| 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 | 37.9 | Very low | 82.6 | Confident | 240 Ų | 240 | 88.2 Ų | 88.2 | 100% | 1.182 | 52% | 0.524 | S | S | * | . | 0 | 119.1 | 0 | -67.9 | 173.7 | -171.5 | 0 | 0 | 106 | G3 | M1-G3 PolarHBondContact O-N 3.27Š| |||
| 2 | K | 44.3 | Very low | 83.9 | Confident | 216 Ų | 216 | 84.7 Ų | 84.7 | 94% | 0.939 | 50% | 0.499 | S | S | * | . | trans | -66.6 | 114.4 | 169.6 | -77.6 | -176.1 | 173.9 | -173.8 | 0 | 106 | ||||
| 3 | G | 62.5 | Low | 85 | Confident | 71 Ų | 71 | 89.2 Ų | 89.2 | 73% | 0.732 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 147.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | M1 | M1-G3 PolarHBondContact O-N 3.27Š|
| 4 | G | 85.6 | Confident | 86 | Confident | 67 Ų | 67 | 86.1 Ų | 86.1 | 69% | 0.691 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 169.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T6 | G4-T6 PolarHBondContact O-N 2.9Š|
| 5 | F | 95.9 | Very high | 86.8 | Confident | 68 Ų | 68 | 80.7 Ų | 80.7 | 30% | 0.298 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 135.3 | 175.4 | -168.1 | -84.8 | 0 | 0 | 0 | 111 | G7 C168 C170 C171 S212 | F5-G7 PolarHBondContact O-N 3.44Å; F5-G7 VanDerWaalsContact O-N 3.1Å; F5-C168 WeakPolarHBondContact CE1-O 3.04Å; F5-C168 WeakPolarHBondContact CZ-O 3.34Å; F5-C170 WeakPolarHBondContact CZ-O 3.32Å; F5-C171 HydrophobicContact CB-CB 4.04Å; F5-C171 HydrophobicContact CD1-CB 3.58Å; F5-C171 HydrophobicContact CD2-CB 3.85Å; F5-C171 HydrophobicContact CE1-CB 3.96Å; F5-C171 HydrophobicContact CE2-CB 4.2Å; F5-C171 HydrophobicContact CG-CB 3.53Å; F5-C171 HydrophobicContact CZ-CB 4.26Å; F5-S212 VanDerWaalsContact CD2-CB 3.41Å |
| 6 | T | 95.8 | Very high | 87.6 | Confident | 19 Ų | 19 | 80.5 Ų | 80.5 | 12% | 0.117 | 45% | 0.453 | C | S | . | . | trans | -70.6 | 103.4 | 179.9 | 53.2 | 0 | 0 | 0 | 0 | 111.5 | G4 E10 F211 S212 | G4-T6 PolarHBondContact O-N 2.9Å; T6-E10 HydrophobicContact CG2-CG 3.89Å; T6-F211 HydrophobicContact CG2-CD1 4.44Å; T6-S212 PolarHBondContact N-OG 3.28Å; T6-S212 PolarHBondContact OG1-N 2.9Å | ||
| 7 | G | 95.3 | Very high | 88.2 | Confident | 40 Ų | 40 | 76.2 Ų | 76.2 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | trans | -83.9 | -176.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | F5 D9 E10 Y11 | F5-G7 PolarHBondContact O-N 3.44Å; F5-G7 VanDerWaalsContact O-N 3.1Å; G7-D9 VanDerWaalsContact C-N 3.32Å; G7-D9 PolarHBondContact O-N 2.87Å; G7-E10 WeakPolarHBondContact O-CB 2.92Å; G7-E10 PolarHBondContact O-N 3.31Å; G7-Y11 PolarHBondContact O-N 3.1Å | ||
| 8 | G | 96.9 | Very high | 88.8 | Confident | 28 Ų | 28 | 76.7 Ų | 76.7 | 29% | 0.289 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -55.1 | -38.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E10 Y11 Q12 F86 | G8-E10 VanDerWaalsContact C-N 3.26Å; G8-E10 PolarHBondContact O-N 2.98Å; G8-Y11 WeakPolarHBondContact O-CB 3.36Å; G8-Y11 PolarHBondContact O-N 2.69Å; G8-Y11 VanDerWaalsContact O-N 3.16Å; G8-Q12 PolarHBondContact O-N 2.79Å; G8-F86 VanDerWaalsContact CA-CE1 3.43Å; G8-F86 WeakPolarHBondContact O-CE1 3.49Å |
| 9 | D | 97.9 | Very high | 89.3 | Confident | 142 Ų | 142 | 76.2 Ų | 76.2 | 76% | 0.759 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.9 | -35.1 | 178.3 | -72.5 | -9.3 | 0 | 0 | 0 | 112.5 | G7 Q12 K13 | G7-D9 VanDerWaalsContact C-N 3.32Å; G7-D9 PolarHBondContact O-N 2.87Å; D9-Q12 PolarHBondContact O-N 3.45Å; D9-K13 VanDerWaalsContact O-CB 3.23Å; D9-K13 WeakPolarHBondContact O-CB 3.42Å; D9-K13 PolarHBondContact O-N 2.8Å |
| 10 | E | 98 | Very high | 89.8 | Confident | 53 Ų | 53 | 73.8 Ų | 73.8 | 25% | 0.248 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 176.4 | -172.3 | 62.7 | -154 | 0 | 0 | 110.3 | T6 G7 G8 K13 H14 R209 F211 | T6-E10 HydrophobicContact CG2-CG 3.89Å; G7-E10 WeakPolarHBondContact O-CB 2.92Å; G7-E10 PolarHBondContact O-N 3.31Å; G8-E10 VanDerWaalsContact C-N 3.26Å; G8-E10 PolarHBondContact O-N 2.98Å; E10-K13 PolarHBondContact O-N 2.89Å; E10-H14 WeakPolarHBondContact O-CA 3.3Å; E10-H14 VanDerWaalsContact O-CB 3.26Å; E10-H14 WeakPolarHBondContact O-CB 3.31Å; E10-H14 PolarHBondContact O-N 3.17Å; E10-H14 WeakPolarHBondContact OE1-CB 3.35Å; E10-H14 IonicContact OE1-CD2 3.41Å; E10-H14 PolarHBondContact OE1-CD2 3.07Å; E10-H14 IonicContact OE1-CG 3.99Å; E10-H14 IonicContact OE1-NE2 3.3Å; E10-H14 IonicContact OE2-CD2 3.72Å; E10-H14 PolarHBondContact OE2-CD2 2.95Å; E10-H14 VanDerWaalsContact OE2-CD2 3.3Å; E10-R209 IonicContact OE1-CZ 2.66Å; E10-R209 IonicContact OE1-NH1 3.02Å; E10-R209 PolarHBondContact OE1-NH1 3.47Å; E10-F211 HydrophobicContact CG-CE1 4.08Å |
| 11 | Y | 98.5 | Very high | 90.2 | Very high | 26 Ų | 26 | 70.2 Ų | 70.2 | 10% | 0.102 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59 | -50.7 | 173.6 | -83.2 | -90.5 | 0 | 0 | 0 | 111.8 | G7 G8 K13 H14 F15 C168 Y204 F211 | G7-Y11 PolarHBondContact O-N 3.1Å; G8-Y11 WeakPolarHBondContact O-CB 3.36Å; G8-Y11 PolarHBondContact O-N 2.69Å; G8-Y11 VanDerWaalsContact O-N 3.16Å; Y11-K13 VanDerWaalsContact C-N 3.29Å; Y11-K13 PolarHBondContact O-N 3.34Å; Y11-H14 PolarHBondContact O-N 3.01Å; Y11-F15 HydrophobicContact CD1-CB 4.1Å; Y11-F15 AromaticContact CD1-CD2 3.7Å; Y11-F15 HydrophobicContact CD1-CD2 3.7Å; Y11-F15 HydrophobicContact CD1-CE2 4.47Å; Y11-F15 HydrophobicContact CD1-CG 4.13Å; Y11-F15 AromaticContact CE1-CD2 3.71Å; Y11-F15 HydrophobicContact CE1-CD2 3.71Å; Y11-F15 HydrophobicContact CE1-CE2 4.14Å; Y11-F15 WeakPolarHBondContact O-CB 3.41Å; Y11-F15 PolarHBondContact O-N 3.05Å; Y11-C168 WeakPolarHBondContact OH-CB 3.48Å; Y11-Y204 WeakPolarHBondContact CE1-OH 3.36Å; Y11-Y204 WeakPolarHBondContact OH-CE1 3.4Å; Y11-Y204 PolarHBondContact OH-OH 3Å; Y11-F211 HydrophobicContact CD1-CD1 4.29Å; Y11-F211 HydrophobicContact CD1-CE1 4.11Å; Y11-F211 HydrophobicContact CD2-CD1 4.16Å; Y11-F211 HydrophobicContact CD2-CE1 4.23Å; Y11-F211 AromaticContact CE1-CD1 3.88Å; Y11-F211 HydrophobicContact CE1-CD1 3.88Å; Y11-F211 HydrophobicContact CE1-CE1 4.13Å; Y11-F211 AromaticContact CE2-CD1 3.74Å; Y11-F211 HydrophobicContact CE2-CD1 3.74Å; Y11-F211 HydrophobicContact CE2-CE1 4.27Å; Y11-F211 HydrophobicContact CG-CD1 4.41Å; Y11-F211 HydrophobicContact CG-CE1 4.14Å; Y11-F211 AromaticContact CZ-CD1 3.56Å |
| 12 | Q | 98.4 | Very high | 93 | Very high | 46 Ų | 46 | 61.7 Ų | 61.7 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.8 | -36 | -178.6 | -73.7 | -71.5 | 40.1 | 0 | 0 | 113 | G8 D9 F86 D88 R89 K140 | G8-Q12 PolarHBondContact O-N 2.79Å; D9-Q12 PolarHBondContact O-N 3.45Å; Q12-F86 HydrophobicContact CG-CD1 4.23Å; Q12-F86 HydrophobicContact CG-CE1 3.66Å; Q12-F86 PolarHBondContact NE2-O 3.49Å; Q12-D88 PolarHBondContact NE2-OD1 3.47Å; Q12-D88 PolarHBondContact NE2-OD2 2.86Å; Q12-R89 PolarHBondContact O-NH1 3.03Å; Q12-K140 VanDerWaalsContact NE2-NZ 3.1Å |
| 13 | K | 98.1 | Very high | 95.5 | Very high | 144 Ų | 144 | 52.6 Ų | 52.6 | 63% | 0.626 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -83.4 | -34.4 | -177.7 | -169.5 | 174 | 171.3 | -170 | 0 | 112.7 | D9 E10 Y11 | D9-K13 VanDerWaalsContact O-CB 3.23Å; D9-K13 WeakPolarHBondContact O-CB 3.42Å; D9-K13 PolarHBondContact O-N 2.8Å; E10-K13 PolarHBondContact O-N 2.89Å; Y11-K13 VanDerWaalsContact C-N 3.29Å; Y11-K13 PolarHBondContact O-N 3.34Å |
| 14 | H | 98.3 | Very high | 97.2 | Very high | 45 Ų | 45 | 49.6 Ų | 49.6 | 21% | 0.208 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -130.2 | -11 | -160.6 | -64.3 | -65 | 0 | 0 | 0 | 116 | E10 Y11 L16 | E10-H14 WeakPolarHBondContact O-CA 3.3Å; E10-H14 VanDerWaalsContact O-CB 3.26Å; E10-H14 WeakPolarHBondContact O-CB 3.31Å; E10-H14 PolarHBondContact O-N 3.17Å; E10-H14 WeakPolarHBondContact OE1-CB 3.35Å; E10-H14 IonicContact OE1-CD2 3.41Å; E10-H14 PolarHBondContact OE1-CD2 3.07Å; E10-H14 IonicContact OE1-CG 3.99Å; E10-H14 IonicContact OE1-NE2 3.3Å; E10-H14 IonicContact OE2-CD2 3.72Å; E10-H14 PolarHBondContact OE2-CD2 2.95Å; E10-H14 VanDerWaalsContact OE2-CD2 3.3Å; Y11-H14 PolarHBondContact O-N 3.01Å; H14-L16 PolarHBondContact O-N 3.07Å |
| 15 | F | 98.7 | Very high | 97.7 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 2% | 0.022 | 25% | 0.25 | C | S | . | . | trans | -72.3 | 120.3 | 173 | -167.3 | -80.7 | 0 | 0 | 0 | 109.6 | Y11 Y20 T87 N90 Y204 V206 F211 | Y11-F15 HydrophobicContact CD1-CB 4.1Å; Y11-F15 AromaticContact CD1-CD2 3.7Å; Y11-F15 HydrophobicContact CD1-CD2 3.7Å; Y11-F15 HydrophobicContact CD1-CE2 4.47Å; Y11-F15 HydrophobicContact CD1-CG 4.13Å; Y11-F15 AromaticContact CE1-CD2 3.71Å; Y11-F15 HydrophobicContact CE1-CD2 3.71Å; Y11-F15 HydrophobicContact CE1-CE2 4.14Å; Y11-F15 WeakPolarHBondContact O-CB 3.41Å; Y11-F15 PolarHBondContact O-N 3.05Å; F15-Y20 HydrophobicContact CE1-CD1 4.5Å; F15-Y20 HydrophobicContact CE1-CG 4.13Å; F15-Y20 HydrophobicContact CE2-CD2 4.19Å; F15-Y20 HydrophobicContact CE2-CG 4.42Å; F15-Y20 HydrophobicContact CZ-CD1 4.03Å; F15-Y20 AromaticContact CZ-CD2 3.68Å; F15-Y20 HydrophobicContact CZ-CD2 3.68Å; F15-Y20 HydrophobicContact CZ-CE2 4.32Å; F15-Y20 AromaticContact CZ-CG 3.51Å; F15-Y20 HydrophobicContact CZ-CG 3.51Å; F15-T87 HydrophobicContact CB-CG2 4.1Å; F15-T87 HydrophobicContact CD1-CG2 4.41Å; F15-N90 WeakPolarHBondContact CD1-OD1 3.36Å; F15-N90 WeakPolarHBondContact CE1-ND2 3.48Å; F15-N90 WeakPolarHBondContact CE1-OD1 3.37Å; F15-Y204 HydrophobicContact CE2-CE2 4.38Å; F15-V206 HydrophobicContact CD2-CG2 3.95Å; F15-V206 HydrophobicContact CE2-CG1 4.47Å; F15-V206 HydrophobicContact CE2-CG2 3.57Å; F15-V206 HydrophobicContact CZ-CG2 4.26Å; F15-F211 HydrophobicContact CB-CE1 4.33Å; F15-F211 HydrophobicContact CB-CZ 3.92Å; F15-F211 HydrophobicContact CD2-CE1 4.25Å; F15-F211 HydrophobicContact CD2-CE2 4.14Å; F15-F211 AromaticContact CD2-CZ 3.96Å; F15-F211 HydrophobicContact CD2-CZ 3.96Å; F15-F211 HydrophobicContact CG-CZ 4.4Å | ||
| 16 | L | 98.8 | Very high | 97.4 | Very high | 78 Ų | 78 | 45.9 Ų | 45.9 | 41% | 0.408 | 25% | 0.253 | S | S | . | . | trans | -109 | 107.9 | 179.6 | -63.9 | -175.8 | 0 | 0 | 0 | 109.3 | H14 R18 D19 Y20 | H14-L16 PolarHBondContact O-N 3.07Å; L16-R18 VanDerWaalsContact C-N 3.29Å; L16-R18 PolarHBondContact O-N 2.73Å; L16-D19 HydrophobicContact CB-CB 4.07Å; L16-D19 PolarHBondContact O-N 2.78Å; L16-D19 VanDerWaalsContact O-N 3.17Å; L16-Y20 PolarHBondContact O-N 3.22Å; L16-Y20 VanDerWaalsContact O-N 3.08Å | ||
| 17 | P | 98.7 | Very high | 96.6 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.1 | -40.4 | -175.4 | -28.1 | 32.2 | 0 | 0 | 0 | 114.4 | Y20 L21 P66 R89 N90 E93 | P17-Y20 WeakPolarHBondContact O-CB 3.26Å; P17-Y20 PolarHBondContact O-N 3.19Å; P17-L21 VanDerWaalsContact O-CG 3.24Å; P17-L21 WeakPolarHBondContact O-CG 3.44Å; P17-L21 PolarHBondContact O-N 3.5Å; P17-P66 HydrophobicContact CB-CB 3.83Å; P17-P66 HydrophobicContact CB-CG 4Å; P17-R89 HydrophobicContact CG-CB 3.59Å; P17-R89 WeakPolarHBondContact CG-O 3.1Å; P17-N90 WeakPolarHBondContact CG-OD1 3.48Å; P17-E93 HydrophobicContact CB-CB 4.2Å; P17-E93 HydrophobicContact CB-CG 3.37Å; P17-E93 HydrophobicContact CG-CG 3.8Å |
| 18 | R | 98.4 | Very high | 96 | Very high | 85 Ų | 85 | 50.8 Ų | 50.8 | 32% | 0.321 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.9 | -34 | -177.5 | -72 | -71.6 | 167 | 154 | -3.6 | 112.7 | L16 Y20 A22 E93 G103 Y105 | L16-R18 VanDerWaalsContact C-N 3.29Å; L16-R18 PolarHBondContact O-N 2.73Å; R18-Y20 VanDerWaalsContact C-N 3.33Å; R18-A22 VanDerWaalsContact O-CB 3.26Å; R18-A22 WeakPolarHBondContact O-CB 3.37Å; R18-A22 PolarHBondContact O-N 2.68Å; R18-E93 IonicContact CZ-OE2 2.64Å; R18-E93 IonicContact NE-OE1 2.71Å; R18-E93 IonicContact NE-OE2 3.21Å; R18-E93 PolarHBondContact NE-OE2 3.5Å; R18-E93 IonicContact NH2-OE2 3.14Å; R18-E93 PolarHBondContact NH2-OE2 3.34Å; R18-G103 PolarHBondContact NH1-O 2.88Å; R18-G103 VanDerWaalsContact NH1-O 3.11Å; R18-G103 PolarHBondContact NH2-O 3.01Å; R18-Y105 VanDerWaalsContact NH2-N 3.19Å |
| 19 | D | 98.5 | Very high | 95.1 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.6 | -38 | 173.2 | -69.7 | 6 | 0 | 0 | 0 | 110.2 | L16 A22 T23 V206 | L16-D19 HydrophobicContact CB-CB 4.07Å; L16-D19 PolarHBondContact O-N 2.78Å; L16-D19 VanDerWaalsContact O-N 3.17Å; D19-A22 PolarHBondContact O-N 2.95Å; D19-T23 WeakPolarHBondContact O-CB 3.28Å; D19-T23 PolarHBondContact O-N 2.81Å; D19-T23 PolarHBondContact O-OG1 2.8Å; D19-V206 HydrophobicContact CB-CG1 3.99Å |
| 20 | Y | 98.8 | Very high | 94.5 | Very high | 27 Ų | 27 | 49 Ų | 49 | 11% | 0.106 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -49.6 | 174.6 | 179.7 | -108 | 0 | 0 | 0 | 111.6 | F15 L16 P17 R18 A22 T23 Y24 Y25 P66 T67 Y204 V206 | F15-Y20 HydrophobicContact CE1-CD1 4.5Å; F15-Y20 HydrophobicContact CE1-CG 4.13Å; F15-Y20 HydrophobicContact CE2-CD2 4.19Å; F15-Y20 HydrophobicContact CE2-CG 4.42Å; F15-Y20 HydrophobicContact CZ-CD1 4.03Å; F15-Y20 AromaticContact CZ-CD2 3.68Å; F15-Y20 HydrophobicContact CZ-CD2 3.68Å; F15-Y20 HydrophobicContact CZ-CE2 4.32Å; F15-Y20 AromaticContact CZ-CG 3.51Å; F15-Y20 HydrophobicContact CZ-CG 3.51Å; L16-Y20 PolarHBondContact O-N 3.22Å; L16-Y20 VanDerWaalsContact O-N 3.08Å; P17-Y20 WeakPolarHBondContact O-CB 3.26Å; P17-Y20 PolarHBondContact O-N 3.19Å; R18-Y20 VanDerWaalsContact C-N 3.33Å; Y20-A22 VanDerWaalsContact C-N 3.34Å; Y20-A22 PolarHBondContact O-N 2.87Å; Y20-T23 PolarHBondContact O-N 2.86Å; Y20-T23 VanDerWaalsContact O-N 3.11Å; Y20-Y24 AromaticContact CD2-CD2 3.36Å; Y20-Y24 HydrophobicContact CD2-CD2 3.36Å; Y20-Y24 AromaticContact CD2-CE2 3.6Å; Y20-Y24 HydrophobicContact CD2-CE2 3.6Å; Y20-Y24 AromaticContact CE2-CD2 3.32Å; Y20-Y24 HydrophobicContact CE2-CD2 3.32Å; Y20-Y24 AromaticContact CE2-CE2 3.59Å; Y20-Y24 HydrophobicContact CE2-CE2 3.59Å; Y20-Y24 HydrophobicContact CE2-CG 4.23Å; Y20-Y24 HydrophobicContact CG-CD2 4.18Å; Y20-Y24 WeakPolarHBondContact O-CD2 3.5Å; Y20-Y24 PolarHBondContact O-N 2.94Å; Y20-Y25 HydrophobicContact CD1-CD2 4.47Å; Y20-Y25 HydrophobicContact CD1-CE2 4.2Å; Y20-Y25 HydrophobicContact CE1-CD2 4.17Å; Y20-Y25 AromaticContact CE1-CE2 3.48Å; Y20-Y25 HydrophobicContact CE1-CE2 3.48Å; Y20-Y25 VanDerWaalsContact CE1-CE2 3.48Å; Y20-Y25 AromaticContact CZ-CE2 3.77Å; Y20-P66 HydrophobicContact CD1-CG 3.69Å; Y20-P66 HydrophobicContact CE1-CG 4.33Å; Y20-T67 HydrophobicContact CE1-CG2 3.89Å; Y20-Y204 HydrophobicContact CD2-CE2 4.39Å; Y20-Y204 HydrophobicContact CE2-CE2 4.17Å; Y20-V206 HydrophobicContact CD2-CG2 4.12Å |
| 21 | L | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 176.8 | -67.2 | 168.9 | 0 | 0 | 0 | 111.9 | P17 T23 Y25 S26 P66 T67 Y105 W107 | P17-L21 VanDerWaalsContact O-CG 3.24Å; P17-L21 WeakPolarHBondContact O-CG 3.44Å; P17-L21 PolarHBondContact O-N 3.5Å; L21-T23 VanDerWaalsContact C-N 3.31Å; L21-T23 PolarHBondContact O-N 3.33Å; L21-Y25 HydrophobicContact CD2-CD2 4.05Å; L21-Y25 HydrophobicContact CD2-CG 4.48Å; L21-Y25 CarbonylContact O-C 3.56Å; L21-Y25 VanDerWaalsContact O-CA 3.23Å; L21-Y25 WeakPolarHBondContact O-CA 3.42Å; L21-Y25 WeakPolarHBondContact O-CB 3.45Å; L21-Y25 PolarHBondContact O-N 2.95Å; L21-S26 PolarHBondContact O-N 2.91Å; L21-P66 HydrophobicContact CD1-CB 4.22Å; L21-P66 HydrophobicContact CD1-CG 4.29Å; L21-P66 HydrophobicContact CD2-CG 4.09Å; L21-P66 HydrophobicContact CG-CB 4.44Å; L21-P66 HydrophobicContact CG-CG 3.98Å; L21-T67 HydrophobicContact CD2-CG2 4.04Å; L21-Y105 HydrophobicContact CB-CD2 4.01Å; L21-Y105 HydrophobicContact CB-CE1 4.28Å; L21-Y105 HydrophobicContact CB-CE2 3.66Å; L21-Y105 HydrophobicContact CB-CG 4.48Å; L21-Y105 HydrophobicContact CD1-CD1 4.27Å; L21-Y105 HydrophobicContact CD1-CD2 3.7Å; L21-Y105 HydrophobicContact CD1-CE2 4.24Å; L21-Y105 HydrophobicContact CD1-CG 3.72Å; L21-Y105 HydrophobicContact CD2-CD1 4.25Å; L21-Y105 HydrophobicContact CD2-CE1 4.32Å; L21-Y105 HydrophobicContact CG-CD2 4.38Å; L21-Y105 HydrophobicContact CG-CE2 4.48Å; L21-Y105 HydrophobicContact CG-CG 4.46Å; L21-Y105 PolarHBondContact O-OH 3.47Å; L21-W107 HydrophobicContact CD2-CH2 3.97Å; L21-W107 HydrophobicContact CD2-CZ2 3.51Å |
| 22 | A | 96.7 | Very high | 93.9 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 50% | 0.496 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.1 | -30.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R18 D19 Y20 S26 | R18-A22 VanDerWaalsContact O-CB 3.26Å; R18-A22 WeakPolarHBondContact O-CB 3.37Å; R18-A22 PolarHBondContact O-N 2.68Å; D19-A22 PolarHBondContact O-N 2.95Å; Y20-A22 VanDerWaalsContact C-N 3.34Å; Y20-A22 PolarHBondContact O-N 2.87Å; A22-S26 WeakPolarHBondContact O-CB 3.38Å |
| 23 | T | 96.6 | Very high | 93.8 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 15% | 0.153 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -76.4 | -44.3 | 179.8 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | D19 Y20 L21 G207 N246 | D19-T23 WeakPolarHBondContact O-CB 3.28Å; D19-T23 PolarHBondContact O-N 2.81Å; D19-T23 PolarHBondContact O-OG1 2.8Å; Y20-T23 PolarHBondContact O-N 2.86Å; Y20-T23 VanDerWaalsContact O-N 3.11Å; L21-T23 VanDerWaalsContact C-N 3.31Å; L21-T23 PolarHBondContact O-N 3.33Å; T23-G207 PolarHBondContact OG1-N 2.86Å; T23-G207 VanDerWaalsContact OG1-N 3.15Å; T23-N246 HydrophobicContact CG2-CB 4.25Å |
| 24 | Y | 98 | Very high | 93.7 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 4% | 0.035 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -113.1 | -18.2 | -167.6 | -64 | -73.1 | 0 | 0 | 0 | 115.1 | Y20 E34 Y204 M205 Y242 N246 | Y20-Y24 AromaticContact CD2-CD2 3.36Å; Y20-Y24 HydrophobicContact CD2-CD2 3.36Å; Y20-Y24 AromaticContact CD2-CE2 3.6Å; Y20-Y24 HydrophobicContact CD2-CE2 3.6Å; Y20-Y24 AromaticContact CE2-CD2 3.32Å; Y20-Y24 HydrophobicContact CE2-CD2 3.32Å; Y20-Y24 AromaticContact CE2-CE2 3.59Å; Y20-Y24 HydrophobicContact CE2-CE2 3.59Å; Y20-Y24 HydrophobicContact CE2-CG 4.23Å; Y20-Y24 HydrophobicContact CG-CD2 4.18Å; Y20-Y24 WeakPolarHBondContact O-CD2 3.5Å; Y20-Y24 PolarHBondContact O-N 2.94Å; Y24-E34 HydrophobicContact CD1-CG 4.14Å; Y24-Y204 HydrophobicContact CE2-CD2 4.09Å; Y24-Y204 WeakPolarHBondContact OH-CD2 3.43Å; Y24-M205 WeakPolarHBondContact CE2-O 3.2Å; Y24-M205 PolarHBondContact OH-N 2.79Å; Y24-M205 PolarHBondContact OH-O 2.85Å; Y24-Y242 AromaticContact CD1-CD1 3.93Å; Y24-Y242 HydrophobicContact CD1-CD1 3.93Å; Y24-Y242 AromaticContact CD1-CE1 3.64Å; Y24-Y242 HydrophobicContact CD1-CE1 3.64Å; Y24-Y242 HydrophobicContact CE1-CD1 4.07Å; Y24-Y242 HydrophobicContact CE1-CE1 4.09Å; Y24-Y242 HydrophobicContact CE1-CG 4.39Å; Y24-N246 HydrophobicContact CE1-CB 4.18Å; Y24-N246 PolarHBondContact OH-O 2.96Å |
| 25 | Y | 97.1 | Very high | 93.6 | Very high | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.027 | 29% | 0.285 | C | S | . | . | trans | -135.7 | 29.6 | -170.1 | -54.8 | -77.7 | 0 | 0 | 0 | 111.4 | Y20 L21 F27 L38 T67 Y69 Y105 W107 | Y20-Y25 HydrophobicContact CD1-CD2 4.47Å; Y20-Y25 HydrophobicContact CD1-CE2 4.2Å; Y20-Y25 HydrophobicContact CE1-CD2 4.17Å; Y20-Y25 AromaticContact CE1-CE2 3.48Å; Y20-Y25 HydrophobicContact CE1-CE2 3.48Å; Y20-Y25 VanDerWaalsContact CE1-CE2 3.48Å; Y20-Y25 AromaticContact CZ-CE2 3.77Å; L21-Y25 HydrophobicContact CD2-CD2 4.05Å; L21-Y25 HydrophobicContact CD2-CG 4.48Å; L21-Y25 CarbonylContact O-C 3.56Å; L21-Y25 VanDerWaalsContact O-CA 3.23Å; L21-Y25 WeakPolarHBondContact O-CA 3.42Å; L21-Y25 WeakPolarHBondContact O-CB 3.45Å; L21-Y25 PolarHBondContact O-N 2.95Å; Y25-F27 WeakPolarHBondContact O-CD2 3.49Å; Y25-F27 WeakPolarHBondContact O-CE2 3.3Å; Y25-F27 PolarHBondContact O-N 3.11Å; Y25-L38 HydrophobicContact CD1-CD1 4.25Å; Y25-L38 HydrophobicContact CD1-CD2 4.18Å; Y25-L38 HydrophobicContact CE1-CD1 4.02Å; Y25-T67 HydrophobicContact CD2-CG2 4.06Å; Y25-T67 HydrophobicContact CE2-CG2 3.68Å; Y25-Y69 HydrophobicContact CD1-CD1 4.4Å; Y25-Y69 AromaticContact CE1-CD1 3.74Å; Y25-Y69 HydrophobicContact CE1-CD1 3.74Å; Y25-Y69 AromaticContact CE1-CE1 3.58Å; Y25-Y69 HydrophobicContact CE1-CE1 3.58Å; Y25-Y69 AromaticContact CZ-CE1 3.68Å; Y25-Y69 WeakPolarHBondContact OH-CE1 3.34Å; Y25-Y105 VanDerWaalsContact C-OH 3.27Å; Y25-Y105 WeakPolarHBondContact O-CE1 3.16Å; Y25-Y105 PolarHBondContact O-OH 3.1Å; Y25-W107 AromaticContact CD1-CH2 3.99Å; Y25-W107 HydrophobicContact CD1-CH2 3.99Å; Y25-W107 HydrophobicContact CD1-CZ3 4.05Å; Y25-W107 HydrophobicContact CD2-CH2 4.4Å; Y25-W107 AromaticContact CG-CH2 3.9Å; Y25-W107 HydrophobicContact CG-CH2 3.9Å; Y25-W107 HydrophobicContact CG-CZ3 4.29Å | ||
| 26 | S | 89.2 | Confident | 93.5 | Very high | 50 Ų | 50 | 49 Ų | 49 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | trans | -61.7 | -25.3 | -173.3 | 64.1 | 0 | 0 | 0 | 0 | 114.3 | L21 A22 D28 Y105 | L21-S26 PolarHBondContact O-N 2.91Å; A22-S26 WeakPolarHBondContact O-CB 3.38Å; S26-D28 PolarHBondContact O-N 3.46Å; S26-Y105 WeakPolarHBondContact CA-OH 3.42Å | ||
| 27 | F | 80.2 | Confident | 93.5 | Very high | 55 Ų | 55 | 45.3 Ų | 45.3 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | trans | 48.8 | 37.9 | -176.4 | -57.7 | -67 | 0 | 0 | 0 | 114.1 | Y25 G29 L38 Y105 W107 P109 A110 | Y25-F27 WeakPolarHBondContact O-CD2 3.49Å; Y25-F27 WeakPolarHBondContact O-CE2 3.3Å; Y25-F27 PolarHBondContact O-N 3.11Å; F27-G29 PolarHBondContact O-N 3.04Å; F27-L38 HydrophobicContact CD1-CD2 4.3Å; F27-L38 HydrophobicContact CE1-CD2 3.17Å; F27-L38 HydrophobicContact CZ-CD2 3.45Å; F27-L38 VanDerWaalsContact CZ-CD2 3.45Å; F27-Y105 HydrophobicContact CD2-CE1 4.08Å; F27-Y105 AromaticContact CE2-CE1 4Å; F27-Y105 HydrophobicContact CE2-CE1 4Å; F27-W107 AromaticContact CE2-CE3 3.82Å; F27-W107 HydrophobicContact CE2-CE3 3.82Å; F27-W107 AromaticContact CE2-CZ3 3.95Å; F27-W107 HydrophobicContact CE2-CZ3 3.95Å; F27-W107 AromaticContact CZ-CE3 3.93Å; F27-W107 HydrophobicContact CZ-CE3 3.93Å; F27-W107 AromaticContact CZ-CZ3 3.88Å; F27-W107 HydrophobicContact CZ-CZ3 3.88Å; F27-P109 HydrophobicContact CB-CB 3.8Å; F27-P109 HydrophobicContact CB-CG 3.66Å; F27-P109 HydrophobicContact CD1-CB 3.63Å; F27-P109 HydrophobicContact CD1-CG 4.32Å; F27-P109 HydrophobicContact CD2-CB 4.46Å; F27-P109 HydrophobicContact CD2-CG 4.39Å; F27-P109 HydrophobicContact CE1-CB 4.31Å; F27-P109 HydrophobicContact CG-CB 3.73Å; F27-P109 HydrophobicContact CG-CG 3.9Å; F27-A110 HydrophobicContact CE1-CB 3.83Å; F27-A110 HydrophobicContact CE2-CB 4.38Å; F27-A110 HydrophobicContact CZ-CB 3.55Å | ||
| 28 | D | 81.9 | Confident | 93.4 | Very high | 106 Ų | 106 | 45.5 Ų | 45.5 | 57% | 0.567 | 28% | 0.28 | S | S | * | . | trans | -70.6 | 2 | -178 | 64 | 18.4 | 0 | 0 | 0 | 114.4 | S26 S30 | S26-D28 PolarHBondContact O-N 3.46Å; D28-S30 VanDerWaalsContact CG-OG 3.28Å; D28-S30 PolarHBondContact O-N 2.84Å; D28-S30 VanDerWaalsContact OD1-CB 3.26Å; D28-S30 WeakPolarHBondContact OD1-CB 3.49Å; D28-S30 PolarHBondContact OD1-N 3.45Å; D28-S30 PolarHBondContact OD1-OG 2.72Å; D28-S30 PolarHBondContact OD2-OG 2.81Å | ||
| 29 | G | 77.6 | Confident | 93.4 | Very high | 77 Ų | 77 | 45 Ų | 45 | 79% | 0.794 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 75.2 | -1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | F27 | F27-G29 PolarHBondContact O-N 3.04Š|
| 30 | S | 84.7 | Confident | 93.4 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 39% | 0.392 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -84.2 | 143.5 | 176.3 | 76.3 | 0 | 0 | 0 | 0 | 111.1 | D28 S32 | D28-S30 VanDerWaalsContact CG-OG 3.28Å; D28-S30 PolarHBondContact O-N 2.84Å; D28-S30 VanDerWaalsContact OD1-CB 3.26Å; D28-S30 WeakPolarHBondContact OD1-CB 3.49Å; D28-S30 PolarHBondContact OD1-N 3.45Å; D28-S30 PolarHBondContact OD1-OG 2.72Å; D28-S30 PolarHBondContact OD2-OG 2.81Å; S30-S32 PolarHBondContact O-N 2.85Å |
| 31 | P | 89.1 | Confident | 93.3 | Very high | 127 Ų | 127 | 41.6 Ų | 41.6 | 83% | 0.825 | 26% | 0.263 | S | S | * | . | trans | -62.3 | 117.3 | 167.3 | -20.2 | 32.4 | 0 | 0 | 0 | 109.7 | ||||
