| 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 | 60.9 | Low | 85.9 | Confident | 172 Ų | 172 | 50.6 Ų | 50.6 | 85% | 0.847 | 24% | 0.241 | S | C | * | . | 0 | 137.8 | 0 | -82.1 | -176.8 | -80.2 | 0 | 0 | 108.1 | V136 | M1-V136 HydrophobicContact CB-CG2 4.38Å; M1-V136 HydrophobicContact CE-CG2 3.77Å; M1-V136 HydrophobicContact SD-CG2 3.88Å | |||
| 2 | M | 71.4 | Confident | 86.6 | Confident | 101 Ų | 101 | 46.4 Ų | 46.4 | 50% | 0.498 | 22% | 0.221 | S | C | . | . | trans | -79.6 | 131.3 | 178 | -178 | 177 | -86.9 | 0 | 0 | 109.5 | R6 Q7 | M2-R6 HydrophobicContact CG-CB 3.74Å; M2-R6 HydrophobicContact SD-CB 4.2Å; M2-Q7 HydrophobicContact CB-CG 4.15Å; M2-Q7 HydrophobicContact CG-CG 3.91Å; M2-Q7 PolarHBondContact O-NE2 3.14Å; M2-Q7 HydrophobicContact SD-CG 3.92Å | ||
| 3 | E | 81.5 | Confident | 87 | Confident | 84 Ų | 84 | 44.7 Ų | 44.7 | 39% | 0.393 | 21% | 0.213 | S | C | . | . | trans | -54.6 | 145.6 | 178 | -61 | 175.3 | 133.7 | 0 | 0 | 111.5 | W5 R6 Q7 | E3-W5 VanDerWaalsContact C-N 3.3Å; E3-W5 PolarHBondContact O-N 3.4Å; E3-W5 PolarHBondContact OE2-NE1 2.94Å; E3-R6 HydrophobicContact CB-CB 4.45Å; E3-R6 HydrophobicContact CB-CG 4.22Å; E3-R6 WeakPolarHBondContact O-CB 3.38Å; E3-R6 PolarHBondContact O-N 2.65Å; E3-R6 WeakPolarHBondContact OE2-CD 3.42Å; E3-R6 IonicContact OE2-NE 3.8Å; E3-R6 PolarHBondContact OE2-NE 3.08Å; E3-Q7 PolarHBondContact O-N 2.76Å; E3-Q7 VanDerWaalsContact O-N 3.13Å | ||
| 4 | Y | 86.8 | Confident | 87.4 | Confident | 26 Ų | 26 | 47.6 Ų | 47.6 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.4 | -41.4 | -174 | -175.6 | -127.4 | 0 | 0 | 0 | 113 | R6 Q7 C8 M110 D111 S114 F130 P131 R135 | Y4-R6 PolarHBondContact O-N 3.22Å; Y4-Q7 PolarHBondContact O-N 2.69Å; Y4-C8 PolarHBondContact O-N 3.39Å; Y4-M110 HydrophobicContact CD1-CB 4.26Å; Y4-M110 HydrophobicContact CD1-CE 4.14Å; Y4-M110 HydrophobicContact CE1-CB 3.74Å; Y4-M110 HydrophobicContact CE1-CE 4.26Å; Y4-D111 PolarHBondContact OH-OD1 2.86Å; Y4-S114 WeakPolarHBondContact OH-CB 3.27Å; Y4-F130 HydrophobicContact CE2-CD2 4.13Å; Y4-F130 HydrophobicContact CE2-CE2 4.19Å; Y4-P131 HydrophobicContact CD2-CB 4.13Å; Y4-P131 HydrophobicContact CD2-CG 4.46Å; Y4-P131 HydrophobicContact CE2-CB 4Å; Y4-P131 HydrophobicContact CE2-CG 3.91Å; Y4-R135 PolarHBondContact OH-NH2 3.19Å; Y4-R135 VanDerWaalsContact OH-NH2 3.09Å |
| 5 | W | 89.9 | Confident | 87.7 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68 | -33.2 | 178.3 | 75.2 | -91.6 | 0 | 0 | 0 | 113.3 | E3 C8 A9 A29 V31 L34 M110 | E3-W5 VanDerWaalsContact C-N 3.3Å; E3-W5 PolarHBondContact O-N 3.4Å; E3-W5 PolarHBondContact OE2-NE1 2.94Å; W5-C8 WeakPolarHBondContact O-CB 3.5Å; W5-C8 PolarHBondContact O-N 2.79Å; W5-A9 PolarHBondContact O-N 3.46Å; W5-A29 HydrophobicContact CH2-CB 3.83Å; W5-A29 WeakPolarHBondContact CZ2-O 3.36Å; W5-V31 HydrophobicContact CB-CB 4.38Å; W5-V31 HydrophobicContact CB-CG2 3.88Å; W5-V31 HydrophobicContact CD2-CB 4.03Å; W5-V31 HydrophobicContact CD2-CG2 4.41Å; W5-V31 HydrophobicContact CG-CB 3.86Å; W5-V31 HydrophobicContact CG-CG2 3.91Å; W5-L34 HydrophobicContact CB-CD2 4.17Å; W5-L34 HydrophobicContact CE3-CB 4.05Å; W5-L34 HydrophobicContact CE3-CD2 4.1Å; W5-L34 HydrophobicContact CZ3-CB 4.4Å; W5-M110 HydrophobicContact CB-CE 4.16Å |
| 6 | R | 90.7 | Very high | 87.8 | Confident | 55 Ų | 55 | 52.3 Ų | 52.3 | 21% | 0.208 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.3 | -34.2 | 175 | -67.6 | -173.2 | 178.5 | -98.1 | 5.9 | 112.1 | M2 E3 Y4 C8 A9 L10 W26 E27 A29 | M2-R6 HydrophobicContact CG-CB 3.74Å; M2-R6 HydrophobicContact SD-CB 4.2Å; E3-R6 HydrophobicContact CB-CB 4.45Å; E3-R6 HydrophobicContact CB-CG 4.22Å; E3-R6 WeakPolarHBondContact O-CB 3.38Å; E3-R6 PolarHBondContact O-N 2.65Å; E3-R6 WeakPolarHBondContact OE2-CD 3.42Å; E3-R6 IonicContact OE2-NE 3.8Å; E3-R6 PolarHBondContact OE2-NE 3.08Å; Y4-R6 PolarHBondContact O-N 3.22Å; R6-C8 VanDerWaalsContact C-N 3.32Å; R6-A9 PolarHBondContact O-N 3.45Å; R6-L10 PolarHBondContact O-N 3.49Å; R6-W26 PolarHBondContact NH1-O 2.65Å; R6-E27 PolarHBondContact NH2-O 2.98Å; R6-A29 PolarHBondContact NH2-O 3Å |
| 7 | Q | 91.3 | Very high | 87.8 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.5 | -39.3 | 172.5 | -64.2 | -177.7 | 47.2 | 0 | 0 | 111.5 | M2 E3 Y4 L10 W11 F130 P131 | M2-Q7 HydrophobicContact CB-CG 4.15Å; M2-Q7 HydrophobicContact CG-CG 3.91Å; M2-Q7 PolarHBondContact O-NE2 3.14Å; M2-Q7 HydrophobicContact SD-CG 3.92Å; E3-Q7 PolarHBondContact O-N 2.76Å; E3-Q7 VanDerWaalsContact O-N 3.13Å; Y4-Q7 PolarHBondContact O-N 2.69Å; Q7-L10 PolarHBondContact O-N 2.81Å; Q7-W11 WeakPolarHBondContact O-CB 3.19Å; Q7-W11 PolarHBondContact O-N 2.76Å; Q7-F130 HydrophobicContact CB-CB 4.25Å; Q7-F130 HydrophobicContact CB-CD2 4.44Å; Q7-P131 VanDerWaalsContact OE1-CA 3.24Å |
| 8 | C | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.4 | -44.1 | 173.1 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | Y4 W5 R6 L10 W11 L12 L34 M110 F130 | Y4-C8 PolarHBondContact O-N 3.39Å; W5-C8 WeakPolarHBondContact O-CB 3.5Å; W5-C8 PolarHBondContact O-N 2.79Å; R6-C8 VanDerWaalsContact C-N 3.32Å; C8-L10 VanDerWaalsContact C-N 3.28Å; C8-L10 PolarHBondContact O-N 2.87Å; C8-W11 WeakPolarHBondContact O-CB 3.49Å; C8-W11 PolarHBondContact O-N 3.24Å; C8-W11 VanDerWaalsContact O-N 3.11Å; C8-L12 WeakPolarHBondContact O-CG 3.25Å; C8-L12 PolarHBondContact O-N 3.02Å; C8-L34 HydrophobicContact CB-CD2 4.45Å; C8-M110 HydrophobicContact CB-CE 3.32Å; C8-M110 HydrophobicContact CB-SD 4.28Å; C8-F130 HydrophobicContact CB-CD2 4.12Å; C8-F130 HydrophobicContact CB-CE1 4.32Å; C8-F130 HydrophobicContact CB-CE2 3.55Å; C8-F130 HydrophobicContact CB-CZ 3.64Å; C8-F130 VanDerWaalsContact SG-CZ 3.56Å |
| 9 | A | 92.6 | Very high | 87.5 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.6 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W5 R6 W11 L12 I13 V24 L34 | W5-A9 PolarHBondContact O-N 3.46Å; R6-A9 PolarHBondContact O-N 3.45Å; A9-W11 PolarHBondContact O-N 2.84Å; A9-L12 PolarHBondContact O-N 2.85Å; A9-I13 WeakPolarHBondContact O-CG1 3.36Å; A9-I13 PolarHBondContact O-N 3.09Å; A9-I13 VanDerWaalsContact O-N 3.1Å; A9-V24 HydrophobicContact CB-CG2 4.09Å; A9-L34 HydrophobicContact CB-CD1 4.44Å |
| 10 | L | 92.2 | Very high | 87.2 | Confident | 83 Ų | 83 | 48.3 Ų | 48.3 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 174.6 | -174.8 | 63.1 | 0 | 0 | 0 | 112.4 | R6 Q7 C8 I13 N14 | R6-L10 PolarHBondContact O-N 3.49Å; Q7-L10 PolarHBondContact O-N 2.81Å; C8-L10 VanDerWaalsContact C-N 3.28Å; C8-L10 PolarHBondContact O-N 2.87Å; L10-I13 PolarHBondContact O-N 3.08Å; L10-N14 VanDerWaalsContact O-CG 3.31Å; L10-N14 PolarHBondContact O-N 2.84Å; L10-N14 PolarHBondContact O-ND2 2.98Å |
| 11 | W | 94.6 | Very high | 86.9 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 2% | 0.019 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.6 | -42 | 175.4 | 179.5 | 70.8 | 0 | 0 | 0 | 112.3 | Q7 C8 A9 I13 N14 C15 L47 L51 L116 S117 F130 | Q7-W11 WeakPolarHBondContact O-CB 3.19Å; Q7-W11 PolarHBondContact O-N 2.76Å; C8-W11 WeakPolarHBondContact O-CB 3.49Å; C8-W11 PolarHBondContact O-N 3.24Å; C8-W11 VanDerWaalsContact O-N 3.11Å; A9-W11 PolarHBondContact O-N 2.84Å; W11-I13 VanDerWaalsContact C-N 3.32Å; W11-I13 PolarHBondContact O-N 2.96Å; W11-N14 PolarHBondContact O-N 3.43Å; W11-C15 VanDerWaalsContact CE2-SG 3.5Å; W11-C15 PolarHBondContact O-N 3.12Å; W11-C15 PolarHBondContact O-SG 3.35Å; W11-L47 HydrophobicContact CH2-CD1 3.83Å; W11-L47 HydrophobicContact CH2-CD2 3.84Å; W11-L47 HydrophobicContact CH2-CG 4.3Å; W11-L47 HydrophobicContact CZ2-CD1 4.44Å; W11-L47 HydrophobicContact CZ3-CD1 4Å; W11-L47 HydrophobicContact CZ3-CD2 3.69Å; W11-L47 HydrophobicContact CZ3-CG 4.46Å; W11-L51 HydrophobicContact CH2-CD1 4.11Å; W11-L51 HydrophobicContact CZ2-CD1 4.11Å; W11-L51 HydrophobicContact CZ2-CD2 4.49Å; W11-L116 HydrophobicContact CH2-CD2 4.15Å; W11-L116 HydrophobicContact CH2-CG 4.26Å; W11-S117 VanDerWaalsContact CE2-CB 3.43Å; W11-S117 VanDerWaalsContact CZ2-CB 3.47Å; W11-F130 HydrophobicContact CB-CD1 3.72Å; W11-F130 HydrophobicContact CB-CE1 4.3Å; W11-F130 HydrophobicContact CB-CG 4.35Å; W11-F130 AromaticContact CD2-CD1 3.75Å; W11-F130 HydrophobicContact CD2-CD1 3.75Å; W11-F130 AromaticContact CD2-CE1 3.76Å; W11-F130 HydrophobicContact CD2-CE1 3.76Å; W11-F130 AromaticContact CE3-CD1 3.99Å; W11-F130 HydrophobicContact CE3-CD1 3.99Å; W11-F130 AromaticContact CE3-CE1 3.5Å; W11-F130 HydrophobicContact CE3-CE1 3.5Å; W11-F130 AromaticContact CG-CD1 3.62Å; W11-F130 HydrophobicContact CG-CD1 3.62Å; W11-F130 HydrophobicContact CG-CE1 4.11Å; W11-F130 HydrophobicContact CZ3-CE1 4.08Å |
| 12 | L | 94.3 | Very high | 88 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -37.7 | 175.8 | -68.8 | 171.5 | 0 | 0 | 0 | 112.3 | C8 A9 C15 K16 V17 L18 L34 L38 L47 | C8-L12 WeakPolarHBondContact O-CG 3.25Å; C8-L12 PolarHBondContact O-N 3.02Å; A9-L12 PolarHBondContact O-N 2.85Å; L12-C15 CarbonylContact O-C 3.39Å; L12-C15 PolarHBondContact O-N 3Å; L12-K16 PolarHBondContact O-N 3.38Å; L12-V17 HydrophobicContact CB-CB 4.44Å; L12-V17 WeakPolarHBondContact O-CB 3.44Å; L12-V17 PolarHBondContact O-N 3.2Å; L12-L18 HydrophobicContact CB-CD1 3.9Å; L12-L18 HydrophobicContact CB-CG 4.26Å; L12-L18 HydrophobicContact CD1-CD1 4.01Å; L12-L34 HydrophobicContact CD1-CD1 4Å; L12-L38 HydrophobicContact CD1-CD1 4.3Å; L12-L38 HydrophobicContact CD1-CD2 4.02Å; L12-L47 HydrophobicContact CD2-CD1 4.18Å; L12-L47 HydrophobicContact CD2-CD2 3.9Å |
| 13 | I | 91.8 | Very high | 88.6 | Confident | 24 Ų | 24 | 41 Ų | 41 | 12% | 0.123 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.3 | -45.2 | 173.6 | -67.1 | 163.7 | 0 | 0 | 0 | 110.7 | A9 L10 W11 C15 K16 L18 P20 T25 | A9-I13 WeakPolarHBondContact O-CG1 3.36Å; A9-I13 PolarHBondContact O-N 3.09Å; A9-I13 VanDerWaalsContact O-N 3.1Å; L10-I13 PolarHBondContact O-N 3.08Å; W11-I13 VanDerWaalsContact C-N 3.32Å; W11-I13 PolarHBondContact O-N 2.96Å; I13-C15 PolarHBondContact O-N 3.07Å; I13-K16 WeakPolarHBondContact O-CA 3.43Å; I13-K16 PolarHBondContact O-N 3.25Å; I13-L18 WeakPolarHBondContact CA-O 3.33Å; I13-L18 HydrophobicContact CG1-CB 3.79Å; I13-P20 HydrophobicContact CG2-CB 4.33Å; I13-P20 HydrophobicContact CG2-CG 4.18Å; I13-T25 HydrophobicContact CD1-CG2 3.22Å |
| 14 | N | 92.4 | Very high | 88.8 | Confident | 86 Ų | 86 | 37.1 Ų | 37.1 | 46% | 0.46 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.9 | -28.4 | 177.2 | -67.1 | -28.4 | 0 | 0 | 0 | 112.5 | L10 W11 K16 I127 | L10-N14 VanDerWaalsContact O-CG 3.31Å; L10-N14 PolarHBondContact O-N 2.84Å; L10-N14 PolarHBondContact O-ND2 2.98Å; W11-N14 PolarHBondContact O-N 3.43Å; N14-K16 PolarHBondContact O-N 2.87Å; N14-I127 HydrophobicContact CB-CG2 3.93Å |
| 15 | C | 92 | Very high | 88.7 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 5.1 | 170.6 | -62 | 0 | 0 | 0 | 0 | 113.7 | W11 L12 I13 V17 L47 N50 I127 | W11-C15 VanDerWaalsContact CE2-SG 3.5Å; W11-C15 PolarHBondContact O-N 3.12Å; W11-C15 PolarHBondContact O-SG 3.35Å; L12-C15 CarbonylContact O-C 3.39Å; L12-C15 PolarHBondContact O-N 3Å; I13-C15 PolarHBondContact O-N 3.07Å; C15-V17 HydrophobicContact CB-CG2 3.91Å; C15-V17 PolarHBondContact O-N 3.27Å; C15-L47 HydrophobicContact CB-CD1 3.62Å; C15-N50 WeakPolarHBondContact O-CB 2.75Å; C15-N50 PolarHBondContact O-ND2 3.17Å; C15-I127 HydrophobicContact CB-CD1 4.34Å |
| 16 | K | 89.2 | Confident | 88.6 | Confident | 165 Ų | 165 | 45.1 Ų | 45.1 | 72% | 0.717 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 30.3 | -176.5 | -53.4 | -177.5 | 177.5 | -175.2 | 0 | 113.8 | L12 I13 N14 N50 | L12-K16 PolarHBondContact O-N 3.38Å; I13-K16 WeakPolarHBondContact O-CA 3.43Å; I13-K16 PolarHBondContact O-N 3.25Å; N14-K16 PolarHBondContact O-N 2.87Å; K16-N50 PolarHBondContact O-ND2 3.23Å |
| 17 | V | 88.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -92.3 | -33.1 | 178.3 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | L12 C15 L43 L47 | L12-V17 HydrophobicContact CB-CB 4.44Å; L12-V17 WeakPolarHBondContact O-CB 3.44Å; L12-V17 PolarHBondContact O-N 3.2Å; C15-V17 HydrophobicContact CB-CG2 3.91Å; C15-V17 PolarHBondContact O-N 3.27Å; V17-L43 HydrophobicContact CG1-CB 3.77Å; V17-L43 HydrophobicContact CG1-CD2 4.15Å; V17-L43 HydrophobicContact CG1-CG 4.4Å; V17-L43 WeakPolarHBondContact CG1-O 3.41Å; V17-L47 HydrophobicContact CG2-CB 3.75Å; V17-L47 HydrophobicContact CG2-CD1 3.73Å; V17-L47 HydrophobicContact CG2-CG 4.35Å |
| 18 | L | 86.6 | Confident | 88.1 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -121.2 | 142.4 | 177.6 | -69.3 | 174.4 | 0 | 0 | 0 | 110 | L12 I13 V24 T37 L43 L160 | L12-L18 HydrophobicContact CB-CD1 3.9Å; L12-L18 HydrophobicContact CB-CG 4.26Å; L12-L18 HydrophobicContact CD1-CD1 4.01Å; I13-L18 WeakPolarHBondContact CA-O 3.33Å; I13-L18 HydrophobicContact CG1-CB 3.79Å; L18-V24 HydrophobicContact CD1-CG2 3.99Å; L18-T37 HydrophobicContact CD1-CG2 4.39Å; L18-T37 HydrophobicContact CD2-CG2 3.71Å; L18-L43 HydrophobicContact CD2-CD1 3.62Å; L18-L160 HydrophobicContact CD2-CD1 3.95Å |
| 19 | P | 82.2 | Confident | 87.8 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | trans | -69.9 | 148.8 | 175.3 | 28.2 | -32 | 0 | 0 | 0 | 110.7 | N21 H22 | P19-N21 PolarHBondContact O-N 3.24Å; P19-N21 VanDerWaalsContact O-N 3.12Å; P19-H22 HydrophobicContact CG-CB 4Å; P19-H22 WeakPolarHBondContact O-CB 3.34Å; P19-H22 PolarHBondContact O-N 2.89Å | ||
| 20 | P | 81.4 | Confident | 87.6 | Confident | 101 Ų | 101 | 60.8 Ų | 60.8 | 66% | 0.656 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27.1 | -175.9 | -26.2 | 34.7 | 0 | 0 | 0 | 115 | I13 T25 | I13-P20 HydrophobicContact CG2-CB 4.33Å; I13-P20 HydrophobicContact CG2-CG 4.18Å; P20-T25 PolarHBondContact O-OG1 3.41Å |
| 21 | N | 80.9 | Confident | 87.4 | Confident | 125 Ų | 125 | 57.4 Ų | 57.4 | 67% | 0.668 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 11.1 | 179.6 | 63.7 | -27.2 | 0 | 0 | 0 | 113.8 | P19 | P19-N21 PolarHBondContact O-N 3.24Å; P19-N21 VanDerWaalsContact O-N 3.12Å |
| 22 | H | 84.1 | Confident | 87.1 | Confident | 14 Ų | 14 | 57.7 Ų | 57.7 | 7% | 0.065 | 30% | 0.295 | C | S | . | . | trans | -60.2 | 146.2 | -179.9 | -166.2 | -101.3 | 0 | 0 | 0 | 112.5 | P19 V24 T25 T37 E157 L160 | P19-H22 HydrophobicContact CG-CB 4Å; P19-H22 WeakPolarHBondContact O-CB 3.34Å; P19-H22 PolarHBondContact O-N 2.89Å; H22-V24 HydrophobicContact CB-CG2 4.22Å; H22-V24 WeakPolarHBondContact ND1-CG1 3.39Å; H22-V24 VanDerWaalsContact ND1-CG2 3.31Å; H22-V24 WeakPolarHBondContact ND1-CG2 3.28Å; H22-V24 PolarHBondContact ND1-N 2.89Å; H22-V24 PolarHBondContact O-N 3.44Å; H22-T25 PolarHBondContact O-N 3.24Å; H22-T25 PolarHBondContact O-OG1 3.03Å; H22-T37 PolarHBondContact CE1-OG1 2.95Å; H22-E157 IonicContact NE2-OE2 3.88Å; H22-L160 WeakPolarHBondContact NE2-CD1 3.3Å | ||
| 23 | R | 83.6 | Confident | 86.7 | Confident | 31 Ų | 31 | 59 Ų | 59 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -53.3 | -30 | -176.3 | 63.4 | 172.2 | 173.6 | 164.8 | 30.3 | 114.9 | T25 W26 A29 Q36 E157 | R23-T25 PolarHBondContact O-N 3.34Å; R23-T25 VanDerWaalsContact O-N 3.09Å; R23-W26 HydrophobicContact CB-CD2 4.15Å; R23-W26 HydrophobicContact CB-CE3 4.23Å; R23-W26 HydrophobicContact CB-CH2 4.4Å; R23-W26 HydrophobicContact CB-CZ2 4.32Å; R23-W26 HydrophobicContact CB-CZ3 4.34Å; R23-W26 VanDerWaalsContact O-CB 3.3Å; R23-W26 WeakPolarHBondContact O-CB 3.28Å; R23-W26 PolarHBondContact O-N 3.25Å; R23-A29 WeakPolarHBondContact O-CB 3.47Å; R23-Q36 VanDerWaalsContact NH2-CD 3.31Å; R23-E157 WeakPolarHBondContact CD-OE1 3.33Å; R23-E157 IonicContact CZ-OE1 2.63Å; R23-E157 IonicContact CZ-OE2 2.94Å; R23-E157 IonicContact NE-OE1 3.44Å; R23-E157 PolarHBondContact NE-OE1 3Å; R23-E157 IonicContact NE-OE2 3.41Å; R23-E157 PolarHBondContact NE-OE2 3.44Å; R23-E157 VanDerWaalsContact NH1-CD 3.33Å; R23-E157 IonicContact NH1-OE1 2.79Å; R23-E157 PolarHBondContact NH1-OE1 3.09Å; R23-E157 IonicContact NH1-OE2 2.76Å; R23-E157 IonicContact NH2-OE2 2.81Å |
| 24 | V | 86.6 | Confident | 86.7 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -63.5 | -14.5 | 177.6 | -58.7 | 0 | 0 | 0 | 0 | 113.2 | A9 L18 H22 D33 L34 | A9-V24 HydrophobicContact CB-CG2 4.09Å; L18-V24 HydrophobicContact CD1-CG2 3.99Å; H22-V24 HydrophobicContact CB-CG2 4.22Å; H22-V24 WeakPolarHBondContact ND1-CG1 3.39Å; H22-V24 VanDerWaalsContact ND1-CG2 3.31Å; H22-V24 WeakPolarHBondContact ND1-CG2 3.28Å; H22-V24 PolarHBondContact ND1-N 2.89Å; H22-V24 PolarHBondContact O-N 3.44Å; V24-D33 HydrophobicContact CG1-CB 4.08Å; V24-L34 HydrophobicContact CG1-CB 4.48Å |
| 25 | T | 84.8 | Confident | 86.6 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 36% | 0.356 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -91.8 | -8.2 | 174.7 | 68.4 | 0 | 0 | 0 | 0 | 113.4 | I13 P20 H22 R23 | I13-T25 HydrophobicContact CD1-CG2 3.22Å; P20-T25 PolarHBondContact O-OG1 3.41Å; H22-T25 PolarHBondContact O-N 3.24Å; H22-T25 PolarHBondContact O-OG1 3.03Å; R23-T25 PolarHBondContact O-N 3.34Å; R23-T25 VanDerWaalsContact O-N 3.09Å |
| 26 | W | 87.1 | Confident | 86.3 | Confident | 142 Ų | 142 | 54.4 Ų | 54.4 | 54% | 0.538 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -67.4 | 152.1 | -180 | -62.8 | -1.4 | 0 | 0 | 0 | 111.2 | R6 R23 S28 A29 | R6-W26 PolarHBondContact NH1-O 2.65Å; R23-W26 HydrophobicContact CB-CD2 4.15Å; R23-W26 HydrophobicContact CB-CE3 4.23Å; R23-W26 HydrophobicContact CB-CH2 4.4Å; R23-W26 HydrophobicContact CB-CZ2 4.32Å; R23-W26 HydrophobicContact CB-CZ3 4.34Å; R23-W26 VanDerWaalsContact O-CB 3.3Å; R23-W26 WeakPolarHBondContact O-CB 3.28Å; R23-W26 PolarHBondContact O-N 3.25Å; W26-S28 PolarHBondContact O-N 3.34Å; W26-A29 HydrophobicContact CB-CB 4.44Å; W26-A29 WeakPolarHBondContact O-CB 3.4Å; W26-A29 PolarHBondContact O-N 3.13Å; W26-A29 VanDerWaalsContact O-N 3.12Å |
| 27 | E | 84.3 | Confident | 86.3 | Confident | 189 Ų | 189 | 46.6 Ų | 46.6 | 88% | 0.883 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -35.8 | 177.8 | -66.3 | -173.2 | 169.7 | 0 | 0 | 111.4 | R6 A29 | R6-E27 PolarHBondContact NH2-O 2.98Å; E27-A29 VanDerWaalsContact C-N 3.26Å; E27-A29 PolarHBondContact O-N 3.45Å |
