O-N 2.92Å; K561-S564 PolarHBondContact O-OG 2.91Å; K561-S564 VanDerWaalsContact O-OG 3.05Å; F562-S564 VanDerWaalsContact C-N 3.32Å; F562-S564 PolarHBondContact O-N 3.1Å; S564-I566 VanDerWaalsContact C-N 3.35Å; S564-T568 PolarHBondContact O-OG1 3.39Å |
| 565 | V | 32.3 | Very low | 35 | Very low | 79 Ų | 79 | 103.1 Ų | 103.1 | 48% | 0.479 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.9 | -32 | 174.3 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | K561 F562 G563 T568 | K561-V565 WeakPolarHBondContact O-CG2 3.48Å; F562-V565 PolarHBondContact O-N 3.28Å; G563-V565 PolarHBondContact O-N 3.45Å; V565-T568 WeakPolarHBondContact CA-OG1 3.44Å; V565-T568 PolarHBondContact O-N 3.14Å; V565-T568 PolarHBondContact O-OG1 3.3Å; V565-T568 VanDerWaalsContact O-OG1 3.1Å |
| 566 | I | 27.2 | Very low | 34.8 | Very low | 70 Ų | 70 | 99.6 Ų | 99.6 | 36% | 0.359 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.3 | -34.9 | 178.3 | -67.4 | 161.3 | 0 | 0 | 0 | 111.2 | F562 G563 S564 T568 I569 V577 | F562-I566 WeakPolarHBondContact O-CD1 3.32Å; F562-I566 WeakPolarHBondContact O-CG1 3.4Å; F562-I566 PolarHBondContact O-N 3.3Å; G563-I566 PolarHBondContact O-N 3.49Å; S564-I566 VanDerWaalsContact C-N 3.35Å; I566-T568 PolarHBondContact O-N 3.12Å; I566-I569 PolarHBondContact O-N 2.85Å; I566-V577 HydrophobicContact CD1-CG1 3.46Å; I566-V577 VanDerWaalsContact CD1-CG1 3.46Å; I566-V577 HydrophobicContact CG1-CG1 3.81Å; I566-V577 HydrophobicContact CG2-CG1 3.88Å |
| 567 | E | 29.5 | Very low | 34.6 | Very low | 168 Ų | 168 | 97.4 Ų | 97.4 | 79% | 0.785 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.9 | -23.4 | 173 | -74.7 | -174.1 | 171.9 | 0 | 0 | 113 | G563 | G563-E567 PolarHBondContact O-N 2.93Å; G563-E567 VanDerWaalsContact O-N 3.15Å |
| 568 | T | 39.2 | Very low | 34.4 | Very low | 106 Ų | 106 | 98.3 Ų | 98.3 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8.1 | -176.8 | 4.4 | 0 | 0 | 0 | 0 | 114.5 | S564 V565 I566 | S564-T568 PolarHBondContact O-OG1 3.39Å; V565-T568 WeakPolarHBondContact CA-OG1 3.44Å; V565-T568 PolarHBondContact O-N 3.14Å; V565-T568 PolarHBondContact O-OG1 3.3Å; V565-T568 VanDerWaalsContact O-OG1 3.1Å; I566-T568 PolarHBondContact O-N 3.12Å |
| 569 | I | 29.3 | Very low | 34.5 | Very low | 80 Ų | 80 | 95.3 Ų | 95.3 | 41% | 0.41 | 52% | 0.515 | S | S | . | . | trans | -129.5 | 75.5 | -178.6 | -47.5 | 178.8 | 0 | 0 | 0 | 109.2 | I566 D571 M572 | I566-I569 PolarHBondContact O-N 2.85Å; I569-D571 VanDerWaalsContact C-N 3.35Å; I569-D571 PolarHBondContact O-N 3.38Å; I569-M572 HydrophobicContact CG2-CB 4.49Å; I569-M572 HydrophobicContact CG2-CE 4.05Å | ||
| 570 | P | 34.6 | Very low | 34.8 | Very low | 85 Ų | 85 | 96.6 Ų | 96.6 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -28.3 | -167 | -21.7 | 34.6 | 0 | 0 | 0 | 114.5 | S574 | P570-S574 WeakPolarHBondContact O-CB 3.4Š|
| 571 | D | 32.9 | Very low | 35.1 | Very low | 155 Ų | 155 | 92.7 Ų | 92.7 | 83% | 0.829 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -11.3 | -162.4 | -67.3 | -25.7 | 0 | 0 | 0 | 116.6 | I569 | I569-D571 VanDerWaalsContact C-N 3.35Å; I569-D571 PolarHBondContact O-N 3.38Å |
| 572 | M | 31.5 | Very low | 35.5 | Very low | 143 Ų | 143 | 89.5 Ų | 89.5 | 70% | 0.704 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -15.7 | -177.7 | -82.4 | -166.3 | -63.5 | 0 | 0 | 115.5 | I569 | I569-M572 HydrophobicContact CG2-CB 4.49Å; I569-M572 HydrophobicContact CG2-CE 4.05Å |
| 573 | F | 31.6 | Very low | 36.2 | Very low | 115 Ų | 115 | 85.6 Ų | 85.6 | 50% | 0.504 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -137.8 | 10 | -167.3 | -69.8 | -73.9 | 0 | 0 | 0 | 114.6 | T575 V577 | F573-T575 VanDerWaalsContact C-N 3.29Å; F573-T575 PolarHBondContact O-N 3.38Å; F573-T575 VanDerWaalsContact O-N 3.07Å; F573-V577 HydrophobicContact CB-CB 4.06Å; F573-V577 HydrophobicContact CB-CG2 3.67Å; F573-V577 HydrophobicContact CD1-CG2 4.03Å; F573-V577 HydrophobicContact CG-CG2 4.14Å; F573-V577 WeakPolarHBondContact O-CB 3.34Å; F573-V577 PolarHBondContact O-N 3.4Å |
| 574 | S | 37.2 | Very low | 36.8 | Very low | 74 Ų | 74 | 87 Ų | 87 | 52% | 0.517 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.2 | -159.1 | 76.4 | 0 | 0 | 0 | 0 | 115.4 | P570 K578 | P570-S574 WeakPolarHBondContact O-CB 3.4Å; S574-K578 WeakPolarHBondContact O-CB 3.22Å |
| 575 | T | 35.6 | Very low | 37.6 | Very low | 96 Ų | 96 | 90.2 Ų | 90.2 | 59% | 0.589 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -51.3 | -179.5 | -27.2 | 0 | 0 | 0 | 0 | 112.3 | F573 C579 | F573-T575 VanDerWaalsContact C-N 3.29Å; F573-T575 PolarHBondContact O-N 3.38Å; F573-T575 VanDerWaalsContact O-N 3.07Å; T575-C579 WeakPolarHBondContact O-CB 3.32Å; T575-C579 PolarHBondContact O-N 3.22Å |