| 32 | S | 95.3 | Very high | 93.4 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 16% | 0.161 | 27% | 0.265 | C | S | . | . | trans | -139.1 | 152.4 | 179.1 | 69 | 0 | 0 | 0 | 0 | 111.3 | S30 E34 A35 E36 | S30-S32 PolarHBondContact O-N 2.85Å; S32-E34 PolarHBondContact O-N 2.92Å; S32-A35 PolarHBondContact O-N 2.98Å; S32-A35 VanDerWaalsContact O-N 3.12Å; S32-A35 WeakPolarHBondContact OG-CB 3.47Å; S32-A35 PolarHBondContact OG-N 3.11Å; S32-A35 VanDerWaalsContact OG-N 3.11Å; S32-E36 PolarHBondContact O-N 3.19Å | ||
| 33 | P | 96.3 | Very high | 93.4 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 34% | 0.344 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.1 | -35.5 | 174.7 | -24 | 33.8 | 0 | 0 | 0 | 113 | E36 M37 S241 | P33-E36 PolarHBondContact O-N 3.13Å; P33-M37 PolarHBondContact O-N 3.43Å; P33-S241 VanDerWaalsContact CB-O 3.32Å; P33-S241 WeakPolarHBondContact CB-O 3.45Å |
| 34 | E | 97.4 | Very high | 93.5 | Very high | 18 Ų | 18 | 41.8 Ų | 41.8 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 175.1 | -69.5 | 65.2 | -149.7 | 0 | 0 | 111.9 | Y24 S32 M37 L38 Y242 S243 N246 | Y24-E34 HydrophobicContact CD1-CG 4.14Å; S32-E34 PolarHBondContact O-N 2.92Å; E34-M37 PolarHBondContact O-N 2.8Å; E34-L38 PolarHBondContact O-N 2.84Å; E34-Y242 HydrophobicContact CB-CD1 4.37Å; E34-Y242 HydrophobicContact CG-CD1 3.87Å; E34-Y242 HydrophobicContact CG-CE1 4.37Å; E34-S243 VanDerWaalsContact OE1-CB 3.22Å; E34-S243 WeakPolarHBondContact OE1-CB 3.34Å; E34-S243 PolarHBondContact OE1-N 2.83Å; E34-N246 PolarHBondContact OE1-ND2 3.39Å |
| 35 | A | 96.1 | Very high | 93.6 | Very high | 30 Ų | 30 | 41.4 Ų | 41.4 | 25% | 0.248 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S32 M37 L38 K39 | S32-A35 PolarHBondContact O-N 2.98Å; S32-A35 VanDerWaalsContact O-N 3.12Å; S32-A35 WeakPolarHBondContact OG-CB 3.47Å; S32-A35 PolarHBondContact OG-N 3.11Å; S32-A35 VanDerWaalsContact OG-N 3.11Å; A35-M37 VanDerWaalsContact C-N 3.34Å; A35-L38 PolarHBondContact O-N 3.22Å; A35-K39 WeakPolarHBondContact O-CG 3.49Å; A35-K39 PolarHBondContact O-N 2.9Å |
| 36 | E | 96.8 | Very high | 93.6 | Very high | 68 Ų | 68 | 43.1 Ų | 43.1 | 32% | 0.318 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.4 | -35.8 | 176.3 | -64.3 | -52.2 | 123.5 | 0 | 0 | 112.2 | S32 P33 K39 F40 Q240 | S32-E36 PolarHBondContact O-N 3.19Å; P33-E36 PolarHBondContact O-N 3.13Å; E36-K39 PolarHBondContact O-N 3.43Å; E36-K39 IonicContact OE1-NZ 2.75Å; E36-K39 PolarHBondContact OE1-NZ 3.19Å; E36-K39 IonicContact OE2-NZ 2.78Å; E36-F40 WeakPolarHBondContact O-CB 3.28Å; E36-F40 PolarHBondContact O-N 2.66Å; E36-Q240 HydrophobicContact CB-CG 4.42Å |
| 37 | M | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 172.7 | -172.4 | 63 | 77 | 0 | 0 | 112.3 | P33 E34 A35 F40 N41 Q240 Y242 V252 | P33-M37 PolarHBondContact O-N 3.43Å; E34-M37 PolarHBondContact O-N 2.8Å; A35-M37 VanDerWaalsContact C-N 3.34Å; M37-F40 HydrophobicContact SD-CD1 4.34Å; M37-N41 PolarHBondContact O-N 3.3Å; M37-N41 VanDerWaalsContact O-N 3.15Å; M37-N41 PolarHBondContact O-ND2 3.16Å; M37-Q240 HydrophobicContact CB-CG 4.44Å; M37-Q240 HydrophobicContact CE-CB 4.22Å; M37-Q240 HydrophobicContact CE-CG 3.97Å; M37-Q240 WeakPolarHBondContact CE-O 3.17Å; M37-Q240 HydrophobicContact SD-CG 4.36Å; M37-Y242 HydrophobicContact CB-CD1 4.19Å; M37-Y242 HydrophobicContact CB-CE1 3.66Å; M37-Y242 HydrophobicContact CE-CD2 4.16Å; M37-Y242 HydrophobicContact CE-CE2 4.03Å; M37-Y242 HydrophobicContact CG-CD1 4.42Å; M37-Y242 HydrophobicContact CG-CE1 3.65Å; M37-Y242 HydrophobicContact CG-CE2 3.92Å; M37-Y242 VanDerWaalsContact CG-OH 3.31Å; M37-Y242 WeakPolarHBondContact CG-OH 3.33Å; M37-V252 HydrophobicContact CE-CB 3.98Å; M37-V252 HydrophobicContact CE-CG1 3.97Å; M37-V252 HydrophobicContact SD-CB 3.87Å; M37-V252 HydrophobicContact SD-CG1 3.63Å; M37-V252 HydrophobicContact SD-CG2 3.93Å |
| 38 | L | 97.5 | Very high | 95 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 7% | 0.068 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 174.2 | 173.5 | 63 | 0 | 0 | 0 | 111.6 | Y25 F27 E34 A35 F40 N41 L42 Y69 | Y25-L38 HydrophobicContact CD1-CD1 4.25Å; Y25-L38 HydrophobicContact CD1-CD2 4.18Å; Y25-L38 HydrophobicContact CE1-CD1 4.02Å; F27-L38 HydrophobicContact CD1-CD2 4.3Å; F27-L38 HydrophobicContact CE1-CD2 3.17Å; F27-L38 HydrophobicContact CZ-CD2 3.45Å; F27-L38 VanDerWaalsContact CZ-CD2 3.45Å; E34-L38 PolarHBondContact O-N 2.84Å; A35-L38 PolarHBondContact O-N 3.22Å; L38-F40 VanDerWaalsContact C-N 3.35Å; L38-F40 PolarHBondContact O-N 2.75Å; L38-N41 PolarHBondContact O-N 3.2Å; L38-L42 HydrophobicContact CD1-CD1 3.93Å; L38-L42 HydrophobicContact CD1-CG 4.01Å; L38-L42 HydrophobicContact CD2-CD1 4.48Å; L38-L42 HydrophobicContact CG-CD1 3.91Å; L38-L42 HydrophobicContact CG-CG 4.39Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 2.9Å; L38-Y69 HydrophobicContact CD1-CD1 4.06Å; L38-Y69 HydrophobicContact CD1-CD2 3.41Å; L38-Y69 VanDerWaalsContact CD1-CD2 3.41Å; L38-Y69 HydrophobicContact CD1-CE2 3.92Å; L38-Y69 HydrophobicContact CD1-CG 3.5Å |
| 39 | K | 96.9 | Very high | 95.8 | Very high | 73 Ų | 73 | 39.2 Ų | 39.2 | 32% | 0.317 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.2 | -47 | 176.4 | -72.2 | 175.7 | -174.1 | 168.6 | 0 | 111.4 | A35 E36 N41 L42 E43 F113 | A35-K39 WeakPolarHBondContact O-CG 3.49Å; A35-K39 PolarHBondContact O-N 2.9Å; E36-K39 PolarHBondContact O-N 3.43Å; E36-K39 IonicContact OE1-NZ 2.75Å; E36-K39 PolarHBondContact OE1-NZ 3.19Å; E36-K39 IonicContact OE2-NZ 2.78Å; K39-N41 VanDerWaalsContact C-N 3.29Å; K39-N41 PolarHBondContact O-N 2.66Å; K39-L42 PolarHBondContact O-N 3.2Å; K39-E43 WeakPolarHBondContact O-CB 3.39Å; K39-E43 WeakPolarHBondContact O-CG 3.48Å; K39-E43 PolarHBondContact O-N 3.2Å; K39-F113 HydrophobicContact CB-CE1 4.07Å; K39-F113 HydrophobicContact CB-CZ 4.01Å; K39-F113 HydrophobicContact CD-CE2 4.39Å; K39-F113 HydrophobicContact CD-CZ 4.23Å; K39-F113 HydrophobicContact CG-CE1 3.94Å; K39-F113 HydrophobicContact CG-CE2 4.15Å; K39-F113 HydrophobicContact CG-CZ 3.72Å |
| 40 | F | 98 | Very high | 96.7 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 10% | 0.101 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -53.4 | -47.3 | 175.6 | 168.3 | -98.9 | 0 | 0 | 0 | 111.7 | E36 M37 L38 E43 C44 S238 V252 C254 | E36-F40 WeakPolarHBondContact O-CB 3.28Å; E36-F40 PolarHBondContact O-N 2.66Å; M37-F40 HydrophobicContact SD-CD1 4.34Å; L38-F40 VanDerWaalsContact C-N 3.35Å; L38-F40 PolarHBondContact O-N 2.75Å; F40-E43 PolarHBondContact O-N 2.77Å; F40-C44 VanDerWaalsContact CE2-SG 3.53Å; F40-C44 WeakPolarHBondContact CZ-SG 3.32Å; F40-C44 PolarHBondContact O-N 2.71Å; F40-C44 PolarHBondContact O-SG 3.04Å; F40-S238 VanDerWaalsContact CE2-CB 3.42Å; F40-V252 HydrophobicContact CD1-CG1 3.65Å; F40-V252 HydrophobicContact CD1-CG2 4.39Å; F40-V252 HydrophobicContact CE1-CB 4.3Å; F40-V252 HydrophobicContact CE1-CG1 3.42Å; F40-V252 VanDerWaalsContact CE1-CG1 3.42Å; F40-V252 HydrophobicContact CE1-CG2 3.92Å; F40-V252 HydrophobicContact CG-CG1 4.37Å; F40-V252 HydrophobicContact CZ-CG1 3.96Å; F40-C254 HydrophobicContact CE1-CB 4.37Å; F40-C254 HydrophobicContact CZ-CB 4.3Å |
| 41 | N | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.9 | -46.2 | 177.9 | -78.8 | -67.7 | 0 | 0 | 0 | 112.1 | M37 L38 K39 E43 C44 L45 Y69 L163 T196 | M37-N41 PolarHBondContact O-N 3.3Å; M37-N41 VanDerWaalsContact O-N 3.15Å; M37-N41 PolarHBondContact O-ND2 3.16Å; L38-N41 PolarHBondContact O-N 3.2Å; K39-N41 VanDerWaalsContact C-N 3.29Å; K39-N41 PolarHBondContact O-N 2.66Å; N41-E43 VanDerWaalsContact C-N 3.3Å; N41-E43 PolarHBondContact O-N 2.9Å; N41-C44 PolarHBondContact O-N 2.78Å; N41-L45 WeakPolarHBondContact O-CB 3.37Å; N41-L45 WeakPolarHBondContact O-CD1 3.38Å; N41-L45 WeakPolarHBondContact O-CG 3.31Å; N41-L45 PolarHBondContact O-N 3.11Å; N41-Y69 HydrophobicContact CB-CE2 3.8Å; N41-L163 HydrophobicContact CB-CD2 4.35Å; N41-T196 WeakPolarHBondContact OD1-CB 3.42Å; N41-T196 VanDerWaalsContact OD1-CG2 3.24Å; N41-T196 WeakPolarHBondContact OD1-CG2 3.45Å; N41-T196 PolarHBondContact OD1-OG1 2.71Å |
| 42 | L | 98.6 | Very high | 97.6 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.3 | -38.8 | 178.2 | -73.4 | 173.9 | 0 | 0 | 0 | 112.1 | L38 K39 L45 H46 Y69 L72 A110 F113 A114 L117 | L38-L42 HydrophobicContact CD1-CD1 3.93Å; L38-L42 HydrophobicContact CD1-CG 4.01Å; L38-L42 HydrophobicContact CD2-CD1 4.48Å; L38-L42 HydrophobicContact CG-CD1 3.91Å; L38-L42 HydrophobicContact CG-CG 4.39Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 2.9Å; K39-L42 PolarHBondContact O-N 3.2Å; L42-L45 PolarHBondContact O-N 3.45Å; L42-H46 VanDerWaalsContact O-CB 3.3Å; L42-H46 WeakPolarHBondContact O-CB 3.06Å; L42-H46 PolarHBondContact O-N 3.31Å; L42-Y69 HydrophobicContact CD2-CD2 4.05Å; L42-Y69 HydrophobicContact CG-CD2 4.35Å; L42-L72 HydrophobicContact CD2-CD1 4.16Å; L42-A110 HydrophobicContact CD1-CB 4.49Å; L42-F113 HydrophobicContact CB-CD1 3.93Å; L42-F113 HydrophobicContact CB-CE1 3.98Å; L42-F113 HydrophobicContact CD1-CB 4.45Å; L42-F113 HydrophobicContact CD1-CD1 3.57Å; L42-F113 HydrophobicContact CD1-CE1 4.32Å; L42-F113 HydrophobicContact CD1-CG 4.43Å; L42-F113 HydrophobicContact CG-CD1 4.39Å; L42-A114 HydrophobicContact CD2-CB 4.42Å; L42-L117 HydrophobicContact CB-CD1 4.13Å |
| 43 | E | 98.4 | Very high | 97.8 | Very high | 79 Ų | 79 | 38.1 Ų | 38.1 | 37% | 0.369 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.7 | -43.4 | 173.9 | -72.6 | 173.3 | -175.2 | 0 | 0 | 112.5 | K39 F40 N41 H46 K47 L117 | K39-E43 WeakPolarHBondContact O-CB 3.39Å; K39-E43 WeakPolarHBondContact O-CG 3.48Å; K39-E43 PolarHBondContact O-N 3.2Å; F40-E43 PolarHBondContact O-N 2.77Å; N41-E43 VanDerWaalsContact C-N 3.3Å; N41-E43 PolarHBondContact O-N 2.9Å; E43-H46 PolarHBondContact O-N 3.08Å; E43-K47 WeakPolarHBondContact O-CG 3.25Å; E43-K47 PolarHBondContact O-N 2.9Å; E43-L117 HydrophobicContact CG-CD1 4.21Å; E43-L117 HydrophobicContact CG-CD2 4.08Å |
| 44 | C | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.02 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 175.9 | -68.1 | 0 | 0 | 0 | 0 | 111.3 | F40 N41 K47 T48 L236 C254 | F40-C44 VanDerWaalsContact CE2-SG 3.53Å; F40-C44 WeakPolarHBondContact CZ-SG 3.32Å; F40-C44 PolarHBondContact O-N 2.71Å; F40-C44 PolarHBondContact O-SG 3.04Å; N41-C44 PolarHBondContact O-N 2.78Å; C44-K47 PolarHBondContact O-N 3.19Å; C44-T48 WeakPolarHBondContact O-CB 3.17Å; C44-T48 PolarHBondContact O-N 3.05Å; C44-T48 PolarHBondContact O-OG1 3.39Å; C44-L236 HydrophobicContact CB-CD1 4.08Å; C44-L236 VanDerWaalsContact SG-CD1 3.59Å; C44-C254 HydrophobicContact CB-CB 4.03Å |
| 45 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 179.1 | -67.9 | 163.9 | 0 | 0 | 0 | 111.7 | N41 L42 T48 F49 Y69 Q70 A73 L161 L163 | N41-L45 WeakPolarHBondContact O-CB 3.37Å; N41-L45 WeakPolarHBondContact O-CD1 3.38Å; N41-L45 WeakPolarHBondContact O-CG 3.31Å; N41-L45 PolarHBondContact O-N 3.11Å; L42-L45 PolarHBondContact O-N 3.45Å; L45-T48 PolarHBondContact O-N 3.38Å; L45-F49 HydrophobicContact CB-CD2 4.4Å; L45-F49 HydrophobicContact CD2-CD2 4.06Å; L45-F49 HydrophobicContact CD2-CE2 3.67Å; L45-F49 WeakPolarHBondContact O-CB 3.22Å; L45-F49 WeakPolarHBondContact O-CD2 3.45Å; L45-F49 PolarHBondContact O-N 3.49Å; L45-Y69 HydrophobicContact CD1-CD2 4.31Å; L45-Y69 HydrophobicContact CD1-CE2 4.29Å; L45-Q70 HydrophobicContact CD1-CB 4.25Å; L45-A73 HydrophobicContact CB-CB 4.42Å; L45-L161 HydrophobicContact CD2-CD1 4.13Å; L45-L163 HydrophobicContact CD1-CD2 4.08Å; L45-L163 HydrophobicContact CD2-CD1 4.47Å; L45-L163 HydrophobicContact CD2-CD2 4.41Å |
| 46 | H | 98.6 | Very high | 98 | Very high | 44 Ų | 44 | 43.5 Ų | 43.5 | 20% | 0.204 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 173.2 | 176.5 | 75.3 | 0 | 0 | 0 | 111.6 | L42 E43 T48 G50 L117 | L42-H46 VanDerWaalsContact O-CB 3.3Å; L42-H46 WeakPolarHBondContact O-CB 3.06Å; L42-H46 PolarHBondContact O-N 3.31Å; E43-H46 PolarHBondContact O-N 3.08Å; H46-T48 VanDerWaalsContact C-N 3.3Å; H46-T48 PolarHBondContact O-N 3.05Å; H46-G50 WeakPolarHBondContact O-CA 3.41Å; H46-G50 PolarHBondContact O-N 2.95Å; H46-L117 HydrophobicContact CB-CB 4.15Å; H46-L117 HydrophobicContact CB-CD1 3.93Å; H46-L117 PolarHBondContact CE1-O 3.33Å; H46-L117 PolarHBondContact NE2-O 2.85Å |
| 47 | K | 98.4 | Very high | 98.1 | Very high | 127 Ų | 127 | 44.3 Ų | 44.3 | 55% | 0.552 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.5 | -36 | 173.9 | -71.7 | 170.2 | -175.7 | 168.1 | 0 | 112.7 | E43 C44 L236 | E43-K47 WeakPolarHBondContact O-CG 3.25Å; E43-K47 PolarHBondContact O-N 2.9Å; C44-K47 PolarHBondContact O-N 3.19Å; K47-L236 HydrophobicContact CD-CD1 4.41Å |
| 48 | T | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.8 | -41.8 | -176.6 | -58.9 | 0 | 0 | 0 | 0 | 112.3 | C44 L45 H46 G53 L54 V194 V256 | C44-T48 WeakPolarHBondContact O-CB 3.17Å; C44-T48 PolarHBondContact O-N 3.05Å; C44-T48 PolarHBondContact O-OG1 3.39Å; L45-T48 PolarHBondContact O-N 3.38Å; H46-T48 VanDerWaalsContact C-N 3.3Å; H46-T48 PolarHBondContact O-N 3.05Å; T48-G53 CarbonylContact O-C 3.45Å; T48-G53 VanDerWaalsContact O-CA 3.3Å; T48-G53 WeakPolarHBondContact O-CA 3.23Å; T48-L54 HydrophobicContact CG2-CD1 3.93Å; T48-L54 HydrophobicContact CG2-CG 4.26Å; T48-L54 PolarHBondContact O-N 3.44Å; T48-V194 HydrophobicContact CG2-CG1 4.05Å; T48-V194 HydrophobicContact CG2-CG2 3.84Å; T48-V256 HydrophobicContact CG2-CG2 3.69Å |
| 49 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -113.7 | -10.8 | -170.3 | -63 | -59.3 | 0 | 0 | 0 | 114.5 | L45 L54 L59 A73 A74 S77 F78 L161 V194 | L45-F49 HydrophobicContact CB-CD2 4.4Å; L45-F49 HydrophobicContact CD2-CD2 4.06Å; L45-F49 HydrophobicContact CD2-CE2 3.67Å; L45-F49 WeakPolarHBondContact O-CB 3.22Å; L45-F49 WeakPolarHBondContact O-CD2 3.45Å; L45-F49 PolarHBondContact O-N 3.49Å; F49-L54 HydrophobicContact CD1-CB 4.07Å; F49-L54 HydrophobicContact CE1-CB 4.2Å; F49-L54 HydrophobicContact CE1-CD1 4.29Å; F49-L59 HydrophobicContact CE1-CD1 4.12Å; F49-L59 HydrophobicContact CZ-CD1 4.02Å; F49-A73 HydrophobicContact CB-CB 4.08Å; F49-A74 HydrophobicContact CD1-CB 4.34Å; F49-A74 HydrophobicContact CD2-CB 3.82Å; F49-A74 HydrophobicContact CE2-CB 4.02Å; F49-A74 HydrophobicContact CG-CB 3.98Å; F49-A74 HydrophobicContact CZ-CB 4.36Å; F49-S77 PolarHBondContact O-OG 2.95Å; F49-F78 HydrophobicContact CD1-CD2 4.25Å; F49-F78 AromaticContact CD1-CE2 3.67Å; F49-F78 HydrophobicContact CD1-CE2 3.67Å; F49-F78 HydrophobicContact CE1-CD2 4.35Å; F49-F78 AromaticContact CE1-CE2 3.67Å; F49-F78 HydrophobicContact CE1-CE2 3.67Å; F49-F78 HydrophobicContact CE1-CZ 4.42Å; F49-L161 HydrophobicContact CE2-CD1 4.13Å; F49-L161 HydrophobicContact CZ-CD1 4.18Å; F49-V194 HydrophobicContact CE1-CG2 4.25Å; F49-V194 HydrophobicContact CE2-CG1 4.31Å; F49-V194 HydrophobicContact CZ-CB 4.14Å; F49-V194 HydrophobicContact CZ-CG1 4.17Å; F49-V194 HydrophobicContact CZ-CG2 3.82Å |
| 50 | G | 97.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 42 Ų | 42 | 13% | 0.134 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -73 | -166.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H46 G52 G53 | H46-G50 WeakPolarHBondContact O-CA 3.41Å; H46-G50 PolarHBondContact O-N 2.95Å; G50-G52 PolarHBondContact O-N 3.26Å; G50-G53 WeakPolarHBondContact O-CA 3.34Å; G50-G53 PolarHBondContact O-N 2.92Å |
| 51 | P | 97 | Very high | 98.4 | Very high | 130 Ų | 130 | 40.9 Ų | 40.9 | 84% | 0.844 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 122.3 | -176.7 | -27.3 | 35.5 | 0 | 0 | 0 | 113.4 | G53 | P51-G53 VanDerWaalsContact C-N 3.29Š|
| 52 | G | 96 | Very high | 98.4 | Very high | 92 Ų | 92 | 40.8 Ų | 40.8 | 95% | 0.948 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 0.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | G50 | G50-G52 PolarHBondContact O-N 3.26Š|
| 53 | G | 98 | Very high | 98.4 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 27% | 0.268 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -84.9 | -160.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T48 G50 P51 | T48-G53 CarbonylContact O-C 3.45Å; T48-G53 VanDerWaalsContact O-CA 3.3Å; T48-G53 WeakPolarHBondContact O-CA 3.23Å; G50-G53 WeakPolarHBondContact O-CA 3.34Å; G50-G53 PolarHBondContact O-N 2.92Å; P51-G53 VanDerWaalsContact C-N 3.29Å |
| 54 | L | 98.5 | Very high | 98.4 | Very high | 25 Ų | 25 | 37.6 Ų | 37.6 | 13% | 0.131 | 24% | 0.237 | C | C | . | . | trans | -68.2 | 140.5 | 178.3 | -60.2 | -175.2 | 0 | 0 | 0 | 111.5 | T48 F49 S77 F78 H192 V194 V256 | T48-L54 HydrophobicContact CG2-CD1 3.93Å; T48-L54 HydrophobicContact CG2-CG 4.26Å; T48-L54 PolarHBondContact O-N 3.44Å; F49-L54 HydrophobicContact CD1-CB 4.07Å; F49-L54 HydrophobicContact CE1-CB 4.2Å; F49-L54 HydrophobicContact CE1-CD1 4.29Å; L54-S77 WeakPolarHBondContact O-CB 3.19Å; L54-F78 HydrophobicContact CB-CE2 4.39Å; L54-F78 HydrophobicContact CB-CZ 4.36Å; L54-H192 HydrophobicContact CD1-CB 3.74Å; L54-V194 HydrophobicContact CD1-CG2 3.74Å; L54-V256 HydrophobicContact CD1-CG1 3.84Å | ||
| 55 | Q | 98.5 | Very high | 98.4 | Very high | 164 Ų | 164 | 37.9 Ų | 37.9 | 77% | 0.766 | 24% | 0.241 | S | C | * | . | trans | -145.9 | 155.5 | 176 | 59 | -177.2 | -18.3 | 0 | 0 | 110.1 | S77 | Q55-S77 WeakPolarHBondContact CA-O 3.23Š| ||
| 56 | G | 98.4 | Very high | 98.4 | Very high | 24 Ų | 24 | 38 Ų | 38 | 25% | 0.247 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | -175.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S77 F78 | G56-S77 PolarHBondContact N-O 3.26Å; G56-F78 WeakPolarHBondContact O-CA 3.36Å |
| 57 | D | 98.7 | Very high | 98.5 | Very high | 86 Ų | 86 | 36.2 Ų | 36.2 | 46% | 0.46 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -42.8 | 179.9 | -70 | -46.8 | 0 | 0 | 0 | 111.5 | Q79 D80 D158 | D57-Q79 PolarHBondContact O-N 3.25Å; D57-Q79 PolarHBondContact OD1-NE2 3.2Å; D57-D80 PolarHBondContact O-N 2.92Å; D57-D158 PolarHBondContact N-OD2 3.34Å |
| 58 | T | 98.9 | Very high | 98.5 | Very high | 31 Ų | 31 | 30.2 Ų | 30.2 | 19% | 0.19 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.6 | -164.2 | 50.7 | 0 | 0 | 0 | 0 | 113 | D80 A157 D158 C159 | T58-D80 WeakPolarHBondContact CA-O 3.4Å; T58-D80 HydrophobicContact CG2-CB 4.17Å; T58-A157 WeakPolarHBondContact OG1-CA 3.46Å; T58-D158 PolarHBondContact N-OD2 3.28Å; T58-D158 WeakPolarHBondContact O-CB 3.29Å; T58-D158 PolarHBondContact O-N 3.41Å; T58-D158 VanDerWaalsContact O-N 3.1Å; T58-D158 PolarHBondContact OG1-N 2.86Å; T58-D158 PolarHBondContact OG1-OD2 2.78Å; T58-C159 PolarHBondContact O-N 2.85Å; T58-C159 VanDerWaalsContact O-N 3.11Å |
| 59 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.4 | 172.7 | -176.8 | 151.2 | 0 | 0 | 0 | 110.6 | F49 D61 V71 A74 F78 D80 I81 T82 C159 L161 | F49-L59 HydrophobicContact CE1-CD1 4.12Å; F49-L59 HydrophobicContact CZ-CD1 4.02Å; L59-D61 HydrophobicContact CD2-CB 4.27Å; L59-V71 HydrophobicContact CD2-CG1 4.17Å; L59-A74 HydrophobicContact CD1-CB 3.94Å; L59-F78 HydrophobicContact CB-CB 3.94Å; L59-F78 HydrophobicContact CB-CD1 3.87Å; L59-F78 HydrophobicContact CB-CD2 4.47Å; L59-F78 HydrophobicContact CB-CG 3.83Å; L59-F78 HydrophobicContact CD1-CD2 3.92Å; L59-F78 HydrophobicContact CD1-CE2 4.23Å; L59-F78 HydrophobicContact CD1-CG 4.13Å; L59-D80 PolarHBondContact N-O 2.87Å; L59-I81 HydrophobicContact CB-CG1 4.47Å; L59-I81 HydrophobicContact CD2-CG2 4.12Å; L59-I81 CarbonylContact O-C 3.54Å; L59-I81 WeakPolarHBondContact O-CA 3.31Å; L59-T82 PolarHBondContact O-N 2.75Å; L59-C159 VanDerWaalsContact CA-O 3.31Å; L59-C159 WeakPolarHBondContact CA-O 3.33Å; L59-C159 HydrophobicContact CB-CB 4.25Å; L59-C159 HydrophobicContact CD1-CB 3.97Å; L59-C159 HydrophobicContact CG-CB 4.03Å; L59-L161 HydrophobicContact CD2-CB 4.02Å; L59-L161 HydrophobicContact CD2-CD2 4.36Å; L59-L161 HydrophobicContact CG-CB 4.44Å |
| 60 | I | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 114.5 | 173.7 | -56.7 | 173 | 0 | 0 | 0 | 108.5 | I62 T82 L149 L154 A157 C159 V160 L161 L186 | I60-I62 HydrophobicContact CG2-CD1 3.87Å; I60-I62 HydrophobicContact CG2-CG1 4.03Å; I60-T82 HydrophobicContact CG2-CG2 4.28Å; I60-L149 HydrophobicContact CD1-CD1 4.1Å; I60-L149 HydrophobicContact CG2-CD1 4.12Å; I60-L154 HydrophobicContact CD1-CD1 4.13Å; I60-A157 HydrophobicContact CD1-CB 3.7Å; I60-A157 HydrophobicContact CG1-CB 3.86Å; I60-C159 PolarHBondContact N-O 2.8Å; I60-V160 HydrophobicContact CB-CG2 4.42Å; I60-V160 CarbonylContact O-C 3.59Å; I60-V160 VanDerWaalsContact O-CA 3.29Å; I60-V160 WeakPolarHBondContact O-CA 3.24Å; I60-L161 PolarHBondContact O-N 2.7Å; I60-L186 HydrophobicContact CD1-CB 4.47Å |
| 61 | D | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 124 | 170.6 | -173.8 | 44.1 | 0 | 0 | 0 | 109.9 | L59 S64 Q70 V71 T82 L83 S84 L161 | L59-D61 HydrophobicContact CD2-CB 4.27Å; D61-S64 VanDerWaalsContact CG-OG 3.3Å; D61-S64 PolarHBondContact O-OG 3.24Å; D61-S64 WeakPolarHBondContact OD2-CA 3.4Å; D61-S64 WeakPolarHBondContact OD2-CB 3.34Å; D61-S64 PolarHBondContact OD2-OG 2.8Å; D61-Q70 PolarHBondContact OD2-NE2 3.06Å; D61-V71 HydrophobicContact CB-CG1 4.36Å; D61-T82 PolarHBondContact N-O 2.87Å; D61-L83 HydrophobicContact CB-CD2 3.86Å; D61-S84 PolarHBondContact O-N 3.42Å; D61-S84 PolarHBondContact O-OG 3.48Å; D61-L161 CarbonylContact C-O 3.46Å; D61-L161 WeakPolarHBondContact CA-O 3.31Å; D61-L161 HydrophobicContact CB-CB 4.31Å; D61-L161 HydrophobicContact CB-CD2 4.41Å; D61-L161 WeakPolarHBondContact OD1-CG 3.38Å |
| 62 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.4 | -174.5 | -63.8 | -80.3 | 0 | 0 | 0 | 109.3 | I60 S84 C141 V143 P148 L149 V160 L161 T162 L183 L186 | I60-I62 HydrophobicContact CG2-CD1 3.87Å; I60-I62 HydrophobicContact CG2-CG1 4.03Å; I62-S84 WeakPolarHBondContact CD1-OG 3.38Å; I62-C141 HydrophobicContact CD1-CB 4.3Å; I62-V143 HydrophobicContact CG2-CG1 3.5Å; I62-P148 HydrophobicContact CD1-CB 4.37Å; I62-L149 HydrophobicContact CD1-CD2 3.92Å; I62-V160 HydrophobicContact CG1-CG1 4.12Å; I62-L161 PolarHBondContact N-O 2.86Å; I62-T162 VanDerWaalsContact O-CB 3.28Å; I62-T162 WeakPolarHBondContact O-CB 3.41Å; I62-T162 PolarHBondContact O-OG1 3.27Å; I62-L183 HydrophobicContact CB-CD2 4.3Å; I62-L183 HydrophobicContact CG1-CD2 4.11Å; I62-L183 HydrophobicContact CG2-CD2 3.85Å; I62-L186 HydrophobicContact CD1-CD1 3.79Å; I62-L186 HydrophobicContact CG1-CD1 4.34Å |
| 63 | G | 98.8 | Very high | 98.8 | Very high | 15 Ų | 15 | 19.7 Ų | 19.7 | 16% | 0.155 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 72.2 | 40.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G65 S84 D85 | G63-G65 PolarHBondContact O-N 2.97Å; G63-S84 CarbonylContact C-O 3.5Å; G63-S84 WeakPolarHBondContact CA-O 3.48Å; G63-S84 PolarHBondContact N-O 2.78Å; G63-D85 WeakPolarHBondContact CA-OD2 3.43Å |
| 64 | S | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | trans | -56 | -21.7 | -178.8 | -58.4 | 0 | 0 | 0 | 0 | 113.6 | D61 T67 Q70 S84 | D61-S64 VanDerWaalsContact CG-OG 3.3Å; D61-S64 PolarHBondContact O-OG 3.24Å; D61-S64 WeakPolarHBondContact OD2-CA 3.4Å; D61-S64 WeakPolarHBondContact OD2-CB 3.34Å; D61-S64 PolarHBondContact OD2-OG 2.8Å; S64-T67 PolarHBondContact O-N 3.25Å; S64-T67 PolarHBondContact O-OG1 2.87Å; S64-Q70 PolarHBondContact O-NE2 2.83Å; S64-S84 PolarHBondContact N-O 3.37Å; S64-S84 PolarHBondContact OG-N 3.32Å; S64-S84 PolarHBondContact OG-O 3.09Å | ||
| 65 | G | 98.8 | Very high | 98.8 | Very high | 9 Ų | 9 | 17.5 Ų | 17.5 | 9% | 0.093 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | -149.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111 | G63 T67 D85 L94 | G63-G65 PolarHBondContact O-N 2.97Å; G65-T67 VanDerWaalsContact C-N 3.26Å; G65-D85 WeakPolarHBondContact CA-OD2 3.33Å; G65-D85 PolarHBondContact N-OD2 3Å; G65-L94 VanDerWaalsContact O-CD1 3.32Å; G65-L94 WeakPolarHBondContact O-CD1 3.37Å; G65-L94 WeakPolarHBondContact O-CG 3.37Å |