| 28 | S | 86.9 | Confident | 86.5 | Confident | 96 Ų | 96 | 46.6 Ų | 46.6 | 67% | 0.671 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -5.5 | 177.1 | 60.3 | 0 | 0 | 0 | 0 | 114.8 | W26 | W26-S28 PolarHBondContact O-N 3.34Š|
| 29 | A | 87 | Confident | 86.7 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 7% | 0.066 | 25% | 0.247 | C | C | . | . | trans | -66.2 | 145.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112 | W5 R6 R23 W26 E27 D33 | W5-A29 HydrophobicContact CH2-CB 3.83Å; W5-A29 WeakPolarHBondContact CZ2-O 3.36Å; R6-A29 PolarHBondContact NH2-O 3Å; R23-A29 WeakPolarHBondContact O-CB 3.47Å; W26-A29 HydrophobicContact CB-CB 4.44Å; W26-A29 WeakPolarHBondContact O-CB 3.4Å; W26-A29 PolarHBondContact O-N 3.13Å; W26-A29 VanDerWaalsContact O-N 3.12Å; E27-A29 VanDerWaalsContact C-N 3.26Å; E27-A29 PolarHBondContact O-N 3.45Å; A29-D33 WeakPolarHBondContact CA-OD2 3.46Å | ||
| 30 | Q | 88.8 | Confident | 87 | Confident | 117 Ų | 117 | 46.6 Ų | 46.6 | 55% | 0.547 | 24% | 0.24 | S | C | . | . | trans | -115.2 | 161.6 | 177 | -61.9 | -173.1 | -33 | 0 | 0 | 110.3 | F32 D33 | Q30-F32 HydrophobicContact CB-CB 4.34Å; Q30-F32 PolarHBondContact O-N 3.17Å; Q30-F32 VanDerWaalsContact O-N 3.11Å; Q30-D33 PolarHBondContact N-OD2 2.93Å; Q30-D33 WeakPolarHBondContact O-CB 3.44Å; Q30-D33 PolarHBondContact O-N 3.26Å | ||
| 31 | V | 88.3 | Confident | 87.5 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 7% | 0.073 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.1 | -26.9 | 173.6 | 62.7 | 0 | 0 | 0 | 0 | 112.6 | W5 D33 L34 A35 F106 I141 Y142 L145 | W5-V31 HydrophobicContact CB-CB 4.38Å; W5-V31 HydrophobicContact CB-CG2 3.88Å; W5-V31 HydrophobicContact CD2-CB 4.03Å; W5-V31 HydrophobicContact CD2-CG2 4.41Å; W5-V31 HydrophobicContact CG-CB 3.86Å; W5-V31 HydrophobicContact CG-CG2 3.91Å; V31-D33 VanDerWaalsContact C-N 3.31Å; V31-D33 PolarHBondContact O-N 3.4Å; V31-L34 PolarHBondContact O-N 2.98Å; V31-A35 PolarHBondContact O-N 3.48Å; V31-F106 HydrophobicContact CG2-CD1 3.85Å; V31-F106 HydrophobicContact CG2-CE1 3.82Å; V31-I141 HydrophobicContact CB-CD1 4.5Å; V31-I141 HydrophobicContact CG1-CB 4.24Å; V31-I141 HydrophobicContact CG1-CD1 4.4Å; V31-I141 HydrophobicContact CG1-CG1 4.11Å; V31-Y142 HydrophobicContact CG2-CD1 4.08Å; V31-Y142 HydrophobicContact CG2-CE1 3.78Å; V31-L145 HydrophobicContact CG1-CD1 4.19Å; V31-L145 HydrophobicContact CG1-CD2 4.07Å; V31-L145 HydrophobicContact CG1-CG 4.47Å; V31-L145 HydrophobicContact CG2-CD1 4.34Å |
| 32 | F | 87.5 | Confident | 87.9 | Confident | 10 Ų | 10 | 35.9 Ų | 35.9 | 4% | 0.044 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.2 | -42.5 | 170.2 | 177.5 | -102.7 | 0 | 0 | 0 | 113 | Q30 L34 A35 Q36 L145 L148 I149 N152 | Q30-F32 HydrophobicContact CB-CB 4.34Å; Q30-F32 PolarHBondContact O-N 3.17Å; Q30-F32 VanDerWaalsContact O-N 3.11Å; F32-L34 VanDerWaalsContact C-N 3.3Å; F32-L34 PolarHBondContact O-N 3.25Å; F32-A35 PolarHBondContact O-N 2.98Å; F32-Q36 WeakPolarHBondContact O-CB 3.44Å; F32-Q36 PolarHBondContact O-N 3.46Å; F32-L145 HydrophobicContact CB-CD2 3.69Å; F32-L145 HydrophobicContact CD2-CD2 4.01Å; F32-L145 HydrophobicContact CG-CD2 4.37Å; F32-L148 HydrophobicContact CB-CD1 4.4Å; F32-L148 HydrophobicContact CD2-CB 3.55Å; F32-L148 HydrophobicContact CD2-CD1 4.38Å; F32-L148 VanDerWaalsContact CE2-C 3.45Å; F32-L148 HydrophobicContact CE2-CB 3.7Å; F32-L148 HydrophobicContact CG-CB 4.28Å; F32-L148 HydrophobicContact CG-CD1 4.48Å; F32-I149 HydrophobicContact CE2-CB 4.05Å; F32-I149 HydrophobicContact CE2-CD1 3.81Å; F32-I149 HydrophobicContact CE2-CG1 4.36Å; F32-I149 HydrophobicContact CZ-CD1 4.39Å; F32-N152 HydrophobicContact CE1-CB 3.98Å; F32-N152 HydrophobicContact CZ-CB 3.67Å |
| 33 | D | 87.8 | Confident | 88.2 | Confident | 29 Ų | 29 | 35.2 Ų | 35.2 | 16% | 0.155 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -38.9 | -178.9 | -59.6 | -51 | 0 | 0 | 0 | 111 | V24 A29 Q30 V31 T37 | V24-D33 HydrophobicContact CG1-CB 4.08Å; A29-D33 WeakPolarHBondContact CA-OD2 3.46Å; Q30-D33 PolarHBondContact N-OD2 2.93Å; Q30-D33 WeakPolarHBondContact O-CB 3.44Å; Q30-D33 PolarHBondContact O-N 3.26Å; V31-D33 VanDerWaalsContact C-N 3.31Å; V31-D33 PolarHBondContact O-N 3.4Å; D33-T37 VanDerWaalsContact O-CB 3.24Å; D33-T37 WeakPolarHBondContact O-CB 3.49Å; D33-T37 PolarHBondContact O-N 3.07Å; D33-T37 PolarHBondContact O-OG1 2.76Å |
| 34 | L | 90.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.5 | -42.5 | 174.9 | -177.6 | 63.6 | 0 | 0 | 0 | 111.5 | W5 C8 A9 L12 V24 V31 F32 T37 L38 F106 M110 | W5-L34 HydrophobicContact CB-CD2 4.17Å; W5-L34 HydrophobicContact CE3-CB 4.05Å; W5-L34 HydrophobicContact CE3-CD2 4.1Å; W5-L34 HydrophobicContact CZ3-CB 4.4Å; C8-L34 HydrophobicContact CB-CD2 4.45Å; A9-L34 HydrophobicContact CB-CD1 4.44Å; L12-L34 HydrophobicContact CD1-CD1 4Å; V24-L34 HydrophobicContact CG1-CB 4.48Å; V31-L34 PolarHBondContact O-N 2.98Å; F32-L34 VanDerWaalsContact C-N 3.3Å; F32-L34 PolarHBondContact O-N 3.25Å; L34-T37 WeakPolarHBondContact O-CB 3.3Å; L34-T37 PolarHBondContact O-N 3.31Å; L34-L38 HydrophobicContact CD1-CD1 4.01Å; L34-L38 HydrophobicContact CD1-CG 4.22Å; L34-L38 HydrophobicContact CG-CD1 4.16Å; L34-L38 WeakPolarHBondContact O-CG 3.45Å; L34-L38 PolarHBondContact O-N 2.87Å; L34-L38 VanDerWaalsContact O-N 3.07Å; L34-F106 HydrophobicContact CD2-CE1 4.42Å; L34-F106 HydrophobicContact CD2-CZ 4.45Å; L34-F106 HydrophobicContact CG-CZ 4.22Å; L34-M110 HydrophobicContact CD2-SD 4.03Å |
| 35 | A | 90.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.2 | -45.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V31 F32 T37 L38 R39 V103 F106 | V31-A35 PolarHBondContact O-N 3.48Å; F32-A35 PolarHBondContact O-N 2.98Å; A35-T37 VanDerWaalsContact C-N 3.33Å; A35-T37 PolarHBondContact O-N 3.45Å; A35-L38 PolarHBondContact O-N 3.34Å; A35-R39 WeakPolarHBondContact O-CB 3.42Å; A35-R39 PolarHBondContact O-N 3.25Å; A35-R39 VanDerWaalsContact O-N 3.09Å; A35-V103 HydrophobicContact CB-CG1 4.01Å; A35-V103 HydrophobicContact CB-CG2 4.46Å; A35-F106 VanDerWaalsContact CA-CE2 3.48Å; A35-F106 VanDerWaalsContact CA-CZ 3.49Å; A35-F106 HydrophobicContact CB-CD1 4.38Å; A35-F106 HydrophobicContact CB-CD2 3.84Å; A35-F106 HydrophobicContact CB-CE1 4.13Å; A35-F106 HydrophobicContact CB-CE2 3.56Å; A35-F106 HydrophobicContact CB-CG 4.25Å; A35-F106 HydrophobicContact CB-CZ 3.72Å |
| 36 | Q | 86.5 | Confident | 89.3 | Confident | 17 Ų | 17 | 31.9 Ų | 31.9 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 175.7 | -172.6 | 178 | 16.2 | 0 | 0 | 111.7 | R23 F32 L38 R39 I149 | R23-Q36 VanDerWaalsContact NH2-CD 3.31Å; F32-Q36 WeakPolarHBondContact O-CB 3.44Å; F32-Q36 PolarHBondContact O-N 3.46Å; Q36-L38 PolarHBondContact O-N 3.07Å; Q36-R39 WeakPolarHBondContact O-CB 3.34Å; Q36-R39 PolarHBondContact O-N 3.44Å; Q36-I149 HydrophobicContact CB-CD1 4.45Å |
| 37 | T | 88.4 | Confident | 89.6 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.6 | -40.4 | 178.6 | -66.2 | 0 | 0 | 0 | 0 | 112.7 | L18 H22 D33 L34 A35 L43 L160 | L18-T37 HydrophobicContact CD1-CG2 4.39Å; L18-T37 HydrophobicContact CD2-CG2 3.71Å; H22-T37 PolarHBondContact CE1-OG1 2.95Å; D33-T37 VanDerWaalsContact O-CB 3.24Å; D33-T37 WeakPolarHBondContact O-CB 3.49Å; D33-T37 PolarHBondContact O-N 3.07Å; D33-T37 PolarHBondContact O-OG1 2.76Å; L34-T37 WeakPolarHBondContact O-CB 3.3Å; L34-T37 PolarHBondContact O-N 3.31Å; A35-T37 VanDerWaalsContact C-N 3.33Å; A35-T37 PolarHBondContact O-N 3.45Å; T37-L43 HydrophobicContact CG2-CD1 3.65Å; T37-L160 HydrophobicContact CG2-CD1 3.63Å; T37-L160 HydrophobicContact CG2-CD2 4.41Å |
| 38 | L | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -90 | -10.3 | -177 | -62.1 | 177.7 | 0 | 0 | 0 | 113.7 | L12 L34 A35 Q36 D40 G41 L43 L44 L100 L113 | L12-L38 HydrophobicContact CD1-CD1 4.3Å; L12-L38 HydrophobicContact CD1-CD2 4.02Å; L34-L38 HydrophobicContact CD1-CD1 4.01Å; L34-L38 HydrophobicContact CD1-CG 4.22Å; L34-L38 HydrophobicContact CG-CD1 4.16Å; L34-L38 WeakPolarHBondContact O-CG 3.45Å; L34-L38 PolarHBondContact O-N 2.87Å; L34-L38 VanDerWaalsContact O-N 3.07Å; A35-L38 PolarHBondContact O-N 3.34Å; Q36-L38 PolarHBondContact O-N 3.07Å; L38-D40 PolarHBondContact O-N 2.93Å; L38-G41 PolarHBondContact O-N 3.46Å; L38-G41 VanDerWaalsContact O-N 3.09Å; L38-L43 HydrophobicContact CD2-CB 4.27Å; L38-L44 HydrophobicContact CD1-CD2 4.44Å; L38-L44 HydrophobicContact CD2-CD2 3.99Å; L38-L44 HydrophobicContact CD2-CG 4.39Å; L38-L100 HydrophobicContact CB-CD1 4.16Å; L38-L113 HydrophobicContact CD1-CD1 3.96Å |
| 39 | R | 91.3 | Very high | 90.2 | Very high | 26 Ų | 26 | 12.5 Ų | 12.5 | 10% | 0.098 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.8 | -163.8 | -167.3 | -175.4 | -179.2 | -177.7 | 4.9 | 114.9 | A35 Q36 I76 F101 I149 | A35-R39 WeakPolarHBondContact O-CB 3.42Å; A35-R39 PolarHBondContact O-N 3.25Å; A35-R39 VanDerWaalsContact O-N 3.09Å; Q36-R39 WeakPolarHBondContact O-CB 3.34Å; Q36-R39 PolarHBondContact O-N 3.44Å; R39-I76 WeakPolarHBondContact O-CD1 3.48Å; R39-F101 HydrophobicContact CG-CD2 4.47Å; R39-F101 PolarHBondContact NE-O 3.18Å; R39-F101 PolarHBondContact NH2-O 2.81Å; R39-I149 VanDerWaalsContact NH1-CG1 3.3Å |
| 40 | D | 87.9 | Confident | 90.3 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -3.7 | -174 | 79.7 | -14.1 | 0 | 0 | 0 | 114.4 | L38 V42 P65 M67 N75 Y161 | L38-D40 PolarHBondContact O-N 2.93Å; D40-V42 PolarHBondContact O-N 3.47Å; D40-V42 WeakPolarHBondContact OD1-CB 3.33Å; D40-V42 PolarHBondContact OD1-N 3.33Å; D40-V42 VanDerWaalsContact OD2-CG2 3.26Å; D40-V42 WeakPolarHBondContact OD2-CG2 3.44Å; D40-P65 HydrophobicContact CB-CG 3.71Å; D40-P65 WeakPolarHBondContact OD2-CG 3.49Å; D40-M67 HydrophobicContact CB-CE 3.75Å; D40-N75 VanDerWaalsContact O-CB 3.25Å; D40-N75 WeakPolarHBondContact O-CB 3.23Å; D40-N75 PolarHBondContact O-ND2 3.47Å; D40-N75 VanDerWaalsContact O-ND2 3.13Å; D40-Y161 WeakPolarHBondContact OD2-CE1 3.3Å; D40-Y161 VanDerWaalsContact OD2-CZ 3.29Å; D40-Y161 PolarHBondContact OD2-OH 3.01Å |
| 41 | G | 91.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.05 | C | C | . | . | S | Bend | trans | 72.2 | -1.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | L38 L44 C45 | L38-G41 PolarHBondContact O-N 3.46Å; L38-G41 VanDerWaalsContact O-N 3.09Å; G41-L44 PolarHBondContact O-N 3.22Å; G41-C45 PolarHBondContact O-N 3.15Å; G41-C45 PolarHBondContact O-SG 3.14Å |
| 42 | V | 89.4 | Confident | 90.6 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.006 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -67.2 | -50.8 | -177.6 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | D40 L44 C45 H46 N62 L63 P65 N75 Y161 V164 | D40-V42 PolarHBondContact O-N 3.47Å; D40-V42 WeakPolarHBondContact OD1-CB 3.33Å; D40-V42 PolarHBondContact OD1-N 3.33Å; D40-V42 VanDerWaalsContact OD2-CG2 3.26Å; D40-V42 WeakPolarHBondContact OD2-CG2 3.44Å; V42-L44 VanDerWaalsContact C-N 3.25Å; V42-L44 PolarHBondContact O-N 2.91Å; V42-C45 PolarHBondContact O-N 2.84Å; V42-C45 VanDerWaalsContact O-N 3.13Å; V42-H46 PolarHBondContact O-N 2.96Å; V42-N62 VanDerWaalsContact CG2-O 3.28Å; V42-N62 WeakPolarHBondContact CG2-O 3.34Å; V42-L63 HydrophobicContact CG1-CD2 4.26Å; V42-P65 HydrophobicContact CG2-CG 4.18Å; V42-N75 WeakPolarHBondContact CG2-ND2 3.24Å; V42-Y161 HydrophobicContact CB-CD1 4.31Å; V42-Y161 HydrophobicContact CB-CE1 3.84Å; V42-Y161 HydrophobicContact CG1-CD1 3.85Å; V42-Y161 HydrophobicContact CG1-CE1 3.9Å; V42-Y161 HydrophobicContact CG2-CE1 4.33Å; V42-V164 HydrophobicContact CG1-CG1 4.22Å; V42-V164 HydrophobicContact CG1-CG2 4.49Å |
| 43 | L | 91.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64 | -31.9 | 178.5 | -65.9 | -175.6 | 0 | 0 | 0 | 112.6 | V17 L18 T37 L38 H46 L47 L160 Y161 V164 | V17-L43 HydrophobicContact CG1-CB 3.77Å; V17-L43 HydrophobicContact CG1-CD2 4.15Å; V17-L43 HydrophobicContact CG1-CG 4.4Å; V17-L43 WeakPolarHBondContact CG1-O 3.41Å; L18-L43 HydrophobicContact CD2-CD1 3.62Å; T37-L43 HydrophobicContact CG2-CD1 3.65Å; L38-L43 HydrophobicContact CD2-CB 4.27Å; L43-H46 PolarHBondContact O-N 3.16Å; L43-L47 WeakPolarHBondContact O-CB 3.49Å; L43-L47 PolarHBondContact O-N 3.4Å; L43-L160 HydrophobicContact CD1-CD1 3.84Å; L43-L160 HydrophobicContact CD1-CD2 4.31Å; L43-L160 HydrophobicContact CD1-CG 4.02Å; L43-Y161 HydrophobicContact CD2-CD1 4.29Å; L43-V164 HydrophobicContact CD2-CG2 3.77Å |
| 44 | L | 95.4 | Very high | 90 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.5 | -40.5 | 174.2 | -67.5 | -176.7 | 0 | 0 | 0 | 111.9 | L38 G41 V42 L47 L48 F79 F95 L100 L113 | L38-L44 HydrophobicContact CD1-CD2 4.44Å; L38-L44 HydrophobicContact CD2-CD2 3.99Å; L38-L44 HydrophobicContact CD2-CG 4.39Å; G41-L44 PolarHBondContact O-N 3.22Å; V42-L44 VanDerWaalsContact C-N 3.25Å; V42-L44 PolarHBondContact O-N 2.91Å; L44-L47 WeakPolarHBondContact O-CB 3.43Å; L44-L48 PolarHBondContact O-N 2.62Å; L44-F79 HydrophobicContact CB-CB 4.18Å; L44-F79 HydrophobicContact CB-CD1 4.32Å; L44-F79 HydrophobicContact CB-CD2 3.63Å; L44-F79 HydrophobicContact CB-CE2 4.03Å; L44-F79 HydrophobicContact CB-CG 3.77Å; L44-F79 HydrophobicContact CD1-CD1 4.11Å; L44-F79 HydrophobicContact CD1-CE1 4.29Å; L44-F79 HydrophobicContact CD1-CG 4.38Å; L44-F79 HydrophobicContact CD2-CE2 4.43Å; L44-F79 HydrophobicContact CD2-CZ 4.44Å; L44-F79 VanDerWaalsContact O-CD2 3.24Å; L44-F79 WeakPolarHBondContact O-CD2 3.42Å; L44-F95 HydrophobicContact CD1-CZ 4.14Å; L44-L100 HydrophobicContact CD1-CD2 3.38Å; L44-L113 HydrophobicContact CD2-CD1 4.41Å; L44-L113 HydrophobicContact CD2-CD2 3.81Å |
| 45 | C | 92.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.7 | -39.9 | 174.8 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | G41 V42 L48 N49 I56 I61 N75 | G41-C45 PolarHBondContact O-N 3.15Å; G41-C45 PolarHBondContact O-SG 3.14Å; V42-C45 PolarHBondContact O-N 2.84Å; V42-C45 VanDerWaalsContact O-N 3.13Å; C45-L48 PolarHBondContact O-N 2.64Å; C45-N49 PolarHBondContact O-N 3.11Å; C45-I56 HydrophobicContact CB-CD1 3.8Å; C45-I56 HydrophobicContact CB-CG2 4.41Å; C45-I61 HydrophobicContact CB-CD1 3.49Å; C45-I61 VanDerWaalsContact CB-CD1 3.49Å; C45-I61 HydrophobicContact CB-CG2 4.41Å; C45-N75 PolarHBondContact SG-O 2.85Å; C45-N75 VanDerWaalsContact SG-O 3.34Å |
| 46 | H | 88.9 | Confident | 89.6 | Confident | 19 Ų | 19 | 26.6 Ų | 26.6 | 9% | 0.088 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.2 | -40.3 | 176.1 | -174.1 | 71.2 | 0 | 0 | 0 | 112.1 | V42 L43 L48 N49 N50 V164 | V42-H46 PolarHBondContact O-N 2.96Å; L43-H46 PolarHBondContact O-N 3.16Å; H46-L48 VanDerWaalsContact C-N 3.3Å; H46-L48 PolarHBondContact O-N 3.15Å; H46-N49 PolarHBondContact O-N 3.47Å; H46-N50 PolarHBondContact CD2-ND2 3.2Å; H46-N50 PolarHBondContact NE2-ND2 3.45Å; H46-N50 VanDerWaalsContact NE2-ND2 3.13Å; H46-N50 PolarHBondContact NE2-OD1 2.88Å; H46-N50 PolarHBondContact O-N 3.29Å; H46-V164 HydrophobicContact CB-CG2 4.22Å |
| 47 | L | 94.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -50.7 | -47.9 | 172.3 | 171.9 | 64.8 | 0 | 0 | 0 | 112.1 | W11 L12 C15 V17 L43 L44 N49 N50 L51 L113 L116 | W11-L47 HydrophobicContact CH2-CD1 3.83Å; W11-L47 HydrophobicContact CH2-CD2 3.84Å; W11-L47 HydrophobicContact CH2-CG 4.3Å; W11-L47 HydrophobicContact CZ2-CD1 4.44Å; W11-L47 HydrophobicContact CZ3-CD1 4Å; W11-L47 HydrophobicContact CZ3-CD2 3.69Å; W11-L47 HydrophobicContact CZ3-CG 4.46Å; L12-L47 HydrophobicContact CD2-CD1 4.18Å; L12-L47 HydrophobicContact CD2-CD2 3.9Å; C15-L47 HydrophobicContact CB-CD1 3.62Å; V17-L47 HydrophobicContact CG2-CB 3.75Å; V17-L47 HydrophobicContact CG2-CD1 3.73Å; V17-L47 HydrophobicContact CG2-CG 4.35Å; L43-L47 WeakPolarHBondContact O-CB 3.49Å; L43-L47 PolarHBondContact O-N 3.4Å; L44-L47 WeakPolarHBondContact O-CB 3.43Å; L47-N49 VanDerWaalsContact C-N 3.29Å; L47-N49 PolarHBondContact O-N 3.27Å; L47-N50 PolarHBondContact O-N 2.92Å; L47-L51 HydrophobicContact CD1-CD1 3.94Å; L47-L51 HydrophobicContact CD1-CG 4.13Å; L47-L51 HydrophobicContact CG-CD1 4.12Å; L47-L51 WeakPolarHBondContact O-CG 3.28Å; L47-L51 PolarHBondContact O-N 3.49Å; L47-L113 HydrophobicContact CD2-CD2 4.07Å; L47-L116 HydrophobicContact CD2-CD2 3.85Å; L47-L116 HydrophobicContact CG-CD2 4.48Å |
| 48 | L | 94.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.6 | -34.9 | -179.3 | -63.1 | -168.4 | 0 | 0 | 0 | 112.4 | L44 C45 H46 L51 K52 C55 I56 F79 A82 F87 L116 | L44-L48 PolarHBondContact O-N 2.62Å; C45-L48 PolarHBondContact O-N 2.64Å; H46-L48 VanDerWaalsContact C-N 3.3Å; H46-L48 PolarHBondContact O-N 3.15Å; L48-L51 PolarHBondContact O-N 3.07Å; L48-K52 PolarHBondContact O-N 3.04Å; L48-K52 VanDerWaalsContact O-O 3.1Å; L48-C55 HydrophobicContact CB-CB 4.43Å; L48-I56 HydrophobicContact CB-CD1 4.24Å; L48-I56 HydrophobicContact CD1-CD1 3.81Å; L48-I56 HydrophobicContact CG-CD1 4.42Å; L48-F79 HydrophobicContact CD1-CD2 3.6Å; L48-F79 HydrophobicContact CD1-CE2 4Å; L48-F79 HydrophobicContact CD1-CG 4.5Å; L48-F79 HydrophobicContact CD2-CD2 4.19Å; L48-F79 HydrophobicContact CD2-CE2 3.79Å; L48-F79 HydrophobicContact CG-CD2 3.71Å; L48-F79 HydrophobicContact CG-CE2 3.84Å; L48-A82 HydrophobicContact CD1-CB 3.52Å; L48-F87 HydrophobicContact CB-CE2 4.01Å; L48-F87 HydrophobicContact CB-CZ 4.37Å; L48-F87 HydrophobicContact CD1-CE2 4.27Å; L48-F87 HydrophobicContact CD2-CD2 4.13Å; L48-F87 HydrophobicContact CD2-CE2 3.67Å; L48-F87 HydrophobicContact CD2-CZ 3.93Å; L48-F87 HydrophobicContact CG-CE2 4.19Å; L48-L116 HydrophobicContact CD2-CD1 3.97Å; L48-L116 HydrophobicContact CD2-CD2 3.62Å; L48-L116 HydrophobicContact CD2-CG 4.42Å |
| 49 | N | 89.4 | Confident | 86.9 | Confident | 21 Ų | 21 | 36.5 Ų | 36.5 | 11% | 0.112 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.8 | -35 | 175.1 | -82.3 | -18.8 | 0 | 0 | 0 | 113.1 | C45 H46 L47 K52 P53 C55 I56 L58 | C45-N49 PolarHBondContact O-N 3.11Å; H46-N49 PolarHBondContact O-N 3.47Å; L47-N49 VanDerWaalsContact C-N 3.29Å; L47-N49 PolarHBondContact O-N 3.27Å; N49-K52 WeakPolarHBondContact CA-O 3.45Å; N49-K52 CarbonylContact O-C 3.39Å; N49-P53 WeakPolarHBondContact O-CA 3.42Å; N49-C55 PolarHBondContact OD1-N 3.12Å; N49-I56 PolarHBondContact ND2-O 3.21Å; N49-I56 PolarHBondContact OD1-N 2.99Å; N49-I56 PolarHBondContact OD1-O 3.48Å; N49-L58 WeakPolarHBondContact ND2-CD2 3.4Å; N49-L58 VanDerWaalsContact ND2-CG 3.34Å; N49-L58 WeakPolarHBondContact ND2-CG 3.48Å |