| 576 | S | 36.1 | Very low | 38.4 | Very low | 67 Ų | 67 | 89.2 Ų | 89.2 | 47% | 0.469 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.7 | -41.5 | -175.8 | -53 | 0 | 0 | 0 | 0 | 112.4 | C579 I580 | S576-C579 WeakPolarHBondContact O-CB 3.39Å; S576-C579 PolarHBondContact O-N 3.46Å; S576-I580 VanDerWaalsContact O-CG1 3.3Å; S576-I580 WeakPolarHBondContact O-CG1 3.34Å; S576-I580 PolarHBondContact O-N 3.16Å |
| 577 | V | 34.5 | Very low | 39.2 | Very low | 33 Ų | 33 | 89.5 Ų | 89.5 | 20% | 0.2 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -79.8 | -35.3 | -178.1 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | I566 F573 C579 I580 A581 | I566-V577 HydrophobicContact CD1-CG1 3.46Å; I566-V577 VanDerWaalsContact CD1-CG1 3.46Å; I566-V577 HydrophobicContact CG1-CG1 3.81Å; I566-V577 HydrophobicContact CG2-CG1 3.88Å; F573-V577 HydrophobicContact CB-CB 4.06Å; F573-V577 HydrophobicContact CB-CG2 3.67Å; F573-V577 HydrophobicContact CD1-CG2 4.03Å; F573-V577 HydrophobicContact CG-CG2 4.14Å; F573-V577 WeakPolarHBondContact O-CB 3.34Å; F573-V577 PolarHBondContact O-N 3.4Å; V577-C579 VanDerWaalsContact C-N 3.27Å; V577-C579 PolarHBondContact O-N 3.17Å; V577-I580 PolarHBondContact O-N 3.04Å; V577-A581 VanDerWaalsContact O-CB 3.25Å; V577-A581 WeakPolarHBondContact O-CB 3.48Å; V577-A581 PolarHBondContact O-N 3.04Å |
| 578 | K | 39.1 | Very low | 39.9 | Very low | 140 Ų | 140 | 83 Ų | 83 | 61% | 0.609 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.2 | -38.3 | 170.4 | -164.4 | 174.6 | -175 | 176.8 | 0 | 111 | S574 A581 D582 | S574-K578 WeakPolarHBondContact O-CB 3.22Å; K578-A581 PolarHBondContact O-N 3.43Å; K578-D582 WeakPolarHBondContact O-CB 2.96Å; K578-D582 VanDerWaalsContact O-CG 3.29Å; K578-D582 PolarHBondContact O-N 3.38Å |
| 579 | C | 40.6 | Very low | 40.4 | Very low | 23 Ų | 23 | 82.1 Ų | 82.1 | 16% | 0.155 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 172.5 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | T575 S576 V577 D582 Q583 | T575-C579 WeakPolarHBondContact O-CB 3.32Å; T575-C579 PolarHBondContact O-N 3.22Å; S576-C579 WeakPolarHBondContact O-CB 3.39Å; S576-C579 PolarHBondContact O-N 3.46Å; V577-C579 VanDerWaalsContact C-N 3.27Å; V577-C579 PolarHBondContact O-N 3.17Å; C579-D582 PolarHBondContact O-N 2.68Å; C579-Q583 VanDerWaalsContact O-CB 3.3Å; C579-Q583 WeakPolarHBondContact O-CB 3.48Å; C579-Q583 VanDerWaalsContact O-CG 3.25Å; C579-Q583 WeakPolarHBondContact O-CG 3.3Å; C579-Q583 PolarHBondContact O-N 3.15Å |
| 580 | I | 41.8 | Very low | 41.2 | Very low | 87 Ų | 87 | 80.8 Ų | 80.8 | 45% | 0.446 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 176.6 | -68.1 | 164.6 | 0 | 0 | 0 | 110.8 | S576 V577 Q583 N584 | S576-I580 VanDerWaalsContact O-CG1 3.3Å; S576-I580 WeakPolarHBondContact O-CG1 3.34Å; S576-I580 PolarHBondContact O-N 3.16Å; V577-I580 PolarHBondContact O-N 3.04Å; I580-Q583 PolarHBondContact O-N 3.22Å; I580-N584 WeakPolarHBondContact CG2-ND2 3.37Å; I580-N584 VanDerWaalsContact O-CB 3.23Å; I580-N584 WeakPolarHBondContact O-CB 3.47Å; I580-N584 PolarHBondContact O-N 3.13Å; I580-N584 PolarHBondContact O-ND2 2.97Å |
| 581 | A | 45 | Very low | 41.7 | Very low | 43 Ų | 43 | 80 Ų | 80 | 36% | 0.355 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V577 K578 N584 K585 | V577-A581 VanDerWaalsContact O-CB 3.25Å; V577-A581 WeakPolarHBondContact O-CB 3.48Å; V577-A581 PolarHBondContact O-N 3.04Å; K578-A581 PolarHBondContact O-N 3.43Å; A581-N584 PolarHBondContact O-N 3.45Å; A581-K585 VanDerWaalsContact O-CB 3.24Å; A581-K585 WeakPolarHBondContact O-CB 3.44Å; A581-K585 PolarHBondContact O-N 3.27Å |
| 582 | D | 48.3 | Very low | 42.4 | Very low | 82 Ų | 82 | 75.7 Ų | 75.7 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 176.5 | -73.3 | -23.2 | 0 | 0 | 0 | 111.4 | K578 C579 K585 E586 | K578-D582 WeakPolarHBondContact O-CB 2.96Å; K578-D582 VanDerWaalsContact O-CG 3.29Å; K578-D582 PolarHBondContact O-N 3.38Å; C579-D582 PolarHBondContact O-N 2.68Å; D582-K585 PolarHBondContact O-N 3.5Å; D582-E586 PolarHBondContact O-N 2.96Å |
| 583 | Q | 47 | Very low | 43 | Very low | 51 Ų | 51 | 72.6 Ų | 72.6 | 24% | 0.238 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 173.9 | -78.2 | 176.1 | -15 | 0 | 0 | 112 | C579 I580 K585 E586 L587 F611 C615 | C579-Q583 VanDerWaalsContact O-CB 3.3Å; C579-Q583 WeakPolarHBondContact O-CB 3.48Å; C579-Q583 VanDerWaalsContact O-CG 3.25Å; C579-Q583 WeakPolarHBondContact O-CG 3.3Å; C579-Q583 PolarHBondContact O-N 3.15Å; I580-Q583 PolarHBondContact O-N 3.22Å; Q583-K585 VanDerWaalsContact C-N 3.35Å; Q583-E586 PolarHBondContact O-N 3.36Å; Q583-L587 WeakPolarHBondContact O-CB 3.38Å; Q583-L587 PolarHBondContact O-N 2.97Å; Q583-F611 HydrophobicContact CB-CE2 4.15Å; Q583-F611 HydrophobicContact CG-CE2 4.23Å; Q583-C615 PolarHBondContact NE2-SG 2.72Å |