| 66 | P | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 12.8 Ų | 12.8 | 2% | 0.019 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 24.4 | 171.8 | 38.7 | -34.2 | 0 | 0 | 0 | 112.3 | P17 Y20 L21 N90 E93 | P17-P66 HydrophobicContact CB-CB 3.83Å; P17-P66 HydrophobicContact CB-CG 4Å; Y20-P66 HydrophobicContact CD1-CG 3.69Å; Y20-P66 HydrophobicContact CE1-CG 4.33Å; L21-P66 HydrophobicContact CD1-CB 4.22Å; L21-P66 HydrophobicContact CD1-CG 4.29Å; L21-P66 HydrophobicContact CD2-CG 4.09Å; L21-P66 HydrophobicContact CG-CB 4.44Å; L21-P66 HydrophobicContact CG-CG 3.98Å; P66-N90 HydrophobicContact CB-CB 4.47Å; P66-N90 WeakPolarHBondContact CD-OD1 3.3Å; P66-E93 HydrophobicContact CB-CB 3.82Å; P66-E93 HydrophobicContact CB-CG 4.4Å |
| 67 | T | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 13.1 Ų | 13.1 | 4% | 0.037 | 8% | 0.081 | C | C | . | . | trans | -113.5 | 149.9 | -170.3 | 72 | 0 | 0 | 0 | 0 | 114 | Y20 L21 Y25 S64 G65 Y69 Q70 L94 W107 | Y20-T67 HydrophobicContact CE1-CG2 3.89Å; L21-T67 HydrophobicContact CD2-CG2 4.04Å; Y25-T67 HydrophobicContact CD2-CG2 4.06Å; Y25-T67 HydrophobicContact CE2-CG2 3.68Å; S64-T67 PolarHBondContact O-N 3.25Å; S64-T67 PolarHBondContact O-OG1 2.87Å; G65-T67 VanDerWaalsContact C-N 3.26Å; T67-Y69 HydrophobicContact CG2-CD1 4.45Å; T67-Y69 HydrophobicContact CG2-CE1 4.39Å; T67-Q70 VanDerWaalsContact C-OE1 3.29Å; T67-Q70 PolarHBondContact O-NE2 2.98Å; T67-Q70 PolarHBondContact O-OE1 2.9Å; T67-Q70 PolarHBondContact OG1-NE2 2.88Å; T67-Q70 PolarHBondContact OG1-OE1 3.05Å; T67-L94 WeakPolarHBondContact O-CD2 3.44Å; T67-W107 HydrophobicContact CG2-CH2 3.71Å; T67-W107 HydrophobicContact CG2-CZ2 3.93Å | ||
| 68 | I | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 9.2 Ų | 9.2 | 1% | 0.01 | 6% | 0.06 | C | C | . | . | trans | -123.2 | -6.3 | 178.6 | 62.2 | 80.3 | 0 | 0 | 0 | 113.3 | Q70 V71 L72 L83 L94 W97 W107 L131 | I68-Q70 PolarHBondContact O-N 2.86Å; I68-V71 WeakPolarHBondContact O-CG2 3.44Å; I68-V71 PolarHBondContact O-N 3.34Å; I68-L72 HydrophobicContact CD1-CD1 4.49Å; I68-L72 HydrophobicContact CD1-CD2 3.95Å; I68-L72 HydrophobicContact CD1-CG 4.22Å; I68-L83 HydrophobicContact CG2-CD1 4.4Å; I68-L94 HydrophobicContact CG2-CD2 3.74Å; I68-W97 HydrophobicContact CD1-CH2 4.26Å; I68-W97 HydrophobicContact CD1-CZ2 4.03Å; I68-W97 HydrophobicContact CG1-CD2 4.23Å; I68-W97 HydrophobicContact CG1-CE3 4.35Å; I68-W97 HydrophobicContact CG1-CH2 4.34Å; I68-W97 HydrophobicContact CG1-CZ2 4.21Å; I68-W97 HydrophobicContact CG1-CZ3 4.4Å; I68-W97 HydrophobicContact CG2-CD2 4.42Å; I68-W97 HydrophobicContact CG2-CE3 3.96Å; I68-W97 HydrophobicContact CG2-CZ3 4.26Å; I68-W107 HydrophobicContact CD1-CB 3.87Å; I68-W107 HydrophobicContact CD1-CD2 3.92Å; I68-W107 HydrophobicContact CD1-CE3 4.32Å; I68-W107 HydrophobicContact CD1-CG 3.71Å; I68-W107 HydrophobicContact CG1-CB 4.31Å; I68-W107 HydrophobicContact CG1-CD2 3.76Å; I68-W107 HydrophobicContact CG1-CE3 4.46Å; I68-W107 HydrophobicContact CG1-CG 3.65Å; I68-L131 HydrophobicContact CB-CD2 4.14Å; I68-L131 HydrophobicContact CD1-CD2 4.01Å | ||
| 69 | Y | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 13.8 Ų | 13.8 | 2% | 0.016 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -59.6 | -33.3 | -175.5 | 78.3 | -89.2 | 0 | 0 | 0 | 111.9 | Y25 L38 N41 L42 L45 T67 V71 L72 W107 L163 | Y25-Y69 HydrophobicContact CD1-CD1 4.4Å; Y25-Y69 AromaticContact CE1-CD1 3.74Å; Y25-Y69 HydrophobicContact CE1-CD1 3.74Å; Y25-Y69 AromaticContact CE1-CE1 3.58Å; Y25-Y69 HydrophobicContact CE1-CE1 3.58Å; Y25-Y69 AromaticContact CZ-CE1 3.68Å; Y25-Y69 WeakPolarHBondContact OH-CE1 3.34Å; L38-Y69 HydrophobicContact CD1-CD1 4.06Å; L38-Y69 HydrophobicContact CD1-CD2 3.41Å; L38-Y69 VanDerWaalsContact CD1-CD2 3.41Å; L38-Y69 HydrophobicContact CD1-CE2 3.92Å; L38-Y69 HydrophobicContact CD1-CG 3.5Å; N41-Y69 HydrophobicContact CB-CE2 3.8Å; L42-Y69 HydrophobicContact CD2-CD2 4.05Å; L42-Y69 HydrophobicContact CG-CD2 4.35Å; L45-Y69 HydrophobicContact CD1-CD2 4.31Å; L45-Y69 HydrophobicContact CD1-CE2 4.29Å; T67-Y69 HydrophobicContact CG2-CD1 4.45Å; T67-Y69 HydrophobicContact CG2-CE1 4.39Å; Y69-V71 PolarHBondContact O-N 2.9Å; Y69-L72 PolarHBondContact O-N 2.89Å; Y69-W107 HydrophobicContact CD1-CH2 4.17Å; Y69-W107 HydrophobicContact CD1-CZ3 4.11Å; Y69-W107 HydrophobicContact CG-CZ3 4.43Å; Y69-L163 HydrophobicContact CE2-CD2 3.97Å |
| 70 | Q | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 15.5 Ų | 15.5 | 1% | 0.014 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -67.2 | -18.8 | -174.5 | 68.7 | -82.3 | 19 | 0 | 0 | 113.5 | L45 D61 S64 T67 I68 L161 L163 | L45-Q70 HydrophobicContact CD1-CB 4.25Å; D61-Q70 PolarHBondContact OD2-NE2 3.06Å; S64-Q70 PolarHBondContact O-NE2 2.83Å; T67-Q70 VanDerWaalsContact C-OE1 3.29Å; T67-Q70 PolarHBondContact O-NE2 2.98Å; T67-Q70 PolarHBondContact O-OE1 2.9Å; T67-Q70 PolarHBondContact OG1-NE2 2.88Å; T67-Q70 PolarHBondContact OG1-OE1 3.05Å; I68-Q70 PolarHBondContact O-N 2.86Å; Q70-L161 HydrophobicContact CB-CD2 4.1Å; Q70-L161 HydrophobicContact CG-CD2 3.94Å; Q70-L161 WeakPolarHBondContact O-CD2 3.49Å; Q70-L163 HydrophobicContact CB-CD1 4.37Å; Q70-L163 HydrophobicContact CB-CD2 3.91Å |
| 71 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -112 | 7.4 | -179.5 | -71.7 | 0 | 0 | 0 | 0 | 113.6 | L59 D61 I68 Y69 A74 C75 I81 L83 L131 L161 | L59-V71 HydrophobicContact CD2-CG1 4.17Å; D61-V71 HydrophobicContact CB-CG1 4.36Å; I68-V71 WeakPolarHBondContact O-CG2 3.44Å; I68-V71 PolarHBondContact O-N 3.34Å; Y69-V71 PolarHBondContact O-N 2.9Å; V71-A74 HydrophobicContact CB-CB 4.41Å; V71-A74 PolarHBondContact O-N 3.25Å; V71-C75 PolarHBondContact O-N 3.28Å; V71-C75 VanDerWaalsContact O-N 3.08Å; V71-I81 HydrophobicContact CB-CD1 4.23Å; V71-I81 HydrophobicContact CG1-CG2 4.11Å; V71-L83 HydrophobicContact CG1-CD2 4.12Å; V71-L83 HydrophobicContact CG2-CD2 4.11Å; V71-L131 HydrophobicContact CB-CD1 4.01Å; V71-L131 HydrophobicContact CG2-CD1 3.56Å; V71-L131 HydrophobicContact CG2-CD2 4Å; V71-L131 HydrophobicContact CG2-CG 4.41Å; V71-L161 HydrophobicContact CG1-CD2 3.79Å |
| 72 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -51.6 | 178.7 | -73.5 | 169.5 | 0 | 0 | 0 | 112.1 | L42 I68 Y69 C75 A110 V111 A114 K127 L131 | L42-L72 HydrophobicContact CD2-CD1 4.16Å; I68-L72 HydrophobicContact CD1-CD1 4.49Å; I68-L72 HydrophobicContact CD1-CD2 3.95Å; I68-L72 HydrophobicContact CD1-CG 4.22Å; Y69-L72 PolarHBondContact O-N 2.89Å; L72-C75 PolarHBondContact O-SG 3.17Å; L72-A110 HydrophobicContact CD1-CB 4.26Å; L72-V111 HydrophobicContact CD1-CG2 4.37Å; L72-V111 HydrophobicContact CD2-CB 4.43Å; L72-V111 HydrophobicContact CD2-CG1 4.34Å; L72-V111 HydrophobicContact CD2-CG2 3.83Å; L72-A114 HydrophobicContact CB-CB 3.91Å; L72-A114 HydrophobicContact CD1-CB 3.85Å; L72-A114 HydrophobicContact CG-CB 4.46Å; L72-K127 HydrophobicContact CD2-CG 4.16Å; L72-K127 WeakPolarHBondContact O-CE 3.37Å; L72-K127 PolarHBondContact O-NZ 3.01Å; L72-L131 HydrophobicContact CD2-CD2 3.8Å; L72-L131 HydrophobicContact CG-CD2 4.42Å |
| 73 | A | 98.8 | Very high | 98.8 | Very high | 7 Ų | 7 | 15.4 Ų | 15.4 | 6% | 0.058 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -37.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | L45 F49 C75 D76 | L45-A73 HydrophobicContact CB-CB 4.42Å; F49-A73 HydrophobicContact CB-CB 4.08Å; A73-C75 VanDerWaalsContact C-N 3.31Å; A73-C75 PolarHBondContact O-N 3.37Å; A73-D76 PolarHBondContact O-N 2.9Å |
| 74 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -62.7 | -32.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F49 L59 V71 D76 S77 F78 | F49-A74 HydrophobicContact CD1-CB 4.34Å; F49-A74 HydrophobicContact CD2-CB 3.82Å; F49-A74 HydrophobicContact CE2-CB 4.02Å; F49-A74 HydrophobicContact CG-CB 3.98Å; F49-A74 HydrophobicContact CZ-CB 4.36Å; L59-A74 HydrophobicContact CD1-CB 3.94Å; V71-A74 HydrophobicContact CB-CB 4.41Å; V71-A74 PolarHBondContact O-N 3.25Å; A74-D76 PolarHBondContact O-N 3.08Å; A74-D76 VanDerWaalsContact O-N 3.11Å; A74-S77 PolarHBondContact O-N 3.49Å; A74-F78 PolarHBondContact O-N 3.45Å |
| 75 | C | 98.6 | Very high | 98.8 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 3% | 0.034 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -68.7 | -7.8 | -179.5 | 76.5 | 0 | 0 | 0 | 0 | 114.3 | V71 L72 A73 I81 K127 K130 L131 A134 | V71-C75 PolarHBondContact O-N 3.28Å; V71-C75 VanDerWaalsContact O-N 3.08Å; L72-C75 PolarHBondContact O-SG 3.17Å; A73-C75 VanDerWaalsContact C-N 3.31Å; A73-C75 PolarHBondContact O-N 3.37Å; C75-I81 HydrophobicContact CB-CD1 3.78Å; C75-K127 WeakPolarHBondContact SG-CE 3.39Å; C75-K127 PolarHBondContact SG-NZ 3.24Å; C75-K130 WeakPolarHBondContact O-CE 3.38Å; C75-L131 HydrophobicContact CB-CB 4.31Å; C75-L131 HydrophobicContact CB-CD1 3.84Å; C75-A134 HydrophobicContact CB-CB 3.86Å |
| 76 | D | 98.4 | Very high | 98.8 | Very high | 66 Ų | 66 | 17.3 Ų | 17.3 | 35% | 0.353 | 9% | 0.089 | S | C | . | . | G | 310 helix | trans | -78.8 | -23.9 | 169 | -68.6 | -29.2 | 0 | 0 | 0 | 113.8 | A73 A74 K127 K130 | A73-D76 PolarHBondContact O-N 2.9Å; A74-D76 PolarHBondContact O-N 3.08Å; A74-D76 VanDerWaalsContact O-N 3.11Å; D76-K127 IonicContact OD1-NZ 2.72Å; D76-K127 PolarHBondContact OD1-NZ 3.38Å; D76-K127 IonicContact OD2-NZ 3.24Å; D76-K127 PolarHBondContact OD2-NZ 2.87Å; D76-K130 WeakPolarHBondContact OD1-CD 3.47Å; D76-K130 VanDerWaalsContact OD1-CE 3.23Å; D76-K130 WeakPolarHBondContact OD1-CE 3.47Å; D76-K130 IonicContact OD1-NZ 3.45Å; D76-K130 PolarHBondContact OD1-NZ 2.83Å |
| 77 | S | 98.4 | Very high | 98.8 | Very high | 30 Ų | 30 | 17.2 Ų | 17.2 | 21% | 0.21 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -9.9 | -169.4 | -58.2 | 0 | 0 | 0 | 0 | 113.1 | F49 L54 Q55 G56 A74 | F49-S77 PolarHBondContact O-OG 2.95Å; L54-S77 WeakPolarHBondContact O-CB 3.19Å; Q55-S77 WeakPolarHBondContact CA-O 3.23Å; G56-S77 PolarHBondContact N-O 3.26Å; A74-S77 PolarHBondContact O-N 3.49Å |
| 78 | F | 98.8 | Very high | 98.8 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.018 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 124.5 | 176 | -64.6 | -91.8 | 0 | 0 | 0 | 110.7 | F49 L54 G56 L59 A74 I81 D158 C159 | F49-F78 HydrophobicContact CD1-CD2 4.25Å; F49-F78 AromaticContact CD1-CE2 3.67Å; F49-F78 HydrophobicContact CD1-CE2 3.67Å; F49-F78 HydrophobicContact CE1-CD2 4.35Å; F49-F78 AromaticContact CE1-CE2 3.67Å; F49-F78 HydrophobicContact CE1-CE2 3.67Å; F49-F78 HydrophobicContact CE1-CZ 4.42Å; L54-F78 HydrophobicContact CB-CE2 4.39Å; L54-F78 HydrophobicContact CB-CZ 4.36Å; G56-F78 WeakPolarHBondContact O-CA 3.36Å; L59-F78 HydrophobicContact CB-CB 3.94Å; L59-F78 HydrophobicContact CB-CD1 3.87Å; L59-F78 HydrophobicContact CB-CD2 4.47Å; L59-F78 HydrophobicContact CB-CG 3.83Å; L59-F78 HydrophobicContact CD1-CD2 3.92Å; L59-F78 HydrophobicContact CD1-CE2 4.23Å; L59-F78 HydrophobicContact CD1-CG 4.13Å; A74-F78 PolarHBondContact O-N 3.45Å; F78-I81 HydrophobicContact CB-CG1 4.43Å; F78-D158 HydrophobicContact CE1-CB 3.94Å; F78-C159 HydrophobicContact CD1-CB 4.42Å; F78-C159 HydrophobicContact CE1-CB 3.63Å; F78-C159 HydrophobicContact CE2-CB 4.42Å; F78-C159 HydrophobicContact CZ-CB 3.64Å |
| 79 | Q | 98.3 | Very high | 98.8 | Very high | 127 Ų | 127 | 24.2 Ų | 24.2 | 59% | 0.593 | 12% | 0.119 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -20.1 | -172.8 | 58.7 | 177.6 | -6 | 0 | 0 | 114.5 | D57 K136 | D57-Q79 PolarHBondContact O-N 3.25Å; D57-Q79 PolarHBondContact OD1-NE2 3.2Å; Q79-K136 WeakPolarHBondContact O-CE 2.9Å; Q79-K136 PolarHBondContact O-NZ 3.43Å |
| 80 | D | 98.9 | Very high | 98.8 | Very high | 38 Ų | 38 | 24.2 Ų | 24.2 | 20% | 0.203 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 105 | 172.9 | -173.6 | -35.4 | 0 | 0 | 0 | 109.3 | D57 T58 L59 K136 R137 | D57-D80 PolarHBondContact O-N 2.92Å; T58-D80 WeakPolarHBondContact CA-O 3.4Å; T58-D80 HydrophobicContact CG2-CB 4.17Å; L59-D80 PolarHBondContact N-O 2.87Å; D80-K136 HydrophobicContact CB-CG 4.05Å; D80-K136 WeakPolarHBondContact OD1-CG 3.39Å; D80-K136 WeakPolarHBondContact OD2-CG 3.21Å; D80-R137 IonicContact OD1-CZ 3.29Å; D80-R137 IonicContact OD1-NH1 3.68Å; D80-R137 PolarHBondContact OD1-NH1 2.75Å; D80-R137 IonicContact OD1-NH2 3.7Å; D80-R137 PolarHBondContact OD1-NH2 3.31Å; D80-R137 IonicContact OD2-CZ 2.69Å; D80-R137 IonicContact OD2-NH1 2.58Å; D80-R137 PolarHBondContact OD2-NH1 2.81Å; D80-R137 IonicContact OD2-NH2 2.79Å; D80-R137 PolarHBondContact OD2-NH2 2.72Å |
| 81 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 130.2 | 177.5 | -59.5 | 179.7 | 0 | 0 | 0 | 109.3 | L59 V71 C75 F78 L83 L131 A134 V135 K136 | L59-I81 HydrophobicContact CB-CG1 4.47Å; L59-I81 HydrophobicContact CD2-CG2 4.12Å; L59-I81 CarbonylContact O-C 3.54Å; L59-I81 WeakPolarHBondContact O-CA 3.31Å; V71-I81 HydrophobicContact CB-CD1 4.23Å; V71-I81 HydrophobicContact CG1-CG2 4.11Å; C75-I81 HydrophobicContact CB-CD1 3.78Å; F78-I81 HydrophobicContact CB-CG1 4.43Å; I81-L83 HydrophobicContact CG2-CD2 3.94Å; I81-L83 HydrophobicContact CG2-CG 4.49Å; I81-L131 HydrophobicContact CD1-CD1 4.18Å; I81-A134 HydrophobicContact CD1-CB 4.01Å; I81-A134 HydrophobicContact CG1-CB 4.25Å; I81-A134 PolarHBondContact N-O 2.84Å; I81-V135 HydrophobicContact CB-CG2 4.23Å; I81-V135 HydrophobicContact CG2-CG2 4.14Å; I81-V135 CarbonylContact O-C 3.53Å; I81-V135 WeakPolarHBondContact O-CA 3.33Å; I81-K136 PolarHBondContact O-N 3.1Å |
| 82 | T | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121 | 166.6 | -63.3 | 0 | 0 | 0 | 0 | 108.7 | L59 I60 D61 R137 L139 L154 | L59-T82 PolarHBondContact O-N 2.75Å; I60-T82 HydrophobicContact CG2-CG2 4.28Å; D61-T82 PolarHBondContact N-O 2.87Å; T82-R137 HydrophobicContact CG2-CG 3.8Å; T82-R137 WeakPolarHBondContact OG1-CG 3.29Å; T82-R137 PolarHBondContact OG1-NH1 2.85Å; T82-L139 HydrophobicContact CG2-CD1 3.87Å; T82-L139 HydrophobicContact CG2-CG 4.12Å; T82-L154 HydrophobicContact CG2-CD1 4.2Å |
| 83 | L | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 143.6 | 166.5 | -58.6 | -176.7 | 0 | 0 | 0 | 108.8 | D61 I68 V71 I81 L94 V135 R137 V138 L139 | D61-L83 HydrophobicContact CB-CD2 3.86Å; I68-L83 HydrophobicContact CG2-CD1 4.4Å; V71-L83 HydrophobicContact CG1-CD2 4.12Å; V71-L83 HydrophobicContact CG2-CD2 4.11Å; I81-L83 HydrophobicContact CG2-CD2 3.94Å; I81-L83 HydrophobicContact CG2-CG 4.49Å; L83-L94 HydrophobicContact CB-CD1 4.07Å; L83-L94 HydrophobicContact CD1-CD1 4.09Å; L83-L94 HydrophobicContact CD1-CD2 4.12Å; L83-V135 HydrophobicContact CD1-CG1 4.12Å; L83-V135 HydrophobicContact CD1-CG2 4.1Å; L83-V135 HydrophobicContact CG-CG1 4.03Å; L83-V135 HydrophobicContact CG-CG2 4.16Å; L83-R137 PolarHBondContact N-O 3.49Å; L83-V138 HydrophobicContact CB-CG2 4.47Å; L83-V138 CarbonylContact O-C 3.59Å; L83-V138 VanDerWaalsContact O-CA 3.27Å; L83-V138 WeakPolarHBondContact O-CA 3.38Å; L83-L139 PolarHBondContact O-N 3.35Å |
| 84 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 139 | 177.6 | 67.1 | 0 | 0 | 0 | 0 | 113.3 | D61 I62 G63 S64 L139 | D61-S84 PolarHBondContact O-N 3.42Å; D61-S84 PolarHBondContact O-OG 3.48Å; I62-S84 WeakPolarHBondContact CD1-OG 3.38Å; G63-S84 CarbonylContact C-O 3.5Å; G63-S84 WeakPolarHBondContact CA-O 3.48Å; G63-S84 PolarHBondContact N-O 2.78Å; S64-S84 PolarHBondContact N-O 3.37Å; S64-S84 PolarHBondContact OG-N 3.32Å; S64-S84 PolarHBondContact OG-O 3.09Å; S84-L139 CarbonylContact C-O 3.6Å; S84-L139 WeakPolarHBondContact CA-O 3.36Å; S84-L139 VanDerWaalsContact CB-O 3.24Å; S84-L139 WeakPolarHBondContact CB-O 3.37Å |
| 85 | D | 98.9 | Very high | 98.8 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 148.9 | 179.2 | -164.5 | -107.2 | 0 | 0 | 0 | 111.6 | G63 G65 T87 N90 R91 L139 C141 | G63-D85 WeakPolarHBondContact CA-OD2 3.43Å; G65-D85 WeakPolarHBondContact CA-OD2 3.33Å; G65-D85 PolarHBondContact N-OD2 3Å; D85-T87 WeakPolarHBondContact OD1-CA 3.42Å; D85-T87 VanDerWaalsContact OD1-CB 3.32Å; D85-T87 WeakPolarHBondContact OD1-CB 3.38Å; D85-T87 PolarHBondContact OD1-N 3.01Å; D85-N90 HydrophobicContact CB-CB 4.22Å; D85-N90 VanDerWaalsContact OD1-CB 3.27Å; D85-N90 WeakPolarHBondContact OD1-CB 3.46Å; D85-N90 PolarHBondContact OD1-ND2 3.28Å; D85-R91 HydrophobicContact CB-CG 3.99Å; D85-R91 WeakPolarHBondContact O-CD 3.4Å; D85-R91 PolarHBondContact O-NH1 3.3Å; D85-L139 PolarHBondContact N-O 3.14Å; D85-L139 VanDerWaalsContact N-O 3.1Å; D85-C141 PolarHBondContact O-N 3.03Å |
| 86 | F | 98.9 | Very high | 98.8 | Very high | 53 Ų | 53 | 38 Ų | 38 | 23% | 0.232 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -66.3 | -44.6 | 173.3 | -173.6 | -90.4 | 0 | 0 | 0 | 110.6 | G8 Q12 D88 R91 K140 C141 D142 | G8-F86 VanDerWaalsContact CA-CE1 3.43Å; G8-F86 WeakPolarHBondContact O-CE1 3.49Å; Q12-F86 HydrophobicContact CG-CD1 4.23Å; Q12-F86 HydrophobicContact CG-CE1 3.66Å; Q12-F86 PolarHBondContact NE2-O 3.49Å; F86-D88 PolarHBondContact O-N 3.09Å; F86-R91 PolarHBondContact O-NH1 3.33Å; F86-R91 VanDerWaalsContact O-NH1 3.14Å; F86-K140 VanDerWaalsContact CD2-NZ 3.29Å; F86-K140 VanDerWaalsContact O-CD 3.24Å; F86-K140 WeakPolarHBondContact O-CD 3.14Å; F86-K140 WeakPolarHBondContact O-CE 3.25Å; F86-K140 PolarHBondContact O-NZ 3.06Å; F86-C141 VanDerWaalsContact CA-O 3.29Å; F86-C141 WeakPolarHBondContact CA-O 3.28Å; F86-C141 WeakPolarHBondContact CB-O 3.49Å; F86-C141 VanDerWaalsContact CD2-O 3.31Å; F86-C141 WeakPolarHBondContact CD2-O 3.48Å; F86-D142 HydrophobicContact CD2-CB 3.96Å; F86-D142 HydrophobicContact CE2-CB 4.17Å |
| 87 | T | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | trans | -78.1 | 128.2 | -171.6 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | F15 D85 R89 N90 R91 | F15-T87 HydrophobicContact CB-CG2 4.1Å; F15-T87 HydrophobicContact CD1-CG2 4.41Å; D85-T87 WeakPolarHBondContact OD1-CA 3.42Å; D85-T87 VanDerWaalsContact OD1-CB 3.32Å; D85-T87 WeakPolarHBondContact OD1-CB 3.38Å; D85-T87 PolarHBondContact OD1-N 3.01Å; T87-R89 HydrophobicContact CG2-CB 4.43Å; T87-R89 PolarHBondContact O-N 3.1Å; T87-N90 WeakPolarHBondContact CB-ND2 3.48Å; T87-N90 WeakPolarHBondContact O-CB 3.45Å; T87-N90 PolarHBondContact O-N 3.43Å; T87-R91 PolarHBondContact O-N 3.26Å; T87-R91 PolarHBondContact O-NH1 2.9Å | ||
| 88 | D | 98.9 | Very high | 98.9 | Very high | 63 Ų | 63 | 35.3 Ų | 35.3 | 34% | 0.337 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.6 | -42.1 | -175.5 | -61.9 | -11.5 | 0 | 0 | 0 | 111.8 | Q12 F86 N90 R91 E92 | Q12-D88 PolarHBondContact NE2-OD1 3.47Å; Q12-D88 PolarHBondContact NE2-OD2 2.86Å; F86-D88 PolarHBondContact O-N 3.09Å; D88-N90 PolarHBondContact O-N 3.38Å; D88-R91 PolarHBondContact O-N 3.32Å; D88-R91 VanDerWaalsContact O-N 3.15Å; D88-R91 IonicContact OD1-CZ 3.75Å; D88-R91 VanDerWaalsContact OD1-CZ 3.24Å; D88-R91 IonicContact OD1-NH1 3.57Å; D88-R91 PolarHBondContact OD1-NH1 3.45Å; D88-R91 IonicContact OD1-NH2 3.65Å; D88-R91 PolarHBondContact OD1-NH2 2.85Å; D88-E92 WeakPolarHBondContact O-CG 3.3Å; D88-E92 PolarHBondContact O-N 3.18Å |
| 89 | R | 98.8 | Very high | 98.9 | Very high | 91 Ų | 91 | 40.8 Ų | 40.8 | 34% | 0.343 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.7 | -30.2 | 177.7 | -61.4 | -169.8 | -170.2 | 84 | 11.6 | 113.4 | Q12 P17 T87 E92 E93 | Q12-R89 PolarHBondContact O-NH1 3.03Å; P17-R89 HydrophobicContact CG-CB 3.59Å; P17-R89 WeakPolarHBondContact CG-O 3.1Å; T87-R89 HydrophobicContact CG2-CB 4.43Å; T87-R89 PolarHBondContact O-N 3.1Å; R89-E92 PolarHBondContact O-N 3.01Å; R89-E93 PolarHBondContact O-N 3.26Å |
| 90 | N | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.2 | -45.9 | 175.9 | -78.9 | -14.6 | 0 | 0 | 0 | 110.6 | F15 P17 P66 D85 T87 D88 E92 E93 L94 | F15-N90 WeakPolarHBondContact CD1-OD1 3.36Å; F15-N90 WeakPolarHBondContact CE1-ND2 3.48Å; F15-N90 WeakPolarHBondContact CE1-OD1 3.37Å; P17-N90 WeakPolarHBondContact CG-OD1 3.48Å; P66-N90 HydrophobicContact CB-CB 4.47Å; P66-N90 WeakPolarHBondContact CD-OD1 3.3Å; D85-N90 HydrophobicContact CB-CB 4.22Å; D85-N90 VanDerWaalsContact OD1-CB 3.27Å; D85-N90 WeakPolarHBondContact OD1-CB 3.46Å; D85-N90 PolarHBondContact OD1-ND2 3.28Å; T87-N90 WeakPolarHBondContact CB-ND2 3.48Å; T87-N90 WeakPolarHBondContact O-CB 3.45Å; T87-N90 PolarHBondContact O-N 3.43Å; D88-N90 PolarHBondContact O-N 3.38Å; N90-E92 VanDerWaalsContact C-N 3.32Å; N90-E92 PolarHBondContact O-N 3.09Å; N90-E93 PolarHBondContact O-N 2.84Å; N90-E93 VanDerWaalsContact O-N 3.14Å; N90-L94 PolarHBondContact O-N 3.46Å |
| 91 | R | 98.9 | Very high | 98.9 | Very high | 43 Ų | 43 | 42.4 Ų | 42.4 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -38.3 | 176.2 | -58.1 | -165.4 | -52 | -78.3 | -4.1 | 112.1 | D85 F86 T87 D88 E93 L94 E95 V138 L139 | D85-R91 HydrophobicContact CB-CG 3.99Å; D85-R91 WeakPolarHBondContact O-CD 3.4Å; D85-R91 PolarHBondContact O-NH1 3.3Å; F86-R91 PolarHBondContact O-NH1 3.33Å; F86-R91 VanDerWaalsContact O-NH1 3.14Å; T87-R91 PolarHBondContact O-N 3.26Å; T87-R91 PolarHBondContact O-NH1 2.9Å; D88-R91 PolarHBondContact O-N 3.32Å; D88-R91 VanDerWaalsContact O-N 3.15Å; D88-R91 IonicContact OD1-CZ 3.75Å; D88-R91 VanDerWaalsContact OD1-CZ 3.24Å; D88-R91 IonicContact OD1-NH1 3.57Å; D88-R91 PolarHBondContact OD1-NH1 3.45Å; D88-R91 IonicContact OD1-NH2 3.65Å; D88-R91 PolarHBondContact OD1-NH2 2.85Å; R91-E93 VanDerWaalsContact C-N 3.34Å; R91-E93 PolarHBondContact O-N 3.3Å; R91-L94 PolarHBondContact O-N 3.35Å; R91-E95 WeakPolarHBondContact O-CB 3.44Å; R91-E95 VanDerWaalsContact O-CG 3.27Å; R91-E95 WeakPolarHBondContact O-CG 3.43Å; R91-E95 PolarHBondContact O-N 3.29Å; R91-V138 HydrophobicContact CB-CG1 3.74Å; R91-V138 HydrophobicContact CG-CG1 3.91Å; R91-L139 WeakPolarHBondContact CD-O 3.37Å |
| 92 | E | 98.9 | Very high | 98.8 | Very high | 115 Ų | 115 | 48.8 Ų | 48.8 | 54% | 0.537 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 172.6 | -69.6 | 172.5 | -174.5 | 0 | 0 | 112.3 | D88 R89 N90 E95 K96 | D88-E92 WeakPolarHBondContact O-CG 3.3Å; D88-E92 PolarHBondContact O-N 3.18Å; R89-E92 PolarHBondContact O-N 3.01Å; N90-E92 VanDerWaalsContact C-N 3.32Å; N90-E92 PolarHBondContact O-N 3.09Å; E92-E95 PolarHBondContact O-N 3.1Å; E92-K96 WeakPolarHBondContact O-CG 3.35Å; E92-K96 PolarHBondContact O-N 3.14Å; E92-K96 VanDerWaalsContact O-N 3.07Å |
| 93 | E | 98.9 | Very high | 98.7 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 9% | 0.093 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 175 | -76.3 | -56.8 | 142.7 | 0 | 0 | 113.5 | P17 R18 P66 R89 N90 R91 K96 W97 | P17-E93 HydrophobicContact CB-CB 4.2Å; P17-E93 HydrophobicContact CB-CG 3.37Å; P17-E93 HydrophobicContact CG-CG 3.8Å; R18-E93 IonicContact CZ-OE2 2.64Å; R18-E93 IonicContact NE-OE1 2.71Å; R18-E93 IonicContact NE-OE2 3.21Å; R18-E93 PolarHBondContact NE-OE2 3.5Å; R18-E93 IonicContact NH2-OE2 3.14Å; R18-E93 PolarHBondContact NH2-OE2 3.34Å; P66-E93 HydrophobicContact CB-CB 3.82Å; P66-E93 HydrophobicContact CB-CG 4.4Å; R89-E93 PolarHBondContact O-N 3.26Å; N90-E93 PolarHBondContact O-N 2.84Å; N90-E93 VanDerWaalsContact O-N 3.14Å; R91-E93 VanDerWaalsContact C-N 3.34Å; R91-E93 PolarHBondContact O-N 3.3Å; E93-K96 PolarHBondContact O-N 3.5Å; E93-K96 IonicContact OE1-NZ 3.3Å; E93-K96 PolarHBondContact OE1-NZ 2.84Å; E93-W97 PolarHBondContact O-N 3.34Å |
| 94 | L | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 172.5 | -68.2 | 176.1 | 0 | 0 | 0 | 110.9 | G65 T67 I68 L83 N90 R91 K96 W97 L98 V138 | G65-L94 VanDerWaalsContact O-CD1 3.32Å; G65-L94 WeakPolarHBondContact O-CD1 3.37Å; G65-L94 WeakPolarHBondContact O-CG 3.37Å; T67-L94 WeakPolarHBondContact O-CD2 3.44Å; I68-L94 HydrophobicContact CG2-CD2 3.74Å; L83-L94 HydrophobicContact CB-CD1 4.07Å; L83-L94 HydrophobicContact CD1-CD1 4.09Å; L83-L94 HydrophobicContact CD1-CD2 4.12Å; N90-L94 PolarHBondContact O-N 3.46Å; R91-L94 PolarHBondContact O-N 3.35Å; L94-K96 VanDerWaalsContact C-N 3.32Å; L94-K96 PolarHBondContact O-N 3.19Å; L94-W97 PolarHBondContact O-N 3.14Å; L94-W97 VanDerWaalsContact O-N 3.14Å; L94-L98 WeakPolarHBondContact O-CG 3.44Å; L94-L98 PolarHBondContact O-N 2.85Å; L94-V138 HydrophobicContact CB-CG1 4.4Å; L94-V138 HydrophobicContact CD1-CG1 3.99Å |