| 50 | N | 89.8 | Confident | 86 | Confident | 62 Ų | 62 | 40.7 Ų | 40.7 | 33% | 0.332 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -70.1 | -34 | 174.8 | -70.5 | -1.7 | 0 | 0 | 0 | 112 | C15 K16 H46 L47 | C15-N50 WeakPolarHBondContact O-CB 2.75Å; C15-N50 PolarHBondContact O-ND2 3.17Å; K16-N50 PolarHBondContact O-ND2 3.23Å; H46-N50 PolarHBondContact CD2-ND2 3.2Å; H46-N50 PolarHBondContact NE2-ND2 3.45Å; H46-N50 VanDerWaalsContact NE2-ND2 3.13Å; H46-N50 PolarHBondContact NE2-OD1 2.88Å; H46-N50 PolarHBondContact O-N 3.29Å; L47-N50 PolarHBondContact O-N 2.92Å |
| 51 | L | 92.5 | Very high | 85.6 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -77.4 | -35.2 | 175.4 | -65.8 | 176.8 | 0 | 0 | 0 | 112.6 | W11 L47 L48 F87 L116 A122 T125 I127 | W11-L51 HydrophobicContact CH2-CD1 4.11Å; W11-L51 HydrophobicContact CZ2-CD1 4.11Å; W11-L51 HydrophobicContact CZ2-CD2 4.49Å; L47-L51 HydrophobicContact CD1-CD1 3.94Å; L47-L51 HydrophobicContact CD1-CG 4.13Å; L47-L51 HydrophobicContact CG-CD1 4.12Å; L47-L51 WeakPolarHBondContact O-CG 3.28Å; L47-L51 PolarHBondContact O-N 3.49Å; L48-L51 PolarHBondContact O-N 3.07Å; L51-F87 HydrophobicContact CB-CE1 3.95Å; L51-F87 HydrophobicContact CB-CZ 3.9Å; L51-F87 HydrophobicContact CD1-CE1 4.24Å; L51-L116 HydrophobicContact CD1-CD2 4.33Å; L51-L116 HydrophobicContact CD1-CG 4.26Å; L51-A122 HydrophobicContact CD1-CB 4.27Å; L51-A122 HydrophobicContact CD2-CB 4.19Å; L51-T125 HydrophobicContact CD2-CG2 4.18Å; L51-I127 HydrophobicContact CD2-CD1 4.42Å |
| 52 | K | 89.5 | Confident | 84.6 | Confident | 71 Ų | 71 | 42.5 Ų | 42.5 | 31% | 0.309 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -143.5 | 107 | 179 | -175.7 | -175.8 | -177.2 | -175.9 | 0 | 109.3 | L48 N49 Q54 C55 S86 F87 I121 | L48-K52 PolarHBondContact O-N 3.04Å; L48-K52 VanDerWaalsContact O-O 3.1Å; N49-K52 WeakPolarHBondContact CA-O 3.45Å; N49-K52 CarbonylContact O-C 3.39Å; K52-Q54 PolarHBondContact O-N 3.03Å; K52-C55 HydrophobicContact CB-CB 4.15Å; K52-C55 HydrophobicContact CD-CB 4.29Å; K52-C55 HydrophobicContact CG-CB 4.34Å; K52-C55 WeakPolarHBondContact O-CB 3.27Å; K52-C55 PolarHBondContact O-N 2.99Å; K52-S86 PolarHBondContact NZ-O 3.41Å; K52-S86 PolarHBondContact NZ-OG 2.75Å; K52-F87 HydrophobicContact CB-CE2 4.33Å; K52-F87 HydrophobicContact CB-CZ 3.79Å; K52-I121 HydrophobicContact CB-CG2 4.04Å; K52-I121 HydrophobicContact CD-CD1 4.33Å |
| 53 | P | 84.7 | Confident | 83.9 | Confident | 109 Ų | 109 | 45 Ų | 45 | 71% | 0.708 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 138.4 | -179.7 | -28.1 | 35.2 | 0 | 0 | 0 | 112.4 | N49 C55 | N49-P53 WeakPolarHBondContact O-CA 3.42Å; P53-C55 PolarHBondContact O-N 3.35Å |
| 54 | Q | 78.3 | Confident | 82.9 | Confident | 190 Ų | 190 | 51.3 Ų | 51.3 | 89% | 0.888 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 23.7 | 179.1 | -53.4 | -178.9 | -10.9 | 0 | 0 | 114.8 | K52 | K52-Q54 PolarHBondContact O-N 3.03Š|
| 55 | C | 86.9 | Confident | 81.5 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -65.1 | -41.9 | 174.6 | -177.6 | 0 | 0 | 0 | 0 | 112.5 | L48 N49 K52 P53 S86 F87 | L48-C55 HydrophobicContact CB-CB 4.43Å; N49-C55 PolarHBondContact OD1-N 3.12Å; K52-C55 HydrophobicContact CB-CB 4.15Å; K52-C55 HydrophobicContact CD-CB 4.29Å; K52-C55 HydrophobicContact CG-CB 4.34Å; K52-C55 WeakPolarHBondContact O-CB 3.27Å; K52-C55 PolarHBondContact O-N 2.99Å; P53-C55 PolarHBondContact O-N 3.35Å; C55-S86 WeakPolarHBondContact SG-CB 3.25Å; C55-F87 HydrophobicContact CB-CE2 4.5Å |
| 56 | I | 86.2 | Confident | 80.3 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 5% | 0.046 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -120.2 | 129.9 | 175 | -68.4 | 173.9 | 0 | 0 | 0 | 108 | C45 L48 N49 L58 I61 T78 A82 | C45-I56 HydrophobicContact CB-CD1 3.8Å; C45-I56 HydrophobicContact CB-CG2 4.41Å; L48-I56 HydrophobicContact CB-CD1 4.24Å; L48-I56 HydrophobicContact CD1-CD1 3.81Å; L48-I56 HydrophobicContact CG-CD1 4.42Å; N49-I56 PolarHBondContact ND2-O 3.21Å; N49-I56 PolarHBondContact OD1-N 2.99Å; N49-I56 PolarHBondContact OD1-O 3.48Å; I56-L58 PolarHBondContact O-N 3.24Å; I56-L58 VanDerWaalsContact O-N 3.11Å; I56-I61 HydrophobicContact CG2-CG2 4.01Å; I56-T78 HydrophobicContact CD1-CG2 4.23Å; I56-T78 HydrophobicContact CG1-CG2 4.39Å; I56-T78 HydrophobicContact CG2-CG2 3.94Å; I56-A82 HydrophobicContact CD1-CB 3.75Å; I56-A82 HydrophobicContact CG1-CB 3.65Å |
| 57 | N | 76.3 | Confident | 79.3 | Confident | 67 Ų | 67 | 57 Ų | 57 | 36% | 0.358 | 28% | 0.279 | S | S | . | . | trans | -70 | 105.6 | 166.4 | -176.1 | 3 | 0 | 0 | 0 | 109 | K59 E60 | N57-K59 PolarHBondContact O-N 2.93Å; N57-K59 WeakPolarHBondContact OD1-CB 3.36Å; N57-K59 WeakPolarHBondContact OD1-CG 3.39Å; N57-K59 PolarHBondContact OD1-N 3.35Å; N57-E60 HydrophobicContact CB-CG 4.09Å; N57-E60 PolarHBondContact ND2-OE1 3.3Å; N57-E60 WeakPolarHBondContact O-CB 3.19Å; N57-E60 PolarHBondContact O-N 3.19Å | ||
| 58 | L | 70.9 | Confident | 78.6 | Confident | 53 Ų | 53 | 57.3 Ų | 57.3 | 28% | 0.277 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -14.7 | -178.7 | -65.9 | 177.7 | 0 | 0 | 0 | 113.1 | N49 I56 E60 I61 | N49-L58 WeakPolarHBondContact ND2-CD2 3.4Å; N49-L58 VanDerWaalsContact ND2-CG 3.34Å; N49-L58 WeakPolarHBondContact ND2-CG 3.48Å; I56-L58 PolarHBondContact O-N 3.24Å; I56-L58 VanDerWaalsContact O-N 3.11Å; L58-E60 VanDerWaalsContact C-N 3.32Å; L58-I61 HydrophobicContact CD2-CD1 3.62Å; L58-I61 HydrophobicContact CD2-CG1 4.39Å; L58-I61 VanDerWaalsContact O-CG1 3.23Å; L58-I61 WeakPolarHBondContact O-CG1 3.21Å |
| 59 | K | 63.9 | Low | 78.2 | Confident | 106 Ų | 106 | 57.9 Ų | 57.9 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -17.9 | 173.7 | -57.9 | 176.7 | 176.4 | 173.8 | 0 | 113.6 | N57 T294 | N57-K59 PolarHBondContact O-N 2.93Å; N57-K59 WeakPolarHBondContact OD1-CB 3.36Å; N57-K59 WeakPolarHBondContact OD1-CG 3.39Å; N57-K59 PolarHBondContact OD1-N 3.35Å; K59-T294 WeakPolarHBondContact CD-OG1 3.45Å; K59-T294 PolarHBondContact NZ-OG1 3.49Å |
| 60 | E | 70.6 | Confident | 78 | Confident | 114 Ų | 114 | 57.9 Ų | 57.9 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -90 | -13.4 | -179.8 | -70.4 | 172.6 | -156.4 | 0 | 0 | 113 | N57 L58 K74 | N57-E60 HydrophobicContact CB-CG 4.09Å; N57-E60 PolarHBondContact ND2-OE1 3.3Å; N57-E60 WeakPolarHBondContact O-CB 3.19Å; N57-E60 PolarHBondContact O-N 3.19Å; L58-E60 VanDerWaalsContact C-N 3.32Å; E60-K74 VanDerWaalsContact O-CE 3.24Å; E60-K74 WeakPolarHBondContact O-CE 3.45Å; E60-K74 PolarHBondContact O-NZ 2.95Å |
| 61 | I | 79.6 | Confident | 77.7 | Confident | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -101.4 | 157.9 | 174.5 | 69.6 | 170.6 | 0 | 0 | 0 | 110.2 | C45 I56 L58 L63 N75 T78 | C45-I61 HydrophobicContact CB-CD1 3.49Å; C45-I61 VanDerWaalsContact CB-CD1 3.49Å; C45-I61 HydrophobicContact CB-CG2 4.41Å; I56-I61 HydrophobicContact CG2-CG2 4.01Å; L58-I61 HydrophobicContact CD2-CD1 3.62Å; L58-I61 HydrophobicContact CD2-CG1 4.39Å; L58-I61 VanDerWaalsContact O-CG1 3.23Å; L58-I61 WeakPolarHBondContact O-CG1 3.21Å; I61-L63 HydrophobicContact CD1-CD2 3.91Å; I61-L63 HydrophobicContact CG1-CD2 4.04Å; I61-N75 WeakPolarHBondContact CA-OD1 3.5Å; I61-N75 WeakPolarHBondContact CB-OD1 3.48Å; I61-T78 HydrophobicContact CG2-CG2 3.77Å |
| 62 | N | 71.5 | Confident | 77.6 | Confident | 29 Ų | 29 | 54.6 Ų | 54.6 | 16% | 0.155 | 27% | 0.266 | C | S | . | . | trans | -94.9 | 109.9 | 174.9 | -68 | -84.3 | 0 | 0 | 0 | 108.7 | V42 R64 P65 L71 N75 | V42-N62 VanDerWaalsContact CG2-O 3.28Å; V42-N62 WeakPolarHBondContact CG2-O 3.34Å; N62-R64 VanDerWaalsContact C-N 3.26Å; N62-R64 PolarHBondContact O-N 2.96Å; N62-P65 HydrophobicContact CB-CB 4.37Å; N62-P65 WeakPolarHBondContact O-CD 3.46Å; N62-L71 HydrophobicContact CB-CB 4.08Å; N62-L71 HydrophobicContact CB-CD1 4.18Å; N62-L71 HydrophobicContact CB-CD2 4.49Å; N62-L71 HydrophobicContact CB-CG 4.47Å; N62-L71 WeakPolarHBondContact ND2-CD2 3.39Å; N62-N75 PolarHBondContact N-OD1 3Å; N62-N75 PolarHBondContact O-ND2 3.5Å | ||
| 63 | L | 73.8 | Confident | 77.6 | Confident | 53 Ų | 53 | 51.2 Ų | 51.2 | 28% | 0.277 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -70.2 | -23.5 | -178.9 | -60 | 176.7 | 0 | 0 | 0 | 113.1 | V42 I61 V164 Y165 | V42-L63 HydrophobicContact CG1-CD2 4.26Å; I61-L63 HydrophobicContact CD1-CD2 3.91Å; I61-L63 HydrophobicContact CG1-CD2 4.04Å; L63-V164 HydrophobicContact CD2-CG1 3.97Å; L63-Y165 HydrophobicContact CB-CE1 4.21Å; L63-Y165 HydrophobicContact CD1-CE1 4.31Å; L63-Y165 PolarHBondContact O-OH 3.14Å |
| 64 | R | 71.1 | Confident | 77.8 | Confident | 133 Ų | 133 | 48.8 Ų | 48.8 | 50% | 0.502 | 23% | 0.229 | S | C | . | . | trans | -126.4 | 74.2 | 173.7 | -61.1 | -173.2 | -177.3 | -168.1 | -1.8 | 109 | N62 Q66 Y165 | N62-R64 VanDerWaalsContact C-N 3.26Å; N62-R64 PolarHBondContact O-N 2.96Å; R64-Q66 WeakPolarHBondContact O-CG 3.28Å; R64-Q66 PolarHBondContact O-N 3.29Å; R64-Q66 VanDerWaalsContact O-N 3.16Å; R64-Y165 WeakPolarHBondContact CG-OH 3.37Å; R64-Y165 PolarHBondContact NE-OH 2.82Å | ||
| 65 | P | 65.9 | Low | 78.4 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | trans | -70.2 | -9.6 | -178.5 | 29.1 | -31.3 | 0 | 0 | 0 | 112 | D40 V42 N62 M67 S68 L71 | D40-P65 HydrophobicContact CB-CG 3.71Å; D40-P65 WeakPolarHBondContact OD2-CG 3.49Å; V42-P65 HydrophobicContact CG2-CG 4.18Å; N62-P65 HydrophobicContact CB-CB 4.37Å; N62-P65 WeakPolarHBondContact O-CD 3.46Å; P65-M67 PolarHBondContact O-N 2.86Å; P65-S68 WeakPolarHBondContact O-CA 3.29Å; P65-S68 WeakPolarHBondContact O-CB 3.31Å; P65-S68 PolarHBondContact O-N 3.05Å; P65-L71 HydrophobicContact CB-CB 3.7Å; P65-L71 HydrophobicContact CB-CD1 4.48Å | ||
| 66 | Q | 67.1 | Low | 78.8 | Confident | 107 Ų | 107 | 38.7 Ų | 38.7 | 50% | 0.5 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 27.8 | 178.5 | -51.5 | -176.3 | 6.3 | 0 | 0 | 113.2 | R64 S68 | R64-Q66 WeakPolarHBondContact O-CG 3.28Å; R64-Q66 PolarHBondContact O-N 3.29Å; R64-Q66 VanDerWaalsContact O-N 3.16Å; Q66-S68 PolarHBondContact O-N 3.31Å |
| 67 | M | 68.7 | Low | 79.2 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 15% | 0.148 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 24.7 | -173.5 | -56.6 | -68.3 | 141.6 | 0 | 0 | 114.1 | D40 P65 Q69 V154 | D40-M67 HydrophobicContact CB-CE 3.75Å; P65-M67 PolarHBondContact O-N 2.86Å; M67-Q69 PolarHBondContact O-N 2.83Å; M67-V154 HydrophobicContact CE-CG1 4.2Å; M67-V154 HydrophobicContact CG-CB 4.23Å; M67-V154 HydrophobicContact CG-CG1 3.98Å; M67-V154 HydrophobicContact CG-CG2 3.92Å; M67-V154 HydrophobicContact SD-CG1 4.26Å; M67-V154 HydrophobicContact SD-CG2 4.18Å |
| 68 | S | 79.6 | Confident | 80 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | trans | -56.8 | 112.9 | 160.5 | 177 | 0 | 0 | 0 | 0 | 108.2 | P65 Q66 F70 L71 C72 Y388 D408 | P65-S68 WeakPolarHBondContact O-CA 3.29Å; P65-S68 WeakPolarHBondContact O-CB 3.31Å; P65-S68 PolarHBondContact O-N 3.05Å; Q66-S68 PolarHBondContact O-N 3.31Å; S68-F70 PolarHBondContact O-N 3.12Å; S68-L71 PolarHBondContact O-N 3.3Å; S68-L71 VanDerWaalsContact O-N 3.12Å; S68-L71 VanDerWaalsContact OG-CG 3.3Å; S68-L71 WeakPolarHBondContact OG-CG 3.43Å; S68-C72 WeakPolarHBondContact O-CB 3.43Å; S68-C72 PolarHBondContact O-N 2.91Å; S68-C72 PolarHBondContact O-SG 2.9Å; S68-Y388 PolarHBondContact OG-OH 3.09Å; S68-D408 VanDerWaalsContact CA-OD1 3.29Å; S68-D408 WeakPolarHBondContact CA-OD1 3.27Å; S68-D408 WeakPolarHBondContact CB-OD1 3.31Å; S68-D408 PolarHBondContact OG-OD1 3.21Å | ||
| 69 | Q | 85.3 | Confident | 81.2 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.5 | -42.2 | -175.9 | 172.8 | 174.3 | -3.7 | 0 | 0 | 110.1 | M67 L73 F101 D408 G409 E410 H425 | M67-Q69 PolarHBondContact O-N 2.83Å; Q69-L73 HydrophobicContact CG-CD1 3.67Å; Q69-L73 HydrophobicContact CG-CG 4.39Å; Q69-L73 WeakPolarHBondContact O-CB 3.29Å; Q69-L73 WeakPolarHBondContact O-CD1 3.41Å; Q69-L73 WeakPolarHBondContact O-CG 3.15Å; Q69-L73 PolarHBondContact O-N 3.22Å; Q69-F101 HydrophobicContact CB-CE1 4Å; Q69-F101 HydrophobicContact CB-CZ 3.66Å; Q69-F101 HydrophobicContact CG-CD1 4.28Å; Q69-F101 HydrophobicContact CG-CE1 3.52Å; Q69-F101 HydrophobicContact CG-CZ 3.7Å; Q69-D408 PolarHBondContact N-OD1 2.97Å; Q69-G409 VanDerWaalsContact OE1-CA 3.28Å; Q69-E410 PolarHBondContact NE2-OE1 3.4Å; Q69-H425 PolarHBondContact OE1-CE1 2.89Å |
| 70 | F | 85.6 | Confident | 82.7 | Confident | 21 Ų | 21 | 32.6 Ų | 32.6 | 9% | 0.092 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.3 | -50.4 | 176 | 179.6 | -95.2 | 0 | 0 | 0 | 112.9 | S68 K74 Q387 Y388 S391 D408 F427 Y443 | S68-F70 PolarHBondContact O-N 3.12Å; F70-K74 WeakPolarHBondContact O-CB 3.37Å; F70-K74 PolarHBondContact O-N 3.49Å; F70-Q387 HydrophobicContact CE1-CB 4.3Å; F70-Y388 HydrophobicContact CB-CE1 3.9Å; F70-Y388 AromaticContact CD1-CD1 3.63Å; F70-Y388 HydrophobicContact CD1-CD1 3.63Å; F70-Y388 AromaticContact CD1-CE1 3.4Å; F70-Y388 HydrophobicContact CD1-CE1 3.4Å; F70-Y388 VanDerWaalsContact CD1-CE1 3.4Å; F70-Y388 AromaticContact CE1-CD1 3.9Å; F70-Y388 HydrophobicContact CE1-CD1 3.9Å; F70-Y388 HydrophobicContact CE1-CE1 4.11Å; F70-Y388 HydrophobicContact CG-CD1 4.06Å; F70-Y388 AromaticContact CG-CE1 3.79Å; F70-Y388 HydrophobicContact CG-CE1 3.79Å; F70-S391 VanDerWaalsContact CE2-OG 3.3Å; F70-S391 WeakPolarHBondContact CE2-OG 3.45Å; F70-D408 WeakPolarHBondContact CB-OD2 3.42Å; F70-D408 PolarHBondContact N-OD1 2.82Å; F70-D408 PolarHBondContact N-OD2 3.35Å; F70-F427 HydrophobicContact CB-CE1 4.32Å; F70-Y443 AromaticContact CD2-CE2 3.56Å; F70-Y443 HydrophobicContact CD2-CE2 3.56Å; F70-Y443 AromaticContact CE2-CE2 3.84Å; F70-Y443 HydrophobicContact CE2-CE2 3.84Å |
| 71 | L | 84.3 | Confident | 83.9 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71.1 | -40.8 | -175.2 | -57.3 | 176.3 | 0 | 0 | 0 | 112 | N62 P65 S68 K74 N75 E384 Y388 | N62-L71 HydrophobicContact CB-CB 4.08Å; N62-L71 HydrophobicContact CB-CD1 4.18Å; N62-L71 HydrophobicContact CB-CD2 4.49Å; N62-L71 HydrophobicContact CB-CG 4.47Å; N62-L71 WeakPolarHBondContact ND2-CD2 3.39Å; P65-L71 HydrophobicContact CB-CB 3.7Å; P65-L71 HydrophobicContact CB-CD1 4.48Å; S68-L71 PolarHBondContact O-N 3.3Å; S68-L71 VanDerWaalsContact O-N 3.12Å; S68-L71 VanDerWaalsContact OG-CG 3.3Å; S68-L71 WeakPolarHBondContact OG-CG 3.43Å; L71-K74 WeakPolarHBondContact O-CB 3.46Å; L71-K74 PolarHBondContact O-N 2.96Å; L71-N75 PolarHBondContact O-N 3.45Å; L71-N75 PolarHBondContact O-OD1 3.35Å; L71-E384 HydrophobicContact CD1-CG 4.14Å; L71-E384 WeakPolarHBondContact CD1-OE1 3.42Å; L71-E384 HydrophobicContact CD2-CG 4.27Å; L71-Y388 HydrophobicContact CD2-CE1 4.45Å |
| 72 | C | 89.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.5 | -48.6 | 175 | -67 | 0 | 0 | 0 | 0 | 111 | S68 K74 N75 I76 F101 | S68-C72 WeakPolarHBondContact O-CB 3.43Å; S68-C72 PolarHBondContact O-N 2.91Å; S68-C72 PolarHBondContact O-SG 2.9Å; C72-K74 VanDerWaalsContact C-N 3.28Å; C72-K74 PolarHBondContact O-N 3.31Å; C72-N75 PolarHBondContact O-N 3.31Å; C72-I76 VanDerWaalsContact O-CG1 3.29Å; C72-I76 WeakPolarHBondContact O-CG1 3.35Å; C72-I76 PolarHBondContact O-N 3.41Å; C72-F101 HydrophobicContact CB-CD2 3.58Å; C72-F101 HydrophobicContact CB-CE2 3.49Å; C72-F101 VanDerWaalsContact CB-CE2 3.49Å |
| 73 | L | 89.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.7 | -33.7 | 178.2 | -70 | 168.9 | 0 | 0 | 0 | 112.3 | Q69 R77 A97 F98 F101 | Q69-L73 HydrophobicContact CG-CD1 3.67Å; Q69-L73 HydrophobicContact CG-CG 4.39Å; Q69-L73 WeakPolarHBondContact O-CB 3.29Å; Q69-L73 WeakPolarHBondContact O-CD1 3.41Å; Q69-L73 WeakPolarHBondContact O-CG 3.15Å; Q69-L73 PolarHBondContact O-N 3.22Å; L73-R77 WeakPolarHBondContact O-CB 3.37Å; L73-R77 VanDerWaalsContact O-CG 3.24Å; L73-R77 WeakPolarHBondContact O-CG 3.47Å; L73-R77 PolarHBondContact O-N 2.7Å; L73-R77 PolarHBondContact O-NH1 2.9Å; L73-A97 HydrophobicContact CD2-CB 3.82Å; L73-F98 HydrophobicContact CD1-CE1 3.81Å; L73-F98 HydrophobicContact CD1-CE2 4.26Å; L73-F98 HydrophobicContact CD1-CZ 3.36Å; L73-F98 HydrophobicContact CD2-CD1 4.34Å; L73-F98 HydrophobicContact CD2-CD2 4.45Å; L73-F98 HydrophobicContact CD2-CE1 3.94Å; L73-F98 HydrophobicContact CD2-CE2 3.98Å; L73-F98 HydrophobicContact CD2-CZ 3.68Å; L73-F98 HydrophobicContact CG-CZ 4.18Å; L73-F101 HydrophobicContact CD2-CB 3.67Å; L73-F101 HydrophobicContact CD2-CD1 4.29Å; L73-F101 HydrophobicContact CD2-CG 3.92Å; L73-F101 HydrophobicContact CG-CB 4.45Å; L73-F101 HydrophobicContact CG-CD1 4.46Å; L73-F101 HydrophobicContact CG-CG 4.2Å |
| 74 | K | 88.9 | Confident | 86.8 | Confident | 57 Ų | 57 | 29.4 Ų | 29.4 | 25% | 0.248 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.9 | -50.5 | 172.9 | 179 | 179.1 | 166.7 | -176.1 | 0 | 110.7 | E60 F70 L71 C72 I76 R77 T78 Q387 | E60-K74 VanDerWaalsContact O-CE 3.24Å; E60-K74 WeakPolarHBondContact O-CE 3.45Å; E60-K74 PolarHBondContact O-NZ 2.95Å; F70-K74 WeakPolarHBondContact O-CB 3.37Å; F70-K74 PolarHBondContact O-N 3.49Å; L71-K74 WeakPolarHBondContact O-CB 3.46Å; L71-K74 PolarHBondContact O-N 2.96Å; C72-K74 VanDerWaalsContact C-N 3.28Å; C72-K74 PolarHBondContact O-N 3.31Å; K74-I76 PolarHBondContact O-N 3.49Å; K74-R77 PolarHBondContact O-N 2.85Å; K74-T78 PolarHBondContact O-N 3.46Å; K74-T78 PolarHBondContact O-OG1 2.81Å; K74-T78 VanDerWaalsContact O-OG1 3.09Å; K74-Q387 VanDerWaalsContact NZ-CD 3.32Å |
| 75 | N | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.2 | -47.7 | 177.9 | -67.7 | -8 | 0 | 0 | 0 | 111.8 | D40 V42 C45 I61 N62 L71 C72 R77 T78 F79 | D40-N75 VanDerWaalsContact O-CB 3.25Å; D40-N75 WeakPolarHBondContact O-CB 3.23Å; D40-N75 PolarHBondContact O-ND2 3.47Å; D40-N75 VanDerWaalsContact O-ND2 3.13Å; V42-N75 WeakPolarHBondContact CG2-ND2 3.24Å; C45-N75 PolarHBondContact SG-O 2.85Å; C45-N75 VanDerWaalsContact SG-O 3.34Å; I61-N75 WeakPolarHBondContact CA-OD1 3.5Å; I61-N75 WeakPolarHBondContact CB-OD1 3.48Å; N62-N75 PolarHBondContact N-OD1 3Å; N62-N75 PolarHBondContact O-ND2 3.5Å; L71-N75 PolarHBondContact O-N 3.45Å; L71-N75 PolarHBondContact O-OD1 3.35Å; C72-N75 PolarHBondContact O-N 3.31Å; N75-R77 VanDerWaalsContact C-N 3.32Å; N75-R77 PolarHBondContact O-N 3.04Å; N75-T78 WeakPolarHBondContact O-CB 3.3Å; N75-T78 PolarHBondContact O-N 2.98Å; N75-T78 VanDerWaalsContact O-N 3.16Å; N75-F79 PolarHBondContact O-N 3.37Å |