| 584 | N | 45.2 | Very low | 43.6 | Very low | 60 Ų | 60 | 70 Ų | 70 | 32% | 0.321 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.9 | -37.9 | 176.7 | -76.2 | -18.3 | 0 | 0 | 0 | 111.2 | L559 I580 A581 L587 M588 | L559-N584 HydrophobicContact CD2-CB 4.37Å; I580-N584 WeakPolarHBondContact CG2-ND2 3.37Å; I580-N584 VanDerWaalsContact O-CB 3.23Å; I580-N584 WeakPolarHBondContact O-CB 3.47Å; I580-N584 PolarHBondContact O-N 3.13Å; I580-N584 PolarHBondContact O-ND2 2.97Å; A581-N584 PolarHBondContact O-N 3.45Å; N584-L587 PolarHBondContact O-N 3.29Å; N584-M588 VanDerWaalsContact O-CB 3.31Å; N584-M588 WeakPolarHBondContact O-CB 2.9Å; N584-M588 WeakPolarHBondContact O-CG 3.29Å; N584-M588 PolarHBondContact O-N 3.09Å |
| 585 | K | 50.9 | Low | 43.7 | Very low | 138 Ų | 138 | 71.3 Ų | 71.3 | 60% | 0.6 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.5 | -43.3 | 175.1 | -173.3 | 178 | 179.4 | 179.5 | 0 | 111.4 | A581 D582 Q583 M588 L589 | A581-K585 VanDerWaalsContact O-CB 3.24Å; A581-K585 WeakPolarHBondContact O-CB 3.44Å; A581-K585 PolarHBondContact O-N 3.27Å; D582-K585 PolarHBondContact O-N 3.5Å; Q583-K585 VanDerWaalsContact C-N 3.35Å; K585-M588 PolarHBondContact O-N 3.45Å; K585-L589 HydrophobicContact CG-CD1 4.39Å; K585-L589 WeakPolarHBondContact O-CB 3.08Å; K585-L589 VanDerWaalsContact O-CG 3.3Å; K585-L589 WeakPolarHBondContact O-CG 3.06Å; K585-L589 PolarHBondContact O-N 3Å |
| 586 | E | 48.8 | Very low | 44.1 | Very low | 58 Ų | 58 | 74.3 Ų | 74.3 | 27% | 0.271 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 174.8 | -74.5 | -163 | 155.8 | 0 | 0 | 112.2 | D582 Q583 L589 F590 F611 | D582-E586 PolarHBondContact O-N 2.96Å; Q583-E586 PolarHBondContact O-N 3.36Å; E586-L589 PolarHBondContact O-N 3.42Å; E586-F590 WeakPolarHBondContact O-CB 3.47Å; E586-F590 PolarHBondContact O-N 3.25Å; E586-F611 HydrophobicContact CB-CD2 4.4Å; E586-F611 WeakPolarHBondContact OE2-CA 3.49Å; E586-F611 PolarHBondContact OE2-N 3.46Å |
| 587 | L | 45.8 | Very low | 44.5 | Very low | 75 Ų | 75 | 73.9 Ų | 73.9 | 39% | 0.393 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 174.5 | -177.5 | 66.7 | 0 | 0 | 0 | 111.5 | Q583 N584 F590 L591 | Q583-L587 WeakPolarHBondContact O-CB 3.38Å; Q583-L587 PolarHBondContact O-N 2.97Å; N584-L587 PolarHBondContact O-N 3.29Å; L587-F590 HydrophobicContact CD1-CD1 4.43Å; L587-F590 WeakPolarHBondContact O-CB 3.49Å; L587-F590 PolarHBondContact O-N 3.46Å; L587-L591 HydrophobicContact CG-CD1 4.17Å; L587-L591 WeakPolarHBondContact O-CB 3.09Å; L587-L591 VanDerWaalsContact O-CG 3.3Å; L587-L591 WeakPolarHBondContact O-CG 3.48Å; L587-L591 PolarHBondContact O-N 3.37Å |
| 588 | M | 43.7 | Very low | 44.6 | Very low | 32 Ų | 32 | 75.4 Ų | 75.4 | 16% | 0.158 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.8 | -41 | 177.4 | -74.5 | -61.7 | -66.9 | 0 | 0 | 111.8 | F552 L559 N584 K585 F590 L591 Q592 | F552-M588 HydrophobicContact CD2-CE 3.99Å; F552-M588 HydrophobicContact CE1-CE 4.35Å; F552-M588 HydrophobicContact CE2-CE 3.36Å; F552-M588 HydrophobicContact CE2-SD 4.42Å; F552-M588 HydrophobicContact CZ-CE 3.58Å; L559-M588 HydrophobicContact CD1-CG 3.93Å; L559-M588 HydrophobicContact CD1-SD 4.37Å; N584-M588 VanDerWaalsContact O-CB 3.31Å; N584-M588 WeakPolarHBondContact O-CB 2.9Å; N584-M588 WeakPolarHBondContact O-CG 3.29Å; N584-M588 PolarHBondContact O-N 3.09Å; K585-M588 PolarHBondContact O-N 3.45Å; M588-F590 VanDerWaalsContact C-N 3.34Å; M588-L591 PolarHBondContact O-N 2.89Å; M588-L591 HydrophobicContact SD-CD1 4.35Å; M588-Q592 VanDerWaalsContact O-CB 3.23Å; M588-Q592 WeakPolarHBondContact O-CB 3.4Å; M588-Q592 PolarHBondContact O-N 2.89Å |
| 589 | L | 49.6 | Very low | 44.5 | Very low | 88 Ų | 88 | 72.8 Ų | 72.8 | 46% | 0.461 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 173.3 | -73.8 | 170.2 | 0 | 0 | 0 | 111.4 | K585 E586 Q592 D593 | K585-L589 HydrophobicContact CG-CD1 4.39Å; K585-L589 WeakPolarHBondContact O-CB 3.08Å; K585-L589 VanDerWaalsContact O-CG 3.3Å; K585-L589 WeakPolarHBondContact O-CG 3.06Å; K585-L589 PolarHBondContact O-N 3Å; E586-L589 PolarHBondContact O-N 3.42Å; L589-Q592 PolarHBondContact O-N 3.44Å; L589-D593 WeakPolarHBondContact O-CB 3.37Å; L589-D593 PolarHBondContact O-N 3.23Å |