| 95 | E | 98.9 | Very high | 98.6 | Very high | 59 Ų | 59 | 54.5 Ų | 54.5 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.6 | -39.5 | 179.1 | -74.5 | -77.1 | 170.1 | 0 | 0 | 112.2 | R91 E92 W97 L98 K99 V138 | R91-E95 WeakPolarHBondContact O-CB 3.44Å; R91-E95 VanDerWaalsContact O-CG 3.27Å; R91-E95 WeakPolarHBondContact O-CG 3.43Å; R91-E95 PolarHBondContact O-N 3.29Å; E92-E95 PolarHBondContact O-N 3.1Å; E95-W97 VanDerWaalsContact C-N 3.35Å; E95-W97 PolarHBondContact O-N 3.49Å; E95-L98 PolarHBondContact O-N 3.41Å; E95-K99 WeakPolarHBondContact O-CB 3.5Å; E95-K99 WeakPolarHBondContact O-CG 3.39Å; E95-K99 PolarHBondContact O-N 3.01Å; E95-K99 WeakPolarHBondContact OE2-CE 3.49Å; E95-K99 IonicContact OE2-NZ 2.71Å; E95-K99 PolarHBondContact OE2-NZ 2.89Å; E95-V138 HydrophobicContact CG-CB 4.47Å; E95-V138 HydrophobicContact CG-CG2 4.36Å; E95-V138 WeakPolarHBondContact OE1-CB 3.37Å; E95-V138 WeakPolarHBondContact OE1-CG2 3.5Å |
| 96 | K | 98.8 | Very high | 98.6 | Very high | 65 Ų | 65 | 58.6 Ų | 58.6 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.9 | -47.3 | 173.7 | -72.5 | 172.3 | -170.1 | 174.3 | 0 | 111.7 | E92 E93 L94 K100 E101 A104 | E92-K96 WeakPolarHBondContact O-CG 3.35Å; E92-K96 PolarHBondContact O-N 3.14Å; E92-K96 VanDerWaalsContact O-N 3.07Å; E93-K96 PolarHBondContact O-N 3.5Å; E93-K96 IonicContact OE1-NZ 3.3Å; E93-K96 PolarHBondContact OE1-NZ 2.84Å; L94-K96 VanDerWaalsContact C-N 3.32Å; L94-K96 PolarHBondContact O-N 3.19Å; K96-K100 PolarHBondContact O-N 3.35Å; K96-E101 HydrophobicContact CB-CB 4.33Å; K96-E101 WeakPolarHBondContact CG-OE2 3.36Å; K96-E101 PolarHBondContact O-N 2.99Å; K96-A104 HydrophobicContact CB-CB 4.39Å |
| 97 | W | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 56.2 Ų | 56.2 | 3% | 0.027 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 179.9 | -176.6 | 85.7 | 0 | 0 | 0 | 112.6 | I68 E93 L94 E95 K99 K100 A104 Y105 W107 E128 L131 R132 | I68-W97 HydrophobicContact CD1-CH2 4.26Å; I68-W97 HydrophobicContact CD1-CZ2 4.03Å; I68-W97 HydrophobicContact CG1-CD2 4.23Å; I68-W97 HydrophobicContact CG1-CE3 4.35Å; I68-W97 HydrophobicContact CG1-CH2 4.34Å; I68-W97 HydrophobicContact CG1-CZ2 4.21Å; I68-W97 HydrophobicContact CG1-CZ3 4.4Å; I68-W97 HydrophobicContact CG2-CD2 4.42Å; I68-W97 HydrophobicContact CG2-CE3 3.96Å; I68-W97 HydrophobicContact CG2-CZ3 4.26Å; E93-W97 PolarHBondContact O-N 3.34Å; L94-W97 PolarHBondContact O-N 3.14Å; L94-W97 VanDerWaalsContact O-N 3.14Å; E95-W97 VanDerWaalsContact C-N 3.35Å; E95-W97 PolarHBondContact O-N 3.49Å; W97-K99 VanDerWaalsContact C-N 3.35Å; W97-K99 PolarHBondContact O-N 3.33Å; W97-K100 PolarHBondContact O-N 2.7Å; W97-A104 HydrophobicContact CB-CB 4.33Å; W97-Y105 VanDerWaalsContact CD1-O 3.32Å; W97-W107 AromaticContact CD1-CD1 3.59Å; W97-W107 AromaticContact NE1-CD1 3.65Å; W97-E128 HydrophobicContact CH2-CB 4.47Å; W97-E128 HydrophobicContact CZ2-CB 4.15Å; W97-E128 HydrophobicContact CZ2-CG 4.1Å; W97-L131 HydrophobicContact CH2-CB 4.32Å; W97-L131 HydrophobicContact CH2-CD2 3.82Å; W97-L131 HydrophobicContact CH2-CG 4.07Å; W97-L131 HydrophobicContact CZ3-CD2 4.16Å; W97-L131 HydrophobicContact CZ3-CG 4.21Å; W97-R132 HydrophobicContact CE3-CG 4.19Å; W97-R132 HydrophobicContact CH2-CG 3.77Å; W97-R132 HydrophobicContact CZ3-CG 3.55Å; W97-R132 PolarHBondContact O-NE 3.46Å |
| 98 | L | 98.9 | Very high | 98.5 | Very high | 33 Ų | 33 | 57.2 Ų | 57.2 | 17% | 0.173 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 177.3 | -70.5 | 168 | 0 | 0 | 0 | 112 | L94 E95 K100 R132 V135 V138 | L94-L98 WeakPolarHBondContact O-CG 3.44Å; L94-L98 PolarHBondContact O-N 2.85Å; E95-L98 PolarHBondContact O-N 3.41Å; L98-K100 VanDerWaalsContact C-N 3.31Å; L98-K100 PolarHBondContact O-N 2.89Å; L98-R132 HydrophobicContact CD2-CG 4.39Å; L98-V135 HydrophobicContact CD1-CG1 3.87Å; L98-V135 HydrophobicContact CD2-CB 3.82Å; L98-V135 HydrophobicContact CD2-CG1 3.94Å; L98-V135 HydrophobicContact CD2-CG2 4.14Å; L98-V138 HydrophobicContact CD1-CG2 3.44Å; L98-V138 VanDerWaalsContact CD1-CG2 3.44Å |
| 99 | K | 98.8 | Very high | 98.4 | Very high | 120 Ų | 120 | 56.8 Ų | 56.8 | 52% | 0.522 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -0.6 | 179.9 | -69.8 | 171.5 | -174.2 | 146.7 | 0 | 114.3 | E95 W97 E101 | E95-K99 WeakPolarHBondContact O-CB 3.5Å; E95-K99 WeakPolarHBondContact O-CG 3.39Å; E95-K99 PolarHBondContact O-N 3.01Å; E95-K99 WeakPolarHBondContact OE2-CE 3.49Å; E95-K99 IonicContact OE2-NZ 2.71Å; E95-K99 PolarHBondContact OE2-NZ 2.89Å; W97-K99 VanDerWaalsContact C-N 3.35Å; W97-K99 PolarHBondContact O-N 3.33Å; K99-E101 HydrophobicContact CB-CG 3.85Å; K99-E101 WeakPolarHBondContact CD-OE1 3.4Å; K99-E101 PolarHBondContact O-N 3.46Å |
| 100 | K | 98.6 | Very high | 98.3 | Very high | 118 Ų | 118 | 52.5 Ų | 52.5 | 51% | 0.513 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 38.4 | -174.1 | -53.7 | 177.9 | -179.1 | 180 | 0 | 112.3 | K96 W97 L98 E129 | K96-K100 PolarHBondContact O-N 3.35Å; W97-K100 PolarHBondContact O-N 2.7Å; L98-K100 VanDerWaalsContact C-N 3.31Å; L98-K100 PolarHBondContact O-N 2.89Å; K100-E129 WeakPolarHBondContact CE-OE1 3.34Å; K100-E129 WeakPolarHBondContact CE-OE2 3.46Å; K100-E129 IonicContact NZ-OE1 2.94Å; K100-E129 PolarHBondContact NZ-OE1 3.4Å; K100-E129 IonicContact NZ-OE2 2.9Å; K100-E129 PolarHBondContact NZ-OE2 3.46Å |
| 101 | E | 98.6 | Very high | 98.3 | Very high | 81 Ų | 81 | 52.3 Ų | 52.3 | 38% | 0.379 | 28% | 0.279 | S | S | . | . | trans | -69.6 | 147.1 | -180 | -73.5 | 178.5 | -172.3 | 0 | 0 | 111.2 | K96 K99 G103 A104 | K96-E101 HydrophobicContact CB-CB 4.33Å; K96-E101 WeakPolarHBondContact CG-OE2 3.36Å; K96-E101 PolarHBondContact O-N 2.99Å; K99-E101 HydrophobicContact CB-CG 3.85Å; K99-E101 WeakPolarHBondContact CD-OE1 3.4Å; K99-E101 PolarHBondContact O-N 3.46Å; E101-G103 PolarHBondContact O-N 2.98Å; E101-A104 VanDerWaalsContact O-CB 3.27Å; E101-A104 WeakPolarHBondContact O-CB 3.38Å; E101-A104 PolarHBondContact O-N 3.05Å | ||
| 102 | P | 97.8 | Very high | 98.2 | Very high | 133 Ų | 133 | 54.6 Ų | 54.6 | 86% | 0.864 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 132 | 170.9 | -26 | 34.9 | 0 | 0 | 0 | 111.4 | A104 | P102-A104 VanDerWaalsContact C-N 3.35Š|
| 103 | G | 96.4 | Very high | 98.2 | Very high | 58 Ų | 58 | 51.1 Ų | 51.1 | 60% | 0.598 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | 0.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R18 E101 | R18-G103 PolarHBondContact NH1-O 2.88Å; R18-G103 VanDerWaalsContact NH1-O 3.11Å; R18-G103 PolarHBondContact NH2-O 3.01Å; E101-G103 PolarHBondContact O-N 2.98Å |
| 104 | A | 98.3 | Very high | 98.1 | Very high | 29 Ų | 29 | 50.4 Ų | 50.4 | 24% | 0.24 | 27% | 0.271 | C | S | . | . | trans | -48.8 | 147.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K96 W97 E101 P102 | K96-A104 HydrophobicContact CB-CB 4.39Å; W97-A104 HydrophobicContact CB-CB 4.33Å; E101-A104 VanDerWaalsContact O-CB 3.27Å; E101-A104 WeakPolarHBondContact O-CB 3.38Å; E101-A104 PolarHBondContact O-N 3.05Å; P102-A104 VanDerWaalsContact C-N 3.35Å | ||
| 105 | Y | 98.3 | Very high | 98.1 | Very high | 35 Ų | 35 | 50.4 Ų | 50.4 | 14% | 0.137 | 27% | 0.271 | C | S | . | . | trans | -67.4 | 137.9 | -178.5 | -162.9 | -105.3 | 0 | 0 | 0 | 110.9 | R18 L21 Y25 S26 F27 W97 W107 | R18-Y105 VanDerWaalsContact NH2-N 3.19Å; L21-Y105 HydrophobicContact CB-CD2 4.01Å; L21-Y105 HydrophobicContact CB-CE1 4.28Å; L21-Y105 HydrophobicContact CB-CE2 3.66Å; L21-Y105 HydrophobicContact CB-CG 4.48Å; L21-Y105 HydrophobicContact CD1-CD1 4.27Å; L21-Y105 HydrophobicContact CD1-CD2 3.7Å; L21-Y105 HydrophobicContact CD1-CE2 4.24Å; L21-Y105 HydrophobicContact CD1-CG 3.72Å; L21-Y105 HydrophobicContact CD2-CD1 4.25Å; L21-Y105 HydrophobicContact CD2-CE1 4.32Å; L21-Y105 HydrophobicContact CG-CD2 4.38Å; L21-Y105 HydrophobicContact CG-CE2 4.48Å; L21-Y105 HydrophobicContact CG-CG 4.46Å; L21-Y105 PolarHBondContact O-OH 3.47Å; Y25-Y105 VanDerWaalsContact C-OH 3.27Å; Y25-Y105 WeakPolarHBondContact O-CE1 3.16Å; Y25-Y105 PolarHBondContact O-OH 3.1Å; S26-Y105 WeakPolarHBondContact CA-OH 3.42Å; F27-Y105 HydrophobicContact CD2-CE1 4.08Å; F27-Y105 AromaticContact CE2-CE1 4Å; F27-Y105 HydrophobicContact CE2-CE1 4Å; W97-Y105 VanDerWaalsContact CD1-O 3.32Å; Y105-W107 HydrophobicContact CD1-CD2 4.15Å; Y105-W107 AromaticContact CD1-CE2 3.77Å; Y105-W107 HydrophobicContact CD1-CG 4.3Å; Y105-W107 HydrophobicContact CD1-CZ2 4.15Å; Y105-W107 AromaticContact CD1-NE1 3.71Å; Y105-W107 PolarHBondContact O-N 2.91Å | ||
| 106 | D | 97.9 | Very high | 98 | Very high | 100 Ų | 100 | 53.3 Ų | 53.3 | 54% | 0.535 | 28% | 0.284 | S | S | . | . | trans | -81.7 | 101.2 | 179.1 | -174.6 | 5.5 | 0 | 0 | 0 | 110.2 | T108 | D106-T108 WeakPolarHBondContact OD1-CB 3.49Å; D106-T108 PolarHBondContact OD1-N 2.98Å; D106-T108 PolarHBondContact OD1-OG1 3.24Å | ||
| 107 | W | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.011 | 28% | 0.283 | C | S | . | . | trans | -89.9 | 1 | 176.4 | -74.7 | 98 | 0 | 0 | 0 | 113.2 | L21 Y25 F27 T67 I68 Y69 W97 Y105 P109 A110 V111 | L21-W107 HydrophobicContact CD2-CH2 3.97Å; L21-W107 HydrophobicContact CD2-CZ2 3.51Å; Y25-W107 AromaticContact CD1-CH2 3.99Å; Y25-W107 HydrophobicContact CD1-CH2 3.99Å; Y25-W107 HydrophobicContact CD1-CZ3 4.05Å; Y25-W107 HydrophobicContact CD2-CH2 4.4Å; Y25-W107 AromaticContact CG-CH2 3.9Å; Y25-W107 HydrophobicContact CG-CH2 3.9Å; Y25-W107 HydrophobicContact CG-CZ3 4.29Å; F27-W107 AromaticContact CE2-CE3 3.82Å; F27-W107 HydrophobicContact CE2-CE3 3.82Å; F27-W107 AromaticContact CE2-CZ3 3.95Å; F27-W107 HydrophobicContact CE2-CZ3 3.95Å; F27-W107 AromaticContact CZ-CE3 3.93Å; F27-W107 HydrophobicContact CZ-CE3 3.93Å; F27-W107 AromaticContact CZ-CZ3 3.88Å; F27-W107 HydrophobicContact CZ-CZ3 3.88Å; T67-W107 HydrophobicContact CG2-CH2 3.71Å; T67-W107 HydrophobicContact CG2-CZ2 3.93Å; I68-W107 HydrophobicContact CD1-CB 3.87Å; I68-W107 HydrophobicContact CD1-CD2 3.92Å; I68-W107 HydrophobicContact CD1-CE3 4.32Å; I68-W107 HydrophobicContact CD1-CG 3.71Å; I68-W107 HydrophobicContact CG1-CB 4.31Å; I68-W107 HydrophobicContact CG1-CD2 3.76Å; I68-W107 HydrophobicContact CG1-CE3 4.46Å; I68-W107 HydrophobicContact CG1-CG 3.65Å; Y69-W107 HydrophobicContact CD1-CH2 4.17Å; Y69-W107 HydrophobicContact CD1-CZ3 4.11Å; Y69-W107 HydrophobicContact CG-CZ3 4.43Å; W97-W107 AromaticContact CD1-CD1 3.59Å; W97-W107 AromaticContact NE1-CD1 3.65Å; Y105-W107 HydrophobicContact CD1-CD2 4.15Å; Y105-W107 AromaticContact CD1-CE2 3.77Å; Y105-W107 HydrophobicContact CD1-CG 4.3Å; Y105-W107 HydrophobicContact CD1-CZ2 4.15Å; Y105-W107 AromaticContact CD1-NE1 3.71Å; Y105-W107 PolarHBondContact O-N 2.91Å; W107-P109 VanDerWaalsContact C-N 3.28Å; W107-P109 VanDerWaalsContact O-N 3.09Å; W107-A110 HydrophobicContact CE3-CB 3.91Å; W107-A110 HydrophobicContact CZ3-CB 4.48Å; W107-A110 PolarHBondContact O-N 3.42Å; W107-V111 HydrophobicContact CB-CG2 4.11Å; W107-V111 VanDerWaalsContact O-CG2 3.25Å; W107-V111 WeakPolarHBondContact O-CG2 3.39Å; W107-V111 PolarHBondContact O-N 2.74Å | ||
| 108 | T | 97.6 | Very high | 97.9 | Very high | 23 Ų | 23 | 55.6 Ų | 55.6 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -47.5 | -43.4 | -175.6 | -57.6 | 0 | 0 | 0 | 0 | 113.3 | D106 V111 K112 W124 | D106-T108 WeakPolarHBondContact OD1-CB 3.49Å; D106-T108 PolarHBondContact OD1-N 2.98Å; D106-T108 PolarHBondContact OD1-OG1 3.24Å; T108-V111 PolarHBondContact O-N 2.81Å; T108-K112 HydrophobicContact CG2-CD 3.94Å; T108-K112 HydrophobicContact CG2-CG 4.26Å; T108-K112 WeakPolarHBondContact O-CB 3.25Å; T108-K112 WeakPolarHBondContact O-CG 3.38Å; T108-K112 PolarHBondContact O-N 2.58Å; T108-W124 HydrophobicContact CG2-CD2 4.01Å; T108-W124 HydrophobicContact CG2-CE3 3.79Å; T108-W124 HydrophobicContact CG2-CH2 4.02Å; T108-W124 HydrophobicContact CG2-CZ2 4.23Å; T108-W124 HydrophobicContact CG2-CZ3 3.8Å |
| 109 | P | 96.6 | Very high | 97.8 | Very high | 54 Ų | 54 | 57.3 Ų | 57.3 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 180 | -24.5 | 38.6 | 0 | 0 | 0 | 113.3 | F27 W107 F113 | F27-P109 HydrophobicContact CB-CB 3.8Å; F27-P109 HydrophobicContact CB-CG 3.66Å; F27-P109 HydrophobicContact CD1-CB 3.63Å; F27-P109 HydrophobicContact CD1-CG 4.32Å; F27-P109 HydrophobicContact CD2-CB 4.46Å; F27-P109 HydrophobicContact CD2-CG 4.39Å; F27-P109 HydrophobicContact CE1-CB 4.31Å; F27-P109 HydrophobicContact CG-CB 3.73Å; F27-P109 HydrophobicContact CG-CG 3.9Å; W107-P109 VanDerWaalsContact C-N 3.28Å; W107-P109 VanDerWaalsContact O-N 3.09Å; P109-F113 PolarHBondContact O-N 2.8Å; P109-F113 VanDerWaalsContact O-N 3.11Å |
| 110 | A | 97.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F27 L42 L72 W107 K112 F113 A114 | F27-A110 HydrophobicContact CE1-CB 3.83Å; F27-A110 HydrophobicContact CE2-CB 4.38Å; F27-A110 HydrophobicContact CZ-CB 3.55Å; L42-A110 HydrophobicContact CD1-CB 4.49Å; L72-A110 HydrophobicContact CD1-CB 4.26Å; W107-A110 HydrophobicContact CE3-CB 3.91Å; W107-A110 HydrophobicContact CZ3-CB 4.48Å; W107-A110 PolarHBondContact O-N 3.42Å; A110-K112 VanDerWaalsContact C-N 3.34Å; A110-F113 PolarHBondContact O-N 3.49Å; A110-A114 WeakPolarHBondContact O-CB 3.44Å; A110-A114 PolarHBondContact O-N 3.34Å |
| 111 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | -179.4 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | L72 W107 T108 F113 A114 C115 W124 K127 E128 | L72-V111 HydrophobicContact CD1-CG2 4.37Å; L72-V111 HydrophobicContact CD2-CB 4.43Å; L72-V111 HydrophobicContact CD2-CG1 4.34Å; L72-V111 HydrophobicContact CD2-CG2 3.83Å; W107-V111 HydrophobicContact CB-CG2 4.11Å; W107-V111 VanDerWaalsContact O-CG2 3.25Å; W107-V111 WeakPolarHBondContact O-CG2 3.39Å; W107-V111 PolarHBondContact O-N 2.74Å; T108-V111 PolarHBondContact O-N 2.81Å; V111-F113 VanDerWaalsContact C-N 3.35Å; V111-F113 PolarHBondContact O-N 3.02Å; V111-A114 PolarHBondContact O-N 2.97Å; V111-C115 WeakPolarHBondContact O-CB 3.31Å; V111-C115 PolarHBondContact O-N 2.8Å; V111-C115 PolarHBondContact O-SG 3.21Å; V111-C115 VanDerWaalsContact O-SG 3.38Å; V111-W124 HydrophobicContact CB-CB 4.36Å; V111-W124 HydrophobicContact CG1-CB 3.73Å; V111-W124 VanDerWaalsContact CG1-O 3.28Å; V111-W124 WeakPolarHBondContact CG1-O 3.39Å; V111-K127 HydrophobicContact CG1-CB 3.94Å; V111-K127 HydrophobicContact CG1-CG 3.76Å; V111-E128 HydrophobicContact CB-CG 4.38Å; V111-E128 HydrophobicContact CG1-CG 3.86Å; V111-E128 HydrophobicContact CG2-CG 3.86Å |
| 112 | K | 98 | Very high | 96.9 | Very high | 90 Ų | 90 | 51.3 Ų | 51.3 | 39% | 0.391 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 174.8 | -78.6 | 178.3 | 177.5 | 174 | 0 | 112.3 | T108 A110 C115 E116 S121 W124 | T108-K112 HydrophobicContact CG2-CD 3.94Å; T108-K112 HydrophobicContact CG2-CG 4.26Å; T108-K112 WeakPolarHBondContact O-CB 3.25Å; T108-K112 WeakPolarHBondContact O-CG 3.38Å; T108-K112 PolarHBondContact O-N 2.58Å; A110-K112 VanDerWaalsContact C-N 3.34Å; K112-C115 PolarHBondContact O-N 2.78Å; K112-E116 WeakPolarHBondContact O-CB 3.24Å; K112-E116 PolarHBondContact O-N 3.2Å; K112-S121 WeakPolarHBondContact O-CB 3.49Å; K112-W124 HydrophobicContact CD-CG 4.48Å; K112-W124 HydrophobicContact CG-CB 3.75Å; K112-W124 HydrophobicContact CG-CD2 4.35Å; K112-W124 HydrophobicContact CG-CG 3.67Å |
| 113 | F | 97.1 | Very high | 96.9 | Very high | 43 Ų | 43 | 51 Ų | 51 | 19% | 0.189 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 177 | -173.1 | -98.7 | 0 | 0 | 0 | 111.9 | K39 L42 P109 A110 V111 C115 E116 L117 | K39-F113 HydrophobicContact CB-CE1 4.07Å; K39-F113 HydrophobicContact CB-CZ 4.01Å; K39-F113 HydrophobicContact CD-CE2 4.39Å; K39-F113 HydrophobicContact CD-CZ 4.23Å; K39-F113 HydrophobicContact CG-CE1 3.94Å; K39-F113 HydrophobicContact CG-CE2 4.15Å; K39-F113 HydrophobicContact CG-CZ 3.72Å; L42-F113 HydrophobicContact CB-CD1 3.93Å; L42-F113 HydrophobicContact CB-CE1 3.98Å; L42-F113 HydrophobicContact CD1-CB 4.45Å; L42-F113 HydrophobicContact CD1-CD1 3.57Å; L42-F113 HydrophobicContact CD1-CE1 4.32Å; L42-F113 HydrophobicContact CD1-CG 4.43Å; L42-F113 HydrophobicContact CG-CD1 4.39Å; P109-F113 PolarHBondContact O-N 2.8Å; P109-F113 VanDerWaalsContact O-N 3.11Å; A110-F113 PolarHBondContact O-N 3.49Å; V111-F113 VanDerWaalsContact C-N 3.35Å; V111-F113 PolarHBondContact O-N 3.02Å; F113-C115 VanDerWaalsContact C-N 3.32Å; F113-C115 PolarHBondContact O-N 3.45Å; F113-E116 WeakPolarHBondContact O-CB 3.44Å; F113-E116 PolarHBondContact O-N 3.13Å; F113-E116 VanDerWaalsContact O-N 3.11Å; F113-L117 HydrophobicContact CD1-CD1 4.07Å; F113-L117 HydrophobicContact CD1-CG 4.35Å; F113-L117 HydrophobicContact CE1-CD1 3.74Å; F113-L117 HydrophobicContact CE1-CD2 4.29Å; F113-L117 HydrophobicContact CE1-CG 4.07Å; F113-L117 HydrophobicContact CZ-CD2 4.26Å; F113-L117 HydrophobicContact CZ-CG 4.46Å; F113-L117 WeakPolarHBondContact O-CG 3.13Å; F113-L117 PolarHBondContact O-N 3.41Å |
| 114 | A | 98.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L42 L72 A110 V111 E116 L117 E118 | L42-A114 HydrophobicContact CD2-CB 4.42Å; L72-A114 HydrophobicContact CB-CB 3.91Å; L72-A114 HydrophobicContact CD1-CB 3.85Å; L72-A114 HydrophobicContact CG-CB 4.46Å; A110-A114 WeakPolarHBondContact O-CB 3.44Å; A110-A114 PolarHBondContact O-N 3.34Å; V111-A114 PolarHBondContact O-N 2.97Å; A114-E116 VanDerWaalsContact C-N 3.32Å; A114-E116 PolarHBondContact O-N 3.25Å; A114-L117 WeakPolarHBondContact O-CB 3.4Å; A114-L117 PolarHBondContact O-N 3.09Å; A114-E118 WeakPolarHBondContact O-CG 3.49Å; A114-E118 PolarHBondContact O-N 3.19Å; A114-E118 VanDerWaalsContact O-N 3.1Å |
| 115 | C | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.007 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.6 | -29 | 175.4 | -70.7 | 0 | 0 | 0 | 0 | 113.4 | V111 K112 F113 E118 G119 N120 S121 K127 | V111-C115 WeakPolarHBondContact O-CB 3.31Å; V111-C115 PolarHBondContact O-N 2.8Å; V111-C115 PolarHBondContact O-SG 3.21Å; V111-C115 VanDerWaalsContact O-SG 3.38Å; K112-C115 PolarHBondContact O-N 2.78Å; F113-C115 VanDerWaalsContact C-N 3.32Å; F113-C115 PolarHBondContact O-N 3.45Å; C115-E118 CarbonylContact O-C 3.59Å; C115-E118 WeakPolarHBondContact O-CB 3.27Å; C115-E118 PolarHBondContact O-N 2.7Å; C115-G119 PolarHBondContact O-N 2.69Å; C115-N120 WeakPolarHBondContact CB-O 3.48Å; C115-N120 CarbonylContact O-C 3.49Å; C115-N120 PolarHBondContact O-N 2.58Å; C115-S121 PolarHBondContact O-N 2.83Å; C115-K127 WeakPolarHBondContact SG-CB 3.43Å |
| 116 | E | 97.9 | Very high | 97 | Very high | 121 Ų | 121 | 58.7 Ų | 58.7 | 57% | 0.565 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.3 | -44.3 | 171.9 | -171.5 | 178.8 | 168.4 | 0 | 0 | 111.2 | K112 F113 A114 E118 G119 | K112-E116 WeakPolarHBondContact O-CB 3.24Å; K112-E116 PolarHBondContact O-N 3.2Å; F113-E116 WeakPolarHBondContact O-CB 3.44Å; F113-E116 PolarHBondContact O-N 3.13Å; F113-E116 VanDerWaalsContact O-N 3.11Å; A114-E116 VanDerWaalsContact C-N 3.32Å; A114-E116 PolarHBondContact O-N 3.25Å; E116-E118 PolarHBondContact O-N 3.2Å; E116-G119 WeakPolarHBondContact O-CA 3.09Å; E116-G119 PolarHBondContact O-N 3.17Å |
| 117 | L | 97.8 | Very high | 97 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.4 | -35 | 172.9 | -63 | 174.1 | 0 | 0 | 0 | 111.5 | L42 E43 H46 F113 A114 G119 | L42-L117 HydrophobicContact CB-CD1 4.13Å; E43-L117 HydrophobicContact CG-CD1 4.21Å; E43-L117 HydrophobicContact CG-CD2 4.08Å; H46-L117 HydrophobicContact CB-CB 4.15Å; H46-L117 HydrophobicContact CB-CD1 3.93Å; H46-L117 PolarHBondContact CE1-O 3.33Å; H46-L117 PolarHBondContact NE2-O 2.85Å; F113-L117 HydrophobicContact CD1-CD1 4.07Å; F113-L117 HydrophobicContact CD1-CG 4.35Å; F113-L117 HydrophobicContact CE1-CD1 3.74Å; F113-L117 HydrophobicContact CE1-CD2 4.29Å; F113-L117 HydrophobicContact CE1-CG 4.07Å; F113-L117 HydrophobicContact CZ-CD2 4.26Å; F113-L117 HydrophobicContact CZ-CG 4.46Å; F113-L117 WeakPolarHBondContact O-CG 3.13Å; F113-L117 PolarHBondContact O-N 3.41Å; A114-L117 WeakPolarHBondContact O-CB 3.4Å; A114-L117 PolarHBondContact O-N 3.09Å; L117-G119 PolarHBondContact O-N 2.91Å |
| 118 | E | 97 | Very high | 97 | Very high | 70 Ų | 70 | 55 Ų | 55 | 33% | 0.327 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -1 | 173 | -63.7 | 163 | -170.5 | 0 | 0 | 113.7 | A114 C115 E116 K127 | A114-E118 WeakPolarHBondContact O-CG 3.49Å; A114-E118 PolarHBondContact O-N 3.19Å; A114-E118 VanDerWaalsContact O-N 3.1Å; C115-E118 CarbonylContact O-C 3.59Å; C115-E118 WeakPolarHBondContact O-CB 3.27Å; C115-E118 PolarHBondContact O-N 2.7Å; E116-E118 PolarHBondContact O-N 3.2Å; E118-K127 IonicContact OE1-NZ 2.94Å |
| 119 | G | 96.6 | Very high | 97.1 | Very high | 69 Ų | 69 | 57.9 Ų | 57.9 | 71% | 0.711 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | 2.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | C115 E116 L117 | C115-G119 PolarHBondContact O-N 2.69Å; E116-G119 WeakPolarHBondContact O-CA 3.09Å; E116-G119 PolarHBondContact O-N 3.17Å; L117-G119 PolarHBondContact O-N 2.91Å |
| 120 | N | 92.9 | Very high | 97.2 | Very high | 85 Ų | 85 | 59.5 Ų | 59.5 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | trans | -155.9 | 90.7 | 176.3 | -173 | -7 | 0 | 0 | 0 | 113.4 | C115 G122 R123 | C115-N120 WeakPolarHBondContact CB-O 3.48Å; C115-N120 CarbonylContact O-C 3.49Å; C115-N120 PolarHBondContact O-N 2.58Å; N120-G122 PolarHBondContact O-N 2.91Å; N120-G122 VanDerWaalsContact O-N 3.09Å; N120-G122 WeakPolarHBondContact OD1-CA 3.36Å; N120-G122 PolarHBondContact OD1-N 3.19Å; N120-R123 PolarHBondContact O-N 3.38Å | ||
| 121 | S | 92.5 | Very high | 97.3 | Very high | 55 Ų | 55 | 59.4 Ų | 59.4 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -62.3 | -16.1 | 176.8 | 62 | 0 | 0 | 0 | 0 | 114.8 | K112 C115 R123 | K112-S121 WeakPolarHBondContact O-CB 3.49Å; C115-S121 PolarHBondContact O-N 2.83Å; S121-R123 PolarHBondContact O-N 3.26Å |
| 122 | G | 92.8 | Very high | 97.3 | Very high | 54 Ų | 54 | 61.2 Ų | 61.2 | 56% | 0.557 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -70.6 | -14.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N120 W124 | N120-G122 PolarHBondContact O-N 2.91Å; N120-G122 VanDerWaalsContact O-N 3.09Å; N120-G122 WeakPolarHBondContact OD1-CA 3.36Å; N120-G122 PolarHBondContact OD1-N 3.19Å; G122-W124 VanDerWaalsContact C-N 3.35Å |
| 123 | R | 96.1 | Very high | 97.3 | Very high | 127 Ų | 127 | 60 Ų | 60 | 48% | 0.479 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -93.5 | 15.6 | -179 | -65.6 | 178.2 | 68.5 | -164 | 2.7 | 114.1 | N120 S121 E125 E126 K127 | N120-R123 PolarHBondContact O-N 3.38Å; S121-R123 PolarHBondContact O-N 3.26Å; R123-E125 VanDerWaalsContact C-N 3.31Å; R123-E125 PolarHBondContact O-N 2.97Å; R123-E126 IonicContact CZ-OE1 3.86Å; R123-E126 IonicContact CZ-OE2 3.92Å; R123-E126 VanDerWaalsContact CZ-OE2 3.25Å; R123-E126 IonicContact NE-OE2 2.7Å; R123-E126 PolarHBondContact NE-OE2 3.17Å; R123-E126 IonicContact NH2-OE1 2.75Å; R123-E126 PolarHBondContact NH2-OE1 2.86Å; R123-E126 IonicContact NH2-OE2 2.72Å; R123-E126 PolarHBondContact NH2-OE2 2.91Å; R123-E126 WeakPolarHBondContact O-CB 3.21Å; R123-E126 PolarHBondContact O-N 2.99Å; R123-E126 VanDerWaalsContact O-N 3.09Å; R123-K127 PolarHBondContact O-N 3.32Å |