| 76 | I | 95.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.9 | -44.6 | 177.7 | -65 | 165.3 | 0 | 0 | 0 | 110.9 | R39 C72 K74 F79 L80 F95 A97 L100 F101 | R39-I76 WeakPolarHBondContact O-CD1 3.48Å; C72-I76 VanDerWaalsContact O-CG1 3.29Å; C72-I76 WeakPolarHBondContact O-CG1 3.35Å; C72-I76 PolarHBondContact O-N 3.41Å; K74-I76 PolarHBondContact O-N 3.49Å; I76-F79 WeakPolarHBondContact O-CB 3.39Å; I76-F79 PolarHBondContact O-N 2.89Å; I76-L80 HydrophobicContact CG2-CD1 4.07Å; I76-L80 HydrophobicContact CG2-CG 4.45Å; I76-L80 VanDerWaalsContact O-CG 3.32Å; I76-L80 WeakPolarHBondContact O-CG 3.31Å; I76-L80 PolarHBondContact O-N 2.77Å; I76-F95 HydrophobicContact CG2-CE2 3.55Å; I76-F95 HydrophobicContact CG2-CZ 4.01Å; I76-A97 HydrophobicContact CB-CB 4.42Å; I76-A97 HydrophobicContact CG2-CB 3.88Å; I76-L100 HydrophobicContact CD1-CB 4.36Å; I76-L100 HydrophobicContact CD1-CD2 4.06Å; I76-L100 HydrophobicContact CD1-CG 4.16Å; I76-L100 HydrophobicContact CG1-CD2 4.02Å; I76-L100 HydrophobicContact CG2-CD2 4.43Å; I76-F101 HydrophobicContact CD1-CB 3.9Å |
| 77 | R | 93.4 | Very high | 90.5 | Very high | 54 Ų | 54 | 26.4 Ų | 26.4 | 20% | 0.204 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.8 | -40.6 | 176.6 | -72.6 | -178.5 | -166.1 | 103.9 | -6.6 | 111.8 | L73 K74 N75 F79 L80 V81 A97 D441 | L73-R77 WeakPolarHBondContact O-CB 3.37Å; L73-R77 VanDerWaalsContact O-CG 3.24Å; L73-R77 WeakPolarHBondContact O-CG 3.47Å; L73-R77 PolarHBondContact O-N 2.7Å; L73-R77 PolarHBondContact O-NH1 2.9Å; K74-R77 PolarHBondContact O-N 2.85Å; N75-R77 VanDerWaalsContact C-N 3.32Å; N75-R77 PolarHBondContact O-N 3.04Å; R77-F79 VanDerWaalsContact C-N 3.31Å; R77-F79 PolarHBondContact O-N 2.9Å; R77-L80 PolarHBondContact O-N 3.22Å; R77-L80 VanDerWaalsContact O-N 3.16Å; R77-V81 WeakPolarHBondContact O-CG2 3.31Å; R77-V81 PolarHBondContact O-N 3.22Å; R77-A97 HydrophobicContact CG-CB 4.1Å; R77-D441 IonicContact CZ-OD1 3.52Å; R77-D441 IonicContact NE-OD1 2.84Å; R77-D441 PolarHBondContact NE-OD1 2.85Å; R77-D441 VanDerWaalsContact NE-OD1 3.11Å; R77-D441 IonicContact NE-OD2 3.56Å; R77-D441 IonicContact NH2-OD1 3.87Å; R77-D441 PolarHBondContact NH2-OD1 2.86Å |
| 78 | T | 92.9 | Very high | 91.7 | Very high | 33 Ų | 33 | 28 Ų | 28 | 20% | 0.202 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.2 | -44.3 | 175 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | I56 I61 K74 N75 V81 A82 | I56-T78 HydrophobicContact CD1-CG2 4.23Å; I56-T78 HydrophobicContact CG1-CG2 4.39Å; I56-T78 HydrophobicContact CG2-CG2 3.94Å; I61-T78 HydrophobicContact CG2-CG2 3.77Å; K74-T78 PolarHBondContact O-N 3.46Å; K74-T78 PolarHBondContact O-OG1 2.81Å; K74-T78 VanDerWaalsContact O-OG1 3.09Å; N75-T78 WeakPolarHBondContact O-CB 3.3Å; N75-T78 PolarHBondContact O-N 2.98Å; N75-T78 VanDerWaalsContact O-N 3.16Å; T78-V81 PolarHBondContact O-N 3.32Å; T78-A82 WeakPolarHBondContact O-CB 3.31Å; T78-A82 PolarHBondContact O-N 3.15Å |
| 79 | F | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.6 | -49.7 | 172.3 | 164 | -97.3 | 0 | 0 | 0 | 112.2 | L44 L48 N75 I76 R77 V81 A82 C83 F95 L113 L116 | L44-F79 HydrophobicContact CB-CB 4.18Å; L44-F79 HydrophobicContact CB-CD1 4.32Å; L44-F79 HydrophobicContact CB-CD2 3.63Å; L44-F79 HydrophobicContact CB-CE2 4.03Å; L44-F79 HydrophobicContact CB-CG 3.77Å; L44-F79 HydrophobicContact CD1-CD1 4.11Å; L44-F79 HydrophobicContact CD1-CE1 4.29Å; L44-F79 HydrophobicContact CD1-CG 4.38Å; L44-F79 HydrophobicContact CD2-CE2 4.43Å; L44-F79 HydrophobicContact CD2-CZ 4.44Å; L44-F79 VanDerWaalsContact O-CD2 3.24Å; L44-F79 WeakPolarHBondContact O-CD2 3.42Å; L48-F79 HydrophobicContact CD1-CD2 3.6Å; L48-F79 HydrophobicContact CD1-CE2 4Å; L48-F79 HydrophobicContact CD1-CG 4.5Å; L48-F79 HydrophobicContact CD2-CD2 4.19Å; L48-F79 HydrophobicContact CD2-CE2 3.79Å; L48-F79 HydrophobicContact CG-CD2 3.71Å; L48-F79 HydrophobicContact CG-CE2 3.84Å; N75-F79 PolarHBondContact O-N 3.37Å; I76-F79 WeakPolarHBondContact O-CB 3.39Å; I76-F79 PolarHBondContact O-N 2.89Å; R77-F79 VanDerWaalsContact C-N 3.31Å; R77-F79 PolarHBondContact O-N 2.9Å; F79-V81 PolarHBondContact O-N 3.33Å; F79-A82 PolarHBondContact O-N 2.98Å; F79-C83 WeakPolarHBondContact CE2-SG 3.17Å; F79-C83 WeakPolarHBondContact CZ-SG 3.4Å; F79-C83 PolarHBondContact O-N 3.46Å; F79-C83 PolarHBondContact O-SG 3.44Å; F79-C83 VanDerWaalsContact O-SG 3.4Å; F79-F95 HydrophobicContact CD1-CE1 4.22Å; F79-F95 HydrophobicContact CD1-CZ 4.07Å; F79-F95 AromaticContact CE1-CE1 3.64Å; F79-F95 HydrophobicContact CE1-CE1 3.64Å; F79-F95 AromaticContact CE1-CZ 3.95Å; F79-F95 HydrophobicContact CE1-CZ 3.95Å; F79-L113 HydrophobicContact CZ-CD2 4.06Å; F79-L116 HydrophobicContact CE2-CD2 4.15Å; F79-L116 HydrophobicContact CZ-CD2 4.27Å |
| 80 | L | 96.6 | Very high | 93 | Very high | 20 Ų | 20 | 33.8 Ų | 33.8 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | -177.9 | -67.6 | 170.1 | 0 | 0 | 0 | 112.5 | I76 R77 C83 S84 L94 F95 | I76-L80 HydrophobicContact CG2-CD1 4.07Å; I76-L80 HydrophobicContact CG2-CG 4.45Å; I76-L80 VanDerWaalsContact O-CG 3.32Å; I76-L80 WeakPolarHBondContact O-CG 3.31Å; I76-L80 PolarHBondContact O-N 2.77Å; R77-L80 PolarHBondContact O-N 3.22Å; R77-L80 VanDerWaalsContact O-N 3.16Å; L80-C83 PolarHBondContact O-N 3.43Å; L80-S84 PolarHBondContact O-N 3.42Å; L80-L94 HydrophobicContact CD2-CB 4.19Å; L80-L94 HydrophobicContact CD2-CD2 4.38Å; L80-F95 HydrophobicContact CD1-CD2 4.41Å; L80-F95 HydrophobicContact CD1-CE2 4.25Å; L80-F95 VanDerWaalsContact CD1-O 3.27Å; L80-F95 WeakPolarHBondContact CD1-O 3.35Å; L80-F95 HydrophobicContact CD2-CD1 3.88Å; L80-F95 HydrophobicContact CD2-CD2 4.22Å; L80-F95 HydrophobicContact CD2-CE1 3.77Å; L80-F95 HydrophobicContact CD2-CE2 4.09Å; L80-F95 HydrophobicContact CD2-CG 4.11Å; L80-F95 HydrophobicContact CD2-CZ 3.86Å; L80-F95 WeakPolarHBondContact CD2-O 3.3Å; L80-F95 HydrophobicContact CG-CE2 4.43Å; L80-F95 HydrophobicContact CG-CZ 4.38Å |
| 81 | V | 94.6 | Very high | 93.3 | Very high | 82 Ų | 82 | 41.6 Ų | 41.6 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.7 | -48.1 | 175.3 | 170.6 | 0 | 0 | 0 | 0 | 110.2 | R77 T78 F79 C83 S84 D85 | R77-V81 WeakPolarHBondContact O-CG2 3.31Å; R77-V81 PolarHBondContact O-N 3.22Å; T78-V81 PolarHBondContact O-N 3.32Å; F79-V81 PolarHBondContact O-N 3.33Å; V81-C83 VanDerWaalsContact C-N 3.33Å; V81-C83 PolarHBondContact O-N 2.86Å; V81-S84 PolarHBondContact O-N 3.09Å; V81-D85 VanDerWaalsContact CG1-OD2 3.31Å; V81-D85 WeakPolarHBondContact CG1-OD2 3.36Å; V81-D85 PolarHBondContact O-N 3.01Å |
| 82 | A | 94.8 | Very high | 93.7 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.2 | -36.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L48 I56 T78 F79 S84 S86 F87 | L48-A82 HydrophobicContact CD1-CB 3.52Å; I56-A82 HydrophobicContact CD1-CB 3.75Å; I56-A82 HydrophobicContact CG1-CB 3.65Å; T78-A82 WeakPolarHBondContact O-CB 3.31Å; T78-A82 PolarHBondContact O-N 3.15Å; F79-A82 PolarHBondContact O-N 2.98Å; A82-S84 VanDerWaalsContact C-N 3.28Å; A82-S84 PolarHBondContact O-N 2.89Å; A82-S86 WeakPolarHBondContact O-CA 3.34Å; A82-S86 VanDerWaalsContact O-CB 3.29Å; A82-S86 WeakPolarHBondContact O-CB 3.44Å; A82-S86 PolarHBondContact O-N 3.27Å; A82-F87 PolarHBondContact O-N 2.99Å |
| 83 | C | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -38.4 | 172 | -77.4 | 0 | 0 | 0 | 0 | 112.4 | F79 L80 V81 F87 G88 M89 L94 | F79-C83 WeakPolarHBondContact CE2-SG 3.17Å; F79-C83 WeakPolarHBondContact CZ-SG 3.4Å; F79-C83 PolarHBondContact O-N 3.46Å; F79-C83 PolarHBondContact O-SG 3.44Å; F79-C83 VanDerWaalsContact O-SG 3.4Å; L80-C83 PolarHBondContact O-N 3.43Å; V81-C83 VanDerWaalsContact C-N 3.33Å; V81-C83 PolarHBondContact O-N 2.86Å; C83-F87 CarbonylContact O-C 3.45Å; C83-F87 WeakPolarHBondContact O-CB 3.39Å; C83-F87 PolarHBondContact O-N 3Å; C83-G88 PolarHBondContact O-N 2.93Å; C83-M89 HydrophobicContact CB-SD 3.84Å; C83-M89 WeakPolarHBondContact O-CB 3.41Å; C83-M89 PolarHBondContact O-N 3.36Å; C83-M89 VanDerWaalsContact O-N 3.13Å; C83-L94 HydrophobicContact CB-CD2 3.81Å |
| 84 | S | 94.9 | Very high | 94.3 | Very high | 47 Ų | 47 | 49.7 Ų | 49.7 | 33% | 0.329 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -74.8 | -51.1 | 176.7 | -154.5 | 0 | 0 | 0 | 0 | 111.7 | L80 V81 A82 G88 M89 | L80-S84 PolarHBondContact O-N 3.42Å; V81-S84 PolarHBondContact O-N 3.09Å; A82-S84 VanDerWaalsContact C-N 3.28Å; A82-S84 PolarHBondContact O-N 2.89Å; S84-G88 WeakPolarHBondContact O-CA 3.38Å; S84-G88 PolarHBondContact O-N 3.16Å; S84-G88 VanDerWaalsContact O-N 3.16Å; S84-M89 PolarHBondContact OG-O 2.88Å; S84-M89 VanDerWaalsContact OG-O 3.07Å |
| 85 | D | 93.6 | Very high | 94.6 | Very high | 130 Ų | 130 | 47.2 Ų | 47.2 | 70% | 0.695 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -74.7 | -39.4 | -170.7 | -68.2 | -11.1 | 0 | 0 | 0 | 113 | V81 | V81-D85 VanDerWaalsContact CG1-OD2 3.31Å; V81-D85 WeakPolarHBondContact CG1-OD2 3.36Å; V81-D85 PolarHBondContact O-N 3.01Å |
| 86 | S | 93.6 | Very high | 94.7 | Very high | 34 Ų | 34 | 51.8 Ų | 51.8 | 24% | 0.238 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -103.4 | -25.4 | -173.4 | -91.7 | 0 | 0 | 0 | 0 | 114.8 | K52 C55 A82 I121 | K52-S86 PolarHBondContact NZ-O 3.41Å; K52-S86 PolarHBondContact NZ-OG 2.75Å; C55-S86 WeakPolarHBondContact SG-CB 3.25Å; A82-S86 WeakPolarHBondContact O-CA 3.34Å; A82-S86 VanDerWaalsContact O-CB 3.29Å; A82-S86 WeakPolarHBondContact O-CB 3.44Å; A82-S86 PolarHBondContact O-N 3.27Å; S86-I121 WeakPolarHBondContact O-CD1 2.93Å |
| 87 | F | 95.1 | Very high | 94.6 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -111.1 | -2.4 | -179.5 | -68.9 | -100.9 | 0 | 0 | 0 | 113.2 | L48 L51 K52 C55 A82 C83 M89 L116 T119 I121 | L48-F87 HydrophobicContact CB-CE2 4.01Å; L48-F87 HydrophobicContact CB-CZ 4.37Å; L48-F87 HydrophobicContact CD1-CE2 4.27Å; L48-F87 HydrophobicContact CD2-CD2 4.13Å; L48-F87 HydrophobicContact CD2-CE2 3.67Å; L48-F87 HydrophobicContact CD2-CZ 3.93Å; L48-F87 HydrophobicContact CG-CE2 4.19Å; L51-F87 HydrophobicContact CB-CE1 3.95Å; L51-F87 HydrophobicContact CB-CZ 3.9Å; L51-F87 HydrophobicContact CD1-CE1 4.24Å; K52-F87 HydrophobicContact CB-CE2 4.33Å; K52-F87 HydrophobicContact CB-CZ 3.79Å; C55-F87 HydrophobicContact CB-CE2 4.5Å; A82-F87 PolarHBondContact O-N 2.99Å; C83-F87 CarbonylContact O-C 3.45Å; C83-F87 WeakPolarHBondContact O-CB 3.39Å; C83-F87 PolarHBondContact O-N 3Å; F87-M89 VanDerWaalsContact C-N 3.26Å; F87-M89 HydrophobicContact CB-CG 4.31Å; F87-M89 PolarHBondContact O-N 2.97Å; F87-L116 HydrophobicContact CB-CD1 4.17Å; F87-L116 HydrophobicContact CD1-CD1 3.57Å; F87-L116 HydrophobicContact CD2-CD1 4.46Å; F87-L116 HydrophobicContact CE1-CD1 4.03Å; F87-L116 HydrophobicContact CG-CD1 3.82Å; F87-T119 HydrophobicContact CB-CG2 4.4Å; F87-I121 HydrophobicContact CD1-CB 3.99Å; F87-I121 HydrophobicContact CD1-CD1 4.04Å; F87-I121 HydrophobicContact CD1-CG2 4.21Å; F87-I121 HydrophobicContact CE1-CB 3.93Å; F87-I121 HydrophobicContact CE1-CD1 4.4Å; F87-I121 HydrophobicContact CE1-CG2 3.66Å; F87-I121 HydrophobicContact CG-CD1 4.34Å; F87-I121 HydrophobicContact CZ-CG2 4.29Å |
| 88 | G | 93.6 | Very high | 94.4 | Very high | 62 Ų | 62 | 51 Ų | 51 | 64% | 0.639 | 29% | 0.289 | S | S | * | . | trans | 69.9 | 19.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | C83 S84 | C83-G88 PolarHBondContact O-N 2.93Å; S84-G88 WeakPolarHBondContact O-CA 3.38Å; S84-G88 PolarHBondContact O-N 3.16Å; S84-G88 VanDerWaalsContact O-N 3.16Å | ||
| 89 | M | 96.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 3% | 0.034 | 28% | 0.284 | C | S | . | . | trans | -73.1 | 140 | -179.5 | -62.6 | -179.5 | 68 | 0 | 0 | 111.2 | C83 S84 F87 E93 L94 T112 K115 L116 T119 | C83-M89 HydrophobicContact CB-SD 3.84Å; C83-M89 WeakPolarHBondContact O-CB 3.41Å; C83-M89 PolarHBondContact O-N 3.36Å; C83-M89 VanDerWaalsContact O-N 3.13Å; S84-M89 PolarHBondContact OG-O 2.88Å; S84-M89 VanDerWaalsContact OG-O 3.07Å; F87-M89 VanDerWaalsContact C-N 3.26Å; F87-M89 HydrophobicContact CB-CG 4.31Å; F87-M89 PolarHBondContact O-N 2.97Å; M89-E93 HydrophobicContact CE-CB 4.43Å; M89-L94 HydrophobicContact CB-CD2 4.06Å; M89-L94 HydrophobicContact CE-CD2 3.99Å; M89-L94 HydrophobicContact SD-CD2 4.29Å; M89-T112 HydrophobicContact CE-CG2 3.92Å; M89-T112 WeakPolarHBondContact CE-O 3.5Å; M89-K115 HydrophobicContact CE-CB 3.84Å; M89-L116 HydrophobicContact CE-CB 4.33Å; M89-L116 HydrophobicContact SD-CB 4Å; M89-L116 HydrophobicContact SD-CD1 3.89Å; M89-T119 HydrophobicContact CG-CG2 4.26Å | ||
| 90 | K | 94.7 | Very high | 94.3 | Very high | 136 Ų | 136 | 50.3 Ų | 50.3 | 59% | 0.591 | 28% | 0.284 | S | S | * | . | trans | -77.4 | 150.4 | 179.4 | -62.7 | 173.8 | -175.8 | 167.1 | 0 | 110.5 | S92 E93 | K90-S92 PolarHBondContact O-N 3.25Å; K90-S92 VanDerWaalsContact O-N 3.1Å; K90-E93 HydrophobicContact CB-CG 4.1Å; K90-E93 PolarHBondContact N-OE2 2.94Å; K90-E93 WeakPolarHBondContact O-CA 3.46Å; K90-E93 VanDerWaalsContact O-CB 3.29Å; K90-E93 WeakPolarHBondContact O-CB 3.43Å; K90-E93 PolarHBondContact O-N 2.94Å | ||
| 91 | K | 91.8 | Very high | 93.9 | Very high | 185 Ų | 185 | 49.9 Ų | 49.9 | 80% | 0.804 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -55.6 | -32.1 | 176.2 | -169.2 | 174.3 | -179.1 | 176.9 | 0 | 113.9 | E93 L94 | K91-E93 PolarHBondContact O-N 3.3Å; K91-L94 PolarHBondContact O-N 3.23Å |
| 92 | S | 93.7 | Very high | 93.5 | Very high | 100 Ų | 100 | 46.9 Ų | 46.9 | 70% | 0.699 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -69.8 | -14.3 | 175.3 | 55.9 | 0 | 0 | 0 | 0 | 114.1 | K90 | K90-S92 PolarHBondContact O-N 3.25Å; K90-S92 VanDerWaalsContact O-N 3.1Å |
| 93 | E | 94.4 | Very high | 93.2 | Very high | 52 Ų | 52 | 46.7 Ų | 46.7 | 24% | 0.243 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -96.5 | -7.5 | -179.7 | -62.5 | 168.8 | 166.1 | 0 | 0 | 112.4 | M89 K90 K91 T112 K115 | M89-E93 HydrophobicContact CE-CB 4.43Å; K90-E93 HydrophobicContact CB-CG 4.1Å; K90-E93 PolarHBondContact N-OE2 2.94Å; K90-E93 WeakPolarHBondContact O-CA 3.46Å; K90-E93 VanDerWaalsContact O-CB 3.29Å; K90-E93 WeakPolarHBondContact O-CB 3.43Å; K90-E93 PolarHBondContact O-N 2.94Å; K91-E93 PolarHBondContact O-N 3.3Å; E93-T112 PolarHBondContact O-OG1 3.41Å; E93-K115 HydrophobicContact CB-CD 3.62Å; E93-K115 HydrophobicContact CG-CD 3.75Å |
| 94 | L | 96.3 | Very high | 92.7 | Very high | 19 Ų | 19 | 53 Ų | 53 | 10% | 0.099 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -101.9 | 146.3 | -176 | -60.6 | 179.2 | 0 | 0 | 0 | 111.2 | L80 C83 M89 K91 K108 T112 | L80-L94 HydrophobicContact CD2-CB 4.19Å; L80-L94 HydrophobicContact CD2-CD2 4.38Å; C83-L94 HydrophobicContact CB-CD2 3.81Å; M89-L94 HydrophobicContact CB-CD2 4.06Å; M89-L94 HydrophobicContact CE-CD2 3.99Å; M89-L94 HydrophobicContact SD-CD2 4.29Å; K91-L94 PolarHBondContact O-N 3.23Å; L94-K108 WeakPolarHBondContact O-CE 3.48Å; L94-T112 HydrophobicContact CD2-CG2 3.88Å |
| 95 | F | 96.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 2% | 0.022 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 159.7 | 169.5 | 68.2 | -94.1 | 0 | 0 | 0 | 112 | L44 I76 F79 L80 D99 L100 K108 V109 T112 | L44-F95 HydrophobicContact CD1-CZ 4.14Å; I76-F95 HydrophobicContact CG2-CE2 3.55Å; I76-F95 HydrophobicContact CG2-CZ 4.01Å; F79-F95 HydrophobicContact CD1-CE1 4.22Å; F79-F95 HydrophobicContact CD1-CZ 4.07Å; F79-F95 AromaticContact CE1-CE1 3.64Å; F79-F95 HydrophobicContact CE1-CE1 3.64Å; F79-F95 AromaticContact CE1-CZ 3.95Å; F79-F95 HydrophobicContact CE1-CZ 3.95Å; L80-F95 HydrophobicContact CD1-CD2 4.41Å; L80-F95 HydrophobicContact CD1-CE2 4.25Å; L80-F95 VanDerWaalsContact CD1-O 3.27Å; L80-F95 WeakPolarHBondContact CD1-O 3.35Å; L80-F95 HydrophobicContact CD2-CD1 3.88Å; L80-F95 HydrophobicContact CD2-CD2 4.22Å; L80-F95 HydrophobicContact CD2-CE1 3.77Å; L80-F95 HydrophobicContact CD2-CE2 4.09Å; L80-F95 HydrophobicContact CD2-CG 4.11Å; L80-F95 HydrophobicContact CD2-CZ 3.86Å; L80-F95 WeakPolarHBondContact CD2-O 3.3Å; L80-F95 HydrophobicContact CG-CE2 4.43Å; L80-F95 HydrophobicContact CG-CZ 4.38Å; F95-D99 HydrophobicContact CB-CB 4.05Å; F95-D99 HydrophobicContact CD2-CB 4.26Å; F95-L100 HydrophobicContact CD2-CB 4.16Å; F95-L100 HydrophobicContact CE2-CB 3.62Å; F95-L100 HydrophobicContact CE2-CD2 3.95Å; F95-L100 HydrophobicContact CE2-CG 4.48Å; F95-L100 HydrophobicContact CZ-CB 4.27Å; F95-L100 HydrophobicContact CZ-CD2 3.83Å; F95-K108 HydrophobicContact CB-CB 4.43Å; F95-K108 HydrophobicContact CB-CD 4.4Å; F95-K108 HydrophobicContact CB-CG 3.99Å; F95-V109 HydrophobicContact CB-CG2 4.19Å; F95-V109 HydrophobicContact CD1-CB 4.21Å; F95-V109 HydrophobicContact CD1-CG1 4.17Å; F95-V109 HydrophobicContact CD1-CG2 4.08Å; F95-V109 HydrophobicContact CD2-CG2 3.92Å; F95-V109 HydrophobicContact CE1-CB 4.45Å; F95-V109 HydrophobicContact CE1-CG1 3.92Å; F95-V109 HydrophobicContact CE1-CG2 4.42Å; F95-V109 HydrophobicContact CE2-CG2 4.3Å; F95-V109 HydrophobicContact CG-CB 4.42Å; F95-V109 HydrophobicContact CG-CG2 3.83Å; F95-V109 HydrophobicContact CZ-CG1 4.29Å; F95-T112 HydrophobicContact CD1-CG2 3.87Å; F95-T112 WeakPolarHBondContact CD1-OG1 3.39Å; F95-T112 HydrophobicContact CE1-CG2 4.22Å; F95-T112 PolarHBondContact N-OG1 3.47Å |
| 96 | D | 93.9 | Very high | 92.3 | Very high | 97 Ų | 97 | 48.1 Ų | 48.1 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 145 | 171.6 | -68.2 | -69.8 | 0 | 0 | 0 | 109.4 | F98 D99 K108 | D96-F98 PolarHBondContact O-N 3.31Å; D96-D99 PolarHBondContact N-OD2 3.3Å; D96-D99 WeakPolarHBondContact O-CA 3.4Å; D96-D99 WeakPolarHBondContact O-CB 3.47Å; D96-D99 PolarHBondContact O-N 3.45Å; D96-K108 IonicContact OD2-NZ 2.99Å; D96-K108 PolarHBondContact OD2-NZ 3.39Å |
| 97 | A | 92.7 | Very high | 92.1 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 8% | 0.083 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53.5 | -29 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L73 I76 R77 F101 | L73-A97 HydrophobicContact CD2-CB 3.82Å; I76-A97 HydrophobicContact CB-CB 4.42Å; I76-A97 HydrophobicContact CG2-CB 3.88Å; R77-A97 HydrophobicContact CG-CB 4.1Å; A97-F101 WeakPolarHBondContact O-CB 3.42Å; A97-F101 PolarHBondContact O-N 3.36Å; A97-F101 VanDerWaalsContact O-N 3.09Å |