| 590 | F | 45.8 | Very low | 44.2 | Very low | 52 Ų | 52 | 77.2 Ų | 77.2 | 23% | 0.228 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 173.7 | 170.9 | -102.9 | 0 | 0 | 0 | 111.7 | E586 L587 M588 Q592 D593 L594 L600 Q608 | E586-F590 WeakPolarHBondContact O-CB 3.47Å; E586-F590 PolarHBondContact O-N 3.25Å; L587-F590 HydrophobicContact CD1-CD1 4.43Å; L587-F590 WeakPolarHBondContact O-CB 3.49Å; L587-F590 PolarHBondContact O-N 3.46Å; M588-F590 VanDerWaalsContact C-N 3.34Å; F590-Q592 VanDerWaalsContact C-N 3.35Å; F590-Q592 PolarHBondContact O-N 3.49Å; F590-D593 PolarHBondContact O-N 3.2Å; F590-L594 HydrophobicContact CD1-CD1 4.49Å; F590-L594 HydrophobicContact CE1-CD1 3.67Å; F590-L594 HydrophobicContact CE2-CD1 3.93Å; F590-L594 HydrophobicContact CZ-CD1 3.34Å; F590-L594 WeakPolarHBondContact O-CB 3.26Å; F590-L594 PolarHBondContact O-N 2.93Å; F590-L600 HydrophobicContact CE2-CD2 4.15Å; F590-L600 HydrophobicContact CZ-CD2 4.23Å; F590-Q608 HydrophobicContact CD2-CG 4.23Å; F590-Q608 HydrophobicContact CE2-CG 3.85Å |
| 591 | L | 44.9 | Very low | 43.7 | Very low | 67 Ų | 67 | 77 Ų | 77 | 35% | 0.351 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 177.7 | -72.3 | 170.8 | 0 | 0 | 0 | 111.8 | L587 M588 L594 L595 | L587-L591 HydrophobicContact CG-CD1 4.17Å; L587-L591 WeakPolarHBondContact O-CB 3.09Å; L587-L591 VanDerWaalsContact O-CG 3.3Å; L587-L591 WeakPolarHBondContact O-CG 3.48Å; L587-L591 PolarHBondContact O-N 3.37Å; M588-L591 PolarHBondContact O-N 2.89Å; M588-L591 HydrophobicContact SD-CD1 4.35Å; L591-L594 PolarHBondContact O-N 3.35Å; L591-L595 WeakPolarHBondContact O-CB 3.5Å; L591-L595 VanDerWaalsContact O-CG 3.27Å; L591-L595 WeakPolarHBondContact O-CG 3.1Å; L591-L595 PolarHBondContact O-N 2.98Å |
| 592 | Q | 47.6 | Very low | 43.3 | Very low | 66 Ų | 66 | 80.6 Ų | 80.6 | 31% | 0.308 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 178.6 | -161.3 | 178.4 | 30.2 | 0 | 0 | 111.8 | F552 M588 L589 F590 K596 | F552-Q592 HydrophobicContact CZ-CG 4.45Å; M588-Q592 VanDerWaalsContact O-CB 3.23Å; M588-Q592 WeakPolarHBondContact O-CB 3.4Å; M588-Q592 PolarHBondContact O-N 2.89Å; L589-Q592 PolarHBondContact O-N 3.44Å; F590-Q592 VanDerWaalsContact C-N 3.35Å; F590-Q592 PolarHBondContact O-N 3.49Å; Q592-K596 WeakPolarHBondContact O-CB 3.49Å; Q592-K596 WeakPolarHBondContact O-CG 3.47Å; Q592-K596 PolarHBondContact O-N 3.44Å |
| 593 | D | 44.4 | Very low | 42.7 | Very low | 77 Ų | 77 | 85.6 Ų | 85.6 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 172.2 | -92.5 | -1.1 | 0 | 0 | 0 | 111.2 | L589 F590 L595 K596 S597 | L589-D593 WeakPolarHBondContact O-CB 3.37Å; L589-D593 PolarHBondContact O-N 3.23Å; F590-D593 PolarHBondContact O-N 3.2Å; D593-L595 VanDerWaalsContact C-N 3.33Å; D593-L595 PolarHBondContact O-N 2.68Å; D593-K596 PolarHBondContact O-N 3.26Å; D593-S597 PolarHBondContact O-N 3.46Å; D593-S597 PolarHBondContact O-OG 3.35Å; D593-S597 VanDerWaalsContact O-OG 3.08Å |
| 594 | L | 43 | Very low | 42 | Very low | 61 Ų | 61 | 90.6 Ų | 90.6 | 32% | 0.319 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 178.4 | -148 | 142.7 | 0 | 0 | 0 | 111.9 | F590 L591 G598 L600 | F590-L594 HydrophobicContact CD1-CD1 4.49Å; F590-L594 HydrophobicContact CE1-CD1 3.67Å; F590-L594 HydrophobicContact CE2-CD1 3.93Å; F590-L594 HydrophobicContact CZ-CD1 3.34Å; F590-L594 WeakPolarHBondContact O-CB 3.26Å; F590-L594 PolarHBondContact O-N 2.93Å; L591-L594 PolarHBondContact O-N 3.35Å; L594-G598 PolarHBondContact O-N 3.43Å; L594-G598 VanDerWaalsContact O-N 3.16Å; L594-L600 HydrophobicContact CD1-CD1 4.21Å; L594-L600 HydrophobicContact CD1-CD2 3.95Å; L594-L600 HydrophobicContact CD1-CG 3.93Å; L594-L600 HydrophobicContact CG-CG 4.36Å |
| 595 | L | 40.7 | Very low | 41.7 | Very low | 101 Ų | 101 | 94.2 Ų | 94.2 | 53% | 0.529 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 173.2 | -75 | 167.3 | 0 | 0 | 0 | 112.4 | F552 L591 D593 | F552-L595 HydrophobicContact CD2-CD1 4.19Å; F552-L595 HydrophobicContact CE2-CD1 4.11Å; L591-L595 WeakPolarHBondContact O-CB 3.5Å; L591-L595 VanDerWaalsContact O-CG 3.27Å; L591-L595 WeakPolarHBondContact O-CG 3.1Å; L591-L595 PolarHBondContact O-N 2.98Å; D593-L595 VanDerWaalsContact C-N 3.33Å; D593-L595 PolarHBondContact O-N 2.68Å |
| 596 | K | 43.6 | Very low | 41.1 | Very low | 160 Ų | 160 | 90.6 Ų | 90.6 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -76.5 | -39.6 | 179.2 | -79.4 | -178 | 179.7 | 177 | 0 | 113.5 | Q592 D593 | Q592-K596 WeakPolarHBondContact O-CB 3.49Å; Q592-K596 WeakPolarHBondContact O-CG 3.47Å; Q592-K596 PolarHBondContact O-N 3.44Å; D593-K596 PolarHBondContact O-N 3.26Å |
| 597 | S | 44.3 | Very low | 40.5 | Very low | 57 Ų | 57 | 89.6 Ų | 89.6 | 40% | 0.399 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -84.4 | -17.5 | -178 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | D593 T599 | D593-S597 PolarHBondContact O-N 3.46Å; D593-S597 PolarHBondContact O-OG 3.35Å; D593-S597 VanDerWaalsContact O-OG 3.08Å; S597-T599 WeakPolarHBondContact CB-O 3.36Å; S597-T599 PolarHBondContact O-N 3.13Å; S597-T599 PolarHBondContact O-OG1 2.79Å; S597-T599 PolarHBondContact OG-O 3.01Å |