| 124 | W | 98.2 | Very high | 97.4 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 21% | 0.208 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.3 | -37.3 | -174.6 | 69.5 | -86.8 | 0 | 0 | 0 | 113.4 | T108 V111 K112 G122 E126 K127 E128 | T108-W124 HydrophobicContact CG2-CD2 4.01Å; T108-W124 HydrophobicContact CG2-CE3 3.79Å; T108-W124 HydrophobicContact CG2-CH2 4.02Å; T108-W124 HydrophobicContact CG2-CZ2 4.23Å; T108-W124 HydrophobicContact CG2-CZ3 3.8Å; V111-W124 HydrophobicContact CB-CB 4.36Å; V111-W124 HydrophobicContact CG1-CB 3.73Å; V111-W124 VanDerWaalsContact CG1-O 3.28Å; V111-W124 WeakPolarHBondContact CG1-O 3.39Å; K112-W124 HydrophobicContact CD-CG 4.48Å; K112-W124 HydrophobicContact CG-CB 3.75Å; K112-W124 HydrophobicContact CG-CD2 4.35Å; K112-W124 HydrophobicContact CG-CG 3.67Å; G122-W124 VanDerWaalsContact C-N 3.35Å; W124-E126 PolarHBondContact O-N 3.46Å; W124-K127 WeakPolarHBondContact O-CB 3.28Å; W124-K127 PolarHBondContact O-N 3.33Å; W124-E128 HydrophobicContact CE3-CG 4.43Å; W124-E128 WeakPolarHBondContact O-CG 3.46Å; W124-E128 PolarHBondContact O-N 3.11Å |
| 125 | E | 98.4 | Very high | 97.4 | Very high | 127 Ų | 127 | 58.8 Ų | 58.8 | 59% | 0.593 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64 | -42.1 | 176.1 | -65.8 | -179.9 | 126.2 | 0 | 0 | 111.9 | R123 K127 E128 E129 | R123-E125 VanDerWaalsContact C-N 3.31Å; R123-E125 PolarHBondContact O-N 2.97Å; E125-K127 VanDerWaalsContact C-N 3.32Å; E125-K127 PolarHBondContact O-N 2.87Å; E125-E128 PolarHBondContact O-N 3.16Å; E125-E129 WeakPolarHBondContact O-CG 3.18Å; E125-E129 PolarHBondContact O-N 3.42Å; E125-E129 VanDerWaalsContact O-N 3.09Å |
| 126 | E | 98.6 | Very high | 97.5 | Very high | 100 Ų | 100 | 63.7 Ų | 63.7 | 47% | 0.467 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 175.7 | -173 | -168.8 | 160.2 | 0 | 0 | 111 | R123 W124 E129 K130 | R123-E126 IonicContact CZ-OE1 3.86Å; R123-E126 IonicContact CZ-OE2 3.92Å; R123-E126 VanDerWaalsContact CZ-OE2 3.25Å; R123-E126 IonicContact NE-OE2 2.7Å; R123-E126 PolarHBondContact NE-OE2 3.17Å; R123-E126 IonicContact NH2-OE1 2.75Å; R123-E126 PolarHBondContact NH2-OE1 2.86Å; R123-E126 IonicContact NH2-OE2 2.72Å; R123-E126 PolarHBondContact NH2-OE2 2.91Å; R123-E126 WeakPolarHBondContact O-CB 3.21Å; R123-E126 PolarHBondContact O-N 2.99Å; R123-E126 VanDerWaalsContact O-N 3.09Å; W124-E126 PolarHBondContact O-N 3.46Å; E126-E129 PolarHBondContact O-N 2.91Å; E126-K130 VanDerWaalsContact O-CB 3.3Å; E126-K130 WeakPolarHBondContact O-CB 3.33Å; E126-K130 PolarHBondContact O-N 3.26Å |
| 127 | K | 98.8 | Very high | 97.5 | Very high | 8 Ų | 8 | 61.7 Ų | 61.7 | 4% | 0.035 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 176.2 | 175.4 | 86.6 | -63.1 | -165.8 | 0 | 111.6 | L72 C75 D76 V111 C115 E118 R123 W124 E125 K130 L131 | L72-K127 HydrophobicContact CD2-CG 4.16Å; L72-K127 WeakPolarHBondContact O-CE 3.37Å; L72-K127 PolarHBondContact O-NZ 3.01Å; C75-K127 WeakPolarHBondContact SG-CE 3.39Å; C75-K127 PolarHBondContact SG-NZ 3.24Å; D76-K127 IonicContact OD1-NZ 2.72Å; D76-K127 PolarHBondContact OD1-NZ 3.38Å; D76-K127 IonicContact OD2-NZ 3.24Å; D76-K127 PolarHBondContact OD2-NZ 2.87Å; V111-K127 HydrophobicContact CG1-CB 3.94Å; V111-K127 HydrophobicContact CG1-CG 3.76Å; C115-K127 WeakPolarHBondContact SG-CB 3.43Å; E118-K127 IonicContact OE1-NZ 2.94Å; R123-K127 PolarHBondContact O-N 3.32Å; W124-K127 WeakPolarHBondContact O-CB 3.28Å; W124-K127 PolarHBondContact O-N 3.33Å; E125-K127 VanDerWaalsContact C-N 3.32Å; E125-K127 PolarHBondContact O-N 2.87Å; K127-K130 PolarHBondContact O-N 3.11Å; K127-L131 WeakPolarHBondContact O-CB 3.49Å; K127-L131 PolarHBondContact O-N 3.21Å |
| 128 | E | 98.8 | Very high | 97.6 | Very high | 19 Ų | 19 | 60.4 Ų | 60.4 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 176.4 | -65.9 | -156.1 | 144.8 | 0 | 0 | 111.9 | W97 V111 W124 E125 K130 L131 R132 | W97-E128 HydrophobicContact CH2-CB 4.47Å; W97-E128 HydrophobicContact CZ2-CB 4.15Å; W97-E128 HydrophobicContact CZ2-CG 4.1Å; V111-E128 HydrophobicContact CB-CG 4.38Å; V111-E128 HydrophobicContact CG1-CG 3.86Å; V111-E128 HydrophobicContact CG2-CG 3.86Å; W124-E128 HydrophobicContact CE3-CG 4.43Å; W124-E128 WeakPolarHBondContact O-CG 3.46Å; W124-E128 PolarHBondContact O-N 3.11Å; E125-E128 PolarHBondContact O-N 3.16Å; E128-K130 VanDerWaalsContact C-N 3.32Å; E128-K130 PolarHBondContact O-N 2.88Å; E128-L131 PolarHBondContact O-N 3.29Å; E128-R132 VanDerWaalsContact CB-NH1 3.3Å; E128-R132 WeakPolarHBondContact O-CG 3.39Å; E128-R132 PolarHBondContact O-N 3.13Å; E128-R132 IonicContact OE1-NH2 3.25Å; E128-R132 IonicContact OE2-CZ 3.69Å; E128-R132 VanDerWaalsContact OE2-CZ 3.3Å; E128-R132 IonicContact OE2-NH1 3.52Å; E128-R132 PolarHBondContact OE2-NH1 3.41Å; E128-R132 IonicContact OE2-NH2 2.9Å; E128-R132 PolarHBondContact OE2-NH2 2.97Å |
| 129 | E | 98.8 | Very high | 97.7 | Very high | 83 Ų | 83 | 58.9 Ų | 58.9 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 178.7 | -67.8 | -52 | 111.4 | 0 | 0 | 112 | K100 E125 E126 L131 R132 A133 | K100-E129 WeakPolarHBondContact CE-OE1 3.34Å; K100-E129 WeakPolarHBondContact CE-OE2 3.46Å; K100-E129 IonicContact NZ-OE1 2.94Å; K100-E129 PolarHBondContact NZ-OE1 3.4Å; K100-E129 IonicContact NZ-OE2 2.9Å; K100-E129 PolarHBondContact NZ-OE2 3.46Å; E125-E129 WeakPolarHBondContact O-CG 3.18Å; E125-E129 PolarHBondContact O-N 3.42Å; E125-E129 VanDerWaalsContact O-N 3.09Å; E126-E129 PolarHBondContact O-N 2.91Å; E129-L131 VanDerWaalsContact C-N 3.34Å; E129-L131 PolarHBondContact O-N 3.03Å; E129-R132 PolarHBondContact O-N 3.4Å; E129-R132 IonicContact OE1-CZ 3.47Å; E129-R132 IonicContact OE1-NH1 2.68Å; E129-R132 PolarHBondContact OE1-NH1 3.32Å; E129-A133 WeakPolarHBondContact O-CB 3.24Å; E129-A133 PolarHBondContact O-N 3.29Å |
| 130 | K | 98.8 | Very high | 97.8 | Very high | 87 Ų | 87 | 58.8 Ų | 58.8 | 38% | 0.378 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 175.8 | -174.6 | 174.2 | -176 | -179.7 | 0 | 111.2 | C75 D76 E126 K127 E128 A133 A134 | C75-K130 WeakPolarHBondContact O-CE 3.38Å; D76-K130 WeakPolarHBondContact OD1-CD 3.47Å; D76-K130 VanDerWaalsContact OD1-CE 3.23Å; D76-K130 WeakPolarHBondContact OD1-CE 3.47Å; D76-K130 IonicContact OD1-NZ 3.45Å; D76-K130 PolarHBondContact OD1-NZ 2.83Å; E126-K130 VanDerWaalsContact O-CB 3.3Å; E126-K130 WeakPolarHBondContact O-CB 3.33Å; E126-K130 PolarHBondContact O-N 3.26Å; K127-K130 PolarHBondContact O-N 3.11Å; E128-K130 VanDerWaalsContact C-N 3.32Å; E128-K130 PolarHBondContact O-N 2.88Å; K130-A133 PolarHBondContact O-N 3.17Å; K130-A134 WeakPolarHBondContact O-CB 3.3Å; K130-A134 PolarHBondContact O-N 2.97Å |
| 131 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 176.5 | 175.6 | 56.1 | 0 | 0 | 0 | 111.7 | I68 V71 L72 C75 I81 W97 K127 E128 E129 A133 A134 V135 | I68-L131 HydrophobicContact CB-CD2 4.14Å; I68-L131 HydrophobicContact CD1-CD2 4.01Å; V71-L131 HydrophobicContact CB-CD1 4.01Å; V71-L131 HydrophobicContact CG2-CD1 3.56Å; V71-L131 HydrophobicContact CG2-CD2 4Å; V71-L131 HydrophobicContact CG2-CG 4.41Å; L72-L131 HydrophobicContact CD2-CD2 3.8Å; L72-L131 HydrophobicContact CG-CD2 4.42Å; C75-L131 HydrophobicContact CB-CB 4.31Å; C75-L131 HydrophobicContact CB-CD1 3.84Å; I81-L131 HydrophobicContact CD1-CD1 4.18Å; W97-L131 HydrophobicContact CH2-CB 4.32Å; W97-L131 HydrophobicContact CH2-CD2 3.82Å; W97-L131 HydrophobicContact CH2-CG 4.07Å; W97-L131 HydrophobicContact CZ3-CD2 4.16Å; W97-L131 HydrophobicContact CZ3-CG 4.21Å; K127-L131 WeakPolarHBondContact O-CB 3.49Å; K127-L131 PolarHBondContact O-N 3.21Å; E128-L131 PolarHBondContact O-N 3.29Å; E129-L131 VanDerWaalsContact C-N 3.34Å; E129-L131 PolarHBondContact O-N 3.03Å; L131-A133 PolarHBondContact O-N 3.19Å; L131-A134 PolarHBondContact O-N 2.86Å; L131-V135 HydrophobicContact CD1-CG2 3.88Å; L131-V135 HydrophobicContact CG-CG2 4.49Å; L131-V135 WeakPolarHBondContact O-CG2 3.12Å; L131-V135 PolarHBondContact O-N 3.26Å |
| 132 | R | 98.9 | Very high | 98.4 | Very high | 38 Ų | 38 | 54.3 Ų | 54.3 | 14% | 0.143 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.1 | -40.4 | 176 | -71.7 | 179.9 | -175.1 | 104.8 | 13.8 | 111.5 | W97 L98 E128 E129 | W97-R132 HydrophobicContact CE3-CG 4.19Å; W97-R132 HydrophobicContact CH2-CG 3.77Å; W97-R132 HydrophobicContact CZ3-CG 3.55Å; W97-R132 PolarHBondContact O-NE 3.46Å; L98-R132 HydrophobicContact CD2-CG 4.39Å; E128-R132 VanDerWaalsContact CB-NH1 3.3Å; E128-R132 WeakPolarHBondContact O-CG 3.39Å; E128-R132 PolarHBondContact O-N 3.13Å; E128-R132 IonicContact OE1-NH2 3.25Å; E128-R132 IonicContact OE2-CZ 3.69Å; E128-R132 VanDerWaalsContact OE2-CZ 3.3Å; E128-R132 IonicContact OE2-NH1 3.52Å; E128-R132 PolarHBondContact OE2-NH1 3.41Å; E128-R132 IonicContact OE2-NH2 2.9Å; E128-R132 PolarHBondContact OE2-NH2 2.97Å; E129-R132 PolarHBondContact O-N 3.4Å; E129-R132 IonicContact OE1-CZ 3.47Å; E129-R132 IonicContact OE1-NH1 2.68Å; E129-R132 PolarHBondContact OE1-NH1 3.32Å |
| 133 | A | 98.9 | Very high | 98.7 | Very high | 64 Ų | 64 | 52.3 Ų | 52.3 | 53% | 0.529 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.6 | -33.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E129 K130 L131 K136 | E129-A133 WeakPolarHBondContact O-CB 3.24Å; E129-A133 PolarHBondContact O-N 3.29Å; K130-A133 PolarHBondContact O-N 3.17Å; L131-A133 PolarHBondContact O-N 3.19Å; A133-K136 PolarHBondContact O-NZ 2.97Å |
| 134 | A | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 5% | 0.05 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.7 | -34.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C75 I81 K130 L131 K136 | C75-A134 HydrophobicContact CB-CB 3.86Å; I81-A134 HydrophobicContact CD1-CB 4.01Å; I81-A134 HydrophobicContact CG1-CB 4.25Å; I81-A134 PolarHBondContact N-O 2.84Å; K130-A134 WeakPolarHBondContact O-CB 3.3Å; K130-A134 PolarHBondContact O-N 2.97Å; L131-A134 PolarHBondContact O-N 2.86Å; A134-K136 WeakPolarHBondContact O-CE 3.06Å; A134-K136 WeakPolarHBondContact O-CG 3.36Å; A134-K136 PolarHBondContact O-N 3.48Å |
| 135 | V | 98.9 | Very high | 98.8 | Very high | 16 Ų | 16 | 51.8 Ų | 51.8 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 112 | 175.7 | 178.7 | 0 | 0 | 0 | 0 | 110 | I81 L83 L98 L131 | I81-V135 HydrophobicContact CB-CG2 4.23Å; I81-V135 HydrophobicContact CG2-CG2 4.14Å; I81-V135 CarbonylContact O-C 3.53Å; I81-V135 WeakPolarHBondContact O-CA 3.33Å; L83-V135 HydrophobicContact CD1-CG1 4.12Å; L83-V135 HydrophobicContact CD1-CG2 4.1Å; L83-V135 HydrophobicContact CG-CG1 4.03Å; L83-V135 HydrophobicContact CG-CG2 4.16Å; L98-V135 HydrophobicContact CD1-CG1 3.87Å; L98-V135 HydrophobicContact CD2-CB 3.82Å; L98-V135 HydrophobicContact CD2-CG1 3.94Å; L98-V135 HydrophobicContact CD2-CG2 4.14Å; L131-V135 HydrophobicContact CD1-CG2 3.88Å; L131-V135 HydrophobicContact CG-CG2 4.49Å; L131-V135 WeakPolarHBondContact O-CG2 3.12Å; L131-V135 PolarHBondContact O-N 3.26Å |
| 136 | K | 98.9 | Very high | 98.8 | Very high | 105 Ų | 105 | 48.2 Ų | 48.2 | 46% | 0.457 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -22.6 | -176.9 | -55 | -49.6 | 178.9 | -176.2 | 0 | 113.5 | Q79 D80 I81 A133 A134 | Q79-K136 WeakPolarHBondContact O-CE 2.9Å; Q79-K136 PolarHBondContact O-NZ 3.43Å; D80-K136 HydrophobicContact CB-CG 4.05Å; D80-K136 WeakPolarHBondContact OD1-CG 3.39Å; D80-K136 WeakPolarHBondContact OD2-CG 3.21Å; I81-K136 PolarHBondContact O-N 3.1Å; A133-K136 PolarHBondContact O-NZ 2.97Å; A134-K136 WeakPolarHBondContact O-CE 3.06Å; A134-K136 WeakPolarHBondContact O-CG 3.36Å; A134-K136 PolarHBondContact O-N 3.48Å |
| 137 | R | 98.8 | Very high | 98.8 | Very high | 79 Ų | 79 | 45.8 Ų | 45.8 | 30% | 0.298 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 148.8 | -175.7 | 58.6 | -159.5 | 76.2 | 79.6 | -0.4 | 111.9 | D80 T82 L83 L139 | D80-R137 IonicContact OD1-CZ 3.29Å; D80-R137 IonicContact OD1-NH1 3.68Å; D80-R137 PolarHBondContact OD1-NH1 2.75Å; D80-R137 IonicContact OD1-NH2 3.7Å; D80-R137 PolarHBondContact OD1-NH2 3.31Å; D80-R137 IonicContact OD2-CZ 2.69Å; D80-R137 IonicContact OD2-NH1 2.58Å; D80-R137 PolarHBondContact OD2-NH1 2.81Å; D80-R137 IonicContact OD2-NH2 2.79Å; D80-R137 PolarHBondContact OD2-NH2 2.72Å; T82-R137 HydrophobicContact CG2-CG 3.8Å; T82-R137 WeakPolarHBondContact OG1-CG 3.29Å; T82-R137 PolarHBondContact OG1-NH1 2.85Å; L83-R137 PolarHBondContact N-O 3.49Å; R137-L139 HydrophobicContact CB-CD2 4.34Å; R137-L139 HydrophobicContact CB-CG 4.4Å; R137-L139 HydrophobicContact CG-CD1 4.25Å; R137-L139 HydrophobicContact CG-CG 4.13Å |
| 138 | V | 98.9 | Very high | 98.8 | Very high | 21 Ų | 21 | 45.4 Ų | 45.4 | 13% | 0.127 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.6 | 169.2 | -174 | 0 | 0 | 0 | 0 | 108 | L83 R91 L94 E95 L98 | L83-V138 HydrophobicContact CB-CG2 4.47Å; L83-V138 CarbonylContact O-C 3.59Å; L83-V138 VanDerWaalsContact O-CA 3.27Å; L83-V138 WeakPolarHBondContact O-CA 3.38Å; R91-V138 HydrophobicContact CB-CG1 3.74Å; R91-V138 HydrophobicContact CG-CG1 3.91Å; L94-V138 HydrophobicContact CB-CG1 4.4Å; L94-V138 HydrophobicContact CD1-CG1 3.99Å; E95-V138 HydrophobicContact CG-CB 4.47Å; E95-V138 HydrophobicContact CG-CG2 4.36Å; E95-V138 WeakPolarHBondContact OE1-CB 3.37Å; E95-V138 WeakPolarHBondContact OE1-CG2 3.5Å; L98-V138 HydrophobicContact CD1-CG2 3.44Å; L98-V138 VanDerWaalsContact CD1-CG2 3.44Å |
| 139 | L | 98.9 | Very high | 98.8 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 20% | 0.204 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 153.1 | -172 | -60.4 | -177.4 | 0 | 0 | 0 | 112.8 | T82 L83 S84 D85 R91 R137 L149 A152 L154 | T82-L139 HydrophobicContact CG2-CD1 3.87Å; T82-L139 HydrophobicContact CG2-CG 4.12Å; L83-L139 PolarHBondContact O-N 3.35Å; S84-L139 CarbonylContact C-O 3.6Å; S84-L139 WeakPolarHBondContact CA-O 3.36Å; S84-L139 VanDerWaalsContact CB-O 3.24Å; S84-L139 WeakPolarHBondContact CB-O 3.37Å; D85-L139 PolarHBondContact N-O 3.14Å; D85-L139 VanDerWaalsContact N-O 3.1Å; R91-L139 WeakPolarHBondContact CD-O 3.37Å; R137-L139 HydrophobicContact CB-CD2 4.34Å; R137-L139 HydrophobicContact CB-CG 4.4Å; R137-L139 HydrophobicContact CG-CD1 4.25Å; R137-L139 HydrophobicContact CG-CG 4.13Å; L139-L149 HydrophobicContact CD1-CD1 4.48Å; L139-A152 HydrophobicContact CD1-CB 4.26Å; L139-L154 HydrophobicContact CD1-CD1 4.15Å |
| 140 | K | 98.9 | Very high | 98.7 | Very high | 67 Ų | 67 | 42.7 Ų | 42.7 | 29% | 0.291 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 137.4 | 163.6 | 175.1 | 71.8 | -177.4 | -166 | 0 | 108.4 | Q12 F86 | Q12-K140 VanDerWaalsContact NE2-NZ 3.1Å; F86-K140 VanDerWaalsContact CD2-NZ 3.29Å; F86-K140 VanDerWaalsContact O-CD 3.24Å; F86-K140 WeakPolarHBondContact O-CD 3.14Å; F86-K140 WeakPolarHBondContact O-CE 3.25Å; F86-K140 PolarHBondContact O-NZ 3.06Å |
| 141 | C | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.034 | 26% | 0.257 | C | S | . | . | trans | -131.6 | 160.2 | 169.2 | 69.4 | 0 | 0 | 0 | 0 | 111.9 | I62 D85 F86 P148 L149 | I62-C141 HydrophobicContact CD1-CB 4.3Å; D85-C141 PolarHBondContact O-N 3.03Å; F86-C141 VanDerWaalsContact CA-O 3.29Å; F86-C141 WeakPolarHBondContact CA-O 3.28Å; F86-C141 WeakPolarHBondContact CB-O 3.49Å; F86-C141 VanDerWaalsContact CD2-O 3.31Å; F86-C141 WeakPolarHBondContact CD2-O 3.48Å; C141-P148 CarbonylContact C-O 3.56Å; C141-P148 WeakPolarHBondContact CA-O 3.33Å; C141-P148 WeakPolarHBondContact CB-O 3.46Å; C141-L149 HydrophobicContact CB-CD2 3.8Å | ||
| 142 | D | 98.8 | Very high | 98.7 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | trans | -146.2 | 112.1 | 167.6 | -177.1 | -9.7 | 0 | 0 | 0 | 109.3 | F86 H144 L145 P148 | F86-D142 HydrophobicContact CD2-CB 3.96Å; F86-D142 HydrophobicContact CE2-CB 4.17Å; D142-H144 PolarHBondContact O-N 3.29Å; D142-H144 VanDerWaalsContact O-N 3.13Å; D142-H144 WeakPolarHBondContact OD1-CB 3.47Å; D142-H144 IonicContact OD1-CD2 2.75Å; D142-H144 PolarHBondContact OD1-CD2 3.21Å; D142-H144 VanDerWaalsContact OD1-CD2 3.29Å; D142-H144 IonicContact OD1-CG 2.77Å; D142-H144 PolarHBondContact OD1-N 3.04Å; D142-L145 HydrophobicContact CB-CD1 3.91Å; D142-L145 HydrophobicContact CB-CG 3.94Å; D142-L145 PolarHBondContact O-N 3.38Å; D142-L145 VanDerWaalsContact O-N 3.14Å; D142-P148 PolarHBondContact N-O 3.44Å; D142-P148 VanDerWaalsContact O-CA 3.25Å; D142-P148 WeakPolarHBondContact O-CA 3.47Å | ||
| 143 | V | 98.8 | Very high | 98.6 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14.1 | -174.6 | -58.7 | 0 | 0 | 0 | 0 | 113.7 | I62 L145 M166 A169 A179 N182 L183 | I62-V143 HydrophobicContact CG2-CG1 3.5Å; V143-L145 VanDerWaalsContact C-N 3.31Å; V143-M166 HydrophobicContact CB-SD 4.18Å; V143-M166 HydrophobicContact CG1-SD 3.89Å; V143-M166 HydrophobicContact CG2-SD 4.37Å; V143-A169 HydrophobicContact CG2-CB 3.65Å; V143-A179 HydrophobicContact CB-CB 4.19Å; V143-A179 HydrophobicContact CG2-CB 4.15Å; V143-N182 PolarHBondContact O-ND2 2.91Å; V143-L183 HydrophobicContact CG1-CD2 4.26Å |
| 144 | H | 98.7 | Very high | 98.6 | Very high | 96 Ų | 96 | 49.9 Ų | 49.9 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -11.3 | 177.8 | -59.9 | -58.5 | 0 | 0 | 0 | 113.1 | D142 A169 N182 | D142-H144 PolarHBondContact O-N 3.29Å; D142-H144 VanDerWaalsContact O-N 3.13Å; D142-H144 WeakPolarHBondContact OD1-CB 3.47Å; D142-H144 IonicContact OD1-CD2 2.75Å; D142-H144 PolarHBondContact OD1-CD2 3.21Å; D142-H144 VanDerWaalsContact OD1-CD2 3.29Å; D142-H144 IonicContact OD1-CG 2.77Å; D142-H144 PolarHBondContact OD1-N 3.04Å; H144-A169 PolarHBondContact CE1-O 2.94Å; H144-A169 PolarHBondContact NE2-O 3.14Å; H144-N182 PolarHBondContact O-ND2 3.37Å |
| 145 | L | 98.6 | Very high | 98.6 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 39% | 0.393 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -87 | 141.1 | 177.3 | -57.8 | -179.2 | 0 | 0 | 0 | 111 | D142 V143 N147 P148 A150 N182 | D142-L145 HydrophobicContact CB-CD1 3.91Å; D142-L145 HydrophobicContact CB-CG 3.94Å; D142-L145 PolarHBondContact O-N 3.38Å; D142-L145 VanDerWaalsContact O-N 3.14Å; V143-L145 VanDerWaalsContact C-N 3.31Å; L145-N147 WeakPolarHBondContact CB-O 3.33Å; L145-N147 CarbonylContact O-C 3.47Å; L145-N147 PolarHBondContact O-N 3.01Å; L145-N147 VanDerWaalsContact O-N 3.16Å; L145-P148 WeakPolarHBondContact O-CD 3.44Å; L145-A150 HydrophobicContact CD1-CB 4.19Å; L145-N182 WeakPolarHBondContact O-CB 3.49Å; L145-N182 VanDerWaalsContact O-CG 3.31Å; L145-N182 PolarHBondContact O-ND2 2.77Å |
| 146 | G | 98.2 | Very high | 98.6 | Very high | 53 Ų | 53 | 57.8 Ų | 57.8 | 55% | 0.546 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -57.5 | -30.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S185 | G146-S185 PolarHBondContact O-OG 3.02Š|
| 147 | N | 98.4 | Very high | 98.6 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -111.7 | 103.3 | 159.5 | 170.1 | 14.3 | 0 | 0 | 0 | 107.9 | L145 L149 A150 A152 | L145-N147 WeakPolarHBondContact CB-O 3.33Å; L145-N147 CarbonylContact O-C 3.47Å; L145-N147 PolarHBondContact O-N 3.01Å; L145-N147 VanDerWaalsContact O-N 3.16Å; N147-L149 PolarHBondContact O-N 2.94Å; N147-L149 VanDerWaalsContact O-N 3.1Å; N147-L149 PolarHBondContact OD1-N 3.37Å; N147-A150 HydrophobicContact CB-CB 4.42Å; N147-A150 WeakPolarHBondContact O-CB 3.5Å; N147-A150 PolarHBondContact O-N 3.47Å; N147-A150 VanDerWaalsContact O-N 3.14Å; N147-A152 PolarHBondContact ND2-O 2.92Å |
| 148 | P | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -21.2 | -177.6 | -28.1 | 34.9 | 0 | 0 | 0 | 115.5 | I62 C141 D142 L145 N182 L183 L186 | I62-P148 HydrophobicContact CD1-CB 4.37Å; C141-P148 CarbonylContact C-O 3.56Å; C141-P148 WeakPolarHBondContact CA-O 3.33Å; C141-P148 WeakPolarHBondContact CB-O 3.46Å; D142-P148 PolarHBondContact N-O 3.44Å; D142-P148 VanDerWaalsContact O-CA 3.25Å; D142-P148 WeakPolarHBondContact O-CA 3.47Å; L145-P148 WeakPolarHBondContact O-CD 3.44Å; P148-N182 HydrophobicContact CG-CB 3.98Å; P148-L183 HydrophobicContact CG-CD2 4.26Å; P148-L186 HydrophobicContact CB-CD1 4.19Å; P148-L186 HydrophobicContact CG-CD1 4.04Å; P148-L186 HydrophobicContact CG-CG 4.37Å |
| 149 | L | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 7.3 | -177.9 | -60 | -178.5 | 0 | 0 | 0 | 113.2 | I60 I62 L139 C141 N147 A152 L154 L186 | I60-L149 HydrophobicContact CD1-CD1 4.1Å; I60-L149 HydrophobicContact CG2-CD1 4.12Å; I62-L149 HydrophobicContact CD1-CD2 3.92Å; L139-L149 HydrophobicContact CD1-CD1 4.48Å; C141-L149 HydrophobicContact CB-CD2 3.8Å; N147-L149 PolarHBondContact O-N 2.94Å; N147-L149 VanDerWaalsContact O-N 3.1Å; N147-L149 PolarHBondContact OD1-N 3.37Å; L149-A152 CarbonylContact C-O 3.54Å; L149-A152 HydrophobicContact CB-CB 4.47Å; L149-A152 WeakPolarHBondContact O-CA 3.42Å; L149-A152 VanDerWaalsContact O-CB 3.23Å; L149-A152 WeakPolarHBondContact O-CB 3.43Å; L149-A152 PolarHBondContact O-N 3.32Å; L149-L154 HydrophobicContact CD1-CD1 3.66Å; L149-L154 HydrophobicContact CD1-CG 4.12Å; L149-L186 HydrophobicContact CD1-CD2 4.42Å; L149-L186 HydrophobicContact CG-CD1 4.4Å; L149-L186 HydrophobicContact CG-CD2 4.42Å |
| 150 | A | 97.9 | Very high | 98.6 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 35% | 0.347 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 138.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L145 N147 | L145-A150 HydrophobicContact CD1-CB 4.19Å; N147-A150 HydrophobicContact CB-CB 4.42Å; N147-A150 WeakPolarHBondContact O-CB 3.5Å; N147-A150 PolarHBondContact O-N 3.47Å; N147-A150 VanDerWaalsContact O-N 3.14Å |
| 151 | P | 98.3 | Very high | 98.6 | Very high | 135 Ų | 135 | 44.5 Ų | 44.5 | 88% | 0.877 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -84.3 | -0.2 | 6.9 | 35.5 | -37.2 | 0 | 0 | 0 | 114.6 | ||
| 152 | A | 98.3 | Very high | 98.6 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | trans | -67.3 | 143.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L139 N147 L149 | L139-A152 HydrophobicContact CD1-CB 4.26Å; N147-A152 PolarHBondContact ND2-O 2.92Å; L149-A152 CarbonylContact C-O 3.54Å; L149-A152 HydrophobicContact CB-CB 4.47Å; L149-A152 WeakPolarHBondContact O-CA 3.42Å; L149-A152 VanDerWaalsContact O-CB 3.23Å; L149-A152 WeakPolarHBondContact O-CB 3.43Å; L149-A152 PolarHBondContact O-N 3.32Å | ||
| 153 | V | 98.1 | Very high | 98.6 | Very high | 122 Ų | 122 | 42.9 Ų | 42.9 | 74% | 0.739 | 27% | 0.266 | S | S | * | . | trans | -129.3 | 112.3 | 174.5 | -178.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 154 | L | 98 | Very high | 98.6 | Very high | 51 Ų | 51 | 43.1 Ų | 43.1 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -99.7 | 159.1 | 175.9 | -60.7 | -175.5 | 0 | 0 | 0 | 109.7 | I60 T82 L139 L149 | I60-L154 HydrophobicContact CD1-CD1 4.13Å; T82-L154 HydrophobicContact CG2-CD1 4.2Å; L139-L154 HydrophobicContact CD1-CD1 4.15Å; L149-L154 HydrophobicContact CD1-CD1 3.66Å; L149-L154 HydrophobicContact CD1-CG 4.12Å |
| 155 | P | 98.4 | Very high | 98.6 | Very high | 107 Ų | 107 | 39.6 Ų | 39.6 | 70% | 0.695 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 150.9 | 162.6 | -21.9 | 33.9 | 0 | 0 | 0 | 110.5 | A157 | P155-A157 PolarHBondContact O-N 3.18Š|
| 156 | L | 98.7 | Very high | 98.6 | Very high | 80 Ų | 80 | 36.1 Ų | 36.1 | 42% | 0.419 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -56 | 133.3 | 172.1 | -65.3 | -179.8 | 0 | 0 | 0 | 109.7 | S185 L186 K188 | L156-S185 WeakPolarHBondContact CD2-O 3.24Å; L156-L186 CarbonylContact C-O 3.53Å; L156-L186 WeakPolarHBondContact CA-O 3.31Å; L156-K188 HydrophobicContact CB-CB 4.38Å; L156-K188 HydrophobicContact CB-CG 3.62Å; L156-K188 WeakPolarHBondContact O-CE 3.35Å; L156-K188 WeakPolarHBondContact O-CG 3.11Å |
| 157 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 155 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T58 I60 P155 L186 K188 | T58-A157 WeakPolarHBondContact OG1-CA 3.46Å; I60-A157 HydrophobicContact CD1-CB 3.7Å; I60-A157 HydrophobicContact CG1-CB 3.86Å; P155-A157 PolarHBondContact O-N 3.18Å; A157-L186 PolarHBondContact N-O 3.42Å; A157-K188 WeakPolarHBondContact O-CG 3.49Å; A157-K188 PolarHBondContact O-N 3.47Å |