| 98 | F | 89.6 | Confident | 92 | Very high | 26 Ų | 26 | 49 Ų | 49 | 11% | 0.114 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -77.5 | -21.1 | 176.7 | -68.9 | -84.6 | 0 | 0 | 0 | 114.3 | L73 D96 L100 D102 R438 | L73-F98 HydrophobicContact CD1-CE1 3.81Å; L73-F98 HydrophobicContact CD1-CE2 4.26Å; L73-F98 HydrophobicContact CD1-CZ 3.36Å; L73-F98 HydrophobicContact CD2-CD1 4.34Å; L73-F98 HydrophobicContact CD2-CD2 4.45Å; L73-F98 HydrophobicContact CD2-CE1 3.94Å; L73-F98 HydrophobicContact CD2-CE2 3.98Å; L73-F98 HydrophobicContact CD2-CZ 3.68Å; L73-F98 HydrophobicContact CG-CZ 4.18Å; D96-F98 PolarHBondContact O-N 3.31Å; F98-L100 PolarHBondContact O-N 2.69Å; F98-D102 WeakPolarHBondContact CD1-OD2 3.36Å; F98-D102 PolarHBondContact O-N 3.04Å; F98-R438 VanDerWaalsContact CE1-NH1 3.31Å |
| 99 | D | 92.2 | Very high | 92.1 | Very high | 19 Ų | 19 | 46 Ų | 46 | 10% | 0.102 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.4 | -30.4 | 174.3 | -64.3 | -21.3 | 0 | 0 | 0 | 110.6 | F95 D96 V103 R104 N105 K108 V109 | F95-D99 HydrophobicContact CB-CB 4.05Å; F95-D99 HydrophobicContact CD2-CB 4.26Å; D96-D99 PolarHBondContact N-OD2 3.3Å; D96-D99 WeakPolarHBondContact O-CA 3.4Å; D96-D99 WeakPolarHBondContact O-CB 3.47Å; D96-D99 PolarHBondContact O-N 3.45Å; D99-V103 CarbonylContact O-C 3.56Å; D99-V103 VanDerWaalsContact O-CA 3.28Å; D99-V103 WeakPolarHBondContact O-CA 3.44Å; D99-R104 PolarHBondContact O-N 3.12Å; D99-N105 HydrophobicContact CB-CB 4.11Å; D99-N105 CarbonylContact O-C 3.55Å; D99-N105 PolarHBondContact O-N 3.29Å; D99-K108 WeakPolarHBondContact OD2-CD 3.42Å; D99-K108 IonicContact OD2-NZ 2.62Å; D99-K108 PolarHBondContact OD2-NZ 2.78Å; D99-V109 HydrophobicContact CB-CG2 4.31Å |
| 100 | L | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -96.3 | -52.5 | 174.2 | 177.4 | 55.5 | 0 | 0 | 0 | 113 | L38 L44 I76 F95 F98 D102 V103 F106 V109 | L38-L100 HydrophobicContact CB-CD1 4.16Å; L44-L100 HydrophobicContact CD1-CD2 3.38Å; I76-L100 HydrophobicContact CD1-CB 4.36Å; I76-L100 HydrophobicContact CD1-CD2 4.06Å; I76-L100 HydrophobicContact CD1-CG 4.16Å; I76-L100 HydrophobicContact CG1-CD2 4.02Å; I76-L100 HydrophobicContact CG2-CD2 4.43Å; F95-L100 HydrophobicContact CD2-CB 4.16Å; F95-L100 HydrophobicContact CE2-CB 3.62Å; F95-L100 HydrophobicContact CE2-CD2 3.95Å; F95-L100 HydrophobicContact CE2-CG 4.48Å; F95-L100 HydrophobicContact CZ-CB 4.27Å; F95-L100 HydrophobicContact CZ-CD2 3.83Å; F98-L100 PolarHBondContact O-N 2.69Å; L100-D102 PolarHBondContact O-N 3.49Å; L100-V103 WeakPolarHBondContact O-CG2 3.32Å; L100-V103 PolarHBondContact O-N 3.19Å; L100-V103 VanDerWaalsContact O-N 3.1Å; L100-F106 HydrophobicContact CD1-CD2 4.25Å; L100-F106 HydrophobicContact CD1-CE2 3.84Å; L100-V109 HydrophobicContact CB-CG2 3.84Å; L100-V109 HydrophobicContact CD1-CG1 4.29Å; L100-V109 HydrophobicContact CD1-CG2 4.45Å |
| 101 | F | 90.1 | Very high | 91.8 | Very high | 12 Ų | 12 | 41.4 Ų | 41.4 | 5% | 0.053 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.8 | -43.8 | -170.8 | -179.2 | -96.6 | 0 | 0 | 0 | 113.4 | R39 Q69 C72 L73 I76 A97 | R39-F101 HydrophobicContact CG-CD2 4.47Å; R39-F101 PolarHBondContact NE-O 3.18Å; R39-F101 PolarHBondContact NH2-O 2.81Å; Q69-F101 HydrophobicContact CB-CE1 4Å; Q69-F101 HydrophobicContact CB-CZ 3.66Å; Q69-F101 HydrophobicContact CG-CD1 4.28Å; Q69-F101 HydrophobicContact CG-CE1 3.52Å; Q69-F101 HydrophobicContact CG-CZ 3.7Å; C72-F101 HydrophobicContact CB-CD2 3.58Å; C72-F101 HydrophobicContact CB-CE2 3.49Å; C72-F101 VanDerWaalsContact CB-CE2 3.49Å; L73-F101 HydrophobicContact CD2-CB 3.67Å; L73-F101 HydrophobicContact CD2-CD1 4.29Å; L73-F101 HydrophobicContact CD2-CG 3.92Å; L73-F101 HydrophobicContact CG-CB 4.45Å; L73-F101 HydrophobicContact CG-CD1 4.46Å; L73-F101 HydrophobicContact CG-CG 4.2Å; I76-F101 HydrophobicContact CD1-CB 3.9Å; A97-F101 WeakPolarHBondContact O-CB 3.42Å; A97-F101 PolarHBondContact O-N 3.36Å; A97-F101 VanDerWaalsContact O-N 3.09Å |
| 102 | D | 85.3 | Confident | 92.1 | Very high | 18 Ų | 18 | 32.6 Ų | 32.6 | 10% | 0.096 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -94.8 | 0.5 | 174.2 | -74.1 | -9.7 | 0 | 0 | 0 | 111.4 | F98 L100 R104 | F98-D102 WeakPolarHBondContact CD1-OD2 3.36Å; F98-D102 PolarHBondContact O-N 3.04Å; L100-D102 PolarHBondContact O-N 3.49Å; D102-R104 HydrophobicContact CB-CG 3.74Å; D102-R104 PolarHBondContact O-N 2.97Å; D102-R104 IonicContact OD2-CZ 2.69Å; D102-R104 VanDerWaalsContact OD2-CZ 3.32Å; D102-R104 IonicContact OD2-NE 2.91Å; D102-R104 PolarHBondContact OD2-NE 3.4Å; D102-R104 VanDerWaalsContact OD2-NE 3.09Å; D102-R104 IonicContact OD2-NH2 2.71Å; D102-R104 PolarHBondContact OD2-NH2 3.26Å |
| 103 | V | 87.4 | Confident | 92.2 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.03 | 14% | 0.136 | C | C | . | . | trans | 55.3 | 33.3 | -176.9 | -152.3 | 0 | 0 | 0 | 0 | 113 | A35 D99 L100 N105 F106 L145 I149 | A35-V103 HydrophobicContact CB-CG1 4.01Å; A35-V103 HydrophobicContact CB-CG2 4.46Å; D99-V103 CarbonylContact O-C 3.56Å; D99-V103 VanDerWaalsContact O-CA 3.28Å; D99-V103 WeakPolarHBondContact O-CA 3.44Å; L100-V103 WeakPolarHBondContact O-CG2 3.32Å; L100-V103 PolarHBondContact O-N 3.19Å; L100-V103 VanDerWaalsContact O-N 3.1Å; V103-N105 VanDerWaalsContact C-N 3.27Å; V103-N105 PolarHBondContact O-N 2.78Å; V103-F106 HydrophobicContact CG1-CB 3.75Å; V103-F106 HydrophobicContact CG1-CD2 3.97Å; V103-F106 HydrophobicContact CG1-CG 4.06Å; V103-L145 HydrophobicContact CB-CB 4.24Å; V103-L145 HydrophobicContact CG1-CB 3.57Å; V103-L145 HydrophobicContact CG1-CD1 3.86Å; V103-L145 HydrophobicContact CG1-CG 4.33Å; V103-I149 HydrophobicContact CG2-CB 3.91Å; V103-I149 HydrophobicContact CG2-CD1 3.59Å; V103-I149 HydrophobicContact CG2-CG1 3.79Å; V103-I149 HydrophobicContact CG2-CG2 3.94Å | ||
| 104 | R | 86.6 | Confident | 92.3 | Very high | 133 Ų | 133 | 25.7 Ų | 25.7 | 50% | 0.502 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -29.1 | -177.2 | -62.9 | 179 | -169.2 | -171.6 | 1.4 | 113.4 | D99 D102 | D99-R104 PolarHBondContact O-N 3.12Å; D102-R104 HydrophobicContact CB-CG 3.74Å; D102-R104 PolarHBondContact O-N 2.97Å; D102-R104 IonicContact OD2-CZ 2.69Å; D102-R104 VanDerWaalsContact OD2-CZ 3.32Å; D102-R104 IonicContact OD2-NE 2.91Å; D102-R104 PolarHBondContact OD2-NE 3.4Å; D102-R104 VanDerWaalsContact OD2-NE 3.09Å; D102-R104 IonicContact OD2-NH2 2.71Å; D102-R104 PolarHBondContact OD2-NH2 3.26Å |
| 105 | N | 88.3 | Confident | 92.2 | Very high | 73 Ų | 73 | 28.6 Ų | 28.6 | 39% | 0.39 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -153.4 | 73.5 | 179.3 | -169 | -22.9 | 0 | 0 | 0 | 110.2 | D99 V103 G107 K108 V109 | D99-N105 HydrophobicContact CB-CB 4.11Å; D99-N105 CarbonylContact O-C 3.55Å; D99-N105 PolarHBondContact O-N 3.29Å; V103-N105 VanDerWaalsContact C-N 3.27Å; V103-N105 PolarHBondContact O-N 2.78Å; N105-G107 VanDerWaalsContact C-N 3.26Å; N105-G107 PolarHBondContact O-N 2.98Å; N105-K108 HydrophobicContact CB-CB 4.35Å; N105-K108 PolarHBondContact O-N 3.35Å; N105-K108 WeakPolarHBondContact OD1-CB 3.33Å; N105-K108 PolarHBondContact OD1-N 3.33Å; N105-V109 PolarHBondContact O-N 3.06Å |
| 106 | F | 91.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.3 | -28.6 | -179.4 | -160.3 | -112.9 | 0 | 0 | 0 | 112.8 | V31 L34 A35 L100 V103 K108 V109 M110 Y142 L145 | V31-F106 HydrophobicContact CG2-CD1 3.85Å; V31-F106 HydrophobicContact CG2-CE1 3.82Å; L34-F106 HydrophobicContact CD2-CE1 4.42Å; L34-F106 HydrophobicContact CD2-CZ 4.45Å; L34-F106 HydrophobicContact CG-CZ 4.22Å; A35-F106 VanDerWaalsContact CA-CE2 3.48Å; A35-F106 VanDerWaalsContact CA-CZ 3.49Å; A35-F106 HydrophobicContact CB-CD1 4.38Å; A35-F106 HydrophobicContact CB-CD2 3.84Å; A35-F106 HydrophobicContact CB-CE1 4.13Å; A35-F106 HydrophobicContact CB-CE2 3.56Å; A35-F106 HydrophobicContact CB-CG 4.25Å; A35-F106 HydrophobicContact CB-CZ 3.72Å; L100-F106 HydrophobicContact CD1-CD2 4.25Å; L100-F106 HydrophobicContact CD1-CE2 3.84Å; V103-F106 HydrophobicContact CG1-CB 3.75Å; V103-F106 HydrophobicContact CG1-CD2 3.97Å; V103-F106 HydrophobicContact CG1-CG 4.06Å; F106-K108 VanDerWaalsContact C-N 3.29Å; F106-K108 PolarHBondContact O-N 3.18Å; F106-V109 HydrophobicContact CD2-CB 4.14Å; F106-V109 HydrophobicContact CD2-CG1 4.5Å; F106-V109 HydrophobicContact CD2-CG2 4.2Å; F106-V109 HydrophobicContact CE2-CB 4.34Å; F106-V109 HydrophobicContact CE2-CG1 4.22Å; F106-V109 WeakPolarHBondContact O-CA 3.44Å; F106-V109 VanDerWaalsContact O-CB 3.32Å; F106-V109 WeakPolarHBondContact O-CB 3.32Å; F106-V109 PolarHBondContact O-N 2.89Å; F106-M110 HydrophobicContact CD1-CG 3.97Å; F106-M110 HydrophobicContact CD1-SD 4.39Å; F106-M110 HydrophobicContact CE1-CG 3.92Å; F106-M110 HydrophobicContact CE1-SD 3.73Å; F106-M110 HydrophobicContact CZ-SD 4.19Å; F106-M110 WeakPolarHBondContact O-CG 3.39Å; F106-M110 PolarHBondContact O-N 3.26Å; F106-Y142 HydrophobicContact CB-CD1 4.11Å; F106-Y142 HydrophobicContact CD1-CD1 4.03Å; F106-Y142 HydrophobicContact CD1-CE1 4.01Å; F106-L145 HydrophobicContact CB-CD1 3.88Å; F106-L145 HydrophobicContact CD1-CD1 4.15Å; F106-L145 HydrophobicContact CG-CD1 4.16Å |
| 107 | G | 90.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 7% | 0.072 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.1 | -42.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N105 V109 M110 D111 | N105-G107 VanDerWaalsContact C-N 3.26Å; N105-G107 PolarHBondContact O-N 2.98Å; G107-V109 VanDerWaalsContact C-N 3.34Å; G107-V109 PolarHBondContact O-N 3.28Å; G107-M110 WeakPolarHBondContact O-CB 3.37Å; G107-M110 PolarHBondContact O-N 3.39Å; G107-D111 PolarHBondContact O-N 2.62Å |
| 108 | K | 92.4 | Very high | 92.5 | Very high | 61 Ų | 61 | 27 Ų | 27 | 27% | 0.265 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -67.3 | -32.3 | 175.7 | -168.4 | 174.7 | 167 | -144.8 | 0 | 112.9 | L94 F95 D96 D99 N105 F106 T112 | L94-K108 WeakPolarHBondContact O-CE 3.48Å; F95-K108 HydrophobicContact CB-CB 4.43Å; F95-K108 HydrophobicContact CB-CD 4.4Å; F95-K108 HydrophobicContact CB-CG 3.99Å; D96-K108 IonicContact OD2-NZ 2.99Å; D96-K108 PolarHBondContact OD2-NZ 3.39Å; D99-K108 WeakPolarHBondContact OD2-CD 3.42Å; D99-K108 IonicContact OD2-NZ 2.62Å; D99-K108 PolarHBondContact OD2-NZ 2.78Å; N105-K108 HydrophobicContact CB-CB 4.35Å; N105-K108 PolarHBondContact O-N 3.35Å; N105-K108 WeakPolarHBondContact OD1-CB 3.33Å; N105-K108 PolarHBondContact OD1-N 3.33Å; F106-K108 VanDerWaalsContact C-N 3.29Å; F106-K108 PolarHBondContact O-N 3.18Å; K108-T112 PolarHBondContact O-N 3.03Å; K108-T112 PolarHBondContact O-OG1 3.18Å |
| 109 | V | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.3 | -48.2 | 171.4 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | F95 D99 L100 N105 F106 G107 D111 T112 L113 | F95-V109 HydrophobicContact CB-CG2 4.19Å; F95-V109 HydrophobicContact CD1-CB 4.21Å; F95-V109 HydrophobicContact CD1-CG1 4.17Å; F95-V109 HydrophobicContact CD1-CG2 4.08Å; F95-V109 HydrophobicContact CD2-CG2 3.92Å; F95-V109 HydrophobicContact CE1-CB 4.45Å; F95-V109 HydrophobicContact CE1-CG1 3.92Å; F95-V109 HydrophobicContact CE1-CG2 4.42Å; F95-V109 HydrophobicContact CE2-CG2 4.3Å; F95-V109 HydrophobicContact CG-CB 4.42Å; F95-V109 HydrophobicContact CG-CG2 3.83Å; F95-V109 HydrophobicContact CZ-CG1 4.29Å; D99-V109 HydrophobicContact CB-CG2 4.31Å; L100-V109 HydrophobicContact CB-CG2 3.84Å; L100-V109 HydrophobicContact CD1-CG1 4.29Å; L100-V109 HydrophobicContact CD1-CG2 4.45Å; N105-V109 PolarHBondContact O-N 3.06Å; F106-V109 HydrophobicContact CD2-CB 4.14Å; F106-V109 HydrophobicContact CD2-CG1 4.5Å; F106-V109 HydrophobicContact CD2-CG2 4.2Å; F106-V109 HydrophobicContact CE2-CB 4.34Å; F106-V109 HydrophobicContact CE2-CG1 4.22Å; F106-V109 WeakPolarHBondContact O-CA 3.44Å; F106-V109 VanDerWaalsContact O-CB 3.32Å; F106-V109 WeakPolarHBondContact O-CB 3.32Å; F106-V109 PolarHBondContact O-N 2.89Å; G107-V109 VanDerWaalsContact C-N 3.34Å; G107-V109 PolarHBondContact O-N 3.28Å; V109-D111 PolarHBondContact O-N 3.49Å; V109-T112 WeakPolarHBondContact O-CB 3.46Å; V109-T112 PolarHBondContact O-N 3.43Å; V109-T112 VanDerWaalsContact O-N 3.14Å; V109-L113 HydrophobicContact CG1-CD1 4.42Å; V109-L113 PolarHBondContact O-N 2.66Å |
| 110 | M | 93.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.4 | -44.2 | 177.7 | -68.4 | -60.4 | -53.7 | 0 | 0 | 112.4 | Y4 W5 C8 L34 F106 G107 T112 L113 S114 F130 | Y4-M110 HydrophobicContact CD1-CB 4.26Å; Y4-M110 HydrophobicContact CD1-CE 4.14Å; Y4-M110 HydrophobicContact CE1-CB 3.74Å; Y4-M110 HydrophobicContact CE1-CE 4.26Å; W5-M110 HydrophobicContact CB-CE 4.16Å; C8-M110 HydrophobicContact CB-CE 3.32Å; C8-M110 HydrophobicContact CB-SD 4.28Å; L34-M110 HydrophobicContact CD2-SD 4.03Å; F106-M110 HydrophobicContact CD1-CG 3.97Å; F106-M110 HydrophobicContact CD1-SD 4.39Å; F106-M110 HydrophobicContact CE1-CG 3.92Å; F106-M110 HydrophobicContact CE1-SD 3.73Å; F106-M110 HydrophobicContact CZ-SD 4.19Å; F106-M110 WeakPolarHBondContact O-CG 3.39Å; F106-M110 PolarHBondContact O-N 3.26Å; G107-M110 WeakPolarHBondContact O-CB 3.37Å; G107-M110 PolarHBondContact O-N 3.39Å; M110-T112 VanDerWaalsContact C-N 3.32Å; M110-T112 PolarHBondContact O-N 2.95Å; M110-L113 PolarHBondContact O-N 3.34Å; M110-S114 WeakPolarHBondContact O-CB 3.44Å; M110-S114 PolarHBondContact O-N 2.89Å; M110-F130 HydrophobicContact CE-CE2 4.24Å |
| 111 | D | 92.7 | Very high | 92.9 | Very high | 45 Ų | 45 | 31.3 Ų | 31.3 | 24% | 0.241 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.2 | -37 | 175 | -87.5 | -18 | 0 | 0 | 0 | 112.9 | Y4 G107 V109 S114 K115 R135 | Y4-D111 PolarHBondContact OH-OD1 2.86Å; G107-D111 PolarHBondContact O-N 2.62Å; V109-D111 PolarHBondContact O-N 3.49Å; D111-S114 PolarHBondContact O-N 3.31Å; D111-K115 VanDerWaalsContact O-CG 3.31Å; D111-K115 WeakPolarHBondContact O-CG 3.29Å; D111-K115 PolarHBondContact O-N 3.17Å; D111-R135 IonicContact OD1-CZ 3.38Å; D111-R135 IonicContact OD1-NH1 3.87Å; D111-R135 IonicContact OD1-NH2 2.81Å; D111-R135 PolarHBondContact OD1-NH2 3.36Å |
| 112 | T | 96.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.3 | -46.8 | 175.8 | -56.9 | 0 | 0 | 0 | 0 | 110.5 | M89 E93 L94 F95 K108 V109 M110 S114 K115 L116 | M89-T112 HydrophobicContact CE-CG2 3.92Å; M89-T112 WeakPolarHBondContact CE-O 3.5Å; E93-T112 PolarHBondContact O-OG1 3.41Å; L94-T112 HydrophobicContact CD2-CG2 3.88Å; F95-T112 HydrophobicContact CD1-CG2 3.87Å; F95-T112 WeakPolarHBondContact CD1-OG1 3.39Å; F95-T112 HydrophobicContact CE1-CG2 4.22Å; F95-T112 PolarHBondContact N-OG1 3.47Å; K108-T112 PolarHBondContact O-N 3.03Å; K108-T112 PolarHBondContact O-OG1 3.18Å; V109-T112 WeakPolarHBondContact O-CB 3.46Å; V109-T112 PolarHBondContact O-N 3.43Å; V109-T112 VanDerWaalsContact O-N 3.14Å; M110-T112 VanDerWaalsContact C-N 3.32Å; M110-T112 PolarHBondContact O-N 2.95Å; T112-S114 VanDerWaalsContact C-N 3.33Å; T112-S114 PolarHBondContact O-N 3.04Å; T112-K115 PolarHBondContact O-N 3.29Å; T112-L116 WeakPolarHBondContact O-CB 3.47Å; T112-L116 PolarHBondContact O-N 2.89Å |
| 113 | L | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.9 | -37.3 | 177.6 | -66.2 | 177.2 | 0 | 0 | 0 | 112.2 | L38 L44 L47 F79 V109 M110 L116 S117 F130 | L38-L113 HydrophobicContact CD1-CD1 3.96Å; L44-L113 HydrophobicContact CD2-CD1 4.41Å; L44-L113 HydrophobicContact CD2-CD2 3.81Å; L47-L113 HydrophobicContact CD2-CD2 4.07Å; F79-L113 HydrophobicContact CZ-CD2 4.06Å; V109-L113 HydrophobicContact CG1-CD1 4.42Å; V109-L113 PolarHBondContact O-N 2.66Å; M110-L113 PolarHBondContact O-N 3.34Å; L113-L116 HydrophobicContact CD2-CD2 4.4Å; L113-L116 WeakPolarHBondContact O-CB 3.48Å; L113-L116 PolarHBondContact O-N 3.43Å; L113-S117 PolarHBondContact O-N 2.64Å; L113-F130 HydrophobicContact CB-CE1 4.27Å; L113-F130 HydrophobicContact CB-CZ 3.79Å; L113-F130 WeakPolarHBondContact O-CE1 3.45Å |
| 114 | S | 95.1 | Very high | 93.6 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62 | -48.2 | 174 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | Y4 M110 D111 T112 L116 S117 H118 F130 P131 | Y4-S114 WeakPolarHBondContact OH-CB 3.27Å; M110-S114 WeakPolarHBondContact O-CB 3.44Å; M110-S114 PolarHBondContact O-N 2.89Å; D111-S114 PolarHBondContact O-N 3.31Å; T112-S114 VanDerWaalsContact C-N 3.33Å; T112-S114 PolarHBondContact O-N 3.04Å; S114-L116 VanDerWaalsContact C-N 3.33Å; S114-L116 PolarHBondContact O-N 3.04Å; S114-S117 WeakPolarHBondContact O-CB 3.33Å; S114-S117 PolarHBondContact O-N 3.31Å; S114-S117 VanDerWaalsContact O-N 3.14Å; S114-S117 PolarHBondContact O-OG 3.15Å; S114-H118 PolarHBondContact O-N 3.3Å; S114-H118 PolarHBondContact O-ND1 3.01Å; S114-F130 VanDerWaalsContact CA-CZ 3.47Å; S114-F130 VanDerWaalsContact N-CZ 3.27Å; S114-F130 PolarHBondContact OG-O 3.3Å; S114-P131 WeakPolarHBondContact OG-CD 3.36Å |
| 115 | K | 96.1 | Very high | 93.7 | Very high | 81 Ų | 81 | 38.2 Ų | 38.2 | 35% | 0.352 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 176.2 | -71.4 | 171 | -170.7 | 154.2 | 0 | 112.1 | M89 E93 D111 T112 S117 H118 T119 | M89-K115 HydrophobicContact CE-CB 3.84Å; E93-K115 HydrophobicContact CB-CD 3.62Å; E93-K115 HydrophobicContact CG-CD 3.75Å; D111-K115 VanDerWaalsContact O-CG 3.31Å; D111-K115 WeakPolarHBondContact O-CG 3.29Å; D111-K115 PolarHBondContact O-N 3.17Å; T112-K115 PolarHBondContact O-N 3.29Å; K115-S117 VanDerWaalsContact C-N 3.3Å; K115-S117 PolarHBondContact O-N 2.73Å; K115-H118 PolarHBondContact O-N 2.98Å; K115-H118 VanDerWaalsContact O-N 3.08Å; K115-T119 PolarHBondContact O-N 3.4Å |