| 598 | G | 37.1 | Very low | 40 | Very low | 65 Ų | 65 | 89.8 Ų | 89.8 | 67% | 0.67 | 48% | 0.484 | S | S | * | . | S | Bend | trans | 60.6 | -1.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | L594 | L594-G598 PolarHBondContact O-N 3.43Å; L594-G598 VanDerWaalsContact O-N 3.16Å |
| 599 | T | 36.8 | Very low | 39.7 | Very low | 85 Ų | 85 | 92.6 Ų | 92.6 | 52% | 0.521 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -152.7 | 131.3 | -172 | 46.7 | 0 | 0 | 0 | 0 | 108.7 | S597 T601 | S597-T599 WeakPolarHBondContact CB-O 3.36Å; S597-T599 PolarHBondContact O-N 3.13Å; S597-T599 PolarHBondContact O-OG1 2.79Å; S597-T599 PolarHBondContact OG-O 3.01Å; T599-T601 PolarHBondContact O-N 2.64Å |
| 600 | L | 33.8 | Very low | 39 | Very low | 117 Ų | 117 | 96.6 Ų | 96.6 | 61% | 0.613 | 51% | 0.512 | S | S | * | . | trans | -69.4 | 78.4 | 169 | -88 | 150 | 0 | 0 | 0 | 108.3 | F590 L594 T602 | F590-L600 HydrophobicContact CE2-CD2 4.15Å; F590-L600 HydrophobicContact CZ-CD2 4.23Å; L594-L600 HydrophobicContact CD1-CD1 4.21Å; L594-L600 HydrophobicContact CD1-CD2 3.95Å; L594-L600 HydrophobicContact CD1-CG 3.93Å; L594-L600 HydrophobicContact CG-CG 4.36Å; L600-T602 PolarHBondContact O-N 3.11Å | ||
| 601 | T | 32.4 | Very low | 38.5 | Very low | 83 Ų | 83 | 97 Ų | 97 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | trans | -70.2 | 116.1 | 174.1 | 46.2 | 0 | 0 | 0 | 0 | 108.6 | T599 E603 K604 | T599-T601 PolarHBondContact O-N 2.64Å; T601-E603 PolarHBondContact O-N 3.12Å; T601-K604 PolarHBondContact O-N 2.91Å | ||
| 602 | T | 36.6 | Very low | 38.2 | Very low | 117 Ų | 117 | 100 Ų | 100 | 72% | 0.718 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -11.4 | -173.8 | 36.4 | 0 | 0 | 0 | 0 | 114.5 | L600 | L600-T602 PolarHBondContact O-N 3.11Š|
| 603 | E | 35.3 | Very low | 37.8 | Very low | 187 Ų | 187 | 99.3 Ų | 99.3 | 87% | 0.874 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -14.9 | -178.5 | -69.9 | -169.5 | 155 | 0 | 0 | 114.4 | T601 | T601-E603 PolarHBondContact O-N 3.12Š|
| 604 | K | 31.5 | Very low | 37.5 | Very low | 156 Ų | 156 | 97.1 Ų | 97.1 | 68% | 0.678 | 52% | 0.52 | S | S | * | . | trans | -105.4 | 59.7 | 171.8 | -70.1 | -172.6 | 179.9 | 178.9 | 0 | 111.7 | T601 A606 P607 | T601-K604 PolarHBondContact O-N 2.91Å; K604-A606 PolarHBondContact O-N 3.33Å; K604-A606 VanDerWaalsContact O-N 3.09Å; K604-P607 WeakPolarHBondContact O-CD 3.42Å | ||
| 605 | K | 38.2 | Very low | 37.1 | Very low | 137 Ų | 137 | 96.3 Ų | 96.3 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | trans | -62.3 | -6.7 | 169.3 | -79.2 | 179.1 | -178.1 | 177.6 | 0 | 114.4 | V609 | K605-V609 HydrophobicContact CB-CG2 4.42Å; K605-V609 WeakPolarHBondContact O-CG2 3.12Å; K605-V609 PolarHBondContact O-N 3.34Å | ||
| 606 | A | 39.9 | Very low | 36.9 | Very low | 62 Ų | 62 | 100.7 Ų | 100.7 | 51% | 0.512 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115 | K604 R610 | K604-A606 PolarHBondContact O-N 3.33Å; K604-A606 VanDerWaalsContact O-N 3.09Å; A606-R610 WeakPolarHBondContact O-CB 3.44Å; A606-R610 WeakPolarHBondContact O-CG 3.37Å; A606-R610 PolarHBondContact O-N 3.46Å; A606-R610 VanDerWaalsContact O-N 3.17Å |
| 607 | P | 35.2 | Very low | 36.7 | Very low | 37 Ų | 37 | 99.5 Ų | 99.5 | 24% | 0.24 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -73 | -43.3 | -176.9 | -16.9 | 31.5 | 0 | 0 | 0 | 112.6 | K604 V609 R610 F611 | K604-P607 WeakPolarHBondContact O-CD 3.42Å; P607-V609 PolarHBondContact O-N 3.26Å; P607-R610 PolarHBondContact O-N 3.17Å; P607-F611 WeakPolarHBondContact O-CB 3.4Å; P607-F611 PolarHBondContact O-N 2.91Å |
| 608 | Q | 35.6 | Very low | 36.4 | Very low | 78 Ų | 78 | 101.2 Ų | 101.2 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | -179.8 | -71.1 | 176.1 | -11.9 | 0 | 0 | 111.6 | F590 F611 F612 | F590-Q608 HydrophobicContact CD2-CG 4.23Å; F590-Q608 HydrophobicContact CE2-CG 3.85Å; Q608-F611 PolarHBondContact O-N 3.32Å; Q608-F612 WeakPolarHBondContact O-CD2 3.39Å; Q608-F612 PolarHBondContact O-N 3.45Å |
| 609 | V | 37.1 | Very low | 36.4 | Very low | 92 Ų | 92 | 102.5 Ų | 102.5 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.7 | -38.7 | 178.5 | 176.5 | 0 | 0 | 0 | 0 | 111 | K605 P607 A613 | K605-V609 HydrophobicContact CB-CG2 4.42Å; K605-V609 WeakPolarHBondContact O-CG2 3.12Å; K605-V609 PolarHBondContact O-N 3.34Å; P607-V609 PolarHBondContact O-N 3.26Å; V609-A613 WeakPolarHBondContact O-CB 3.42Å; V609-A613 PolarHBondContact O-N 2.92Å |