| 158 | D | 98.9 | Very high | 98.6 | Very high | 32 Ų | 32 | 31.8 Ų | 31.8 | 17% | 0.171 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | -34.5 | 171.3 | -59.3 | -68.2 | 0 | 0 | 0 | 111.3 | D57 T58 F78 K188 G191 H192 | D57-D158 PolarHBondContact N-OD2 3.34Å; T58-D158 PolarHBondContact N-OD2 3.28Å; T58-D158 WeakPolarHBondContact O-CB 3.29Å; T58-D158 PolarHBondContact O-N 3.41Å; T58-D158 VanDerWaalsContact O-N 3.1Å; T58-D158 PolarHBondContact OG1-N 2.86Å; T58-D158 PolarHBondContact OG1-OD2 2.78Å; F78-D158 HydrophobicContact CE1-CB 3.94Å; D158-K188 WeakPolarHBondContact OD1-CD 3.39Å; D158-K188 WeakPolarHBondContact OD1-CE 3.37Å; D158-K188 IonicContact OD1-NZ 2.69Å; D158-K188 PolarHBondContact OD1-NZ 2.82Å; D158-K188 IonicContact OD2-NZ 3.1Å; D158-K188 PolarHBondContact OD2-NZ 3.34Å; D158-K188 VanDerWaalsContact OD2-NZ 3.1Å; D158-G191 CarbonylContact O-C 3.56Å; D158-G191 VanDerWaalsContact O-CA 3.26Å; D158-G191 WeakPolarHBondContact O-CA 3.11Å; D158-H192 PolarHBondContact O-N 3.14Å |
| 159 | C | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 140.8 | 179 | -170.7 | 0 | 0 | 0 | 0 | 111.9 | T58 L59 I60 F78 H192 | T58-C159 PolarHBondContact O-N 2.85Å; T58-C159 VanDerWaalsContact O-N 3.11Å; L59-C159 VanDerWaalsContact CA-O 3.31Å; L59-C159 WeakPolarHBondContact CA-O 3.33Å; L59-C159 HydrophobicContact CB-CB 4.25Å; L59-C159 HydrophobicContact CD1-CB 3.97Å; L59-C159 HydrophobicContact CG-CB 4.03Å; I60-C159 PolarHBondContact N-O 2.8Å; F78-C159 HydrophobicContact CD1-CB 4.42Å; F78-C159 HydrophobicContact CE1-CB 3.63Å; F78-C159 HydrophobicContact CE2-CB 4.42Å; F78-C159 HydrophobicContact CZ-CB 3.64Å; C159-H192 CarbonylContact C-O 3.58Å; C159-H192 VanDerWaalsContact CA-O 3.32Å; C159-H192 WeakPolarHBondContact CA-O 3.26Å |
| 160 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 126.8 | 165.1 | 169.2 | 0 | 0 | 0 | 0 | 107.1 | I60 I62 L183 L186 L187 H192 L193 V194 | I60-V160 HydrophobicContact CB-CG2 4.42Å; I60-V160 CarbonylContact O-C 3.59Å; I60-V160 VanDerWaalsContact O-CA 3.29Å; I60-V160 WeakPolarHBondContact O-CA 3.24Å; I62-V160 HydrophobicContact CG1-CG1 4.12Å; V160-L183 HydrophobicContact CG1-CB 4.34Å; V160-L183 HydrophobicContact CG1-CD1 4.41Å; V160-L186 HydrophobicContact CG2-CB 3.95Å; V160-L187 HydrophobicContact CB-CD1 4.26Å; V160-L187 HydrophobicContact CB-CD2 4.03Å; V160-L187 HydrophobicContact CB-CG 4.08Å; V160-L187 HydrophobicContact CG2-CD1 4.31Å; V160-L187 HydrophobicContact CG2-CD2 3.65Å; V160-L187 HydrophobicContact CG2-CG 3.62Å; V160-H192 PolarHBondContact N-O 2.86Å; V160-L193 HydrophobicContact CG1-CD1 4.16Å; V160-L193 CarbonylContact O-C 3.55Å; V160-L193 WeakPolarHBondContact O-CA 3.37Å; V160-V194 PolarHBondContact O-N 2.89Å |
| 161 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 139.1 | 178.5 | -175.1 | 68.6 | 0 | 0 | 0 | 108.6 | L45 F49 L59 I60 D61 I62 Q70 V71 L163 V194 | L45-L161 HydrophobicContact CD2-CD1 4.13Å; F49-L161 HydrophobicContact CE2-CD1 4.13Å; F49-L161 HydrophobicContact CZ-CD1 4.18Å; L59-L161 HydrophobicContact CD2-CB 4.02Å; L59-L161 HydrophobicContact CD2-CD2 4.36Å; L59-L161 HydrophobicContact CG-CB 4.44Å; I60-L161 PolarHBondContact O-N 2.7Å; D61-L161 CarbonylContact C-O 3.46Å; D61-L161 WeakPolarHBondContact CA-O 3.31Å; D61-L161 HydrophobicContact CB-CB 4.31Å; D61-L161 HydrophobicContact CB-CD2 4.41Å; D61-L161 WeakPolarHBondContact OD1-CG 3.38Å; I62-L161 PolarHBondContact N-O 2.86Å; Q70-L161 HydrophobicContact CB-CD2 4.1Å; Q70-L161 HydrophobicContact CG-CD2 3.94Å; Q70-L161 WeakPolarHBondContact O-CD2 3.49Å; V71-L161 HydrophobicContact CG1-CD2 3.79Å; L161-L163 HydrophobicContact CD1-CD1 3.33Å; L161-L163 HydrophobicContact CD2-CD1 4.36Å; L161-L163 HydrophobicContact CG-CD1 3.68Å; L161-V194 CarbonylContact C-O 3.08Å; L161-V194 VanDerWaalsContact CA-O 3.31Å; L161-V194 WeakPolarHBondContact CA-O 3.46Å; L161-V194 HydrophobicContact CD1-CB 3.66Å; L161-V194 HydrophobicContact CD1-CG1 3.59Å |
| 162 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 116.2 | 168.5 | -174 | 0 | 0 | 0 | 0 | 110.8 | I62 M166 L183 L193 V194 T195 T196 | I62-T162 VanDerWaalsContact O-CB 3.28Å; I62-T162 WeakPolarHBondContact O-CB 3.41Å; I62-T162 PolarHBondContact O-OG1 3.27Å; T162-M166 HydrophobicContact CG2-CG 3.78Å; T162-L183 HydrophobicContact CG2-CD1 3.74Å; T162-L193 HydrophobicContact CG2-CD1 4.24Å; T162-V194 PolarHBondContact N-O 2.81Å; T162-T195 WeakPolarHBondContact CG2-OG1 3.43Å; T162-T195 WeakPolarHBondContact O-CA 3.47Å; T162-T195 WeakPolarHBondContact O-CB 3.27Å; T162-T195 PolarHBondContact O-OG1 3.02Å; T162-T196 PolarHBondContact O-N 3.3Å |
| 163 | L | 98.9 | Very high | 98.6 | Very high | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.063 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.7 | -178.4 | -85.8 | 72.2 | 0 | 0 | 0 | 109.6 | N41 L45 Y69 Q70 L161 A165 | N41-L163 HydrophobicContact CB-CD2 4.35Å; L45-L163 HydrophobicContact CD1-CD2 4.08Å; L45-L163 HydrophobicContact CD2-CD1 4.47Å; L45-L163 HydrophobicContact CD2-CD2 4.41Å; Y69-L163 HydrophobicContact CE2-CD2 3.97Å; Q70-L163 HydrophobicContact CB-CD1 4.37Å; Q70-L163 HydrophobicContact CB-CD2 3.91Å; L161-L163 HydrophobicContact CD1-CD1 3.33Å; L161-L163 HydrophobicContact CD2-CD1 4.36Å; L161-L163 HydrophobicContact CG-CD1 3.68Å; L163-A165 PolarHBondContact O-N 3.35Å |
| 164 | L | 98.6 | Very high | 98.6 | Very high | 17 Ų | 17 | 30.8 Ų | 30.8 | 9% | 0.089 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 60.6 | 18.5 | 168.1 | -47.5 | 179.1 | 0 | 0 | 0 | 115.3 | C168 T196 T198 Y242 | L164-C168 PolarHBondContact O-SG 2.98Å; L164-C168 VanDerWaalsContact O-SG 3.34Å; L164-T196 HydrophobicContact CD2-CG2 3.92Å; L164-T196 PolarHBondContact N-O 2.71Å; L164-T198 HydrophobicContact CD2-CG2 3.81Å; L164-Y242 WeakPolarHBondContact CD1-OH 3.02Å |
| 165 | A | 98.6 | Very high | 98.7 | Very high | 21 Ų | 21 | 29.2 Ų | 29.2 | 17% | 0.174 | 18% | 0.181 | C | C | . | . | trans | -108 | -36.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | L163 C168 A169 | L163-A165 PolarHBondContact O-N 3.35Å; A165-C168 WeakPolarHBondContact O-CB 3.45Å; A165-C168 PolarHBondContact O-N 2.94Å; A165-C168 VanDerWaalsContact O-N 3.14Å; A165-A169 WeakPolarHBondContact O-CB 3.42Å; A165-A169 PolarHBondContact O-N 2.92Å | ||
| 166 | M | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.7 | -40.7 | -170.3 | -68.7 | -69.3 | -74.4 | 0 | 0 | 112 | V143 T162 C168 A169 C170 Y176 A179 L180 L183 | V143-M166 HydrophobicContact CB-SD 4.18Å; V143-M166 HydrophobicContact CG1-SD 3.89Å; V143-M166 HydrophobicContact CG2-SD 4.37Å; T162-M166 HydrophobicContact CG2-CG 3.78Å; M166-C168 PolarHBondContact O-N 2.75Å; M166-A169 PolarHBondContact O-N 2.91Å; M166-C170 VanDerWaalsContact O-CB 3.31Å; M166-C170 WeakPolarHBondContact O-CB 3.37Å; M166-C170 PolarHBondContact O-N 2.99Å; M166-C170 PolarHBondContact O-SG 2.98Å; M166-Y176 HydrophobicContact CB-CD2 3.98Å; M166-Y176 HydrophobicContact CB-CE2 3.51Å; M166-A179 HydrophobicContact CE-CB 3.39Å; M166-A179 HydrophobicContact SD-CB 4.43Å; M166-L180 HydrophobicContact CE-CD2 4.21Å; M166-L180 HydrophobicContact CE-CG 4.29Å; M166-L183 HydrophobicContact CE-CD1 3.86Å; M166-L183 HydrophobicContact CE-CG 4.24Å; M166-L183 HydrophobicContact SD-CD1 3.83Å; M166-L183 HydrophobicContact SD-CG 4.44Å |
| 167 | E | 98.5 | Very high | 98.7 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.3 | -23.9 | 174.6 | 66.2 | -90.9 | -132.3 | 0 | 0 | 112.7 | V197 T198 C213 V214 L216 | E167-V197 HydrophobicContact CB-CG2 4.16Å; E167-V197 HydrophobicContact CG-CG2 4.44Å; E167-T198 PolarHBondContact OE1-N 3.07Å; E167-T198 PolarHBondContact OE1-OG1 2.92Å; E167-C213 CarbonylContact O-C 3.54Å; E167-C213 WeakPolarHBondContact O-CA 3.27Å; E167-V214 HydrophobicContact CB-CG1 4.27Å; E167-V214 PolarHBondContact O-N 2.98Å; E167-L216 HydrophobicContact CB-CD1 4.47Å |
| 168 | C | 98.6 | Very high | 98.7 | Very high | 11 Ų | 11 | 26 Ų | 26 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -83.4 | -38.5 | 176.7 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | F5 Y11 L164 A165 M166 Y204 C213 | F5-C168 WeakPolarHBondContact CE1-O 3.04Å; F5-C168 WeakPolarHBondContact CZ-O 3.34Å; Y11-C168 WeakPolarHBondContact OH-CB 3.48Å; L164-C168 PolarHBondContact O-SG 2.98Å; L164-C168 VanDerWaalsContact O-SG 3.34Å; A165-C168 WeakPolarHBondContact O-CB 3.45Å; A165-C168 PolarHBondContact O-N 2.94Å; A165-C168 VanDerWaalsContact O-N 3.14Å; M166-C168 PolarHBondContact O-N 2.75Å; C168-Y204 HydrophobicContact CB-CE1 4.24Å; C168-Y204 VanDerWaalsContact SG-CE1 3.54Å; C168-C213 VanDerWaalsContact SG-SG 3.67Å |
| 169 | A | 98.4 | Very high | 98.7 | Very high | 36 Ų | 36 | 24.6 Ų | 24.6 | 30% | 0.298 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -77.2 | -28.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V143 H144 A165 M166 | V143-A169 HydrophobicContact CG2-CB 3.65Å; H144-A169 PolarHBondContact CE1-O 2.94Å; H144-A169 PolarHBondContact NE2-O 3.14Å; A165-A169 WeakPolarHBondContact O-CB 3.42Å; A165-A169 PolarHBondContact O-N 2.92Å; M166-A169 PolarHBondContact O-N 2.91Å |
| 170 | C | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -99.7 | 127.1 | -172.7 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | F5 M166 S172 A175 Y176 V214 | F5-C170 WeakPolarHBondContact CZ-O 3.32Å; M166-C170 VanDerWaalsContact O-CB 3.31Å; M166-C170 WeakPolarHBondContact O-CB 3.37Å; M166-C170 PolarHBondContact O-N 2.99Å; M166-C170 PolarHBondContact O-SG 2.98Å; C170-S172 VanDerWaalsContact C-N 3.34Å; C170-A175 HydrophobicContact CB-CB 4.02Å; C170-Y176 HydrophobicContact CB-CD2 4.47Å; C170-Y176 VanDerWaalsContact SG-CA 3.58Å; C170-V214 HydrophobicContact CB-CG1 4.15Å; C170-V214 VanDerWaalsContact O-CB 3.26Å; C170-V214 WeakPolarHBondContact O-CB 3.47Å; C170-V214 WeakPolarHBondContact O-CG1 3.4Å | ||
| 171 | C | 97.8 | Very high | 98.7 | Very high | 80 Ų | 80 | 27.6 Ų | 27.6 | 54% | 0.541 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -85.4 | -5 | -179.1 | 64.1 | 0 | 0 | 0 | 0 | 114.7 | F5 | F5-C171 HydrophobicContact CB-CB 4.04Å; F5-C171 HydrophobicContact CD1-CB 3.58Å; F5-C171 HydrophobicContact CD2-CB 3.85Å; F5-C171 HydrophobicContact CE1-CB 3.96Å; F5-C171 HydrophobicContact CE2-CB 4.2Å; F5-C171 HydrophobicContact CG-CB 3.53Å; F5-C171 HydrophobicContact CZ-CB 4.26Å |
| 172 | S | 98.6 | Very high | 98.7 | Very high | 44 Ų | 44 | 29 Ų | 29 | 31% | 0.308 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -159 | 166.5 | -179.4 | 71.3 | 0 | 0 | 0 | 0 | 110.9 | C170 D174 A175 Y176 | C170-S172 VanDerWaalsContact C-N 3.34Å; S172-D174 VanDerWaalsContact C-N 3.27Å; S172-D174 PolarHBondContact O-N 2.93Å; S172-D174 PolarHBondContact OG-N 3.17Å; S172-A175 PolarHBondContact O-N 3.21Å; S172-A175 PolarHBondContact OG-N 3.21Å; S172-A175 VanDerWaalsContact OG-N 3.17Å; S172-Y176 PolarHBondContact O-N 3.15Å |
| 173 | L | 98.8 | Very high | 98.7 | Very high | 34 Ų | 34 | 29 Ų | 29 | 18% | 0.178 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.3 | -34.7 | 173.6 | 177.7 | 60.8 | 0 | 0 | 0 | 112.3 | Y176 R177 L216 E220 | L173-Y176 WeakPolarHBondContact O-CB 3.35Å; L173-Y176 PolarHBondContact O-N 3.47Å; L173-R177 VanDerWaalsContact CG-NH1 3.26Å; L173-R177 WeakPolarHBondContact O-CG 3.49Å; L173-R177 PolarHBondContact O-N 2.93Å; L173-L216 HydrophobicContact CB-CD2 4.31Å; L173-L216 HydrophobicContact CD1-CD2 3.69Å; L173-E220 HydrophobicContact CD1-CB 4.02Å; L173-E220 HydrophobicContact CD2-CB 4.21Å; L173-E220 HydrophobicContact CD2-CG 4.09Å |
| 174 | D | 98.8 | Very high | 98.7 | Very high | 118 Ų | 118 | 28.9 Ų | 28.9 | 63% | 0.631 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -68.3 | -40.2 | 176.8 | -67.4 | -27.7 | 0 | 0 | 0 | 111.9 | S172 Y176 R177 A178 | S172-D174 VanDerWaalsContact C-N 3.27Å; S172-D174 PolarHBondContact O-N 2.93Å; S172-D174 PolarHBondContact OG-N 3.17Å; D174-Y176 VanDerWaalsContact C-N 3.31Å; D174-R177 PolarHBondContact O-N 3.28Å; D174-A178 WeakPolarHBondContact O-CB 3.45Å; D174-A178 PolarHBondContact O-N 2.72Å |
| 175 | A | 98.8 | Very high | 98.6 | Very high | 19 Ų | 19 | 30.6 Ų | 30.6 | 16% | 0.157 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | C170 S172 A178 A179 | C170-A175 HydrophobicContact CB-CB 4.02Å; S172-A175 PolarHBondContact O-N 3.21Å; S172-A175 PolarHBondContact OG-N 3.21Å; S172-A175 VanDerWaalsContact OG-N 3.17Å; A175-A178 PolarHBondContact O-N 2.82Å; A175-A179 VanDerWaalsContact O-CB 3.31Å; A175-A179 WeakPolarHBondContact O-CB 3.48Å; A175-A179 PolarHBondContact O-N 3.39Å |
| 176 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 175.8 | -175.1 | -93.1 | 0 | 0 | 0 | 112.3 | M166 C170 S172 L173 D174 A178 A179 L180 L216 A224 | M166-Y176 HydrophobicContact CB-CD2 3.98Å; M166-Y176 HydrophobicContact CB-CE2 3.51Å; C170-Y176 HydrophobicContact CB-CD2 4.47Å; C170-Y176 VanDerWaalsContact SG-CA 3.58Å; S172-Y176 PolarHBondContact O-N 3.15Å; L173-Y176 WeakPolarHBondContact O-CB 3.35Å; L173-Y176 PolarHBondContact O-N 3.47Å; D174-Y176 VanDerWaalsContact C-N 3.31Å; Y176-A178 PolarHBondContact O-N 2.58Å; Y176-A179 PolarHBondContact O-N 2.95Å; Y176-L180 HydrophobicContact CD1-CD1 3.94Å; Y176-L180 HydrophobicContact CD1-CG 4.46Å; Y176-L180 HydrophobicContact CE1-CD1 3.52Å; Y176-L180 HydrophobicContact CE1-CG 4.16Å; Y176-L180 PolarHBondContact O-N 3.39Å; Y176-L216 HydrophobicContact CD1-CD1 4.16Å; Y176-L216 HydrophobicContact CD2-CD1 3.63Å; Y176-L216 HydrophobicContact CE1-CD1 4.16Å; Y176-L216 HydrophobicContact CE2-CD1 3.62Å; Y176-L216 HydrophobicContact CG-CD1 3.91Å; Y176-A224 HydrophobicContact CD1-CB 4.08Å; Y176-A224 HydrophobicContact CE1-CB 4.11Å |
| 177 | R | 98.9 | Very high | 98.7 | Very high | 69 Ų | 69 | 30.2 Ų | 30.2 | 26% | 0.26 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 173.9 | -78.1 | -178.2 | 169 | 108.9 | 10.5 | 112.1 | L173 D174 A179 L180 C181 A224 D227 | L173-R177 VanDerWaalsContact CG-NH1 3.26Å; L173-R177 WeakPolarHBondContact O-CG 3.49Å; L173-R177 PolarHBondContact O-N 2.93Å; D174-R177 PolarHBondContact O-N 3.28Å; R177-A179 PolarHBondContact O-N 3.03Å; R177-L180 PolarHBondContact O-N 3.37Å; R177-C181 PolarHBondContact O-N 2.7Å; R177-C181 PolarHBondContact O-SG 2.96Å; R177-A224 HydrophobicContact CG-CB 3.7Å; R177-D227 IonicContact NE-OD2 3.5Å |
| 178 | A | 98.8 | Very high | 98.7 | Very high | 51 Ų | 51 | 33.4 Ų | 33.4 | 42% | 0.421 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63 | -42 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | D174 A175 Y176 L180 C181 N182 | D174-A178 WeakPolarHBondContact O-CB 3.45Å; D174-A178 PolarHBondContact O-N 2.72Å; A175-A178 PolarHBondContact O-N 2.82Å; Y176-A178 PolarHBondContact O-N 2.58Å; A178-L180 VanDerWaalsContact C-N 3.35Å; A178-L180 PolarHBondContact O-N 3.46Å; A178-C181 WeakPolarHBondContact O-CB 3.34Å; A178-C181 PolarHBondContact O-N 3.14Å; A178-N182 PolarHBondContact O-N 3.23Å |
| 179 | A | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V143 M166 A175 Y176 R177 C181 N182 L183 | V143-A179 HydrophobicContact CB-CB 4.19Å; V143-A179 HydrophobicContact CG2-CB 4.15Å; M166-A179 HydrophobicContact CE-CB 3.39Å; M166-A179 HydrophobicContact SD-CB 4.43Å; A175-A179 VanDerWaalsContact O-CB 3.31Å; A175-A179 WeakPolarHBondContact O-CB 3.48Å; A175-A179 PolarHBondContact O-N 3.39Å; Y176-A179 PolarHBondContact O-N 2.95Å; R177-A179 PolarHBondContact O-N 3.03Å; A179-C181 VanDerWaalsContact C-N 3.34Å; A179-C181 PolarHBondContact O-N 2.9Å; A179-N182 WeakPolarHBondContact O-CB 3.48Å; A179-N182 PolarHBondContact O-N 2.94Å; A179-N182 VanDerWaalsContact O-N 3.11Å; A179-L183 WeakPolarHBondContact O-CG 3.33Å; A179-L183 PolarHBondContact O-N 2.84Å |
| 180 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 172.7 | -74.8 | 173.4 | 0 | 0 | 0 | 112.6 | M166 Y176 R177 A178 N182 L183 A184 L193 A224 V225 A228 | M166-L180 HydrophobicContact CE-CD2 4.21Å; M166-L180 HydrophobicContact CE-CG 4.29Å; Y176-L180 HydrophobicContact CD1-CD1 3.94Å; Y176-L180 HydrophobicContact CD1-CG 4.46Å; Y176-L180 HydrophobicContact CE1-CD1 3.52Å; Y176-L180 HydrophobicContact CE1-CG 4.16Å; Y176-L180 PolarHBondContact O-N 3.39Å; R177-L180 PolarHBondContact O-N 3.37Å; A178-L180 VanDerWaalsContact C-N 3.35Å; A178-L180 PolarHBondContact O-N 3.46Å; L180-N182 VanDerWaalsContact C-N 3.3Å; L180-N182 PolarHBondContact O-N 3.07Å; L180-L183 PolarHBondContact O-N 3.4Å; L180-A184 PolarHBondContact O-N 3.15Å; L180-L193 HydrophobicContact CD2-CD2 3.84Å; L180-A224 HydrophobicContact CD1-CB 3.74Å; L180-V225 HydrophobicContact CD1-CG2 4.12Å; L180-A228 HydrophobicContact CB-CB 3.78Å |
| 181 | C | 98.7 | Very high | 98.6 | Very high | 63 Ų | 63 | 36.8 Ų | 36.8 | 43% | 0.426 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.5 | -38 | 173.1 | -65.3 | 0 | 0 | 0 | 0 | 112 | R177 A178 A179 A184 S185 | R177-C181 PolarHBondContact O-N 2.7Å; R177-C181 PolarHBondContact O-SG 2.96Å; A178-C181 WeakPolarHBondContact O-CB 3.34Å; A178-C181 PolarHBondContact O-N 3.14Å; A179-C181 VanDerWaalsContact C-N 3.34Å; A179-C181 PolarHBondContact O-N 2.9Å; C181-A184 WeakPolarHBondContact O-CB 3.46Å; C181-A184 PolarHBondContact O-N 3.47Å; C181-S185 PolarHBondContact O-N 3.27Å |
| 182 | N | 98.8 | Very high | 98.7 | Very high | 30 Ų | 30 | 34.5 Ų | 34.5 | 16% | 0.16 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 175.4 | -63.3 | -21.5 | 0 | 0 | 0 | 111.7 | V143 H144 L145 P148 A178 A179 L180 A184 S185 | V143-N182 PolarHBondContact O-ND2 2.91Å; H144-N182 PolarHBondContact O-ND2 3.37Å; L145-N182 WeakPolarHBondContact O-CB 3.49Å; L145-N182 VanDerWaalsContact O-CG 3.31Å; L145-N182 PolarHBondContact O-ND2 2.77Å; P148-N182 HydrophobicContact CG-CB 3.98Å; A178-N182 PolarHBondContact O-N 3.23Å; A179-N182 WeakPolarHBondContact O-CB 3.48Å; A179-N182 PolarHBondContact O-N 2.94Å; A179-N182 VanDerWaalsContact O-N 3.11Å; L180-N182 VanDerWaalsContact C-N 3.3Å; L180-N182 PolarHBondContact O-N 3.07Å; N182-A184 VanDerWaalsContact C-N 3.33Å; N182-S185 WeakPolarHBondContact O-CB 3.48Å; N182-S185 PolarHBondContact O-N 3.41Å; N182-S185 PolarHBondContact O-OG 3.44Å |
| 183 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.7 | -39.2 | 173.2 | -60.1 | -166.1 | 0 | 0 | 0 | 111.8 | I62 V143 P148 V160 T162 M166 A179 L180 S185 L186 L193 | I62-L183 HydrophobicContact CB-CD2 4.3Å; I62-L183 HydrophobicContact CG1-CD2 4.11Å; I62-L183 HydrophobicContact CG2-CD2 3.85Å; V143-L183 HydrophobicContact CG1-CD2 4.26Å; P148-L183 HydrophobicContact CG-CD2 4.26Å; V160-L183 HydrophobicContact CG1-CB 4.34Å; V160-L183 HydrophobicContact CG1-CD1 4.41Å; T162-L183 HydrophobicContact CG2-CD1 3.74Å; M166-L183 HydrophobicContact CE-CD1 3.86Å; M166-L183 HydrophobicContact CE-CG 4.24Å; M166-L183 HydrophobicContact SD-CD1 3.83Å; M166-L183 HydrophobicContact SD-CG 4.44Å; A179-L183 WeakPolarHBondContact O-CG 3.33Å; A179-L183 PolarHBondContact O-N 2.84Å; L180-L183 PolarHBondContact O-N 3.4Å; L183-S185 PolarHBondContact O-N 3.48Å; L183-L186 WeakPolarHBondContact O-CB 3.31Å; L183-L186 PolarHBondContact O-N 3.06Å; L183-L186 VanDerWaalsContact O-N 3.08Å; L183-L193 HydrophobicContact CD1-CD1 4.24Å |
| 184 | A | 98.6 | Very high | 98.7 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 8% | 0.083 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -28.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L180 C181 N182 L186 L187 F230 K259 | L180-A184 PolarHBondContact O-N 3.15Å; C181-A184 WeakPolarHBondContact O-CB 3.46Å; C181-A184 PolarHBondContact O-N 3.47Å; N182-A184 VanDerWaalsContact C-N 3.33Å; A184-L186 PolarHBondContact O-N 3.07Å; A184-L187 PolarHBondContact O-N 3.21Å; A184-F230 HydrophobicContact CB-CE2 3.62Å; A184-F230 HydrophobicContact CB-CZ 3.52Å; A184-K259 PolarHBondContact O-NZ 2.89Å |
| 185 | S | 98.2 | Very high | 98.7 | Very high | 52 Ų | 52 | 25.2 Ų | 25.2 | 36% | 0.364 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.3 | -25.6 | 177.9 | 92.3 | 0 | 0 | 0 | 0 | 112.9 | G146 L156 C181 N182 L183 | G146-S185 PolarHBondContact O-OG 3.02Å; L156-S185 WeakPolarHBondContact CD2-O 3.24Å; C181-S185 PolarHBondContact O-N 3.27Å; N182-S185 WeakPolarHBondContact O-CB 3.48Å; N182-S185 PolarHBondContact O-N 3.41Å; N182-S185 PolarHBondContact O-OG 3.44Å; L183-S185 PolarHBondContact O-N 3.48Å |
| 186 | L | 98.8 | Very high | 98.7 | Very high | 16 Ų | 16 | 24.3 Ų | 24.3 | 8% | 0.084 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -12.4 | 177.8 | -58.9 | 177.7 | 0 | 0 | 0 | 113.7 | I60 I62 P148 L149 L156 A157 V160 L183 A184 | I60-L186 HydrophobicContact CD1-CB 4.47Å; I62-L186 HydrophobicContact CD1-CD1 3.79Å; I62-L186 HydrophobicContact CG1-CD1 4.34Å; P148-L186 HydrophobicContact CB-CD1 4.19Å; P148-L186 HydrophobicContact CG-CD1 4.04Å; P148-L186 HydrophobicContact CG-CG 4.37Å; L149-L186 HydrophobicContact CD1-CD2 4.42Å; L149-L186 HydrophobicContact CG-CD1 4.4Å; L149-L186 HydrophobicContact CG-CD2 4.42Å; L156-L186 CarbonylContact C-O 3.53Å; L156-L186 WeakPolarHBondContact CA-O 3.31Å; A157-L186 PolarHBondContact N-O 3.42Å; V160-L186 HydrophobicContact CG2-CB 3.95Å; L183-L186 WeakPolarHBondContact O-CB 3.31Å; L183-L186 PolarHBondContact O-N 3.06Å; L183-L186 VanDerWaalsContact O-N 3.08Å; A184-L186 PolarHBondContact O-N 3.07Å |
| 187 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 142.6 | -173.1 | -78.2 | 171 | 0 | 0 | 0 | 113.8 | V160 A184 H192 L193 F230 K259 | V160-L187 HydrophobicContact CB-CD1 4.26Å; V160-L187 HydrophobicContact CB-CD2 4.03Å; V160-L187 HydrophobicContact CB-CG 4.08Å; V160-L187 HydrophobicContact CG2-CD1 4.31Å; V160-L187 HydrophobicContact CG2-CD2 3.65Å; V160-L187 HydrophobicContact CG2-CG 3.62Å; A184-L187 PolarHBondContact O-N 3.21Å; L187-H192 WeakPolarHBondContact CD2-O 3.36Å; L187-L193 HydrophobicContact CD1-CB 4.36Å; L187-F230 HydrophobicContact CD1-CE1 3.57Å; L187-F230 HydrophobicContact CD1-CZ 3.9Å; L187-K259 HydrophobicContact CB-CD 3.74Å; L187-K259 PolarHBondContact O-NZ 3.06Å |
| 188 | K | 98.6 | Very high | 98.7 | Very high | 68 Ų | 68 | 21.2 Ų | 21.2 | 30% | 0.296 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 149.5 | 164.1 | -66.6 | 175.9 | -167.2 | 174.1 | 0 | 109.7 | L156 A157 D158 G190 G191 | L156-K188 HydrophobicContact CB-CB 4.38Å; L156-K188 HydrophobicContact CB-CG 3.62Å; L156-K188 WeakPolarHBondContact O-CE 3.35Å; L156-K188 WeakPolarHBondContact O-CG 3.11Å; A157-K188 WeakPolarHBondContact O-CG 3.49Å; A157-K188 PolarHBondContact O-N 3.47Å; D158-K188 WeakPolarHBondContact OD1-CD 3.39Å; D158-K188 WeakPolarHBondContact OD1-CE 3.37Å; D158-K188 IonicContact OD1-NZ 2.69Å; D158-K188 PolarHBondContact OD1-NZ 2.82Å; D158-K188 IonicContact OD2-NZ 3.1Å; D158-K188 PolarHBondContact OD2-NZ 3.34Å; D158-K188 VanDerWaalsContact OD2-NZ 3.1Å; K188-G190 PolarHBondContact O-N 3.33Å; K188-G191 PolarHBondContact O-N 3.26Å |
| 189 | P | 98.3 | Very high | 98.7 | Very high | 85 Ų | 85 | 19.1 Ų | 19.1 | 55% | 0.552 | 12% | 0.12 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -52.1 | 128.4 | 162.3 | -23.7 | 34.5 | 0 | 0 | 0 | 110 | G191 P261 | P189-G191 VanDerWaalsContact C-N 3.27Å; P189-G191 PolarHBondContact O-N 2.94Å; P189-P261 HydrophobicContact CB-CB 4.44Å |
| 190 | G | 98.2 | Very high | 98.7 | Very high | 27 Ų | 27 | 24.7 Ų | 24.7 | 28% | 0.278 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.1 | -1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | K188 H192 K259 | K188-G190 PolarHBondContact O-N 3.33Å; G190-H192 PolarHBondContact O-CE1 2.64Å; G190-K259 VanDerWaalsContact CA-O 3.28Å; G190-K259 WeakPolarHBondContact CA-O 3.41Å; G190-K259 PolarHBondContact N-O 2.83Å |
| 191 | G | 98.7 | Very high | 98.7 | Very high | 5 Ų | 5 | 25 Ų | 25 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 169.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D158 K188 P189 K259 | D158-G191 CarbonylContact O-C 3.56Å; D158-G191 VanDerWaalsContact O-CA 3.26Å; D158-G191 WeakPolarHBondContact O-CA 3.11Å; K188-G191 PolarHBondContact O-N 3.26Å; P189-G191 VanDerWaalsContact C-N 3.27Å; P189-G191 PolarHBondContact O-N 2.94Å; G191-K259 WeakPolarHBondContact O-CB 3.44Å; G191-K259 PolarHBondContact O-N 2.92Å |