| 116 | L | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.6 | -43.8 | 174.1 | 179.3 | 63.6 | 0 | 0 | 0 | 111.3 | W11 L47 L48 L51 F79 F87 M89 T112 L113 S114 H118 T119 A122 | W11-L116 HydrophobicContact CH2-CD2 4.15Å; W11-L116 HydrophobicContact CH2-CG 4.26Å; L47-L116 HydrophobicContact CD2-CD2 3.85Å; L47-L116 HydrophobicContact CG-CD2 4.48Å; L48-L116 HydrophobicContact CD2-CD1 3.97Å; L48-L116 HydrophobicContact CD2-CD2 3.62Å; L48-L116 HydrophobicContact CD2-CG 4.42Å; L51-L116 HydrophobicContact CD1-CD2 4.33Å; L51-L116 HydrophobicContact CD1-CG 4.26Å; F79-L116 HydrophobicContact CE2-CD2 4.15Å; F79-L116 HydrophobicContact CZ-CD2 4.27Å; F87-L116 HydrophobicContact CB-CD1 4.17Å; F87-L116 HydrophobicContact CD1-CD1 3.57Å; F87-L116 HydrophobicContact CD2-CD1 4.46Å; F87-L116 HydrophobicContact CE1-CD1 4.03Å; F87-L116 HydrophobicContact CG-CD1 3.82Å; M89-L116 HydrophobicContact CE-CB 4.33Å; M89-L116 HydrophobicContact SD-CB 4Å; M89-L116 HydrophobicContact SD-CD1 3.89Å; T112-L116 WeakPolarHBondContact O-CB 3.47Å; T112-L116 PolarHBondContact O-N 2.89Å; L113-L116 HydrophobicContact CD2-CD2 4.4Å; L113-L116 WeakPolarHBondContact O-CB 3.48Å; L113-L116 PolarHBondContact O-N 3.43Å; S114-L116 VanDerWaalsContact C-N 3.33Å; S114-L116 PolarHBondContact O-N 3.04Å; L116-H118 PolarHBondContact O-N 2.85Å; L116-T119 HydrophobicContact CD1-CG2 4.36Å; L116-T119 WeakPolarHBondContact O-CB 3.4Å; L116-T119 WeakPolarHBondContact O-CG2 3.28Å; L116-T119 PolarHBondContact O-N 2.95Å; L116-T119 PolarHBondContact O-OG1 3.45Å; L116-A122 WeakPolarHBondContact O-CB 3.16Å |
| 117 | S | 96.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -22.9 | 177.5 | 82.1 | 0 | 0 | 0 | 0 | 113.9 | W11 L113 S114 K115 H129 F130 | W11-S117 VanDerWaalsContact CE2-CB 3.43Å; W11-S117 VanDerWaalsContact CZ2-CB 3.47Å; L113-S117 PolarHBondContact O-N 2.64Å; S114-S117 WeakPolarHBondContact O-CB 3.33Å; S114-S117 PolarHBondContact O-N 3.31Å; S114-S117 VanDerWaalsContact O-N 3.14Å; S114-S117 PolarHBondContact O-OG 3.15Å; K115-S117 VanDerWaalsContact C-N 3.3Å; K115-S117 PolarHBondContact O-N 2.73Å; S117-H129 WeakPolarHBondContact O-CB 3.42Å; S117-F130 PolarHBondContact OG-N 2.74Å; S117-F130 PolarHBondContact OG-O 3.49Å |
| 118 | H | 94.8 | Very high | 93.8 | Very high | 78 Ų | 78 | 48.1 Ų | 48.1 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -3.4 | 176.6 | -70.2 | 85.7 | 0 | 0 | 0 | 113.8 | S114 K115 L116 H129 F130 | S114-H118 PolarHBondContact O-N 3.3Å; S114-H118 PolarHBondContact O-ND1 3.01Å; K115-H118 PolarHBondContact O-N 2.98Å; K115-H118 VanDerWaalsContact O-N 3.08Å; L116-H118 PolarHBondContact O-N 2.85Å; H118-H129 AromaticContact CD2-CG 3.87Å; H118-H129 AromaticContact CD2-ND1 3.86Å; H118-H129 AromaticContact CE1-ND1 3.78Å; H118-H129 AromaticContact NE2-CE1 3.73Å; H118-H129 AromaticContact NE2-CG 3.66Å; H118-H129 AromaticContact NE2-ND1 3.21Å; H118-H129 PolarHBondContact NE2-ND1 2.87Å; H118-F130 PolarHBondContact CE1-O 3.33Å |
| 119 | T | 96.1 | Very high | 93.7 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -63.8 | 148.8 | 176.5 | 62.2 | 0 | 0 | 0 | 0 | 110.5 | F87 M89 K115 L116 I121 A122 Q123 | F87-T119 HydrophobicContact CB-CG2 4.4Å; M89-T119 HydrophobicContact CG-CG2 4.26Å; K115-T119 PolarHBondContact O-N 3.4Å; L116-T119 HydrophobicContact CD1-CG2 4.36Å; L116-T119 WeakPolarHBondContact O-CB 3.4Å; L116-T119 WeakPolarHBondContact O-CG2 3.28Å; L116-T119 PolarHBondContact O-N 2.95Å; L116-T119 PolarHBondContact O-OG1 3.45Å; T119-I121 PolarHBondContact O-N 2.96Å; T119-A122 PolarHBondContact O-N 2.64Å; T119-A122 VanDerWaalsContact O-N 3.13Å; T119-A122 WeakPolarHBondContact OG1-CB 3.36Å; T119-A122 PolarHBondContact OG1-N 3.29Å; T119-Q123 WeakPolarHBondContact O-CG 3.29Å; T119-Q123 PolarHBondContact O-N 2.7Å |
| 120 | S | 93.9 | Very high | 93.6 | Very high | 79 Ų | 79 | 48.5 Ų | 48.5 | 55% | 0.552 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -57.8 | -34.4 | 178.6 | 57.7 | 0 | 0 | 0 | 0 | 112.2 | Q123 Q124 | S120-Q123 PolarHBondContact O-N 3.31Å; S120-Q124 WeakPolarHBondContact O-CG 3.41Å; S120-Q124 PolarHBondContact O-N 3.2Å; S120-Q124 VanDerWaalsContact O-N 3.09Å |
| 121 | I | 94.1 | Very high | 93.3 | Very high | 36 Ų | 36 | 49.7 Ų | 49.7 | 19% | 0.185 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -48.3 | 177.8 | -57.6 | 178.9 | 0 | 0 | 0 | 110.3 | K52 S86 F87 T119 Q123 Q124 | K52-I121 HydrophobicContact CB-CG2 4.04Å; K52-I121 HydrophobicContact CD-CD1 4.33Å; S86-I121 WeakPolarHBondContact O-CD1 2.93Å; F87-I121 HydrophobicContact CD1-CB 3.99Å; F87-I121 HydrophobicContact CD1-CD1 4.04Å; F87-I121 HydrophobicContact CD1-CG2 4.21Å; F87-I121 HydrophobicContact CE1-CB 3.93Å; F87-I121 HydrophobicContact CE1-CD1 4.4Å; F87-I121 HydrophobicContact CE1-CG2 3.66Å; F87-I121 HydrophobicContact CG-CD1 4.34Å; F87-I121 HydrophobicContact CZ-CG2 4.29Å; T119-I121 PolarHBondContact O-N 2.96Å; I121-Q123 VanDerWaalsContact C-N 3.34Å; I121-Q123 PolarHBondContact O-N 2.59Å; I121-Q124 PolarHBondContact O-N 3.29Å |
| 122 | A | 93 | Very high | 92.5 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L51 L116 T119 Q124 T125 | L51-A122 HydrophobicContact CD1-CB 4.27Å; L51-A122 HydrophobicContact CD2-CB 4.19Å; L116-A122 WeakPolarHBondContact O-CB 3.16Å; T119-A122 PolarHBondContact O-N 2.64Å; T119-A122 VanDerWaalsContact O-N 3.13Å; T119-A122 WeakPolarHBondContact OG1-CB 3.36Å; T119-A122 PolarHBondContact OG1-N 3.29Å; A122-Q124 VanDerWaalsContact C-N 3.31Å; A122-Q124 PolarHBondContact O-N 3.16Å; A122-T125 WeakPolarHBondContact O-CB 3.46Å; A122-T125 PolarHBondContact O-N 3.16Å; A122-T125 PolarHBondContact O-OG1 3.38Å |
| 123 | Q | 91.8 | Very high | 91.3 | Very high | 96 Ų | 96 | 56.2 Ų | 56.2 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.9 | -30.9 | 179.1 | -69.8 | -179.5 | -23.5 | 0 | 0 | 113.4 | T119 S120 I121 T125 G126 | T119-Q123 WeakPolarHBondContact O-CG 3.29Å; T119-Q123 PolarHBondContact O-N 2.7Å; S120-Q123 PolarHBondContact O-N 3.31Å; I121-Q123 VanDerWaalsContact C-N 3.34Å; I121-Q123 PolarHBondContact O-N 2.59Å; Q123-T125 PolarHBondContact O-N 3.11Å; Q123-G126 PolarHBondContact O-N 3.15Å |
| 124 | Q | 92.1 | Very high | 89.4 | Confident | 159 Ų | 159 | 65 Ų | 65 | 74% | 0.743 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.2 | -20 | 177.1 | -77.6 | 168 | 11.3 | 0 | 0 | 113.5 | S120 I121 A122 G126 | S120-Q124 WeakPolarHBondContact O-CG 3.41Å; S120-Q124 PolarHBondContact O-N 3.2Å; S120-Q124 VanDerWaalsContact O-N 3.09Å; I121-Q124 PolarHBondContact O-N 3.29Å; A122-Q124 VanDerWaalsContact C-N 3.31Å; A122-Q124 PolarHBondContact O-N 3.16Å; Q124-G126 PolarHBondContact O-N 3.47Å |
| 125 | T | 89.6 | Confident | 87.8 | Confident | 56 Ų | 56 | 70 Ų | 70 | 34% | 0.344 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -11.8 | 175.8 | 69.6 | 0 | 0 | 0 | 0 | 113.1 | L51 A122 Q123 I127 | L51-T125 HydrophobicContact CD2-CG2 4.18Å; A122-T125 WeakPolarHBondContact O-CB 3.46Å; A122-T125 PolarHBondContact O-N 3.16Å; A122-T125 PolarHBondContact O-OG1 3.38Å; Q123-T125 PolarHBondContact O-N 3.11Å; T125-I127 PolarHBondContact O-N 3.45Å; T125-I127 WeakPolarHBondContact OG1-CB 3.4Å; T125-I127 WeakPolarHBondContact OG1-CD1 3.22Å; T125-I127 VanDerWaalsContact OG1-CG1 3.29Å; T125-I127 WeakPolarHBondContact OG1-CG1 3.38Å; T125-I127 PolarHBondContact OG1-N 3.32Å |
| 126 | G | 90.8 | Very high | 86 | Confident | 72 Ų | 72 | 70.1 Ų | 70.1 | 74% | 0.742 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 2.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q123 Q124 | Q123-G126 PolarHBondContact O-N 3.15Å; Q124-G126 PolarHBondContact O-N 3.47Å |
| 127 | I | 91.6 | Very high | 83.9 | Confident | 39 Ų | 39 | 76.9 Ų | 76.9 | 20% | 0.2 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 129.5 | 176.7 | -58.5 | 169.4 | 0 | 0 | 0 | 109.5 | N14 C15 L51 T125 H129 | N14-I127 HydrophobicContact CB-CG2 3.93Å; C15-I127 HydrophobicContact CB-CD1 4.34Å; L51-I127 HydrophobicContact CD2-CD1 4.42Å; T125-I127 PolarHBondContact O-N 3.45Å; T125-I127 WeakPolarHBondContact OG1-CB 3.4Å; T125-I127 WeakPolarHBondContact OG1-CD1 3.22Å; T125-I127 VanDerWaalsContact OG1-CG1 3.29Å; T125-I127 WeakPolarHBondContact OG1-CG1 3.38Å; T125-I127 PolarHBondContact OG1-N 3.32Å; I127-H129 PolarHBondContact O-N 3.39Å |
| 128 | R | 89.9 | Confident | 82.3 | Confident | 179 Ų | 179 | 80.5 Ų | 80.5 | 68% | 0.675 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 128.8 | 179 | -168.7 | 175.5 | -176 | -170.4 | -4.3 | 110.8 | T132 | R128-T132 HydrophobicContact CG-CG2 4.08Å; R128-T132 VanDerWaalsContact NE-CG2 3.29Å |
| 129 | H | 90.6 | Very high | 80.8 | Confident | 65 Ų | 65 | 81.8 Ų | 81.8 | 30% | 0.301 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 165.2 | 177.3 | 60.8 | 74.3 | 0 | 0 | 0 | 112.6 | S117 H118 I127 T132 | S117-H129 WeakPolarHBondContact O-CB 3.42Å; H118-H129 AromaticContact CD2-CG 3.87Å; H118-H129 AromaticContact CD2-ND1 3.86Å; H118-H129 AromaticContact CE1-ND1 3.78Å; H118-H129 AromaticContact NE2-CE1 3.73Å; H118-H129 AromaticContact NE2-CG 3.66Å; H118-H129 AromaticContact NE2-ND1 3.21Å; H118-H129 PolarHBondContact NE2-ND1 2.87Å; I127-H129 PolarHBondContact O-N 3.39Å; H129-T132 WeakPolarHBondContact O-CG2 3.43Å |
| 130 | F | 92.3 | Very high | 79.5 | Confident | 4 Ų | 4 | 86.3 Ų | 86.3 | 2% | 0.018 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -129.8 | 145.6 | 174.4 | 80.8 | -80.4 | 0 | 0 | 0 | 111.4 | Y4 Q7 C8 W11 M110 L113 S114 S117 H118 | Y4-F130 HydrophobicContact CE2-CD2 4.13Å; Y4-F130 HydrophobicContact CE2-CE2 4.19Å; Q7-F130 HydrophobicContact CB-CB 4.25Å; Q7-F130 HydrophobicContact CB-CD2 4.44Å; C8-F130 HydrophobicContact CB-CD2 4.12Å; C8-F130 HydrophobicContact CB-CE1 4.32Å; C8-F130 HydrophobicContact CB-CE2 3.55Å; C8-F130 HydrophobicContact CB-CZ 3.64Å; C8-F130 VanDerWaalsContact SG-CZ 3.56Å; W11-F130 HydrophobicContact CB-CD1 3.72Å; W11-F130 HydrophobicContact CB-CE1 4.3Å; W11-F130 HydrophobicContact CB-CG 4.35Å; W11-F130 AromaticContact CD2-CD1 3.75Å; W11-F130 HydrophobicContact CD2-CD1 3.75Å; W11-F130 AromaticContact CD2-CE1 3.76Å; W11-F130 HydrophobicContact CD2-CE1 3.76Å; W11-F130 AromaticContact CE3-CD1 3.99Å; W11-F130 HydrophobicContact CE3-CD1 3.99Å; W11-F130 AromaticContact CE3-CE1 3.5Å; W11-F130 HydrophobicContact CE3-CE1 3.5Å; W11-F130 AromaticContact CG-CD1 3.62Å; W11-F130 HydrophobicContact CG-CD1 3.62Å; W11-F130 HydrophobicContact CG-CE1 4.11Å; W11-F130 HydrophobicContact CZ3-CE1 4.08Å; M110-F130 HydrophobicContact CE-CE2 4.24Å; L113-F130 HydrophobicContact CB-CE1 4.27Å; L113-F130 HydrophobicContact CB-CZ 3.79Å; L113-F130 WeakPolarHBondContact O-CE1 3.45Å; S114-F130 VanDerWaalsContact CA-CZ 3.47Å; S114-F130 VanDerWaalsContact N-CZ 3.27Å; S114-F130 PolarHBondContact OG-O 3.3Å; S117-F130 PolarHBondContact OG-N 2.74Å; S117-F130 PolarHBondContact OG-O 3.49Å; H118-F130 PolarHBondContact CE1-O 3.33Å |
| 131 | P | 87.3 | Confident | 78.7 | Confident | 24 Ų | 24 | 85 Ų | 85 | 16% | 0.156 | 43% | 0.429 | C | S | . | . | cis | -79.9 | 159 | 3 | 33.1 | -32.2 | 0 | 0 | 0 | 112.9 | Y4 Q7 S114 R135 | Y4-P131 HydrophobicContact CD2-CB 4.13Å; Y4-P131 HydrophobicContact CD2-CG 4.46Å; Y4-P131 HydrophobicContact CE2-CB 4Å; Y4-P131 HydrophobicContact CE2-CG 3.91Å; Q7-P131 VanDerWaalsContact OE1-CA 3.24Å; S114-P131 WeakPolarHBondContact OG-CD 3.36Å; P131-R135 HydrophobicContact CG-CG 4.35Å | ||
| 132 | T | 76.6 | Confident | 78 | Confident | 60 Ų | 60 | 84.5 Ų | 84.5 | 37% | 0.368 | 43% | 0.425 | S | S | . | . | trans | -99.1 | -12.7 | 178.4 | 53 | 0 | 0 | 0 | 0 | 114.3 | R128 H129 | R128-T132 HydrophobicContact CG-CG2 4.08Å; R128-T132 VanDerWaalsContact NE-CG2 3.29Å; H129-T132 WeakPolarHBondContact O-CG2 3.43Å | ||
| 133 | E | 70.2 | Confident | 77.2 | Confident | 124 Ų | 124 | 89.4 Ų | 89.4 | 58% | 0.579 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -138.4 | 169.3 | -179.6 | -65.8 | 179.8 | -179.4 | 0 | 0 | 110 | R135 | E133-R135 PolarHBondContact O-N 3.3Š|
| 134 | E | 59 | Low | 76.6 | Confident | 183 Ų | 183 | 90.7 Ų | 90.7 | 86% | 0.855 | 46% | 0.457 | S | S | * | . | trans | -56.5 | 136.1 | 178.3 | -76.7 | -175.1 | 162.5 | 0 | 0 | 111.7 | V136 | E134-V136 PolarHBondContact O-N 3.45Š| ||
| 135 | R | 61 | Low | 76.1 | Confident | 112 Ų | 112 | 83.2 Ų | 83.2 | 42% | 0.423 | 42% | 0.422 | S | S | . | . | trans | -63.2 | 131.5 | -176.1 | -66.7 | 173.5 | 170.8 | -160.8 | -12.9 | 110.1 | Y4 D111 P131 E133 E137 | Y4-R135 PolarHBondContact OH-NH2 3.19Å; Y4-R135 VanDerWaalsContact OH-NH2 3.09Å; D111-R135 IonicContact OD1-CZ 3.38Å; D111-R135 IonicContact OD1-NH1 3.87Å; D111-R135 IonicContact OD1-NH2 2.81Å; D111-R135 PolarHBondContact OD1-NH2 3.36Å; P131-R135 HydrophobicContact CG-CG 4.35Å; E133-R135 PolarHBondContact O-N 3.3Å; R135-E137 HydrophobicContact CB-CG 4.27Å | ||
| 136 | V | 57.8 | Low | 75.6 | Confident | 83 Ų | 83 | 83.8 Ų | 83.8 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | trans | -88.5 | 98.7 | 153.4 | -175.5 | 0 | 0 | 0 | 0 | 105.3 | M1 E134 D138 | M1-V136 HydrophobicContact CB-CG2 4.38Å; M1-V136 HydrophobicContact CE-CG2 3.77Å; M1-V136 HydrophobicContact SD-CG2 3.88Å; E134-V136 PolarHBondContact O-N 3.45Å; V136-D138 PolarHBondContact O-N 3.35Å | ||
| 137 | E | 54 | Low | 75 | Confident | 142 Ų | 142 | 83.2 Ų | 83.2 | 66% | 0.664 | 40% | 0.4 | S | S | * | . | trans | -70.2 | 93.6 | 174.3 | -72.2 | -178.7 | 174.6 | 0 | 0 | 108.5 | R135 | R135-E137 HydrophobicContact CB-CG 4.27Š| ||
| 138 | D | 62.4 | Low | 74.3 | Confident | 77 Ų | 77 | 83.8 Ų | 83.8 | 41% | 0.412 | 40% | 0.404 | S | S | . | . | trans | -105 | 67 | 171.5 | -151.3 | -11 | 0 | 0 | 0 | 108.2 | V136 D140 I141 | V136-D138 PolarHBondContact O-N 3.35Å; D138-D140 PolarHBondContact O-N 2.89Å; D138-D140 VanDerWaalsContact O-N 3.14Å; D138-I141 HydrophobicContact CB-CG2 4.08Å; D138-I141 VanDerWaalsContact O-CG1 3.22Å; D138-I141 WeakPolarHBondContact O-CG1 3.45Å; D138-I141 PolarHBondContact O-N 2.72Å | ||
| 139 | E | 62.8 | Low | 73.7 | Confident | 106 Ų | 106 | 75.6 Ų | 75.6 | 50% | 0.495 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -59.6 | -21.3 | -178.3 | -72 | -69.2 | 162.7 | 0 | 0 | 112.5 | I141 Y142 | E139-I141 PolarHBondContact O-N 3.36Å; E139-Y142 PolarHBondContact O-N 2.91Å |
| 140 | D | 67.7 | Low | 72.6 | Confident | 114 Ų | 114 | 73.1 Ų | 73.1 | 61% | 0.61 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -65.9 | -23.7 | -179.8 | -74 | -25.3 | 0 | 0 | 0 | 113.1 | D138 Y142 N143 | D138-D140 PolarHBondContact O-N 2.89Å; D138-D140 VanDerWaalsContact O-N 3.14Å; D140-Y142 PolarHBondContact O-N 3.44Å; D140-N143 PolarHBondContact O-N 2.82Å; D140-N143 PolarHBondContact OD1-ND2 3.44Å |
| 141 | I | 77.1 | Confident | 71.2 | Confident | 51 Ų | 51 | 78.1 Ų | 78.1 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -69.9 | -18.3 | 179.7 | 76.9 | -172.3 | 0 | 0 | 0 | 112.9 | V31 D138 E139 | V31-I141 HydrophobicContact CB-CD1 4.5Å; V31-I141 HydrophobicContact CG1-CB 4.24Å; V31-I141 HydrophobicContact CG1-CD1 4.4Å; V31-I141 HydrophobicContact CG1-CG1 4.11Å; D138-I141 HydrophobicContact CB-CG2 4.08Å; D138-I141 VanDerWaalsContact O-CG1 3.22Å; D138-I141 WeakPolarHBondContact O-CG1 3.45Å; D138-I141 PolarHBondContact O-N 2.72Å; E139-I141 PolarHBondContact O-N 3.36Å |
| 142 | Y | 80.7 | Confident | 70 | Confident | 26 Ų | 26 | 80.7 Ų | 80.7 | 10% | 0.102 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -92.2 | -20.8 | -178.4 | -50.8 | -64.1 | 0 | 0 | 0 | 113.2 | V31 F106 E139 D140 H144 L145 | V31-Y142 HydrophobicContact CG2-CD1 4.08Å; V31-Y142 HydrophobicContact CG2-CE1 3.78Å; F106-Y142 HydrophobicContact CB-CD1 4.11Å; F106-Y142 HydrophobicContact CD1-CD1 4.03Å; F106-Y142 HydrophobicContact CD1-CE1 4.01Å; E139-Y142 PolarHBondContact O-N 2.91Å; D140-Y142 PolarHBondContact O-N 3.44Å; Y142-H144 PolarHBondContact O-N 2.97Å; Y142-H144 VanDerWaalsContact O-N 3.16Å; Y142-L145 HydrophobicContact CD1-CD1 3.97Å; Y142-L145 WeakPolarHBondContact O-CB 3.22Å; Y142-L145 PolarHBondContact O-N 2.84Å |
| 143 | N | 75.7 | Confident | 68.9 | Low | 106 Ų | 106 | 80.2 Ų | 80.2 | 57% | 0.567 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.1 | -169.3 | -73.6 | -29.6 | 0 | 0 | 0 | 114.4 | D140 | D140-N143 PolarHBondContact O-N 2.82Å; D140-N143 PolarHBondContact OD1-ND2 3.44Å |
| 144 | H | 78.5 | Confident | 68 | Low | 123 Ų | 123 | 76.2 Ų | 76.2 | 57% | 0.569 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 2.2 | -177.9 | -60.7 | -58.5 | 0 | 0 | 0 | 113.9 | Y142 E146 D147 L148 | Y142-H144 PolarHBondContact O-N 2.97Å; Y142-H144 VanDerWaalsContact O-N 3.16Å; H144-E146 PolarHBondContact O-N 3.3Å; H144-D147 PolarHBondContact O-N 2.91Å; H144-L148 WeakPolarHBondContact O-CG 3.2Å; H144-L148 PolarHBondContact O-N 3.21Å |
| 145 | L | 81.9 | Confident | 67.4 | Low | 2 Ų | 2 | 73.9 Ų | 73.9 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.8 | -35 | -174.8 | -72.1 | 178.6 | 0 | 0 | 0 | 113.5 | V31 F32 V103 F106 Y142 D147 L148 I149 | V31-L145 HydrophobicContact CG1-CD1 4.19Å; V31-L145 HydrophobicContact CG1-CD2 4.07Å; V31-L145 HydrophobicContact CG1-CG 4.47Å; V31-L145 HydrophobicContact CG2-CD1 4.34Å; F32-L145 HydrophobicContact CB-CD2 3.69Å; F32-L145 HydrophobicContact CD2-CD2 4.01Å; F32-L145 HydrophobicContact CG-CD2 4.37Å; V103-L145 HydrophobicContact CB-CB 4.24Å; V103-L145 HydrophobicContact CG1-CB 3.57Å; V103-L145 HydrophobicContact CG1-CD1 3.86Å; V103-L145 HydrophobicContact CG1-CG 4.33Å; F106-L145 HydrophobicContact CB-CD1 3.88Å; F106-L145 HydrophobicContact CD1-CD1 4.15Å; F106-L145 HydrophobicContact CG-CD1 4.16Å; Y142-L145 HydrophobicContact CD1-CD1 3.97Å; Y142-L145 WeakPolarHBondContact O-CB 3.22Å; Y142-L145 PolarHBondContact O-N 2.84Å; L145-D147 VanDerWaalsContact C-N 3.27Å; L145-D147 PolarHBondContact O-N 3.34Å; L145-L148 HydrophobicContact CD2-CD1 4.33Å; L145-L148 PolarHBondContact O-N 3.11Å; L145-I149 WeakPolarHBondContact O-CB 3.17Å; L145-I149 PolarHBondContact O-N 2.89Å |
| 146 | E | 80.6 | Confident | 66.8 | Low | 68 Ų | 68 | 72.7 Ų | 72.7 | 32% | 0.318 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.9 | -35.3 | 175.4 | -172.4 | -175.5 | 167.7 | 0 | 0 | 111.4 | H144 I149 D150 K489 | H144-E146 PolarHBondContact O-N 3.3Å; E146-I149 WeakPolarHBondContact O-CG2 3.33Å; E146-D150 PolarHBondContact O-N 2.95Å; E146-D150 VanDerWaalsContact O-OD2 3.1Å; E146-K489 IonicContact OE1-NZ 2.83Å; E146-K489 PolarHBondContact OE1-NZ 3.38Å |