| 610 | R | 35.6 | Very low | 36.4 | Very low | 172 Ų | 172 | 101.7 Ų | 101.7 | 65% | 0.649 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 174.7 | -78.5 | -177 | -177.9 | 179.1 | 1.6 | 112.3 | A606 P607 A613 S614 | A606-R610 WeakPolarHBondContact O-CB 3.44Å; A606-R610 WeakPolarHBondContact O-CG 3.37Å; A606-R610 PolarHBondContact O-N 3.46Å; A606-R610 VanDerWaalsContact O-N 3.17Å; P607-R610 PolarHBondContact O-N 3.17Å; R610-A613 PolarHBondContact O-N 3.29Å; R610-S614 PolarHBondContact O-N 3.38Å |
| 611 | F | 35.1 | Very low | 36.8 | Very low | 59 Ų | 59 | 98.5 Ų | 98.5 | 26% | 0.259 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 176.3 | 179.7 | -98.5 | 0 | 0 | 0 | 112.1 | Q583 E586 P607 Q608 A613 S614 C615 | Q583-F611 HydrophobicContact CB-CE2 4.15Å; Q583-F611 HydrophobicContact CG-CE2 4.23Å; E586-F611 HydrophobicContact CB-CD2 4.4Å; E586-F611 WeakPolarHBondContact OE2-CA 3.49Å; E586-F611 PolarHBondContact OE2-N 3.46Å; P607-F611 WeakPolarHBondContact O-CB 3.4Å; P607-F611 PolarHBondContact O-N 2.91Å; Q608-F611 PolarHBondContact O-N 3.32Å; F611-A613 PolarHBondContact O-N 3.05Å; F611-S614 PolarHBondContact O-N 3.09Å; F611-S614 PolarHBondContact O-OG 3.16Å; F611-C615 PolarHBondContact O-N 3.25Å; F611-C615 PolarHBondContact O-SG 3.17Å |
| 612 | F | 38.1 | Very low | 37 | Very low | 130 Ų | 130 | 100.5 Ų | 100.5 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.7 | -32.4 | 177.1 | -74.3 | -62.5 | 0 | 0 | 0 | 113 | Q608 R616 | Q608-F612 WeakPolarHBondContact O-CD2 3.39Å; Q608-F612 PolarHBondContact O-N 3.45Å; F612-R616 WeakPolarHBondContact O-CB 3.48Å; F612-R616 WeakPolarHBondContact O-CG 3.42Å; F612-R616 PolarHBondContact O-N 2.99Å |
| 613 | A | 39.5 | Very low | 36.9 | Very low | 53 Ų | 53 | 101 Ų | 101 | 44% | 0.438 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.8 | -38.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | V609 R610 F611 R616 K617 | V609-A613 WeakPolarHBondContact O-CB 3.42Å; V609-A613 PolarHBondContact O-N 2.92Å; R610-A613 PolarHBondContact O-N 3.29Å; F611-A613 PolarHBondContact O-N 3.05Å; A613-R616 PolarHBondContact O-N 2.92Å; A613-K617 PolarHBondContact O-N 3.06Å |
| 614 | S | 37.8 | Very low | 37.1 | Very low | 30 Ų | 30 | 97.4 Ų | 97.4 | 21% | 0.21 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 173.9 | 79.5 | 0 | 0 | 0 | 0 | 110.1 | R610 F611 R616 K617 Y618 | R610-S614 PolarHBondContact O-N 3.38Å; F611-S614 PolarHBondContact O-N 3.09Å; F611-S614 PolarHBondContact O-OG 3.16Å; S614-R616 VanDerWaalsContact C-N 3.32Å; S614-R616 PolarHBondContact O-N 2.9Å; S614-K617 PolarHBondContact O-N 2.97Å; S614-Y618 WeakPolarHBondContact O-CD2 3.15Å; S614-Y618 PolarHBondContact O-N 3.13Å |
| 615 | C | 34.3 | Very low | 37.3 | Very low | 45 Ų | 45 | 92.5 Ų | 92.5 | 30% | 0.304 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.6 | -40 | 174.4 | -69.7 | 0 | 0 | 0 | 0 | 113.1 | Q583 F611 S619 | Q583-C615 PolarHBondContact NE2-SG 2.72Å; F611-C615 PolarHBondContact O-N 3.25Å; F611-C615 PolarHBondContact O-SG 3.17Å; C615-S619 PolarHBondContact O-N 3.4Å |
| 616 | R | 36.6 | Very low | 37.2 | Very low | 193 Ų | 193 | 89.1 Ų | 89.1 | 73% | 0.728 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -72.1 | -35.9 | 177.6 | -80.8 | -175.1 | -175.5 | -175.4 | 2.4 | 113.8 | F612 A613 S614 Y618 S619 S620 | F612-R616 WeakPolarHBondContact O-CB 3.48Å; F612-R616 WeakPolarHBondContact O-CG 3.42Å; F612-R616 PolarHBondContact O-N 2.99Å; A613-R616 PolarHBondContact O-N 2.92Å; S614-R616 VanDerWaalsContact C-N 3.32Å; S614-R616 PolarHBondContact O-N 2.9Å; R616-Y618 PolarHBondContact O-N 3.09Å; R616-S619 PolarHBondContact O-N 2.9Å; R616-S619 PolarHBondContact O-OG 3.3Å; R616-S620 PolarHBondContact O-N 2.85Å |
| 617 | K | 40.2 | Very low | 37 | Very low | 134 Ų | 134 | 89.6 Ų | 89.6 | 58% | 0.583 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.8 | -29.5 | 177.8 | -160.2 | -178.5 | 180 | -171.1 | 0 | 111.7 | A613 S614 S620 | A613-K617 PolarHBondContact O-N 3.06Å; S614-K617 PolarHBondContact O-N 2.97Å; K617-S620 PolarHBondContact O-OG 3.03Å |
| 618 | Y | 38.4 | Very low | 37.2 | Very low | 94 Ų | 94 | 91.7 Ų | 91.7 | 37% | 0.369 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -92.2 | -12.8 | 178.3 | -59.7 | -64 | 0 | 0 | 0 | 114.5 | S614 R616 S620 Y623 | S614-Y618 WeakPolarHBondContact O-CD2 3.15Å; S614-Y618 PolarHBondContact O-N 3.13Å; R616-Y618 PolarHBondContact O-N 3.09Å; Y618-S620 VanDerWaalsContact C-N 3.32Å; Y618-Y623 WeakPolarHBondContact O-CB 3.42Å |
| 619 | S | 37.3 | Very low | 37.3 | Very low | 92 Ų | 92 | 91.8 Ų | 91.8 | 64% | 0.643 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -79.2 | -17.6 | 166.8 | 69.3 | 0 | 0 | 0 | 0 | 112.5 | C615 R616 | C615-S619 PolarHBondContact O-N 3.4Å; R616-S619 PolarHBondContact O-N 2.9Å; R616-S619 PolarHBondContact O-OG 3.3Å |