| 192 | H | 98.9 | Very high | 98.6 | Very high | 33 Ų | 33 | 25.5 Ų | 25.5 | 15% | 0.153 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 137.5 | -171.1 | -61.7 | 79.4 | 0 | 0 | 0 | 112.8 | L54 D158 C159 V160 L187 G190 E233 A257 | L54-H192 HydrophobicContact CD1-CB 3.74Å; D158-H192 PolarHBondContact O-N 3.14Å; C159-H192 CarbonylContact C-O 3.58Å; C159-H192 VanDerWaalsContact CA-O 3.32Å; C159-H192 WeakPolarHBondContact CA-O 3.26Å; V160-H192 PolarHBondContact N-O 2.86Å; L187-H192 WeakPolarHBondContact CD2-O 3.36Å; G190-H192 PolarHBondContact O-CE1 2.64Å; H192-E233 IonicContact CD2-OE2 2.91Å; H192-E233 IonicContact NE2-OE2 2.7Å; H192-E233 PolarHBondContact NE2-OE2 2.63Å; H192-A257 CarbonylContact C-O 3.56Å; H192-A257 WeakPolarHBondContact CA-O 3.19Å |
| 193 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126.4 | 159.2 | 173.9 | 64.7 | 0 | 0 | 0 | 108 | V160 T162 L180 L183 L187 T195 F230 V256 A257 | V160-L193 HydrophobicContact CG1-CD1 4.16Å; V160-L193 CarbonylContact O-C 3.55Å; V160-L193 WeakPolarHBondContact O-CA 3.37Å; T162-L193 HydrophobicContact CG2-CD1 4.24Å; L180-L193 HydrophobicContact CD2-CD2 3.84Å; L183-L193 HydrophobicContact CD1-CD1 4.24Å; L187-L193 HydrophobicContact CD1-CB 4.36Å; L193-T195 HydrophobicContact CD2-CG2 4.39Å; L193-T195 HydrophobicContact CG-CG2 4.38Å; L193-F230 HydrophobicContact CB-CD1 4.09Å; L193-F230 HydrophobicContact CB-CE1 3.63Å; L193-F230 HydrophobicContact CB-CZ 4.05Å; L193-F230 HydrophobicContact CD2-CE2 4.37Å; L193-F230 HydrophobicContact CD2-CZ 4.29Å; L193-V256 WeakPolarHBondContact O-CA 3.23Å; L193-A257 PolarHBondContact N-O 3.06Å; L193-A257 PolarHBondContact O-N 3.15Å |
| 194 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.7 | 167.3 | -178.9 | 0 | 0 | 0 | 0 | 107.3 | T48 F49 L54 V160 L161 T162 I255 V256 | T48-V194 HydrophobicContact CG2-CG1 4.05Å; T48-V194 HydrophobicContact CG2-CG2 3.84Å; F49-V194 HydrophobicContact CE1-CG2 4.25Å; F49-V194 HydrophobicContact CE2-CG1 4.31Å; F49-V194 HydrophobicContact CZ-CB 4.14Å; F49-V194 HydrophobicContact CZ-CG1 4.17Å; F49-V194 HydrophobicContact CZ-CG2 3.82Å; L54-V194 HydrophobicContact CD1-CG2 3.74Å; V160-V194 PolarHBondContact O-N 2.89Å; L161-V194 CarbonylContact C-O 3.08Å; L161-V194 VanDerWaalsContact CA-O 3.31Å; L161-V194 WeakPolarHBondContact CA-O 3.46Å; L161-V194 HydrophobicContact CD1-CB 3.66Å; L161-V194 HydrophobicContact CD1-CG1 3.59Å; T162-V194 PolarHBondContact N-O 2.81Å; V194-I255 WeakPolarHBondContact CA-O 3.26Å; V194-V256 HydrophobicContact CG2-CG1 4.37Å; V194-V256 HydrophobicContact CG2-CG2 4.32Å |
| 195 | T | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 143.2 | -177.8 | -174.5 | 0 | 0 | 0 | 0 | 112.9 | T162 L193 C254 I255 | T162-T195 WeakPolarHBondContact CG2-OG1 3.43Å; T162-T195 WeakPolarHBondContact O-CA 3.47Å; T162-T195 WeakPolarHBondContact O-CB 3.27Å; T162-T195 PolarHBondContact O-OG1 3.02Å; L193-T195 HydrophobicContact CD2-CG2 4.39Å; L193-T195 HydrophobicContact CG-CG2 4.38Å; T195-C254 CarbonylContact O-C 3.49Å; T195-C254 VanDerWaalsContact O-CA 3.3Å; T195-C254 WeakPolarHBondContact O-CA 3.32Å; T195-I255 HydrophobicContact CG2-CB 4.05Å; T195-I255 PolarHBondContact N-O 2.81Å; T195-I255 PolarHBondContact O-N 3.22Å |
| 196 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134 | 162.8 | -56.8 | 0 | 0 | 0 | 0 | 109.5 | N41 T162 L164 V252 C253 | N41-T196 WeakPolarHBondContact OD1-CB 3.42Å; N41-T196 VanDerWaalsContact OD1-CG2 3.24Å; N41-T196 WeakPolarHBondContact OD1-CG2 3.45Å; N41-T196 PolarHBondContact OD1-OG1 2.71Å; T162-T196 PolarHBondContact O-N 3.3Å; L164-T196 HydrophobicContact CD2-CG2 3.92Å; L164-T196 PolarHBondContact N-O 2.71Å; T196-V252 HydrophobicContact CG2-CG2 3.24Å; T196-C253 CarbonylContact C-O 3.58Å; T196-C253 VanDerWaalsContact CA-O 3.24Å; T196-C253 WeakPolarHBondContact CA-O 3.45Å; T196-C253 WeakPolarHBondContact CG2-O 3.49Å |
| 197 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.8 | 177.3 | 60.9 | 0 | 0 | 0 | 0 | 110.8 | E167 L199 L216 V221 V252 C253 | E167-V197 HydrophobicContact CB-CG2 4.16Å; E167-V197 HydrophobicContact CG-CG2 4.44Å; V197-L199 HydrophobicContact CG1-CD2 4.39Å; V197-L216 HydrophobicContact CG2-CD1 4.22Å; V197-V221 HydrophobicContact CG1-CB 4.45Å; V197-V221 HydrophobicContact CG1-CG1 3.79Å; V197-V221 HydrophobicContact CG1-CG2 3.91Å; V197-V221 HydrophobicContact CG2-CG2 4.42Å; V197-V252 WeakPolarHBondContact O-CA 3.26Å; V197-V252 WeakPolarHBondContact O-CG2 3.46Å; V197-C253 HydrophobicContact CG1-CB 4.08Å; V197-C253 PolarHBondContact N-O 2.9Å; V197-C253 PolarHBondContact O-N 3.02Å |
| 198 | T | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 136.8 | 169.7 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | L164 E167 L201 Y242 N249 | L164-T198 HydrophobicContact CD2-CG2 3.81Å; E167-T198 PolarHBondContact OE1-N 3.07Å; E167-T198 PolarHBondContact OE1-OG1 2.92Å; T198-L201 HydrophobicContact CG2-CD2 4.38Å; T198-L201 WeakPolarHBondContact OG1-CD2 3.35Å; T198-Y242 HydrophobicContact CG2-CE2 3.94Å; T198-N249 HydrophobicContact CG2-CB 4.33Å |
| 199 | L | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -97.1 | 143.9 | -175.3 | -58.3 | 176.9 | 0 | 0 | 0 | 111.1 | V197 L201 K218 V221 N250 G251 C253 | V197-L199 HydrophobicContact CG1-CD2 4.39Å; L199-L201 PolarHBondContact O-N 2.81Å; L199-K218 HydrophobicContact CD1-CB 3.87Å; L199-K218 HydrophobicContact CD2-CB 4.26Å; L199-V221 HydrophobicContact CD2-CG2 4.28Å; L199-N250 WeakPolarHBondContact CB-O 3.49Å; L199-N250 PolarHBondContact O-N 2.96Å; L199-G251 PolarHBondContact N-O 3.41Å; L199-C253 HydrophobicContact CD1-CB 4.4Å; L199-C253 HydrophobicContact CD2-CB 4.33Å |
| 200 | R | 98.6 | Very high | 98.3 | Very high | 118 Ų | 118 | 39.2 Ų | 39.2 | 45% | 0.445 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 50.9 | 28.9 | 178.2 | -51.9 | -174.1 | -177.5 | 164.4 | -1.9 | 114.6 | P202 L216 E217 N250 | R200-P202 WeakPolarHBondContact O-CD 3.4Å; R200-L216 PolarHBondContact N-O 3.11Å; R200-E217 WeakPolarHBondContact CD-OE1 3.47Å; R200-E217 WeakPolarHBondContact CG-OE1 3.29Å; R200-E217 IonicContact CZ-OE1 3.73Å; R200-E217 IonicContact CZ-OE2 2.71Å; R200-E217 IonicContact NE-OE1 3.69Å; R200-E217 PolarHBondContact NE-OE1 3.12Å; R200-E217 IonicContact NE-OE2 3.63Å; R200-E217 PolarHBondContact NE-OE2 3.03Å; R200-E217 IonicContact NH2-OE1 2.9Å; R200-E217 IonicContact NH2-OE2 2.71Å; R200-E217 PolarHBondContact NH2-OE2 3.32Å; R200-N250 HydrophobicContact CB-CB 4.11Å; R200-N250 HydrophobicContact CG-CB 4.38Å; R200-N250 PolarHBondContact NH1-ND2 2.87Å |
| 201 | L | 98.4 | Very high | 98.3 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | trans | -89.5 | 116.7 | -179.6 | -178 | 62.6 | 0 | 0 | 0 | 110.3 | T198 L199 S203 C213 V214 A215 A247 N249 | T198-L201 HydrophobicContact CG2-CD2 4.38Å; T198-L201 WeakPolarHBondContact OG1-CD2 3.35Å; L199-L201 PolarHBondContact O-N 2.81Å; L201-S203 WeakPolarHBondContact CD1-O 3.42Å; L201-C213 HydrophobicContact CB-CB 4.4Å; L201-C213 HydrophobicContact CD2-CB 4.32Å; L201-C213 HydrophobicContact CG-CB 4.05Å; L201-C213 WeakPolarHBondContact O-CB 3.27Å; L201-V214 CarbonylContact O-C 3.59Å; L201-A215 WeakPolarHBondContact O-CA 3.5Å; L201-A215 PolarHBondContact O-N 3.33Å; L201-A247 HydrophobicContact CD1-CB 3.72Å; L201-A247 HydrophobicContact CD2-CB 4.3Å; L201-N249 HydrophobicContact CB-CB 4.02Å; L201-N249 HydrophobicContact CD1-CB 4.04Å; L201-N249 HydrophobicContact CG-CB 4.45Å | ||
| 202 | P | 97.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 39 Ų | 39 | 49% | 0.487 | 19% | 0.191 | S | C | . | . | trans | -89.4 | -25.4 | 178 | 33.6 | -35.4 | 0 | 0 | 0 | 113.7 | R200 C213 | R200-P202 WeakPolarHBondContact O-CD 3.4Å; P202-C213 CarbonylContact C-O 3.59Å; P202-C213 PolarHBondContact O-N 3.42Å; P202-C213 VanDerWaalsContact O-O 3.06Å | ||
| 203 | S | 98.4 | Very high | 98.3 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 160.2 | -179.7 | 58.1 | 0 | 0 | 0 | 0 | 111.7 | L201 E210 F211 | L201-S203 WeakPolarHBondContact CD1-O 3.42Å; S203-E210 WeakPolarHBondContact CB-OE1 3.33Å; S203-E210 PolarHBondContact OG-OE1 3.18Å; S203-F211 CarbonylContact C-O 3.57Å; S203-F211 WeakPolarHBondContact CA-O 3.19Å; S203-F211 WeakPolarHBondContact CB-O 3.24Å |
| 204 | Y | 98.7 | Very high | 98.3 | Very high | 20 Ų | 20 | 38.5 Ų | 38.5 | 8% | 0.078 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 160.1 | 177.2 | 77 | -73.2 | 0 | 0 | 0 | 111.8 | Y11 F15 Y20 Y24 C168 V206 E210 F211 C213 N246 | Y11-Y204 WeakPolarHBondContact CE1-OH 3.36Å; Y11-Y204 WeakPolarHBondContact OH-CE1 3.4Å; Y11-Y204 PolarHBondContact OH-OH 3Å; F15-Y204 HydrophobicContact CE2-CE2 4.38Å; Y20-Y204 HydrophobicContact CD2-CE2 4.39Å; Y20-Y204 HydrophobicContact CE2-CE2 4.17Å; Y24-Y204 HydrophobicContact CE2-CD2 4.09Å; Y24-Y204 WeakPolarHBondContact OH-CD2 3.43Å; C168-Y204 HydrophobicContact CB-CE1 4.24Å; C168-Y204 VanDerWaalsContact SG-CE1 3.54Å; Y204-V206 HydrophobicContact CD2-CG2 4.14Å; Y204-V206 HydrophobicContact CE2-CG2 3.56Å; Y204-E210 CarbonylContact O-C 3.42Å; Y204-E210 WeakPolarHBondContact O-CA 3.49Å; Y204-F211 HydrophobicContact CD1-CB 3.72Å; Y204-F211 HydrophobicContact CE1-CB 3.24Å; Y204-F211 HydrophobicContact CE1-CG 4.22Å; Y204-F211 HydrophobicContact CE2-CB 4.44Å; Y204-F211 PolarHBondContact N-O 2.6Å; Y204-F211 PolarHBondContact O-N 2.54Å; Y204-C213 WeakPolarHBondContact CD1-SG 3.45Å; Y204-N246 CarbonylContact C-O 3.49Å; Y204-N246 WeakPolarHBondContact CA-O 3.21Å |
| 205 | M | 98.6 | Very high | 98.2 | Very high | 41 Ų | 41 | 41.1 Ų | 41.1 | 20% | 0.202 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.3 | -176.3 | -61.7 | -59.2 | -66 | 0 | 0 | 111.8 | Y24 K208 R209 E210 T245 N246 | Y24-M205 WeakPolarHBondContact CE2-O 3.2Å; Y24-M205 PolarHBondContact OH-N 2.79Å; Y24-M205 PolarHBondContact OH-O 2.85Å; M205-K208 VanDerWaalsContact CE-C 3.46Å; M205-K208 WeakPolarHBondContact CE-O 3.07Å; M205-R209 CarbonylContact C-O 3.12Å; M205-R209 WeakPolarHBondContact CA-O 3.33Å; M205-E210 HydrophobicContact CE-CB 4.39Å; M205-E210 HydrophobicContact SD-CB 3.6Å; M205-E210 HydrophobicContact SD-CG 3.92Å; M205-T245 VanDerWaalsContact CG-O 3.28Å; M205-T245 WeakPolarHBondContact CG-O 3.37Å; M205-N246 PolarHBondContact N-O 3.27Å |
| 206 | V | 98.3 | Very high | 98.2 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 97.9 | 166 | -179.8 | 0 | 0 | 0 | 0 | 107 | F15 D19 Y20 Y204 K208 R209 F211 | F15-V206 HydrophobicContact CD2-CG2 3.95Å; F15-V206 HydrophobicContact CE2-CG1 4.47Å; F15-V206 HydrophobicContact CE2-CG2 3.57Å; F15-V206 HydrophobicContact CZ-CG2 4.26Å; D19-V206 HydrophobicContact CB-CG1 3.99Å; Y20-V206 HydrophobicContact CD2-CG2 4.12Å; Y204-V206 HydrophobicContact CD2-CG2 4.14Å; Y204-V206 HydrophobicContact CE2-CG2 3.56Å; V206-K208 PolarHBondContact O-N 3.45Å; V206-R209 PolarHBondContact N-O 3.18Å; V206-R209 PolarHBondContact O-N 3.46Å; V206-F211 HydrophobicContact CB-CD2 4.02Å; V206-F211 HydrophobicContact CB-CE2 3.8Å; V206-F211 HydrophobicContact CG2-CD2 3.57Å; V206-F211 HydrophobicContact CG2-CE2 3.71Å |
| 207 | G | 95.6 | Very high | 98.2 | Very high | 32 Ų | 32 | 44.2 Ų | 44.2 | 33% | 0.33 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | -107.7 | -168 | 0 | 0 | 0 | 0 | 0 | 110.8 | T23 | T23-G207 PolarHBondContact OG1-N 2.86Å; T23-G207 VanDerWaalsContact OG1-N 3.15Å |
| 208 | K | 96 | Very high | 98.2 | Very high | 209 Ų | 209 | 46.5 Ų | 46.5 | 91% | 0.909 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 1.3 | 179.4 | -61.7 | -177 | -177.3 | 179.8 | 0 | 114.1 | M205 V206 | M205-K208 VanDerWaalsContact CE-C 3.46Å; M205-K208 WeakPolarHBondContact CE-O 3.07Å; V206-K208 PolarHBondContact O-N 3.45Å |
| 209 | R | 97.9 | Very high | 98.2 | Very high | 100 Ų | 100 | 51.8 Ų | 51.8 | 38% | 0.377 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129.6 | -177.1 | -176.2 | 162.1 | -68.9 | -99.4 | -6.8 | 110.9 | E10 M205 V206 F211 | E10-R209 IonicContact OE1-CZ 2.66Å; E10-R209 IonicContact OE1-NH1 3.02Å; E10-R209 PolarHBondContact OE1-NH1 3.47Å; M205-R209 CarbonylContact C-O 3.12Å; M205-R209 WeakPolarHBondContact CA-O 3.33Å; V206-R209 PolarHBondContact N-O 3.18Å; V206-R209 PolarHBondContact O-N 3.46Å; R209-F211 HydrophobicContact CB-CE2 4.08Å; R209-F211 HydrophobicContact CG-CD2 4.22Å; R209-F211 HydrophobicContact CG-CE2 3.66Å; R209-F211 HydrophobicContact CG-CZ 4.15Å |
| 210 | E | 98.4 | Very high | 98.2 | Very high | 116 Ų | 116 | 54.6 Ų | 54.6 | 54% | 0.542 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 136.9 | 175.5 | -169.3 | 176.8 | 176.6 | 0 | 0 | 110.7 | S203 Y204 M205 | S203-E210 WeakPolarHBondContact CB-OE1 3.33Å; S203-E210 PolarHBondContact OG-OE1 3.18Å; Y204-E210 CarbonylContact O-C 3.42Å; Y204-E210 WeakPolarHBondContact O-CA 3.49Å; M205-E210 HydrophobicContact CE-CB 4.39Å; M205-E210 HydrophobicContact SD-CB 3.6Å; M205-E210 HydrophobicContact SD-CG 3.92Å |
| 211 | F | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.5 | 172.7 | -73.8 | -93.1 | 0 | 0 | 0 | 109.2 | T6 E10 Y11 F15 S203 Y204 V206 R209 | T6-F211 HydrophobicContact CG2-CD1 4.44Å; E10-F211 HydrophobicContact CG-CE1 4.08Å; Y11-F211 HydrophobicContact CD1-CD1 4.29Å; Y11-F211 HydrophobicContact CD1-CE1 4.11Å; Y11-F211 HydrophobicContact CD2-CD1 4.16Å; Y11-F211 HydrophobicContact CD2-CE1 4.23Å; Y11-F211 AromaticContact CE1-CD1 3.88Å; Y11-F211 HydrophobicContact CE1-CD1 3.88Å; Y11-F211 HydrophobicContact CE1-CE1 4.13Å; Y11-F211 AromaticContact CE2-CD1 3.74Å; Y11-F211 HydrophobicContact CE2-CD1 3.74Å; Y11-F211 HydrophobicContact CE2-CE1 4.27Å; Y11-F211 HydrophobicContact CG-CD1 4.41Å; Y11-F211 HydrophobicContact CG-CE1 4.14Å; Y11-F211 AromaticContact CZ-CD1 3.56Å; F15-F211 HydrophobicContact CB-CE1 4.33Å; F15-F211 HydrophobicContact CB-CZ 3.92Å; F15-F211 HydrophobicContact CD2-CE1 4.25Å; F15-F211 HydrophobicContact CD2-CE2 4.14Å; F15-F211 AromaticContact CD2-CZ 3.96Å; F15-F211 HydrophobicContact CD2-CZ 3.96Å; F15-F211 HydrophobicContact CG-CZ 4.4Å; S203-F211 CarbonylContact C-O 3.57Å; S203-F211 WeakPolarHBondContact CA-O 3.19Å; S203-F211 WeakPolarHBondContact CB-O 3.24Å; Y204-F211 HydrophobicContact CD1-CB 3.72Å; Y204-F211 HydrophobicContact CE1-CB 3.24Å; Y204-F211 HydrophobicContact CE1-CG 4.22Å; Y204-F211 HydrophobicContact CE2-CB 4.44Å; Y204-F211 PolarHBondContact N-O 2.6Å; Y204-F211 PolarHBondContact O-N 2.54Å; V206-F211 HydrophobicContact CB-CD2 4.02Å; V206-F211 HydrophobicContact CB-CE2 3.8Å; V206-F211 HydrophobicContact CG2-CD2 3.57Å; V206-F211 HydrophobicContact CG2-CE2 3.71Å; R209-F211 HydrophobicContact CB-CE2 4.08Å; R209-F211 HydrophobicContact CG-CD2 4.22Å; R209-F211 HydrophobicContact CG-CE2 3.66Å; R209-F211 HydrophobicContact CG-CZ 4.15Å |
| 212 | S | 98.5 | Very high | 98.2 | Very high | 26 Ų | 26 | 51 Ų | 51 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 149.4 | -179.1 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | F5 T6 | F5-S212 VanDerWaalsContact CD2-CB 3.41Å; T6-S212 PolarHBondContact N-OG 3.28Å; T6-S212 PolarHBondContact OG1-N 2.9Å |
| 213 | C | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.054 | 26% | 0.26 | C | S | . | . | trans | -128.3 | 150.1 | 167.5 | -64.5 | 0 | 0 | 0 | 0 | 109.5 | E167 C168 L201 P202 Y204 A215 | E167-C213 CarbonylContact O-C 3.54Å; E167-C213 WeakPolarHBondContact O-CA 3.27Å; C168-C213 VanDerWaalsContact SG-SG 3.67Å; L201-C213 HydrophobicContact CB-CB 4.4Å; L201-C213 HydrophobicContact CD2-CB 4.32Å; L201-C213 HydrophobicContact CG-CB 4.05Å; L201-C213 WeakPolarHBondContact O-CB 3.27Å; P202-C213 CarbonylContact C-O 3.59Å; P202-C213 PolarHBondContact O-N 3.42Å; P202-C213 VanDerWaalsContact O-O 3.06Å; Y204-C213 WeakPolarHBondContact CD1-SG 3.45Å; C213-A215 PolarHBondContact O-N 3.03Å | ||
| 214 | V | 98.4 | Very high | 98.3 | Very high | 15 Ų | 15 | 50.5 Ų | 50.5 | 9% | 0.091 | 25% | 0.25 | C | S | . | . | trans | -75.9 | 120.3 | 162.9 | 57.1 | 0 | 0 | 0 | 0 | 108.4 | E167 C170 L201 L216 | E167-V214 HydrophobicContact CB-CG1 4.27Å; E167-V214 PolarHBondContact O-N 2.98Å; C170-V214 HydrophobicContact CB-CG1 4.15Å; C170-V214 VanDerWaalsContact O-CB 3.26Å; C170-V214 WeakPolarHBondContact O-CB 3.47Å; C170-V214 WeakPolarHBondContact O-CG1 3.4Å; L201-V214 CarbonylContact O-C 3.59Å; V214-L216 HydrophobicContact CG1-CD1 3.97Å; V214-L216 HydrophobicContact CG1-CD2 4.22Å; V214-L216 HydrophobicContact CG1-CG 3.97Å; V214-L216 HydrophobicContact CG2-CD2 3.8Å; V214-L216 HydrophobicContact CG2-CG 4.14Å; V214-L216 PolarHBondContact O-N 3.45Å | ||
| 215 | A | 98.5 | Very high | 98.3 | Very high | 55 Ų | 55 | 49.5 Ų | 49.5 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | trans | -74.2 | 112.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | L201 C213 | L201-A215 WeakPolarHBondContact O-CA 3.5Å; L201-A215 PolarHBondContact O-N 3.33Å; C213-A215 PolarHBondContact O-N 3.03Å | ||
| 216 | L | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | trans | -112.9 | 139.4 | -177.5 | -62.4 | 168.6 | 0 | 0 | 0 | 111 | E167 L173 Y176 V197 R200 V214 V221 | E167-L216 HydrophobicContact CB-CD1 4.47Å; L173-L216 HydrophobicContact CB-CD2 4.31Å; L173-L216 HydrophobicContact CD1-CD2 3.69Å; Y176-L216 HydrophobicContact CD1-CD1 4.16Å; Y176-L216 HydrophobicContact CD2-CD1 3.63Å; Y176-L216 HydrophobicContact CE1-CD1 4.16Å; Y176-L216 HydrophobicContact CE2-CD1 3.62Å; Y176-L216 HydrophobicContact CG-CD1 3.91Å; V197-L216 HydrophobicContact CG2-CD1 4.22Å; R200-L216 PolarHBondContact N-O 3.11Å; V214-L216 HydrophobicContact CG1-CD1 3.97Å; V214-L216 HydrophobicContact CG1-CD2 4.22Å; V214-L216 HydrophobicContact CG1-CG 3.97Å; V214-L216 HydrophobicContact CG2-CD2 3.8Å; V214-L216 HydrophobicContact CG2-CG 4.14Å; V214-L216 PolarHBondContact O-N 3.45Å; L216-V221 HydrophobicContact CB-CG2 3.93Å; L216-V221 HydrophobicContact CD1-CG2 4.14Å | ||
| 217 | E | 98.6 | Very high | 98.3 | Very high | 65 Ų | 65 | 55 Ų | 55 | 30% | 0.304 | 28% | 0.276 | S | S | . | . | trans | -80.5 | 152.8 | 165.5 | -62.2 | -62.5 | 157.2 | 0 | 0 | 110.8 | R200 E219 E220 V221 | R200-E217 WeakPolarHBondContact CD-OE1 3.47Å; R200-E217 WeakPolarHBondContact CG-OE1 3.29Å; R200-E217 IonicContact CZ-OE1 3.73Å; R200-E217 IonicContact CZ-OE2 2.71Å; R200-E217 IonicContact NE-OE1 3.69Å; R200-E217 PolarHBondContact NE-OE1 3.12Å; R200-E217 IonicContact NE-OE2 3.63Å; R200-E217 PolarHBondContact NE-OE2 3.03Å; R200-E217 IonicContact NH2-OE1 2.9Å; R200-E217 IonicContact NH2-OE2 2.71Å; R200-E217 PolarHBondContact NH2-OE2 3.32Å; E217-E219 VanDerWaalsContact C-N 3.28Å; E217-E219 PolarHBondContact O-N 3.39Å; E217-E220 HydrophobicContact CB-CB 4.37Å; E217-E220 HydrophobicContact CB-CG 3.98Å; E217-E220 WeakPolarHBondContact CB-OE2 3.45Å; E217-E220 PolarHBondContact N-OE2 3.16Å; E217-E220 WeakPolarHBondContact O-CB 3.31Å; E217-E220 PolarHBondContact O-N 2.93Å; E217-E220 VanDerWaalsContact O-N 3.13Å; E217-V221 WeakPolarHBondContact O-CG2 2.88Å; E217-V221 PolarHBondContact O-N 2.73Å; E217-V221 VanDerWaalsContact O-N 3.09Å | ||
| 218 | K | 98.3 | Very high | 98.4 | Very high | 49 Ų | 49 | 54 Ų | 54 | 21% | 0.213 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 179.4 | 174.9 | 175.7 | 159.5 | -68.4 | 0 | 111.5 | L199 E220 V221 E222 H237 | L199-K218 HydrophobicContact CD1-CB 3.87Å; L199-K218 HydrophobicContact CD2-CB 4.26Å; K218-E220 VanDerWaalsContact C-N 3.28Å; K218-E220 PolarHBondContact O-N 3.48Å; K218-V221 WeakPolarHBondContact O-CB 3.13Å; K218-V221 PolarHBondContact O-N 3.46Å; K218-E222 WeakPolarHBondContact CE-OE1 3.07Å; K218-E222 WeakPolarHBondContact CG-OE1 3.23Å; K218-E222 IonicContact NZ-OE1 2.66Å; K218-E222 PolarHBondContact NZ-OE1 3.21Å; K218-E222 WeakPolarHBondContact O-CG 3.5Å; K218-E222 PolarHBondContact O-N 3.18Å; K218-H237 HydrophobicContact CD-CB 4.39Å |
| 219 | E | 98.5 | Very high | 98.5 | Very high | 114 Ų | 114 | 45.4 Ų | 45.4 | 53% | 0.533 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.5 | -31.6 | -179.7 | -64.1 | 67.9 | -146.5 | 0 | 0 | 111.7 | E217 Q223 | E217-E219 VanDerWaalsContact C-N 3.28Å; E217-E219 PolarHBondContact O-N 3.39Å; E219-Q223 WeakPolarHBondContact O-CB 3.31Å; E219-Q223 PolarHBondContact O-N 3.1Å |
| 220 | E | 98.8 | Very high | 98.6 | Very high | 67 Ų | 67 | 40.6 Ų | 40.6 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.6 | -41.5 | 174.6 | -67.5 | 174.7 | 140.4 | 0 | 0 | 111.4 | L173 E217 K218 A224 | L173-E220 HydrophobicContact CD1-CB 4.02Å; L173-E220 HydrophobicContact CD2-CB 4.21Å; L173-E220 HydrophobicContact CD2-CG 4.09Å; E217-E220 HydrophobicContact CB-CB 4.37Å; E217-E220 HydrophobicContact CB-CG 3.98Å; E217-E220 WeakPolarHBondContact CB-OE2 3.45Å; E217-E220 PolarHBondContact N-OE2 3.16Å; E217-E220 WeakPolarHBondContact O-CB 3.31Å; E217-E220 PolarHBondContact O-N 2.93Å; E217-E220 VanDerWaalsContact O-N 3.13Å; K218-E220 VanDerWaalsContact C-N 3.28Å; K218-E220 PolarHBondContact O-N 3.48Å; E220-A224 WeakPolarHBondContact O-CB 3.36Å; E220-A224 PolarHBondContact O-N 2.89Å |
| 221 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.2 | -49.9 | 174.5 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | V197 L199 L216 E217 K218 Q223 A224 V225 I255 | V197-V221 HydrophobicContact CG1-CB 4.45Å; V197-V221 HydrophobicContact CG1-CG1 3.79Å; V197-V221 HydrophobicContact CG1-CG2 3.91Å; V197-V221 HydrophobicContact CG2-CG2 4.42Å; L199-V221 HydrophobicContact CD2-CG2 4.28Å; L216-V221 HydrophobicContact CB-CG2 3.93Å; L216-V221 HydrophobicContact CD1-CG2 4.14Å; E217-V221 WeakPolarHBondContact O-CG2 2.88Å; E217-V221 PolarHBondContact O-N 2.73Å; E217-V221 VanDerWaalsContact O-N 3.09Å; K218-V221 WeakPolarHBondContact O-CB 3.13Å; K218-V221 PolarHBondContact O-N 3.46Å; V221-Q223 PolarHBondContact O-N 2.85Å; V221-A224 PolarHBondContact O-N 2.86Å; V221-V225 WeakPolarHBondContact O-CG2 3.37Å; V221-V225 PolarHBondContact O-N 3.17Å; V221-I255 HydrophobicContact CG1-CD1 3.56Å |
| 222 | E | 98.8 | Very high | 98.6 | Very high | 48 Ų | 48 | 40.3 Ų | 40.3 | 22% | 0.224 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.4 | -49.8 | 179.1 | -75.7 | 174.5 | -153.1 | 0 | 0 | 111.6 | K218 A224 V225 L226 I232 L235 | K218-E222 WeakPolarHBondContact CE-OE1 3.07Å; K218-E222 WeakPolarHBondContact CG-OE1 3.23Å; K218-E222 IonicContact NZ-OE1 2.66Å; K218-E222 PolarHBondContact NZ-OE1 3.21Å; K218-E222 WeakPolarHBondContact O-CG 3.5Å; K218-E222 PolarHBondContact O-N 3.18Å; E222-A224 VanDerWaalsContact C-N 3.32Å; E222-A224 PolarHBondContact O-N 2.88Å; E222-V225 PolarHBondContact O-N 3.08Å; E222-L226 WeakPolarHBondContact O-CG 3.34Å; E222-L226 PolarHBondContact O-N 3.22Å; E222-I232 HydrophobicContact CB-CD1 4.05Å; E222-I232 HydrophobicContact CG-CD1 4.01Å; E222-L235 HydrophobicContact CG-CD1 3.48Å; E222-L235 VanDerWaalsContact CG-CD1 3.48Å; E222-L235 WeakPolarHBondContact OE1-CD1 3.16Å |
| 223 | Q | 98.8 | Very high | 98.6 | Very high | 91 Ų | 91 | 43.4 Ų | 43.4 | 43% | 0.425 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 179.2 | -170.1 | 60.7 | 56.1 | 0 | 0 | 111.4 | E219 V221 V225 L226 D227 | E219-Q223 WeakPolarHBondContact O-CB 3.31Å; E219-Q223 PolarHBondContact O-N 3.1Å; V221-Q223 PolarHBondContact O-N 2.85Å; Q223-V225 VanDerWaalsContact C-N 3.33Å; Q223-V225 PolarHBondContact O-N 2.96Å; Q223-L226 PolarHBondContact O-N 3.46Å; Q223-D227 PolarHBondContact NE2-OD1 3.2Å; Q223-D227 WeakPolarHBondContact O-CB 3.38Å; Q223-D227 PolarHBondContact O-N 2.71Å |