| 147 | D | 77.1 | Confident | 66.7 | Low | 60 Ų | 60 | 71.1 Ų | 71.1 | 32% | 0.321 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -72.9 | -45.2 | 176.4 | -65.7 | -37.1 | 0 | 0 | 0 | 110.8 | H144 L145 I149 D150 E151 K468 | H144-D147 PolarHBondContact O-N 2.91Å; L145-D147 VanDerWaalsContact C-N 3.27Å; L145-D147 PolarHBondContact O-N 3.34Å; D147-I149 VanDerWaalsContact C-N 3.34Å; D147-I149 PolarHBondContact O-N 3.06Å; D147-D150 PolarHBondContact O-N 3.19Å; D147-E151 WeakPolarHBondContact O-CB 3.27Å; D147-E151 WeakPolarHBondContact O-CG 3.49Å; D147-E151 PolarHBondContact O-N 3.17Å; D147-K468 WeakPolarHBondContact OD1-CE 3.33Å; D147-K468 IonicContact OD1-NZ 2.73Å; D147-K468 PolarHBondContact OD1-NZ 3.33Å |
| 148 | L | 78.1 | Confident | 66.5 | Low | 51 Ų | 51 | 67.7 Ų | 67.7 | 27% | 0.267 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 179.3 | -69.5 | 170.4 | 0 | 0 | 0 | 112.7 | F32 H144 L145 D150 E151 N152 | F32-L148 HydrophobicContact CB-CD1 4.4Å; F32-L148 HydrophobicContact CD2-CB 3.55Å; F32-L148 HydrophobicContact CD2-CD1 4.38Å; F32-L148 VanDerWaalsContact CE2-C 3.45Å; F32-L148 HydrophobicContact CE2-CB 3.7Å; F32-L148 HydrophobicContact CG-CB 4.28Å; F32-L148 HydrophobicContact CG-CD1 4.48Å; H144-L148 WeakPolarHBondContact O-CG 3.2Å; H144-L148 PolarHBondContact O-N 3.21Å; L145-L148 HydrophobicContact CD2-CD1 4.33Å; L145-L148 PolarHBondContact O-N 3.11Å; L148-D150 VanDerWaalsContact C-N 3.29Å; L148-D150 PolarHBondContact O-N 2.68Å; L148-E151 PolarHBondContact O-N 2.77Å; L148-N152 VanDerWaalsContact O-CB 3.28Å; L148-N152 WeakPolarHBondContact O-CB 3.25Å; L148-N152 PolarHBondContact O-N 3.44Å |
| 149 | I | 75.8 | Confident | 66.1 | Low | 7 Ų | 7 | 70.3 Ų | 70.3 | 4% | 0.036 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -73.5 | -23.3 | 179.8 | -152.9 | 98.2 | 0 | 0 | 0 | 112.7 | F32 Q36 R39 V103 L145 E146 D147 | F32-I149 HydrophobicContact CE2-CB 4.05Å; F32-I149 HydrophobicContact CE2-CD1 3.81Å; F32-I149 HydrophobicContact CE2-CG1 4.36Å; F32-I149 HydrophobicContact CZ-CD1 4.39Å; Q36-I149 HydrophobicContact CB-CD1 4.45Å; R39-I149 VanDerWaalsContact NH1-CG1 3.3Å; V103-I149 HydrophobicContact CG2-CB 3.91Å; V103-I149 HydrophobicContact CG2-CD1 3.59Å; V103-I149 HydrophobicContact CG2-CG1 3.79Å; V103-I149 HydrophobicContact CG2-CG2 3.94Å; L145-I149 WeakPolarHBondContact O-CB 3.17Å; L145-I149 PolarHBondContact O-N 2.89Å; E146-I149 WeakPolarHBondContact O-CG2 3.33Å; D147-I149 VanDerWaalsContact C-N 3.34Å; D147-I149 PolarHBondContact O-N 3.06Å |
| 150 | D | 68 | Low | 66.1 | Low | 12 Ų | 12 | 65.8 Ų | 65.8 | 6% | 0.064 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -85.9 | -29.3 | 175.6 | -64.3 | -35.5 | 0 | 0 | 0 | 112.2 | E146 D147 L148 K468 K489 T490 | E146-D150 PolarHBondContact O-N 2.95Å; E146-D150 VanDerWaalsContact O-OD2 3.1Å; D147-D150 PolarHBondContact O-N 3.19Å; L148-D150 VanDerWaalsContact C-N 3.29Å; L148-D150 PolarHBondContact O-N 2.68Å; D150-K468 IonicContact OD2-NZ 3.77Å; D150-K489 IonicContact OD1-NZ 3.96Å; D150-K489 PolarHBondContact OD1-NZ 2.77Å; D150-K489 WeakPolarHBondContact OD2-CD 3.37Å; D150-K489 WeakPolarHBondContact OD2-CE 3.13Å; D150-K489 IonicContact OD2-NZ 3.59Å; D150-K489 PolarHBondContact OD2-NZ 3.3Å; D150-T490 HydrophobicContact CB-CG2 3.39Å; D150-T490 WeakPolarHBondContact O-CB 3.45Å; D150-T490 PolarHBondContact O-OG1 3.22Å |
| 151 | E | 63.8 | Low | 65.9 | Low | 110 Ų | 110 | 61.8 Ų | 61.8 | 51% | 0.514 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -92 | -37.2 | -177.9 | -71.4 | -176 | 177.8 | 0 | 0 | 113.6 | D147 L148 G153 E492 | D147-E151 WeakPolarHBondContact O-CB 3.27Å; D147-E151 WeakPolarHBondContact O-CG 3.49Å; D147-E151 PolarHBondContact O-N 3.17Å; L148-E151 PolarHBondContact O-N 2.77Å; E151-G153 PolarHBondContact O-N 3.09Å; E151-E492 VanDerWaalsContact O-CG 3.27Å; E151-E492 WeakPolarHBondContact O-CG 3.32Å |
| 152 | N | 61.8 | Low | 65.1 | Low | 77 Ų | 77 | 61.6 Ų | 61.6 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -87.9 | 104.9 | 176 | -66 | -32.1 | 0 | 0 | 0 | 108.4 | F32 L148 | F32-N152 HydrophobicContact CE1-CB 3.98Å; F32-N152 HydrophobicContact CZ-CB 3.67Å; L148-N152 VanDerWaalsContact O-CB 3.28Å; L148-N152 WeakPolarHBondContact O-CB 3.25Å; L148-N152 PolarHBondContact O-N 3.44Å |
| 153 | G | 53.1 | Low | 64 | Low | 51 Ų | 51 | 61.9 Ų | 61.9 | 53% | 0.526 | 33% | 0.332 | S | S | . | . | trans | -52.1 | 144.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | E151 E155 | E151-G153 PolarHBondContact O-N 3.09Å; G153-E155 PolarHBondContact O-N 3.12Å | ||
| 154 | V | 51.8 | Low | 63.1 | Low | 39 Ų | 39 | 57.5 Ų | 57.5 | 24% | 0.236 | 31% | 0.31 | C | S | . | . | trans | -64 | 107.3 | 178.2 | -173 | 0 | 0 | 0 | 0 | 107.9 | M67 D156 | M67-V154 HydrophobicContact CE-CG1 4.2Å; M67-V154 HydrophobicContact CG-CB 4.23Å; M67-V154 HydrophobicContact CG-CG1 3.98Å; M67-V154 HydrophobicContact CG-CG2 3.92Å; M67-V154 HydrophobicContact SD-CG1 4.26Å; M67-V154 HydrophobicContact SD-CG2 4.18Å; V154-D156 PolarHBondContact O-N 3.21Å | ||
| 155 | E | 46.3 | Very low | 61.7 | Low | 135 Ų | 135 | 55.3 Ų | 55.3 | 63% | 0.631 | 30% | 0.297 | S | S | * | . | trans | -65.4 | 115.1 | 162.8 | -69.3 | -171.2 | 165.2 | 0 | 0 | 106.4 | G153 E157 | G153-E155 PolarHBondContact O-N 3.12Å; E155-E157 VanDerWaalsContact C-N 3.33Å; E155-E157 PolarHBondContact O-N 2.89Å | ||
| 156 | D | 47.9 | Very low | 59.9 | Low | 86 Ų | 86 | 61 Ų | 61 | 46% | 0.46 | 32% | 0.324 | S | S | . | . | trans | -68.4 | 90.4 | -179.7 | -75.4 | -44.3 | 0 | 0 | 0 | 109.2 | V154 E158 R821 | V154-D156 PolarHBondContact O-N 3.21Å; D156-E158 PolarHBondContact O-N 2.66Å; D156-R821 WeakPolarHBondContact OD2-CG 3.36Å | ||
| 157 | E | 55.4 | Low | 58.1 | Low | 50 Ų | 50 | 64.5 Ų | 64.5 | 23% | 0.234 | 34% | 0.344 | C | S | . | . | trans | -85.1 | 83.2 | 176.2 | -66.2 | -170.8 | 162 | 0 | 0 | 109.9 | H22 R23 E155 D159 L160 | H22-E157 IonicContact NE2-OE2 3.88Å; R23-E157 WeakPolarHBondContact CD-OE1 3.33Å; R23-E157 IonicContact CZ-OE1 2.63Å; R23-E157 IonicContact CZ-OE2 2.94Å; R23-E157 IonicContact NE-OE1 3.44Å; R23-E157 PolarHBondContact NE-OE1 3Å; R23-E157 IonicContact NE-OE2 3.41Å; R23-E157 PolarHBondContact NE-OE2 3.44Å; R23-E157 VanDerWaalsContact NH1-CD 3.33Å; R23-E157 IonicContact NH1-OE1 2.79Å; R23-E157 PolarHBondContact NH1-OE1 3.09Å; R23-E157 IonicContact NH1-OE2 2.76Å; R23-E157 IonicContact NH2-OE2 2.81Å; E155-E157 VanDerWaalsContact C-N 3.33Å; E155-E157 PolarHBondContact O-N 2.89Å; E157-D159 PolarHBondContact O-N 3.37Å; E157-L160 HydrophobicContact CB-CB 4.06Å; E157-L160 WeakPolarHBondContact O-CB 3.26Å; E157-L160 PolarHBondContact O-N 3.46Å | ||
| 158 | E | 49.3 | Very low | 56.3 | Low | 71 Ų | 71 | 67.5 Ų | 67.5 | 33% | 0.332 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -59.5 | -28.1 | 173.8 | -76.4 | -171.4 | 166.5 | 0 | 0 | 112.7 | D156 L160 W853 | D156-E158 PolarHBondContact O-N 2.66Å; E158-L160 PolarHBondContact O-N 3.39Å; E158-W853 WeakPolarHBondContact OE2-CZ2 3.38Å; E158-W853 PolarHBondContact OE2-NE1 3.15Å |
| 159 | D | 54.7 | Low | 54.5 | Low | 132 Ų | 132 | 71.2 Ų | 71.2 | 71% | 0.706 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -66.1 | -16 | 174.7 | -69.2 | -20 | 0 | 0 | 0 | 112.9 | E157 Y161 A162 | E157-D159 PolarHBondContact O-N 3.37Å; D159-Y161 VanDerWaalsContact C-N 3.26Å; D159-Y161 PolarHBondContact O-N 2.68Å; D159-A162 PolarHBondContact O-N 3.5Å |
| 160 | L | 62.8 | Low | 52.9 | Low | 11 Ų | 11 | 71.7 Ų | 71.7 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -63 | -33 | -179.5 | -178.7 | 62.2 | 0 | 0 | 0 | 112.8 | L18 H22 T37 L43 E157 E158 | L18-L160 HydrophobicContact CD2-CD1 3.95Å; H22-L160 WeakPolarHBondContact NE2-CD1 3.3Å; T37-L160 HydrophobicContact CG2-CD1 3.63Å; T37-L160 HydrophobicContact CG2-CD2 4.41Å; L43-L160 HydrophobicContact CD1-CD1 3.84Å; L43-L160 HydrophobicContact CD1-CD2 4.31Å; L43-L160 HydrophobicContact CD1-CG 4.02Å; E157-L160 HydrophobicContact CB-CB 4.06Å; E157-L160 WeakPolarHBondContact O-CB 3.26Å; E157-L160 PolarHBondContact O-N 3.46Å; E158-L160 PolarHBondContact O-N 3.39Å |
| 161 | Y | 64.3 | Low | 52.2 | Low | 29 Ų | 29 | 72.9 Ų | 72.9 | 11% | 0.114 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -104.4 | 11 | -172.7 | -53.9 | -75.8 | 0 | 0 | 0 | 113.1 | D40 V42 L43 D159 C163 V164 Y165 | D40-Y161 WeakPolarHBondContact OD2-CE1 3.3Å; D40-Y161 VanDerWaalsContact OD2-CZ 3.29Å; D40-Y161 PolarHBondContact OD2-OH 3.01Å; V42-Y161 HydrophobicContact CB-CD1 4.31Å; V42-Y161 HydrophobicContact CB-CE1 3.84Å; V42-Y161 HydrophobicContact CG1-CD1 3.85Å; V42-Y161 HydrophobicContact CG1-CE1 3.9Å; V42-Y161 HydrophobicContact CG2-CE1 4.33Å; L43-Y161 HydrophobicContact CD2-CD1 4.29Å; D159-Y161 VanDerWaalsContact C-N 3.26Å; D159-Y161 PolarHBondContact O-N 2.68Å; Y161-C163 PolarHBondContact O-N 3.22Å; Y161-V164 HydrophobicContact CD1-CG2 4.48Å; Y161-V164 WeakPolarHBondContact O-CA 3.36Å; Y161-V164 WeakPolarHBondContact O-CB 3.5Å; Y161-V164 PolarHBondContact O-N 3.03Å; Y161-Y165 HydrophobicContact CD2-CE2 4.48Å; Y161-Y165 HydrophobicContact CG-CE2 4.12Å; Y161-Y165 WeakPolarHBondContact O-CD2 3.38Å; Y161-Y165 PolarHBondContact O-N 3.09Å; Y161-Y165 VanDerWaalsContact O-N 3.08Å |
| 162 | A | 60.1 | Low | 52 | Low | 47 Ų | 47 | 73.5 Ų | 73.5 | 39% | 0.388 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -51 | -43.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D159 V164 Y165 E166 | D159-A162 PolarHBondContact O-N 3.5Å; A162-V164 PolarHBondContact O-N 3.34Å; A162-Y165 PolarHBondContact O-N 3.44Å; A162-E166 PolarHBondContact O-N 3.33Å |
| 163 | C | 56.2 | Low | 52.7 | Low | 32 Ų | 32 | 71 Ų | 71 | 22% | 0.216 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.1 | -16.4 | 176.3 | -53.2 | 0 | 0 | 0 | 0 | 114.7 | Y161 | Y161-C163 PolarHBondContact O-N 3.22Å |
| 164 | V | 57.4 | Low | 53.9 | Low | 15 Ų | 15 | 68.9 Ų | 68.9 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -92.7 | -26.6 | 178 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | V42 L43 H46 L63 Y161 A162 | V42-V164 HydrophobicContact CG1-CG1 4.22Å; V42-V164 HydrophobicContact CG1-CG2 4.49Å; L43-V164 HydrophobicContact CD2-CG2 3.77Å; H46-V164 HydrophobicContact CB-CG2 4.22Å; L63-V164 HydrophobicContact CD2-CG1 3.97Å; Y161-V164 HydrophobicContact CD1-CG2 4.48Å; Y161-V164 WeakPolarHBondContact O-CA 3.36Å; Y161-V164 WeakPolarHBondContact O-CB 3.5Å; Y161-V164 PolarHBondContact O-N 3.03Å; A162-V164 PolarHBondContact O-N 3.34Å |
| 165 | Y | 49.3 | Very low | 55.3 | Low | 77 Ų | 77 | 71.1 Ų | 71.1 | 30% | 0.302 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -96.5 | -1.5 | -179.2 | -66.5 | -62 | 0 | 0 | 0 | 114.4 | L63 R64 Y161 A162 D167 | L63-Y165 HydrophobicContact CB-CE1 4.21Å; L63-Y165 HydrophobicContact CD1-CE1 4.31Å; L63-Y165 PolarHBondContact O-OH 3.14Å; R64-Y165 WeakPolarHBondContact CG-OH 3.37Å; R64-Y165 PolarHBondContact NE-OH 2.82Å; Y161-Y165 HydrophobicContact CD2-CE2 4.48Å; Y161-Y165 HydrophobicContact CG-CE2 4.12Å; Y161-Y165 WeakPolarHBondContact O-CD2 3.38Å; Y161-Y165 PolarHBondContact O-N 3.09Å; Y161-Y165 VanDerWaalsContact O-N 3.08Å; A162-Y165 PolarHBondContact O-N 3.44Å; Y165-D167 PolarHBondContact O-N 3.45Å |
| 166 | E | 43.9 | Very low | 57 | Low | 122 Ų | 122 | 67.7 Ų | 67.7 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | trans | -70 | 70.7 | 169.4 | -83.3 | 176.6 | -173.4 | 0 | 0 | 110.1 | A162 E168 | A162-E166 PolarHBondContact O-N 3.33Å; E166-E168 HydrophobicContact CB-CG 4.24Å; E166-E168 PolarHBondContact O-N 3.41Å | ||
| 167 | D | 42.2 | Very low | 58.8 | Low | 140 Ų | 140 | 64.5 Ų | 64.5 | 75% | 0.749 | 34% | 0.336 | S | S | * | . | trans | -70.6 | 65.2 | 152.7 | -81.4 | -24.8 | 0 | 0 | 0 | 107.5 | Y165 E169 G170 | Y165-D167 PolarHBondContact O-N 3.45Å; D167-E169 PolarHBondContact O-N 3.22Å; D167-G170 PolarHBondContact O-N 3.36Å | ||
| 168 | E | 39.7 | Very low | 60.2 | Low | 123 Ų | 123 | 62.7 Ų | 62.7 | 58% | 0.575 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -55.8 | -31.2 | 171.6 | -77.2 | -172 | 152 | 0 | 0 | 110.5 | E166 G170 G171 E172 | E166-E168 HydrophobicContact CB-CG 4.24Å; E166-E168 PolarHBondContact O-N 3.41Å; E168-G170 PolarHBondContact O-N 3.02Å; E168-G171 PolarHBondContact O-N 3.22Å; E168-E172 WeakPolarHBondContact O-CG 3.28Å; E168-E172 PolarHBondContact O-N 3.18Å |
| 169 | E | 40.9 | Very low | 61.6 | Low | 130 Ų | 130 | 66 Ų | 66 | 61% | 0.607 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -57.2 | -45.8 | -178.8 | -111.2 | -178.3 | -174.2 | 0 | 0 | 113 | D167 I173 R325 | D167-E169 PolarHBondContact O-N 3.22Å; E169-I173 WeakPolarHBondContact O-CD1 3.29Å; E169-I173 WeakPolarHBondContact O-CG1 3.2Å; E169-R325 IonicContact OE2-NH1 2.64Å |
| 170 | G | 42.9 | Very low | 61.9 | Low | 16 Ų | 16 | 63.8 Ų | 63.8 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.8 | -45.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D167 E168 E172 I173 Y174 Q333 | D167-G170 PolarHBondContact O-N 3.36Å; E168-G170 PolarHBondContact O-N 3.02Å; G170-E172 PolarHBondContact O-N 3.21Å; G170-I173 PolarHBondContact O-N 3.17Å; G170-Y174 PolarHBondContact O-N 3.47Å; G170-Q333 PolarHBondContact O-NE2 2.99Å; G170-Q333 PolarHBondContact O-OE1 3.09Å |
| 171 | G | 52.3 | Low | 61.4 | Low | 38 Ų | 38 | 72.2 Ų | 72.2 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E168 I173 E175 | E168-G171 PolarHBondContact O-N 3.22Å; G171-I173 PolarHBondContact O-N 3.34Å; G171-E175 WeakPolarHBondContact O-CG 3.12Å; G171-E175 PolarHBondContact O-N 2.83Å |
| 172 | E | 60.8 | Low | 60.5 | Low | 122 Ų | 122 | 75.4 Ų | 75.4 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.1 | -38.6 | 178.7 | -69.3 | -174.3 | 174.8 | 0 | 0 | 112.4 | E168 G170 Y174 E175 D176 | E168-E172 WeakPolarHBondContact O-CG 3.28Å; E168-E172 PolarHBondContact O-N 3.18Å; G170-E172 PolarHBondContact O-N 3.21Å; E172-Y174 PolarHBondContact O-N 3.1Å; E172-E175 PolarHBondContact O-N 3.27Å; E172-D176 VanDerWaalsContact O-CB 3.29Å; E172-D176 WeakPolarHBondContact O-CB 3.44Å; E172-D176 PolarHBondContact O-N 2.93Å |
| 173 | I | 74.9 | Confident | 59.7 | Low | 24 Ų | 24 | 80.3 Ų | 80.3 | 12% | 0.123 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | -178.8 | -67.3 | 160.4 | 0 | 0 | 0 | 111.7 | E169 G170 G171 D176 L177 F322 D326 V330 | E169-I173 WeakPolarHBondContact O-CD1 3.29Å; E169-I173 WeakPolarHBondContact O-CG1 3.2Å; G170-I173 PolarHBondContact O-N 3.17Å; G171-I173 PolarHBondContact O-N 3.34Å; I173-D176 PolarHBondContact O-N 3.05Å; I173-L177 VanDerWaalsContact O-CB 3.28Å; I173-L177 WeakPolarHBondContact O-CB 3.4Å; I173-L177 PolarHBondContact O-N 3.33Å; I173-F322 HydrophobicContact CG2-CD1 3.93Å; I173-F322 HydrophobicContact CG2-CE1 3.91Å; I173-D326 HydrophobicContact CD1-CB 3.86Å; I173-D326 HydrophobicContact CG2-CB 4.28Å; I173-V330 HydrophobicContact CG2-CG2 4.45Å |
| 174 | Y | 79 | Confident | 58.8 | Low | 7 Ų | 7 | 83.7 Ų | 83.7 | 3% | 0.027 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.4 | -47.7 | -179.6 | -179.9 | -86.9 | 0 | 0 | 0 | 111.3 | G170 E172 D176 L177 M178 V330 Q333 R334 K337 | G170-Y174 PolarHBondContact O-N 3.47Å; E172-Y174 PolarHBondContact O-N 3.1Å; Y174-D176 VanDerWaalsContact C-N 3.33Å; Y174-D176 PolarHBondContact O-N 3.1Å; Y174-L177 PolarHBondContact O-N 3.33Å; Y174-M178 HydrophobicContact CD1-CG 3.93Å; Y174-M178 HydrophobicContact CD2-CE 4.04Å; Y174-M178 HydrophobicContact CD2-CG 4.25Å; Y174-M178 HydrophobicContact CE1-CB 4.21Å; Y174-M178 HydrophobicContact CE1-CG 3.53Å; Y174-M178 HydrophobicContact CE2-CE 3.51Å; Y174-M178 HydrophobicContact CE2-CG 3.9Å; Y174-M178 HydrophobicContact CE2-SD 4.47Å; Y174-M178 HydrophobicContact CG-CG 4.26Å; Y174-M178 WeakPolarHBondContact O-CB 3.2Å; Y174-M178 VanDerWaalsContact O-CG 3.25Å; Y174-M178 WeakPolarHBondContact O-CG 3.41Å; Y174-M178 PolarHBondContact O-N 2.92Å; Y174-V330 HydrophobicContact CD2-CG1 4.04Å; Y174-V330 HydrophobicContact CE2-CG1 4.43Å; Y174-Q333 HydrophobicContact CD2-CB 3.71Å; Y174-Q333 HydrophobicContact CE2-CB 4.33Å; Y174-Q333 HydrophobicContact CG-CB 4.1Å; Y174-R334 HydrophobicContact CE2-CB 4.02Å; Y174-R334 VanDerWaalsContact OH-CD 3.25Å; Y174-R334 WeakPolarHBondContact OH-CD 3.4Å; Y174-R334 PolarHBondContact OH-NH1 3.36Å; Y174-K337 HydrophobicContact CE1-CD 4.25Å; Y174-K337 HydrophobicContact CE1-CG 3.74Å |
| 175 | E | 80.6 | Confident | 57.9 | Low | 86 Ų | 86 | 88.4 Ų | 88.4 | 40% | 0.402 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 179.9 | -60.9 | -58.3 | 157.4 | 0 | 0 | 110.6 | G171 E172 L177 M178 K179 K337 | G171-E175 WeakPolarHBondContact O-CG 3.12Å; G171-E175 PolarHBondContact O-N 2.83Å; E172-E175 PolarHBondContact O-N 3.27Å; E175-L177 VanDerWaalsContact C-N 3.27Å; E175-L177 PolarHBondContact O-N 3.35Å; E175-M178 PolarHBondContact O-N 3.17Å; E175-K179 WeakPolarHBondContact O-CB 3.5Å; E175-K179 WeakPolarHBondContact O-CG 3.31Å; E175-K179 PolarHBondContact O-N 2.94Å; E175-K337 IonicContact OE1-NZ 3.33Å; E175-K337 PolarHBondContact OE1-NZ 3.02Å |
| 176 | D | 83.3 | Confident | 57.4 | Low | 64 Ų | 64 | 89.3 Ų | 89.3 | 34% | 0.342 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.2 | -27.8 | 176.2 | -87.9 | 5.8 | 0 | 0 | 0 | 114.7 | E172 I173 Y174 K179 F322 | E172-D176 VanDerWaalsContact O-CB 3.29Å; E172-D176 WeakPolarHBondContact O-CB 3.44Å; E172-D176 PolarHBondContact O-N 2.93Å; I173-D176 PolarHBondContact O-N 3.05Å; Y174-D176 VanDerWaalsContact C-N 3.33Å; Y174-D176 PolarHBondContact O-N 3.1Å; D176-K179 IonicContact OD1-NZ 3.95Å; D176-K179 PolarHBondContact OD1-NZ 3.32Å; D176-F322 HydrophobicContact CB-CZ 4.21Å |
| 177 | L | 85.4 | Confident | 57.4 | Low | 18 Ų | 18 | 88.3 Ų | 88.3 | 9% | 0.094 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -80.9 | -36.7 | 176.1 | -177.3 | 67.7 | 0 | 0 | 0 | 112 | I173 Y174 E175 K210 T214 F322 V330 | I173-L177 VanDerWaalsContact O-CB 3.28Å; I173-L177 WeakPolarHBondContact O-CB 3.4Å; I173-L177 PolarHBondContact O-N 3.33Å; Y174-L177 PolarHBondContact O-N 3.33Å; E175-L177 VanDerWaalsContact C-N 3.27Å; E175-L177 PolarHBondContact O-N 3.35Å; L177-K210 WeakPolarHBondContact O-CE 3.49Å; L177-K210 WeakPolarHBondContact O-CG 3.35Å; L177-T214 HydrophobicContact CD2-CG2 3.74Å; L177-F322 HydrophobicContact CB-CE2 4.39Å; L177-F322 HydrophobicContact CB-CZ 4.32Å; L177-F322 HydrophobicContact CD1-CD2 4.26Å; L177-F322 HydrophobicContact CD1-CE2 3.83Å; L177-V330 HydrophobicContact CD2-CG1 3.93Å; L177-V330 HydrophobicContact CD2-CG2 4.01Å |