| 620 | S | 35.8 | Very low | 37.2 | Very low | 68 Ų | 68 | 91.2 Ų | 91.2 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -86.1 | 119.6 | 175.1 | 52.9 | 0 | 0 | 0 | 0 | 111.3 | R616 K617 Y618 E622 | R616-S620 PolarHBondContact O-N 2.85Å; K617-S620 PolarHBondContact O-OG 3.03Å; Y618-S620 VanDerWaalsContact C-N 3.32Å; S620-E622 VanDerWaalsContact C-N 3.26Å; S620-E622 PolarHBondContact O-N 3.37Å |
| 621 | G | 41.4 | Very low | 37 | Very low | 50 Ų | 50 | 91 Ų | 91 | 52% | 0.515 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | -59.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | Y623 I624 A625 | G621-Y623 PolarHBondContact O-N 2.96Å; G621-I624 PolarHBondContact O-N 3.43Å; G621-A625 PolarHBondContact O-N 3.49Å |
| 622 | E | 37.5 | Very low | 37 | Very low | 124 Ų | 124 | 92.3 Ų | 92.3 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.5 | -34.8 | -172.2 | -69.3 | -177.9 | 162 | 0 | 0 | 112.9 | S620 A625 S626 | S620-E622 VanDerWaalsContact C-N 3.26Å; S620-E622 PolarHBondContact O-N 3.37Å; E622-A625 PolarHBondContact O-N 3.03Å; E622-S626 WeakPolarHBondContact O-CB 3.41Å; E622-S626 PolarHBondContact O-N 2.94Å; E622-S626 PolarHBondContact O-OG 3.17Å |
| 623 | Y | 34.6 | Very low | 36.8 | Very low | 128 Ų | 128 | 92.8 Ų | 92.8 | 50% | 0.502 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.5 | -38.4 | 175.5 | -167.8 | -101.7 | 0 | 0 | 0 | 111.9 | Y618 G621 S626 I627 | Y618-Y623 WeakPolarHBondContact O-CB 3.42Å; G621-Y623 PolarHBondContact O-N 2.96Å; Y623-S626 PolarHBondContact O-N 3.12Å; Y623-I627 WeakPolarHBondContact O-CG1 3.36Å; Y623-I627 VanDerWaalsContact O-N 3.07Å; Y623-I627 PolarHBondContact O-N 2.85Å; Y623-I627 VanDerWaalsContact CE1-CD1 3.41Å; Y623-I627 HydrophobicContact CE1-CD1 3.41Å; Y623-I627 HydrophobicContact CD1-CD1 3.79Å; Y623-I627 HydrophobicContact CE1-CG1 4.38Å |
| 624 | I | 39 | Very low | 36.6 | Very low | 112 Ų | 112 | 96 Ų | 96 | 57% | 0.574 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.8 | -46.2 | 174.4 | -60.3 | 178.8 | 0 | 0 | 0 | 109.3 | G621 S626 I627 T628 | G621-I624 PolarHBondContact O-N 3.43Å; I624-S626 VanDerWaalsContact C-N 3.28Å; I624-S626 PolarHBondContact O-N 2.89Å; I624-I627 PolarHBondContact O-N 3.11Å; I624-I627 VanDerWaalsContact O-N 3.16Å; I624-T628 PolarHBondContact O-N 3.35Å; I624-T628 PolarHBondContact O-OG1 2.86Å |
| 625 | A | 36.6 | Very low | 36.3 | Very low | 52 Ų | 52 | 97.6 Ų | 97.6 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G621 E622 T628 T629 | G621-A625 PolarHBondContact O-N 3.49Å; E622-A625 PolarHBondContact O-N 3.03Å; A625-T628 PolarHBondContact O-N 2.85Å; A625-T629 WeakPolarHBondContact O-CB 3.42Å; A625-T629 PolarHBondContact O-N 3.36Å; A625-T629 PolarHBondContact O-OG1 3.36Å |
| 626 | S | 36.4 | Very low | 36.1 | Very low | 66 Ų | 66 | 99.4 Ų | 99.4 | 46% | 0.462 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.4 | -43.3 | 175.7 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | E622 Y623 I624 T629 V630 | E622-S626 WeakPolarHBondContact O-CB 3.41Å; E622-S626 PolarHBondContact O-N 2.94Å; E622-S626 PolarHBondContact O-OG 3.17Å; Y623-S626 PolarHBondContact O-N 3.12Å; I624-S626 VanDerWaalsContact C-N 3.28Å; I624-S626 PolarHBondContact O-N 2.89Å; S626-T629 PolarHBondContact O-N 3.22Å; S626-V630 PolarHBondContact O-N 3.37Å; S626-V630 WeakPolarHBondContact O-CG2 3.35Å; S626-V630 WeakPolarHBondContact O-CB 3.45Å; S626-V630 VanDerWaalsContact O-CG2 3.25Å |
| 627 | I | 35.5 | Very low | 36.1 | Very low | 72 Ų | 72 | 100.2 Ų | 100.2 | 37% | 0.369 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.1 | -39.5 | 174.5 | -69.6 | 174.4 | 0 | 0 | 0 | 111.2 | Y623 I624 V630 R631 | Y623-I627 WeakPolarHBondContact O-CG1 3.36Å; Y623-I627 VanDerWaalsContact O-N 3.07Å; Y623-I627 PolarHBondContact O-N 2.85Å; Y623-I627 VanDerWaalsContact CE1-CD1 3.41Å; Y623-I627 HydrophobicContact CE1-CD1 3.41Å; Y623-I627 HydrophobicContact CD1-CD1 3.79Å; Y623-I627 HydrophobicContact CE1-CG1 4.38Å; I624-I627 PolarHBondContact O-N 3.11Å; I624-I627 VanDerWaalsContact O-N 3.16Å; I627-V630 PolarHBondContact O-N 3.36Å; I627-R631 WeakPolarHBondContact O-CB 3.48Å; I627-R631 WeakPolarHBondContact O-CG 3.25Å; I627-R631 PolarHBondContact O-N 3.4Å |
| 628 | T | 39.1 | Very low | 35.9 | Very low | 82 Ų | 82 | 98.6 Ų | 98.6 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.3 | -41.3 | 177 | -45.6 | 0 | 0 | 0 | 0 | 111.4 | I624 A625 V630 R631 S632 | I624-T628 PolarHBondContact O-N 3.35Å; I624-T628 PolarHBondContact O-OG1 2.86Å; A625-T628 PolarHBondContact O-N 2.85Å; T628-V630 PolarHBondContact O-N 3.49Å; T628-R631 PolarHBondContact O-N 3.43Å; T628-S632 PolarHBondContact O-N 3.03Å |