| 224 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -38.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y176 R177 L180 E220 V221 E222 A228 | Y176-A224 HydrophobicContact CD1-CB 4.08Å; Y176-A224 HydrophobicContact CE1-CB 4.11Å; R177-A224 HydrophobicContact CG-CB 3.7Å; L180-A224 HydrophobicContact CD1-CB 3.74Å; E220-A224 WeakPolarHBondContact O-CB 3.36Å; E220-A224 PolarHBondContact O-N 2.89Å; V221-A224 PolarHBondContact O-N 2.86Å; E222-A224 VanDerWaalsContact C-N 3.32Å; E222-A224 PolarHBondContact O-N 2.88Å; A224-A228 WeakPolarHBondContact O-CB 3.43Å; A224-A228 PolarHBondContact O-N 3.34Å |
| 225 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 174.4 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | L180 V221 E222 Q223 A228 F230 I232 I255 A257 | L180-V225 HydrophobicContact CD1-CG2 4.12Å; V221-V225 WeakPolarHBondContact O-CG2 3.37Å; V221-V225 PolarHBondContact O-N 3.17Å; E222-V225 PolarHBondContact O-N 3.08Å; Q223-V225 VanDerWaalsContact C-N 3.33Å; Q223-V225 PolarHBondContact O-N 2.96Å; V225-A228 PolarHBondContact O-N 2.89Å; V225-F230 HydrophobicContact CG1-CB 3.82Å; V225-F230 HydrophobicContact CG1-CG 4.38Å; V225-F230 WeakPolarHBondContact O-CB 3.33Å; V225-F230 WeakPolarHBondContact O-CD2 3.32Å; V225-F230 PolarHBondContact O-N 2.88Å; V225-I232 HydrophobicContact CB-CD1 4.45Å; V225-I232 HydrophobicContact CB-CG1 4.48Å; V225-I232 HydrophobicContact CG1-CD1 4.32Å; V225-I232 HydrophobicContact CG1-CG1 3.83Å; V225-I255 HydrophobicContact CG2-CD1 4.44Å; V225-A257 HydrophobicContact CG1-CB 3.53Å |
| 226 | L | 98.7 | Very high | 98.5 | Very high | 66 Ų | 66 | 48.6 Ų | 48.6 | 35% | 0.346 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64 | -44.9 | 177.4 | -65.5 | 173.8 | 0 | 0 | 0 | 112.1 | E222 Q223 A228 G229 I232 | E222-L226 WeakPolarHBondContact O-CG 3.34Å; E222-L226 PolarHBondContact O-N 3.22Å; Q223-L226 PolarHBondContact O-N 3.46Å; L226-A228 VanDerWaalsContact C-N 3.26Å; L226-A228 PolarHBondContact O-N 3.43Å; L226-G229 PolarHBondContact O-N 2.91Å; L226-G229 VanDerWaalsContact O-N 3.07Å; L226-I232 HydrophobicContact CD2-CD1 4.4Å; L226-I232 HydrophobicContact CD2-CG1 4.25Å; L226-I232 HydrophobicContact CG-CD1 4.37Å |
| 227 | D | 98.3 | Very high | 98.4 | Very high | 92 Ų | 92 | 53.1 Ų | 53.1 | 49% | 0.492 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.1 | -32.7 | 178.9 | -67.5 | -16.7 | 0 | 0 | 0 | 111.8 | R177 Q223 G229 | R177-D227 IonicContact NE-OD2 3.5Å; Q223-D227 PolarHBondContact NE2-OD1 3.2Å; Q223-D227 WeakPolarHBondContact O-CB 3.38Å; Q223-D227 PolarHBondContact O-N 2.71Å; D227-G229 PolarHBondContact O-N 3.47Å; D227-G229 VanDerWaalsContact O-N 3.17Å |
| 228 | A | 98.4 | Very high | 98.4 | Very high | 13 Ų | 13 | 51 Ų | 51 | 11% | 0.107 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 4.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L180 A224 V225 L226 F230 | L180-A228 HydrophobicContact CB-CB 3.78Å; A224-A228 WeakPolarHBondContact O-CB 3.43Å; A224-A228 PolarHBondContact O-N 3.34Å; V225-A228 PolarHBondContact O-N 2.89Å; L226-A228 VanDerWaalsContact C-N 3.26Å; L226-A228 PolarHBondContact O-N 3.43Å; A228-F230 HydrophobicContact CB-CD2 3.9Å; A228-F230 HydrophobicContact CB-CE2 3.95Å |
| 229 | G | 98.1 | Very high | 98.3 | Very high | 27 Ų | 27 | 53.6 Ų | 53.6 | 28% | 0.278 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 22.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L226 D227 K260 | L226-G229 PolarHBondContact O-N 2.91Å; L226-G229 VanDerWaalsContact O-N 3.07Å; D227-G229 PolarHBondContact O-N 3.47Å; D227-G229 VanDerWaalsContact O-N 3.17Å; G229-K260 WeakPolarHBondContact O-CB 3.16Å; G229-K260 WeakPolarHBondContact O-CE 3.47Å; G229-K260 PolarHBondContact O-N 3.5Å |
| 230 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 160.2 | 173.3 | -59.1 | -96.6 | 0 | 0 | 0 | 112.1 | A184 L187 L193 V225 A228 A257 R258 K259 K260 | A184-F230 HydrophobicContact CB-CE2 3.62Å; A184-F230 HydrophobicContact CB-CZ 3.52Å; L187-F230 HydrophobicContact CD1-CE1 3.57Å; L187-F230 HydrophobicContact CD1-CZ 3.9Å; L193-F230 HydrophobicContact CB-CD1 4.09Å; L193-F230 HydrophobicContact CB-CE1 3.63Å; L193-F230 HydrophobicContact CB-CZ 4.05Å; L193-F230 HydrophobicContact CD2-CE2 4.37Å; L193-F230 HydrophobicContact CD2-CZ 4.29Å; V225-F230 HydrophobicContact CG1-CB 3.82Å; V225-F230 HydrophobicContact CG1-CG 4.38Å; V225-F230 WeakPolarHBondContact O-CB 3.33Å; V225-F230 WeakPolarHBondContact O-CD2 3.32Å; V225-F230 PolarHBondContact O-N 2.88Å; A228-F230 HydrophobicContact CB-CD2 3.9Å; A228-F230 HydrophobicContact CB-CE2 3.95Å; F230-A257 HydrophobicContact CB-CB 3.75Å; F230-A257 HydrophobicContact CD1-CB 4.16Å; F230-A257 HydrophobicContact CG-CB 4.18Å; F230-R258 CarbonylContact C-O 3.53Å; F230-R258 VanDerWaalsContact CA-O 3.28Å; F230-R258 WeakPolarHBondContact CA-O 3.17Å; F230-K259 HydrophobicContact CD1-CB 3.94Å; F230-K259 HydrophobicContact CE1-CB 3.76Å; F230-K259 HydrophobicContact CE1-CG 4.49Å; F230-K260 WeakPolarHBondContact O-CE 3.49Å; F230-K260 PolarHBondContact O-NZ 3.19Å |
| 231 | D | 98.6 | Very high | 98.1 | Very high | 58 Ų | 58 | 49.8 Ų | 49.8 | 31% | 0.31 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 130.8 | 162.2 | -60.1 | -31.3 | 0 | 0 | 0 | 108 | E233 A257 R258 K260 | D231-E233 PolarHBondContact O-N 3.26Å; D231-A257 CarbonylContact O-C 3.49Å; D231-A257 VanDerWaalsContact O-CA 3.25Å; D231-A257 WeakPolarHBondContact O-CA 3.49Å; D231-R258 PolarHBondContact N-O 3.11Å; D231-R258 PolarHBondContact O-N 2.99Å; D231-K260 VanDerWaalsContact OD1-CD 3.3Å; D231-K260 WeakPolarHBondContact OD1-CD 3.36Å; D231-K260 WeakPolarHBondContact OD1-CE 3.42Å; D231-K260 IonicContact OD1-NZ 3.76Å; D231-K260 PolarHBondContact OD1-NZ 2.99Å; D231-K260 VanDerWaalsContact OD2-CG 3.31Å; D231-K260 WeakPolarHBondContact OD2-CG 3.28Å |
| 232 | I | 98.7 | Very high | 98 | Very high | 51 Ų | 51 | 50.5 Ų | 50.5 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 120.3 | 179.7 | -62.5 | 172.1 | 0 | 0 | 0 | 108.7 | E222 V225 L226 L235 I255 | E222-I232 HydrophobicContact CB-CD1 4.05Å; E222-I232 HydrophobicContact CG-CD1 4.01Å; V225-I232 HydrophobicContact CB-CD1 4.45Å; V225-I232 HydrophobicContact CB-CG1 4.48Å; V225-I232 HydrophobicContact CG1-CD1 4.32Å; V225-I232 HydrophobicContact CG1-CG1 3.83Å; L226-I232 HydrophobicContact CD2-CD1 4.4Å; L226-I232 HydrophobicContact CD2-CG1 4.25Å; L226-I232 HydrophobicContact CG-CD1 4.37Å; I232-L235 HydrophobicContact CG2-CB 4.17Å; I232-I255 HydrophobicContact CG1-CG2 4.28Å; I232-I255 HydrophobicContact CG2-CG2 4.17Å |
| 233 | E | 98.4 | Very high | 98 | Very high | 92 Ų | 92 | 49.9 Ų | 49.9 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -35.4 | 178.9 | -63.2 | -165.3 | 153.3 | 0 | 0 | 111.9 | H192 D231 V256 R258 | H192-E233 IonicContact CD2-OE2 2.91Å; H192-E233 IonicContact NE2-OE2 2.7Å; H192-E233 PolarHBondContact NE2-OE2 2.63Å; D231-E233 PolarHBondContact O-N 3.26Å; E233-V256 PolarHBondContact N-O 2.65Å; E233-R258 HydrophobicContact CG-CB 4.05Å; E233-R258 WeakPolarHBondContact OE1-CB 3.26Å; E233-R258 WeakPolarHBondContact OE1-CD 3.43Å; E233-R258 IonicContact OE1-CZ 2.87Å; E233-R258 IonicContact OE1-NE 3.9Å; E233-R258 PolarHBondContact OE1-NE 2.66Å |
| 234 | Q | 98 | Very high | 97.9 | Very high | 83 Ų | 83 | 50.9 Ų | 50.9 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 141.1 | 175.1 | -52.7 | -175.1 | 24.3 | 0 | 0 | 110.2 | I255 V256 | Q234-I255 WeakPolarHBondContact O-CA 3.22Å; Q234-V256 HydrophobicContact CB-CB 4Å; Q234-V256 HydrophobicContact CB-CG2 4.16Å; Q234-V256 HydrophobicContact CG-CB 4.38Å; Q234-V256 PolarHBondContact N-O 2.78Å; Q234-V256 VanDerWaalsContact N-O 3.13Å; Q234-V256 PolarHBondContact O-N 2.78Å |
| 235 | L | 98.1 | Very high | 97.8 | Very high | 53 Ų | 53 | 55.7 Ų | 55.7 | 28% | 0.277 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 118.4 | 172.3 | -171.5 | 150.8 | 0 | 0 | 0 | 109 | E222 I232 H237 C253 C254 I255 | E222-L235 HydrophobicContact CG-CD1 3.48Å; E222-L235 VanDerWaalsContact CG-CD1 3.48Å; E222-L235 WeakPolarHBondContact OE1-CD1 3.16Å; I232-L235 HydrophobicContact CG2-CB 4.17Å; L235-H237 HydrophobicContact CD2-CB 4.16Å; L235-C253 VanDerWaalsContact CG-SG 3.59Å; L235-C254 WeakPolarHBondContact CA-O 3.41Å; L235-I255 HydrophobicContact CD1-CD1 4.11Å; L235-I255 HydrophobicContact CD1-CG1 4.02Å; L235-I255 HydrophobicContact CG-CG1 4.07Å |
| 236 | L | 97.3 | Very high | 97.7 | Very high | 51 Ų | 51 | 57.4 Ų | 57.4 | 27% | 0.267 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 110.4 | 178 | -60.6 | 172.9 | 0 | 0 | 0 | 108.2 | C44 K47 C254 | C44-L236 HydrophobicContact CB-CD1 4.08Å; C44-L236 VanDerWaalsContact SG-CD1 3.59Å; K47-L236 HydrophobicContact CD-CD1 4.41Å; L236-C254 HydrophobicContact CB-CB 4.3Å; L236-C254 PolarHBondContact N-O 2.83Å; L236-C254 PolarHBondContact O-N 3.3Å |
| 237 | H | 97.4 | Very high | 97.6 | Very high | 95 Ų | 95 | 54.4 Ų | 54.4 | 44% | 0.44 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.8 | 176 | 167.6 | -95.1 | 0 | 0 | 0 | 110.3 | K218 L235 V252 | K218-H237 HydrophobicContact CD-CB 4.39Å; L235-H237 HydrophobicContact CD2-CB 4.16Å; H237-V252 WeakPolarHBondContact CA-O 3.36Å |
| 238 | S | 97.3 | Very high | 97.6 | Very high | 22 Ų | 22 | 52.6 Ų | 52.6 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.1 | 171.2 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | F40 Q240 G251 V252 | F40-S238 VanDerWaalsContact CE2-CB 3.42Å; S238-Q240 PolarHBondContact O-N 3.11Å; S238-Q240 VanDerWaalsContact OG-CB 3.31Å; S238-Q240 WeakPolarHBondContact OG-CB 3.1Å; S238-Q240 PolarHBondContact OG-N 2.97Å; S238-G251 CarbonylContact O-C 3.46Å; S238-G251 WeakPolarHBondContact O-CA 3.13Å; S238-V252 PolarHBondContact N-O 2.66Å; S238-V252 PolarHBondContact O-N 3.3Å |
| 239 | P | 96.9 | Very high | 97.6 | Very high | 103 Ų | 103 | 52.4 Ų | 52.4 | 67% | 0.669 | 30% | 0.303 | S | S | * | . | trans | -73.7 | 2.5 | 172.2 | 34.2 | -36.7 | 0 | 0 | 0 | 112.8 | S241 | P239-S241 PolarHBondContact O-N 2.89Š| ||
| 240 | Q | 95.4 | Very high | 97.5 | Very high | 55 Ų | 55 | 55.1 Ų | 55.1 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | trans | -54.3 | 134.4 | 179 | -173 | 63.4 | 43.5 | 0 | 0 | 111.3 | E36 M37 S238 N249 G251 | E36-Q240 HydrophobicContact CB-CG 4.42Å; M37-Q240 HydrophobicContact CB-CG 4.44Å; M37-Q240 HydrophobicContact CE-CB 4.22Å; M37-Q240 HydrophobicContact CE-CG 3.97Å; M37-Q240 WeakPolarHBondContact CE-O 3.17Å; M37-Q240 HydrophobicContact SD-CG 4.36Å; S238-Q240 PolarHBondContact O-N 3.11Å; S238-Q240 VanDerWaalsContact OG-CB 3.31Å; S238-Q240 WeakPolarHBondContact OG-CB 3.1Å; S238-Q240 PolarHBondContact OG-N 2.97Å; Q240-N249 PolarHBondContact O-ND2 3.17Å; Q240-G251 VanDerWaalsContact O-CA 3.31Å; Q240-G251 WeakPolarHBondContact O-CA 3.41Å | ||
| 241 | S | 97.1 | Very high | 97.5 | Very high | 45 Ų | 45 | 55.1 Ų | 55.1 | 32% | 0.315 | 31% | 0.311 | S | S | . | . | trans | -120.4 | 158.9 | 172.6 | 68.2 | 0 | 0 | 0 | 0 | 110.7 | P33 P239 N249 | P33-S241 VanDerWaalsContact CB-O 3.32Å; P33-S241 WeakPolarHBondContact CB-O 3.45Å; P239-S241 PolarHBondContact O-N 2.89Å; S241-N249 VanDerWaalsContact CA-OD1 3.29Å; S241-N249 WeakPolarHBondContact CA-OD1 3.16Å; S241-N249 WeakPolarHBondContact CB-O 3.19Å | ||
| 242 | Y | 98.2 | Very high | 97.5 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 6% | 0.059 | 30% | 0.297 | C | S | . | . | trans | -73.3 | 175.5 | 163.1 | -71.2 | -71.8 | 0 | 0 | 0 | 110.9 | Y24 E34 M37 L164 T198 V244 A247 N249 | Y24-Y242 AromaticContact CD1-CD1 3.93Å; Y24-Y242 HydrophobicContact CD1-CD1 3.93Å; Y24-Y242 AromaticContact CD1-CE1 3.64Å; Y24-Y242 HydrophobicContact CD1-CE1 3.64Å; Y24-Y242 HydrophobicContact CE1-CD1 4.07Å; Y24-Y242 HydrophobicContact CE1-CE1 4.09Å; Y24-Y242 HydrophobicContact CE1-CG 4.39Å; E34-Y242 HydrophobicContact CB-CD1 4.37Å; E34-Y242 HydrophobicContact CG-CD1 3.87Å; E34-Y242 HydrophobicContact CG-CE1 4.37Å; M37-Y242 HydrophobicContact CB-CD1 4.19Å; M37-Y242 HydrophobicContact CB-CE1 3.66Å; M37-Y242 HydrophobicContact CE-CD2 4.16Å; M37-Y242 HydrophobicContact CE-CE2 4.03Å; M37-Y242 HydrophobicContact CG-CD1 4.42Å; M37-Y242 HydrophobicContact CG-CE1 3.65Å; M37-Y242 HydrophobicContact CG-CE2 3.92Å; M37-Y242 VanDerWaalsContact CG-OH 3.31Å; M37-Y242 WeakPolarHBondContact CG-OH 3.33Å; L164-Y242 WeakPolarHBondContact CD1-OH 3.02Å; T198-Y242 HydrophobicContact CG2-CE2 3.94Å; Y242-V244 PolarHBondContact O-N 3.18Å; Y242-A247 WeakPolarHBondContact CB-O 3.44Å; Y242-A247 HydrophobicContact CD2-CB 3.82Å; Y242-A247 HydrophobicContact CG-CB 4.11Å; Y242-N249 WeakPolarHBondContact CD2-OD1 3.42Å; Y242-N249 PolarHBondContact N-OD1 3.18Å | ||
| 243 | S | 97.1 | Very high | 97.4 | Very high | 35 Ų | 35 | 50 Ų | 50 | 25% | 0.245 | 28% | 0.284 | C | S | . | . | trans | -58.4 | 131.9 | 163.6 | 179.3 | 0 | 0 | 0 | 0 | 109 | E34 T245 N246 A247 | E34-S243 VanDerWaalsContact OE1-CB 3.22Å; E34-S243 WeakPolarHBondContact OE1-CB 3.34Å; E34-S243 PolarHBondContact OE1-N 2.83Å; S243-T245 PolarHBondContact O-N 3.43Å; S243-T245 PolarHBondContact OG-N 3.42Å; S243-T245 PolarHBondContact OG-OG1 2.94Å; S243-N246 WeakPolarHBondContact O-CA 3.11Å; S243-N246 PolarHBondContact O-N 3.35Å; S243-A247 PolarHBondContact O-N 2.61Å | ||
| 244 | V | 96.6 | Very high | 97.4 | Very high | 113 Ų | 113 | 45.7 Ų | 45.7 | 69% | 0.685 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22.6 | 179.1 | -67 | 0 | 0 | 0 | 0 | 113.1 | Y242 N246 | Y242-V244 PolarHBondContact O-N 3.18Å; V244-N246 VanDerWaalsContact C-N 3.29Å |
| 245 | T | 96.7 | Very high | 97.5 | Very high | 101 Ų | 101 | 41.8 Ų | 41.8 | 62% | 0.62 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -24.9 | 173.9 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | M205 S243 | M205-T245 VanDerWaalsContact CG-O 3.28Å; M205-T245 WeakPolarHBondContact CG-O 3.37Å; S243-T245 PolarHBondContact O-N 3.43Å; S243-T245 PolarHBondContact OG-N 3.42Å; S243-T245 PolarHBondContact OG-OG1 2.94Å |
| 246 | N | 97.2 | Very high | 97.5 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 19% | 0.193 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | -45.4 | -177.3 | -65.2 | -16.4 | 0 | 0 | 0 | 111.3 | T23 Y24 E34 Y204 M205 S243 V244 | T23-N246 HydrophobicContact CG2-CB 4.25Å; Y24-N246 HydrophobicContact CE1-CB 4.18Å; Y24-N246 PolarHBondContact OH-O 2.96Å; E34-N246 PolarHBondContact OE1-ND2 3.39Å; Y204-N246 CarbonylContact C-O 3.49Å; Y204-N246 WeakPolarHBondContact CA-O 3.21Å; M205-N246 PolarHBondContact N-O 3.27Å; S243-N246 WeakPolarHBondContact O-CA 3.11Å; S243-N246 PolarHBondContact O-N 3.35Å; V244-N246 VanDerWaalsContact C-N 3.29Å |
| 247 | A | 97.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -162.3 | 109.7 | -179 | 0 | 0 | 0 | 0 | 0 | 109.3 | L201 Y242 S243 N249 | L201-A247 HydrophobicContact CD1-CB 3.72Å; L201-A247 HydrophobicContact CD2-CB 4.3Å; Y242-A247 WeakPolarHBondContact CB-O 3.44Å; Y242-A247 HydrophobicContact CD2-CB 3.82Å; Y242-A247 HydrophobicContact CG-CB 4.11Å; S243-A247 PolarHBondContact O-N 2.61Å; A247-N249 PolarHBondContact O-N 2.89Å; A247-N249 PolarHBondContact O-OD1 3.27Å |
| 248 | A | 97.5 | Very high | 97.6 | Very high | 55 Ų | 55 | 36.2 Ų | 36.2 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | trans | -83.4 | 55.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 249 | N | 98.4 | Very high | 97.7 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.043 | 22% | 0.216 | C | C | . | . | trans | -74.9 | 154.8 | 176.2 | 74.1 | -65 | 0 | 0 | 0 | 110.9 | T198 L201 Q240 S241 Y242 A247 G251 | T198-N249 HydrophobicContact CG2-CB 4.33Å; L201-N249 HydrophobicContact CB-CB 4.02Å; L201-N249 HydrophobicContact CD1-CB 4.04Å; L201-N249 HydrophobicContact CG-CB 4.45Å; Q240-N249 PolarHBondContact O-ND2 3.17Å; S241-N249 VanDerWaalsContact CA-OD1 3.29Å; S241-N249 WeakPolarHBondContact CA-OD1 3.16Å; S241-N249 WeakPolarHBondContact CB-O 3.19Å; Y242-N249 WeakPolarHBondContact CD2-OD1 3.42Å; Y242-N249 PolarHBondContact N-OD1 3.18Å; A247-N249 PolarHBondContact O-N 2.89Å; A247-N249 PolarHBondContact O-OD1 3.27Å; N249-G251 PolarHBondContact ND2-N 3.02Å; N249-G251 PolarHBondContact ND2-O 3.32Å | ||
| 250 | N | 97.1 | Very high | 97.7 | Very high | 85 Ų | 85 | 36.1 Ų | 36.1 | 46% | 0.455 | 20% | 0.201 | S | C | . | . | trans | -114.9 | 77.5 | 171.7 | -176.9 | 38.2 | 0 | 0 | 0 | 109.8 | L199 R200 | L199-N250 WeakPolarHBondContact CB-O 3.49Å; L199-N250 PolarHBondContact O-N 2.96Å; R200-N250 HydrophobicContact CB-CB 4.11Å; R200-N250 HydrophobicContact CG-CB 4.38Å; R200-N250 PolarHBondContact NH1-ND2 2.87Å | ||
| 251 | G | 96.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | 87.8 | 177.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | L199 S238 Q240 N249 | L199-G251 PolarHBondContact N-O 3.41Å; S238-G251 CarbonylContact O-C 3.46Å; S238-G251 WeakPolarHBondContact O-CA 3.13Å; Q240-G251 VanDerWaalsContact O-CA 3.31Å; Q240-G251 WeakPolarHBondContact O-CA 3.41Å; N249-G251 PolarHBondContact ND2-N 3.02Å; N249-G251 PolarHBondContact ND2-O 3.32Å | ||
| 252 | V | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 146.8 | -174.3 | 60.6 | 0 | 0 | 0 | 0 | 108.9 | M37 F40 T196 V197 H237 S238 | M37-V252 HydrophobicContact CE-CB 3.98Å; M37-V252 HydrophobicContact CE-CG1 3.97Å; M37-V252 HydrophobicContact SD-CB 3.87Å; M37-V252 HydrophobicContact SD-CG1 3.63Å; M37-V252 HydrophobicContact SD-CG2 3.93Å; F40-V252 HydrophobicContact CD1-CG1 3.65Å; F40-V252 HydrophobicContact CD1-CG2 4.39Å; F40-V252 HydrophobicContact CE1-CB 4.3Å; F40-V252 HydrophobicContact CE1-CG1 3.42Å; F40-V252 VanDerWaalsContact CE1-CG1 3.42Å; F40-V252 HydrophobicContact CE1-CG2 3.92Å; F40-V252 HydrophobicContact CG-CG1 4.37Å; F40-V252 HydrophobicContact CZ-CG1 3.96Å; T196-V252 HydrophobicContact CG2-CG2 3.24Å; V197-V252 WeakPolarHBondContact O-CA 3.26Å; V197-V252 WeakPolarHBondContact O-CG2 3.46Å; H237-V252 WeakPolarHBondContact CA-O 3.36Å; S238-V252 PolarHBondContact N-O 2.66Å; S238-V252 PolarHBondContact O-N 3.3Å |
| 253 | C | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 125.5 | 179.7 | -165.5 | 0 | 0 | 0 | 0 | 110.2 | T196 V197 L199 L235 | T196-C253 CarbonylContact C-O 3.58Å; T196-C253 VanDerWaalsContact CA-O 3.24Å; T196-C253 WeakPolarHBondContact CA-O 3.45Å; T196-C253 WeakPolarHBondContact CG2-O 3.49Å; V197-C253 HydrophobicContact CG1-CB 4.08Å; V197-C253 PolarHBondContact N-O 2.9Å; V197-C253 PolarHBondContact O-N 3.02Å; L199-C253 HydrophobicContact CD1-CB 4.4Å; L199-C253 HydrophobicContact CD2-CB 4.33Å; L235-C253 VanDerWaalsContact CG-SG 3.59Å |
| 254 | C | 98.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.4 | 168.8 | -174.1 | 0 | 0 | 0 | 0 | 109 | F40 C44 T195 L235 L236 | F40-C254 HydrophobicContact CE1-CB 4.37Å; F40-C254 HydrophobicContact CZ-CB 4.3Å; C44-C254 HydrophobicContact CB-CB 4.03Å; T195-C254 CarbonylContact O-C 3.49Å; T195-C254 VanDerWaalsContact O-CA 3.3Å; T195-C254 WeakPolarHBondContact O-CA 3.32Å; L235-C254 WeakPolarHBondContact CA-O 3.41Å; L236-C254 HydrophobicContact CB-CB 4.3Å; L236-C254 PolarHBondContact N-O 2.83Å; L236-C254 PolarHBondContact O-N 3.3Å |
| 255 | I | 98.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.8 | -174.6 | -62.9 | 176.3 | 0 | 0 | 0 | 109.4 | V194 T195 V221 V225 I232 Q234 L235 A257 | V194-I255 WeakPolarHBondContact CA-O 3.26Å; T195-I255 HydrophobicContact CG2-CB 4.05Å; T195-I255 PolarHBondContact N-O 2.81Å; T195-I255 PolarHBondContact O-N 3.22Å; V221-I255 HydrophobicContact CG1-CD1 3.56Å; V225-I255 HydrophobicContact CG2-CD1 4.44Å; I232-I255 HydrophobicContact CG1-CG2 4.28Å; I232-I255 HydrophobicContact CG2-CG2 4.17Å; Q234-I255 WeakPolarHBondContact O-CA 3.22Å; L235-I255 HydrophobicContact CD1-CD1 4.11Å; L235-I255 HydrophobicContact CD1-CG1 4.02Å; L235-I255 HydrophobicContact CG-CG1 4.07Å; I255-A257 HydrophobicContact CG2-CB 4.08Å |
| 256 | V | 98.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.1 | 163.3 | -177.5 | 0 | 0 | 0 | 0 | 107.4 | T48 L54 L193 V194 E233 Q234 | T48-V256 HydrophobicContact CG2-CG2 3.69Å; L54-V256 HydrophobicContact CD1-CG1 3.84Å; L193-V256 WeakPolarHBondContact O-CA 3.23Å; V194-V256 HydrophobicContact CG2-CG1 4.37Å; V194-V256 HydrophobicContact CG2-CG2 4.32Å; E233-V256 PolarHBondContact N-O 2.65Å; Q234-V256 HydrophobicContact CB-CB 4Å; Q234-V256 HydrophobicContact CB-CG2 4.16Å; Q234-V256 HydrophobicContact CG-CB 4.38Å; Q234-V256 PolarHBondContact N-O 2.78Å; Q234-V256 VanDerWaalsContact N-O 3.13Å; Q234-V256 PolarHBondContact O-N 2.78Å |
| 257 | A | 98.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | H192 L193 V225 F230 D231 I255 | H192-A257 CarbonylContact C-O 3.56Å; H192-A257 WeakPolarHBondContact CA-O 3.19Å; L193-A257 PolarHBondContact N-O 3.06Å; L193-A257 PolarHBondContact O-N 3.15Å; V225-A257 HydrophobicContact CG1-CB 3.53Å; F230-A257 HydrophobicContact CB-CB 3.75Å; F230-A257 HydrophobicContact CD1-CB 4.16Å; F230-A257 HydrophobicContact CG-CB 4.18Å; D231-A257 CarbonylContact O-C 3.49Å; D231-A257 VanDerWaalsContact O-CA 3.25Å; D231-A257 WeakPolarHBondContact O-CA 3.49Å; I255-A257 HydrophobicContact CG2-CB 4.08Å |
| 258 | R | 98.8 | Very high | 93 | Very high | 80 Ų | 80 | 43.7 Ų | 43.7 | 30% | 0.302 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 127.6 | -179.6 | -173.8 | 170.5 | 59.3 | 88.6 | 13.2 | 110.1 | F230 D231 E233 K260 | F230-R258 CarbonylContact C-O 3.53Å; F230-R258 VanDerWaalsContact CA-O 3.28Å; F230-R258 WeakPolarHBondContact CA-O 3.17Å; D231-R258 PolarHBondContact N-O 3.11Å; D231-R258 PolarHBondContact O-N 2.99Å; E233-R258 HydrophobicContact CG-CB 4.05Å; E233-R258 WeakPolarHBondContact OE1-CB 3.26Å; E233-R258 WeakPolarHBondContact OE1-CD 3.43Å; E233-R258 IonicContact OE1-CZ 2.87Å; E233-R258 IonicContact OE1-NE 3.9Å; E233-R258 PolarHBondContact OE1-NE 2.66Å; R258-K260 PolarHBondContact O-N 2.88Å |
| 259 | K | 98.6 | Very high | 92.6 | Very high | 43 Ų | 43 | 42.9 Ų | 42.9 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 123.6 | 175.6 | 179.4 | 171.7 | 171.5 | -178.5 | 0 | 108.6 | A184 L187 G190 G191 F230 | A184-K259 PolarHBondContact O-NZ 2.89Å; L187-K259 HydrophobicContact CB-CD 3.74Å; L187-K259 PolarHBondContact O-NZ 3.06Å; G190-K259 VanDerWaalsContact CA-O 3.28Å; G190-K259 WeakPolarHBondContact CA-O 3.41Å; G190-K259 PolarHBondContact N-O 2.83Å; G191-K259 WeakPolarHBondContact O-CB 3.44Å; G191-K259 PolarHBondContact O-N 2.92Å; F230-K259 HydrophobicContact CD1-CB 3.94Å; F230-K259 HydrophobicContact CE1-CB 3.76Å; F230-K259 HydrophobicContact CE1-CG 4.49Å |
| 260 | K | 96.7 | Very high | 92.2 | Very high | 79 Ų | 79 | 45.4 Ų | 45.4 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 127.3 | 176.5 | -80.7 | 171.1 | -85.6 | -130.8 | 0 | 109 | G229 F230 D231 R258 G262 | G229-K260 WeakPolarHBondContact O-CB 3.16Å; G229-K260 WeakPolarHBondContact O-CE 3.47Å; G229-K260 PolarHBondContact O-N 3.5Å; F230-K260 WeakPolarHBondContact O-CE 3.49Å; F230-K260 PolarHBondContact O-NZ 3.19Å; D231-K260 VanDerWaalsContact OD1-CD 3.3Å; D231-K260 WeakPolarHBondContact OD1-CD 3.36Å; D231-K260 WeakPolarHBondContact OD1-CE 3.42Å; D231-K260 IonicContact OD1-NZ 3.76Å; D231-K260 PolarHBondContact OD1-NZ 2.99Å; D231-K260 VanDerWaalsContact OD2-CG 3.31Å; D231-K260 WeakPolarHBondContact OD2-CG 3.28Å; R258-K260 PolarHBondContact O-N 2.88Å; K260-G262 PolarHBondContact O-N 3Å |
| 261 | P | 85.4 | Confident | 91.9 | Very high | 78 Ų | 78 | 42.4 Ų | 42.4 | 51% | 0.506 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 131.5 | 166.4 | 25.1 | -29.9 | 0 | 0 | 0 | 106.6 | P189 | P189-P261 HydrophobicContact CB-CB 4.44Š|
| 262 | G | 76.2 | Confident | 91.4 | Very high | 53 Ų | 53 | 45.9 Ų | 45.9 | 55% | 0.546 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 168 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K260 | K260-G262 PolarHBondContact O-N 3Š|
| 263 | P | 49.9 | Very low | 90.8 | Very high | 212 Ų | 212 | 50.1 Ų | 50.1 | 100% | 1.377 | 30% | 0.3 | S | S | * | . | trans | -53.8 | 0 | 171.1 | 25.7 | -34.1 | 0 | 0 | 0 | 112.6 |
Retrieved 263 of 263 residues in 57.4 ms
(Link to these results)