| 629 | T | 38.3 | Very low | 35.8 | Very low | 80 Ų | 80 | 98.8 Ų | 98.8 | 49% | 0.491 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.8 | -46.2 | 175.2 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | A625 S626 S632 L633 | A625-T629 WeakPolarHBondContact O-CB 3.42Å; A625-T629 PolarHBondContact O-N 3.36Å; A625-T629 PolarHBondContact O-OG1 3.36Å; S626-T629 PolarHBondContact O-N 3.22Å; T629-S632 PolarHBondContact O-OG 3.27Å; T629-S632 PolarHBondContact O-N 3.29Å; T629-L633 HydrophobicContact CG2-CD1 4.11Å; T629-L633 PolarHBondContact O-N 2.85Å |
| 630 | V | 33.5 | Very low | 35.7 | Very low | 79 Ų | 79 | 99.2 Ų | 99.2 | 48% | 0.479 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.5 | -43.6 | 176 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | S626 I627 T628 S632 L633 I634 | S626-V630 PolarHBondContact O-N 3.37Å; S626-V630 WeakPolarHBondContact O-CG2 3.35Å; S626-V630 WeakPolarHBondContact O-CB 3.45Å; S626-V630 VanDerWaalsContact O-CG2 3.25Å; I627-V630 PolarHBondContact O-N 3.36Å; T628-V630 PolarHBondContact O-N 3.49Å; V630-S632 VanDerWaalsContact C-N 3.33Å; V630-S632 PolarHBondContact O-N 3.16Å; V630-L633 PolarHBondContact O-N 2.93Å; V630-I634 HydrophobicContact CG1-CD1 3.49Å; V630-I634 VanDerWaalsContact O-N 3.12Å; V630-I634 PolarHBondContact O-N 3.23Å; V630-I634 WeakPolarHBondContact O-CG1 3.19Å; V630-I634 WeakPolarHBondContact O-CD1 3.34Å; V630-I634 HydrophobicContact CG1-CG1 4.4Å; V630-I634 VanDerWaalsContact CG1-CD1 3.49Å |
| 631 | R | 32.8 | Very low | 35.7 | Very low | 167 Ų | 167 | 101 Ų | 101 | 63% | 0.63 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.6 | -40 | 174.9 | -81.1 | -177.1 | 169.8 | -176.6 | -3.4 | 112.7 | I627 T628 I634 G635 C636 | I627-R631 WeakPolarHBondContact O-CB 3.48Å; I627-R631 WeakPolarHBondContact O-CG 3.25Å; I627-R631 PolarHBondContact O-N 3.4Å; T628-R631 PolarHBondContact O-N 3.43Å; R631-I634 PolarHBondContact O-N 2.95Å; R631-G635 PolarHBondContact O-N 2.83Å; R631-C636 PolarHBondContact O-N 2.95Å |
| 632 | S | 35 | Very low | 35.3 | Very low | 88 Ų | 88 | 104.2 Ų | 104.2 | 62% | 0.615 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.2 | -37.4 | 176.6 | 86.6 | 0 | 0 | 0 | 0 | 112.4 | T628 T629 V630 I634 G635 | T628-S632 PolarHBondContact O-N 3.03Å; T629-S632 PolarHBondContact O-OG 3.27Å; T629-S632 PolarHBondContact O-N 3.29Å; V630-S632 VanDerWaalsContact C-N 3.33Å; V630-S632 PolarHBondContact O-N 3.16Å; S632-I634 VanDerWaalsContact C-N 3.31Å; S632-I634 PolarHBondContact O-N 2.9Å; S632-G635 PolarHBondContact O-N 3.28Å |
| 633 | L | 34.6 | Very low | 35.2 | Very low | 140 Ų | 140 | 102.9 Ų | 102.9 | 73% | 0.733 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.6 | -28.9 | 178.9 | -89.9 | 158.4 | 0 | 0 | 0 | 112.9 | T629 V630 G635 | T629-L633 HydrophobicContact CG2-CD1 4.11Å; T629-L633 PolarHBondContact O-N 2.85Å; V630-L633 PolarHBondContact O-N 2.93Å; L633-G635 VanDerWaalsContact C-N 3.33Å |
| 634 | I | 34.8 | Very low | 35.2 | Very low | 120 Ų | 120 | 101.1 Ų | 101.1 | 62% | 0.615 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 8.4 | -179 | -42.9 | 155.9 | 0 | 0 | 0 | 111.4 | V630 R631 S632 C636 | V630-I634 HydrophobicContact CG1-CD1 3.49Å; V630-I634 VanDerWaalsContact O-N 3.12Å; V630-I634 PolarHBondContact O-N 3.23Å; V630-I634 WeakPolarHBondContact O-CG1 3.19Å; V630-I634 WeakPolarHBondContact O-CD1 3.34Å; V630-I634 HydrophobicContact CG1-CG1 4.4Å; V630-I634 VanDerWaalsContact CG1-CD1 3.49Å; R631-I634 PolarHBondContact O-N 2.95Å; S632-I634 VanDerWaalsContact C-N 3.31Å; S632-I634 PolarHBondContact O-N 2.9Å; I634-C636 PolarHBondContact O-N 3.06Å; I634-C636 VanDerWaalsContact O-N 3.16Å |
| 635 | G | 31.4 | Very low | 35 | Very low | 63 Ų | 63 | 100.2 Ų | 100.2 | 65% | 0.649 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.7 | 18.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R631 S632 L633 T637 | R631-G635 PolarHBondContact O-N 2.83Å; S632-G635 PolarHBondContact O-N 3.28Å; L633-G635 VanDerWaalsContact C-N 3.33Å; G635-T637 PolarHBondContact O-N 3.4Å |
| 636 | C | 29.4 | Very low | 34.8 | Very low | 84 Ų | 84 | 104.3 Ų | 104.3 | 57% | 0.568 | 62% | 0.617 | S | S | * | * | trans | -91.4 | 89.9 | 173.9 | -62.9 | 0 | 0 | 0 | 0 | 108.7 | R631 I634 | R631-C636 PolarHBondContact O-N 2.95Å; I634-C636 PolarHBondContact O-N 3.06Å; I634-C636 VanDerWaalsContact O-N 3.16Å | ||
| 637 | T | 37.3 | Very low | 34.7 | Very low | 210 Ų | 210 | 107.7 Ų | 107.7 | 100% | 1.288 | 63% | 0.631 | S | S | * | * | trans | -74.6 | 0 | 164.4 | 49.5 | 0 | 0 | 0 | 0 | 110.8 | G635 | G635-T637 PolarHBondContact O-N 3.4Š|
Retrieved 637 of 637 residues in 296.5 ms
(Link to these results)