| 178 | M | 84.9 | Confident | 57.4 | Low | 13 Ų | 13 | 91.2 Ų | 91.2 | 6% | 0.064 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -89.7 | -12.3 | -176.6 | -62.2 | -56.5 | 167.4 | 0 | 0 | 113.9 | Y174 E175 T180 T207 K210 Y211 V330 | Y174-M178 HydrophobicContact CD1-CG 3.93Å; Y174-M178 HydrophobicContact CD2-CE 4.04Å; Y174-M178 HydrophobicContact CD2-CG 4.25Å; Y174-M178 HydrophobicContact CE1-CB 4.21Å; Y174-M178 HydrophobicContact CE1-CG 3.53Å; Y174-M178 HydrophobicContact CE2-CE 3.51Å; Y174-M178 HydrophobicContact CE2-CG 3.9Å; Y174-M178 HydrophobicContact CE2-SD 4.47Å; Y174-M178 HydrophobicContact CG-CG 4.26Å; Y174-M178 WeakPolarHBondContact O-CB 3.2Å; Y174-M178 VanDerWaalsContact O-CG 3.25Å; Y174-M178 WeakPolarHBondContact O-CG 3.41Å; Y174-M178 PolarHBondContact O-N 2.92Å; E175-M178 PolarHBondContact O-N 3.17Å; M178-T180 PolarHBondContact O-N 3.09Å; M178-T180 VanDerWaalsContact O-N 3.11Å; M178-T207 HydrophobicContact CB-CG2 4.32Å; M178-K210 HydrophobicContact SD-CB 4.01Å; M178-K210 HydrophobicContact SD-CG 3.99Å; M178-Y211 HydrophobicContact CE-CD2 3.93Å; M178-Y211 HydrophobicContact CE-CG 4.31Å; M178-V330 HydrophobicContact CE-CG1 4.16Å |
| 179 | K | 78.9 | Confident | 57.4 | Low | 140 Ų | 140 | 93.3 Ų | 93.3 | 61% | 0.609 | 52% | 0.518 | S | S | * | . | trans | -55.8 | 114.3 | 170.5 | -86.9 | 168.7 | -164.7 | 166.6 | 0 | 110.4 | E175 D176 | E175-K179 WeakPolarHBondContact O-CB 3.5Å; E175-K179 WeakPolarHBondContact O-CG 3.31Å; E175-K179 PolarHBondContact O-N 2.94Å; D176-K179 IonicContact OD1-NZ 3.95Å; D176-K179 PolarHBondContact OD1-NZ 3.32Å | ||
| 180 | T | 60 | Low | 57.3 | Low | 86 Ų | 86 | 96.8 Ų | 96.8 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | trans | -78 | 137.2 | 166.5 | 40.6 | 0 | 0 | 0 | 0 | 110.3 | M178 A182 Q206 | M178-T180 PolarHBondContact O-N 3.09Å; M178-T180 VanDerWaalsContact O-N 3.11Å; T180-A182 PolarHBondContact O-N 3.4Å; T180-Q206 HydrophobicContact CG2-CB 4.19Å | ||
| 181 | E | 53.5 | Low | 57.1 | Low | 188 Ų | 188 | 105 Ų | 105 | 88% | 0.879 | 57% | 0.566 | S | S | * | * | trans | -58.2 | 114.4 | 169.8 | -70.6 | -175.1 | 172.6 | 0 | 0 | 108.9 | I183 | E181-I183 PolarHBondContact O-N 3.4Š| ||
| 182 | A | 45.2 | Very low | 56.7 | Low | 95 Ų | 95 | 106.9 Ų | 106.9 | 79% | 0.785 | 58% | 0.578 | S | S | * | * | trans | -64.4 | 103.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | T180 P184 | T180-A182 PolarHBondContact O-N 3.4Å; A182-P184 WeakPolarHBondContact O-CD 3.41Å | ||
| 183 | I | 41.6 | Very low | 56 | Low | 150 Ų | 150 | 110.4 Ų | 110.4 | 77% | 0.769 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 120.4 | 168.5 | -58.8 | 174 | 0 | 0 | 0 | 105.8 | E181 | E181-I183 PolarHBondContact O-N 3.4Š|
| 184 | P | 37.3 | Very low | 55.1 | Low | 103 Ų | 103 | 115.3 Ų | 115.3 | 67% | 0.669 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 132.3 | 175.2 | -20.3 | 30.3 | 0 | 0 | 0 | 108.1 | A182 | A182-P184 WeakPolarHBondContact O-CD 3.41Š|
| 185 | P | 39.6 | Very low | 55.2 | Low | 115 Ų | 115 | 119.6 Ų | 119.6 | 75% | 0.747 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 131.3 | 175.3 | -20.4 | 29 | 0 | 0 | 0 | 108.1 | A187 | P185-A187 PolarHBondContact O-N 3.07Š|
| 186 | P | 39.7 | Very low | 55.3 | Low | 95 Ų | 95 | 119.6 Ų | 119.6 | 62% | 0.617 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 131.4 | 170.7 | 19.5 | -28.3 | 0 | 0 | 0 | 107.6 | F188 | P186-F188 PolarHBondContact O-N 3.05Š|
| 187 | A | 43.6 | Very low | 55.5 | Low | 101 Ų | 101 | 118.3 Ų | 118.3 | 84% | 0.835 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -64.1 | 20.6 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | P185 | P185-A187 PolarHBondContact O-N 3.07Š|
| 188 | F | 41.8 | Very low | 55.5 | Low | 202 Ų | 202 | 120.1 Ų | 120.1 | 89% | 0.886 | 65% | 0.649 | S | S | * | * | trans | -141.9 | 44.6 | -174 | -102 | -86 | 0 | 0 | 0 | 112.9 | P186 | P186-F188 PolarHBondContact O-N 3.05Š| ||
| 189 | Q | 39.6 | Very low | 55.5 | Low | 166 Ų | 166 | 122.5 Ų | 122.5 | 78% | 0.776 | 67% | 0.666 | S | S | * | * | trans | -136.3 | 105.9 | 161.6 | -96.6 | 166.2 | -4.9 | 0 | 0 | 109.5 | Q191 | Q189-Q191 PolarHBondContact O-N 3.24Š| ||
| 190 | K | 38.8 | Very low | 56 | Low | 204 Ų | 204 | 116.2 Ų | 116.2 | 89% | 0.887 | 64% | 0.639 | S | S | * | * | trans | -52.5 | 136.6 | 165 | -75.2 | 177.2 | 174.1 | 178.4 | 0 | 108.3 | A192 | K190-A192 PolarHBondContact O-N 2.78Š| ||
| 191 | Q | 37.6 | Very low | 57.3 | Low | 189 Ų | 189 | 113.1 Ų | 113.1 | 88% | 0.883 | 62% | 0.62 | S | S | * | * | trans | -33.2 | 98.8 | 174.3 | -103 | 94.3 | 11.3 | 0 | 0 | 112 | Q189 | Q189-Q191 PolarHBondContact O-N 3.24Š| ||
| 192 | A | 43.9 | Very low | 59 | Low | 77 Ų | 77 | 106.9 Ų | 106.9 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | trans | -74.7 | 141.3 | 149 | 0 | 0 | 0 | 0 | 0 | 105.9 | K190 I194 | K190-A192 PolarHBondContact O-N 2.78Å; A192-I194 PolarHBondContact O-N 3.48Å | ||
| 193 | E | 46.1 | Very low | 61.1 | Low | 196 Ų | 196 | 106.8 Ų | 106.8 | 92% | 0.916 | 58% | 0.578 | S | S | * | * | trans | -47.8 | 113 | 168 | -80 | 175.4 | 146 | 0 | 0 | 108 | D195 | E193-D195 PolarHBondContact O-N 2.7Å; E193-D195 VanDerWaalsContact O-N 3.09Å | ||
| 194 | I | 56.6 | Low | 63.5 | Low | 127 Ų | 127 | 99.8 Ų | 99.8 | 65% | 0.651 | 54% | 0.542 | S | S | * | . | trans | -65.6 | 114.9 | 178.3 | -64.4 | 172.7 | 0 | 0 | 0 | 105.8 | A192 I196 C199 | A192-I194 PolarHBondContact O-N 3.48Å; I194-I196 VanDerWaalsContact C-N 3.33Å; I194-I196 PolarHBondContact O-N 3.05Å; I194-C199 WeakPolarHBondContact CG2-SG 3.35Å | ||
| 195 | D | 80.2 | Confident | 66.1 | Low | 96 Ų | 96 | 96.8 Ų | 96.8 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | trans | -67.5 | 93.5 | 174.4 | 178.7 | 15 | 0 | 0 | 0 | 109.2 | E193 R197 S198 C199 | E193-D195 PolarHBondContact O-N 2.7Å; E193-D195 VanDerWaalsContact O-N 3.09Å; D195-R197 PolarHBondContact O-N 2.97Å; D195-R197 VanDerWaalsContact O-N 3.16Å; D195-R197 WeakPolarHBondContact OD1-CB 3.44Å; D195-R197 PolarHBondContact OD1-N 3.39Å; D195-S198 WeakPolarHBondContact O-CB 3.24Å; D195-S198 PolarHBondContact O-N 2.84Å; D195-S198 WeakPolarHBondContact OD2-CB 3.36Å; D195-C199 PolarHBondContact O-N 2.96Å; D195-C199 VanDerWaalsContact O-N 3.09Å | ||
| 196 | I | 83.6 | Confident | 68.5 | Low | 86 Ų | 86 | 94.9 Ų | 94.9 | 44% | 0.441 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.2 | -33.6 | -177.1 | -56.1 | 176.6 | 0 | 0 | 0 | 110.6 | I194 S198 C199 C200 H348 | I194-I196 VanDerWaalsContact C-N 3.33Å; I194-I196 PolarHBondContact O-N 3.05Å; I196-S198 PolarHBondContact O-N 3.2Å; I196-C199 WeakPolarHBondContact O-CB 3.2Å; I196-C199 PolarHBondContact O-N 2.96Å; I196-C200 PolarHBondContact O-N 3.48Å; I196-C200 PolarHBondContact O-SG 3.23Å; I196-H348 HydrophobicContact CG2-CB 4.45Å; I196-H348 VanDerWaalsContact CG2-CD2 3.46Å; I196-H348 WeakPolarHBondContact CG2-CD2 3.29Å |
| 197 | R | 86.5 | Confident | 71.1 | Confident | 37 Ų | 37 | 90.9 Ų | 90.9 | 14% | 0.14 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 175.4 | 175.5 | 177.4 | 176.5 | 61.3 | 5.4 | 111.6 | D195 C199 C200 L201 L345 H348 T349 E354 | D195-R197 PolarHBondContact O-N 2.97Å; D195-R197 VanDerWaalsContact O-N 3.16Å; D195-R197 WeakPolarHBondContact OD1-CB 3.44Å; D195-R197 PolarHBondContact OD1-N 3.39Å; R197-C199 VanDerWaalsContact C-N 3.29Å; R197-C199 PolarHBondContact O-N 3.24Å; R197-C200 PolarHBondContact O-N 3.09Å; R197-L201 HydrophobicContact CG-CD1 4.49Å; R197-L201 WeakPolarHBondContact O-CG 3.39Å; R197-L201 PolarHBondContact O-N 2.97Å; R197-L345 HydrophobicContact CG-CD1 4.07Å; R197-H348 HydrophobicContact CB-CB 4.38Å; R197-T349 PolarHBondContact NH1-OG1 2.76Å; R197-E354 IonicContact CZ-OE1 3.42Å; R197-E354 IonicContact CZ-OE2 2.67Å; R197-E354 IonicContact NE-OE2 3.29Å; R197-E354 IonicContact NH2-OE1 2.77Å; R197-E354 PolarHBondContact NH2-OE1 2.96Å; R197-E354 IonicContact NH2-OE2 2.73Å; R197-E354 PolarHBondContact NH2-OE2 2.81Å |
| 198 | S | 85.6 | Confident | 73.6 | Confident | 57 Ų | 57 | 86.1 Ų | 86.1 | 40% | 0.399 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.6 | -36.4 | 176.8 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | D195 I196 L201 T202 | D195-S198 WeakPolarHBondContact O-CB 3.24Å; D195-S198 PolarHBondContact O-N 2.84Å; D195-S198 WeakPolarHBondContact OD2-CB 3.36Å; I196-S198 PolarHBondContact O-N 3.2Å; S198-L201 PolarHBondContact O-N 3.5Å; S198-T202 WeakPolarHBondContact O-CB 3.29Å; S198-T202 PolarHBondContact O-N 3.48Å; S198-T202 PolarHBondContact O-OG1 3.48Å |
| 199 | C | 86.4 | Confident | 76.2 | Confident | 62 Ų | 62 | 78.8 Ų | 78.8 | 42% | 0.419 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 171.3 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | I194 D195 I196 R197 L201 T202 E203 | I194-C199 WeakPolarHBondContact CG2-SG 3.35Å; D195-C199 PolarHBondContact O-N 2.96Å; D195-C199 VanDerWaalsContact O-N 3.09Å; I196-C199 WeakPolarHBondContact O-CB 3.2Å; I196-C199 PolarHBondContact O-N 2.96Å; R197-C199 VanDerWaalsContact C-N 3.29Å; R197-C199 PolarHBondContact O-N 3.24Å; C199-L201 VanDerWaalsContact C-N 3.34Å; C199-L201 PolarHBondContact O-N 3.43Å; C199-T202 WeakPolarHBondContact O-CB 3.48Å; C199-T202 PolarHBondContact O-N 3.48Å; C199-E203 WeakPolarHBondContact O-CB 3.42Å; C199-E203 PolarHBondContact O-N 3.43Å |
| 200 | C | 87.8 | Confident | 78.8 | Confident | 8 Ų | 8 | 74.9 Ų | 74.9 | 5% | 0.054 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 177.2 | -64 | 0 | 0 | 0 | 0 | 112.6 | I196 R197 T202 E203 I204 L345 | I196-C200 PolarHBondContact O-N 3.48Å; I196-C200 PolarHBondContact O-SG 3.23Å; R197-C200 PolarHBondContact O-N 3.09Å; C200-T202 VanDerWaalsContact C-N 3.34Å; C200-E203 PolarHBondContact O-N 3.32Å; C200-I204 WeakPolarHBondContact O-CG1 3.25Å; C200-I204 PolarHBondContact O-N 3.47Å; C200-L345 HydrophobicContact CB-CB 4.25Å; C200-L345 HydrophobicContact CB-CD1 3.87Å |
| 201 | L | 88.8 | Confident | 81.6 | Confident | 21 Ų | 21 | 65.1 Ų | 65.1 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 176.5 | -70.4 | 170.5 | 0 | 0 | 0 | 111.8 | R197 S198 C199 I204 K205 L268 L345 | R197-L201 HydrophobicContact CG-CD1 4.49Å; R197-L201 WeakPolarHBondContact O-CG 3.39Å; R197-L201 PolarHBondContact O-N 2.97Å; S198-L201 PolarHBondContact O-N 3.5Å; C199-L201 VanDerWaalsContact C-N 3.34Å; C199-L201 PolarHBondContact O-N 3.43Å; L201-I204 PolarHBondContact O-N 3.36Å; L201-K205 PolarHBondContact O-N 3.46Å; L201-K205 VanDerWaalsContact O-N 3.15Å; L201-L268 HydrophobicContact CD2-CD2 3.6Å; L201-L345 HydrophobicContact CD2-CD1 3.89Å; L201-L345 HydrophobicContact CD2-CD2 3.87Å; L201-L345 HydrophobicContact CG-CD1 3.86Å |
| 202 | T | 87.8 | Confident | 84.5 | Confident | 57 Ų | 57 | 56.3 Ų | 56.3 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 176.9 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | S198 C199 C200 K205 Q206 | S198-T202 WeakPolarHBondContact O-CB 3.29Å; S198-T202 PolarHBondContact O-N 3.48Å; S198-T202 PolarHBondContact O-OG1 3.48Å; C199-T202 WeakPolarHBondContact O-CB 3.48Å; C199-T202 PolarHBondContact O-N 3.48Å; C200-T202 VanDerWaalsContact C-N 3.34Å; T202-K205 PolarHBondContact O-N 2.91Å; T202-Q206 HydrophobicContact CG2-CG 4.13Å; T202-Q206 WeakPolarHBondContact O-CB 3.46Å; T202-Q206 VanDerWaalsContact O-CG 3.3Å; T202-Q206 WeakPolarHBondContact O-CG 3.41Å; T202-Q206 PolarHBondContact O-N 3.5Å |
| 203 | E | 89.7 | Confident | 87 | Confident | 94 Ų | 94 | 57.6 Ų | 57.6 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 177 | -174.1 | -176.4 | 177.2 | 0 | 0 | 111.9 | C199 C200 K205 Q206 T207 L341 | C199-E203 WeakPolarHBondContact O-CB 3.42Å; C199-E203 PolarHBondContact O-N 3.43Å; C200-E203 PolarHBondContact O-N 3.32Å; E203-K205 VanDerWaalsContact C-N 3.31Å; E203-K205 PolarHBondContact O-N 3.29Å; E203-Q206 PolarHBondContact O-N 3.5Å; E203-T207 HydrophobicContact CG-CG2 4.12Å; E203-T207 WeakPolarHBondContact O-CB 3.34Å; E203-T207 VanDerWaalsContact O-CG2 3.26Å; E203-T207 WeakPolarHBondContact O-CG2 3.48Å; E203-T207 PolarHBondContact O-N 3.02Å; E203-T207 PolarHBondContact O-OG1 3.43Å; E203-L341 HydrophobicContact CG-CD2 4.05Å |
| 204 | I | 91.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.8 | -48.5 | 175.5 | -73.2 | 165.8 | 0 | 0 | 0 | 110.4 | C200 L201 T207 E208 I256 L268 F272 L341 L345 | C200-I204 WeakPolarHBondContact O-CG1 3.25Å; C200-I204 PolarHBondContact O-N 3.47Å; L201-I204 PolarHBondContact O-N 3.36Å; I204-T207 PolarHBondContact O-OG1 3.43Å; I204-E208 VanDerWaalsContact O-CB 3.27Å; I204-E208 WeakPolarHBondContact O-CB 3.33Å; I204-E208 PolarHBondContact O-N 2.88Å; I204-E208 VanDerWaalsContact O-N 3.11Å; I204-I256 HydrophobicContact CG2-CD1 4.45Å; I204-L268 HydrophobicContact CD1-CD2 4.44Å; I204-F272 HydrophobicContact CG2-CZ 4.16Å; I204-L341 HydrophobicContact CD1-CB 4.34Å; I204-L341 HydrophobicContact CG1-CB 3.85Å; I204-L341 HydrophobicContact CG1-CD1 4.38Å; I204-L341 HydrophobicContact CG1-CD2 4.46Å; I204-L341 HydrophobicContact CG1-CG 4.45Å; I204-L345 HydrophobicContact CD1-CD2 4.01Å |
| 205 | K | 91.8 | Very high | 91.3 | Very high | 41 Ų | 41 | 42.7 Ų | 42.7 | 18% | 0.178 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.8 | -54.4 | 179.7 | 178.4 | -172.4 | 163.8 | -168.8 | 0 | 111.5 | L201 T202 E203 T207 E208 E209 I256 V260 H261 | L201-K205 PolarHBondContact O-N 3.46Å; L201-K205 VanDerWaalsContact O-N 3.15Å; T202-K205 PolarHBondContact O-N 2.91Å; E203-K205 VanDerWaalsContact C-N 3.31Å; E203-K205 PolarHBondContact O-N 3.29Å; K205-T207 PolarHBondContact O-N 2.7Å; K205-E208 PolarHBondContact O-N 2.84Å; K205-E208 VanDerWaalsContact O-N 3.16Å; K205-E209 WeakPolarHBondContact CE-OE1 3.41Å; K205-E209 IonicContact NZ-OE1 2.74Å; K205-E209 WeakPolarHBondContact O-CG 3.45Å; K205-E209 PolarHBondContact O-N 2.77Å; K205-I256 HydrophobicContact CB-CG2 4.32Å; K205-V260 HydrophobicContact CD-CG1 4.42Å; K205-H261 PolarHBondContact NZ-CE1 2.92Å; K205-H261 PolarHBondContact NZ-NE2 2.86Å |
| 206 | Q | 91.8 | Very high | 92.1 | Very high | 74 Ų | 74 | 41.6 Ų | 41.6 | 35% | 0.346 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.1 | -42.7 | -175.1 | -74.6 | 175.4 | -20.7 | 0 | 0 | 112.2 | T180 T202 E203 E208 E209 K210 | T180-Q206 HydrophobicContact CG2-CB 4.19Å; T202-Q206 HydrophobicContact CG2-CG 4.13Å; T202-Q206 WeakPolarHBondContact O-CB 3.46Å; T202-Q206 VanDerWaalsContact O-CG 3.3Å; T202-Q206 WeakPolarHBondContact O-CG 3.41Å; T202-Q206 PolarHBondContact O-N 3.5Å; E203-Q206 PolarHBondContact O-N 3.5Å; Q206-E208 VanDerWaalsContact C-N 3.3Å; Q206-E208 PolarHBondContact O-N 3.13Å; Q206-E209 PolarHBondContact O-N 2.67Å; Q206-K210 WeakPolarHBondContact O-CB 3.37Å; Q206-K210 PolarHBondContact O-N 3.32Å |
| 207 | T | 93.9 | Very high | 92.7 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.2 | -28.5 | 177.7 | 62 | 0 | 0 | 0 | 0 | 111.9 | M178 E203 I204 K205 Y211 R334 | M178-T207 HydrophobicContact CB-CG2 4.32Å; E203-T207 HydrophobicContact CG-CG2 4.12Å; E203-T207 WeakPolarHBondContact O-CB 3.34Å; E203-T207 VanDerWaalsContact O-CG2 3.26Å; E203-T207 WeakPolarHBondContact O-CG2 3.48Å; E203-T207 PolarHBondContact O-N 3.02Å; E203-T207 PolarHBondContact O-OG1 3.43Å; I204-T207 PolarHBondContact O-OG1 3.43Å; K205-T207 PolarHBondContact O-N 2.7Å; T207-Y211 WeakPolarHBondContact O-CB 3.21Å; T207-Y211 PolarHBondContact O-N 3.35Å; T207-R334 VanDerWaalsContact CB-NH1 3.28Å; T207-R334 PolarHBondContact OG1-NH1 2.93Å; T207-R334 PolarHBondContact OG1-NH2 3.46Å |
| 208 | E | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.2 | -39.3 | 172.4 | -169.6 | 65.9 | -162.3 | 0 | 0 | 112.3 | I204 K205 Q206 Y211 T212 H249 L253 I256 R334 Y338 | I204-E208 VanDerWaalsContact O-CB 3.27Å; I204-E208 WeakPolarHBondContact O-CB 3.33Å; I204-E208 PolarHBondContact O-N 2.88Å; I204-E208 VanDerWaalsContact O-N 3.11Å; K205-E208 PolarHBondContact O-N 2.84Å; K205-E208 VanDerWaalsContact O-N 3.16Å; Q206-E208 VanDerWaalsContact C-N 3.3Å; Q206-E208 PolarHBondContact O-N 3.13Å; E208-Y211 PolarHBondContact O-N 2.93Å; E208-T212 WeakPolarHBondContact O-CB 3.47Å; E208-T212 PolarHBondContact O-N 2.95Å; E208-T212 PolarHBondContact O-OG1 2.85Å; E208-H249 IonicContact OE1-CE1 3.96Å; E208-H249 IonicContact OE1-CG 3.19Å; E208-H249 IonicContact OE1-ND1 3Å; E208-H249 PolarHBondContact OE1-ND1 3.04Å; E208-L253 HydrophobicContact CB-CD1 4.33Å; E208-L253 HydrophobicContact CG-CB 4.18Å; E208-L253 HydrophobicContact CG-CD1 4.18Å; E208-I256 HydrophobicContact CG-CD1 4.19Å; E208-R334 IonicContact OE2-CZ 3.53Å; E208-R334 IonicContact OE2-NE 3.55Å; E208-R334 PolarHBondContact OE2-NE 3.38Å; E208-R334 VanDerWaalsContact OE2-NE 3.16Å; E208-R334 IonicContact OE2-NH2 2.62Å; E208-R334 PolarHBondContact OE2-NH2 2.92Å; E208-Y338 PolarHBondContact OE1-OH 3.31Å; E208-Y338 WeakPolarHBondContact OE2-CE1 3.49Å; E208-Y338 PolarHBondContact OE2-OH 3.3Å |
| 209 | E | 95.5 | Very high | 93.7 | Very high | 48 Ų | 48 | 37 Ų | 37 | 22% | 0.224 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57 | -53.8 | 171.7 | -73.9 | 172.1 | 168.5 | 0 | 0 | 109.6 | K205 Q206 Y211 T212 E213 L253 Q257 | K205-E209 WeakPolarHBondContact CE-OE1 3.41Å; K205-E209 IonicContact NZ-OE1 2.74Å; K205-E209 WeakPolarHBondContact O-CG 3.45Å; K205-E209 PolarHBondContact O-N 2.77Å; Q206-E209 PolarHBondContact O-N 2.67Å; E209-Y211 VanDerWaalsContact C-N 3.32Å; E209-Y211 PolarHBondContact O-N 3.37Å; E209-T212 PolarHBondContact O-N 3.35Å; E209-E213 WeakPolarHBondContact O-CG 3.26Å; E209-E213 PolarHBondContact O-N 3.41Å; E209-L253 HydrophobicContact CB-CD1 4.33Å; E209-L253 HydrophobicContact CG-CD1 3.39Å; E209-L253 HydrophobicContact CG-CD2 4.08Å; E209-L253 HydrophobicContact CG-CG 4.34Å; E209-Q257 PolarHBondContact OE1-NE2 2.88Å |
| 210 | K | 94.8 | Very high | 94.2 | Very high | 84 Ų | 84 | 40.4 Ų | 40.4 | 37% | 0.365 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.2 | -39.7 | -179.1 | -170.4 | 59.4 | 175.5 | -179 | 0 | 112.9 | L177 M178 Q206 E213 T214 | L177-K210 WeakPolarHBondContact O-CE 3.49Å; L177-K210 WeakPolarHBondContact O-CG 3.35Å; M178-K210 HydrophobicContact SD-CB 4.01Å; M178-K210 HydrophobicContact SD-CG 3.99Å; Q206-K210 WeakPolarHBondContact O-CB 3.37Å; Q206-K210 PolarHBondContact O-N 3.32Å; K210-E213 IonicContact NZ-OE2 3.22Å; K210-T214 WeakPolarHBondContact O-CB 3.3Å; K210-T214 PolarHBondContact O-N 2.77Å; K210-T214 PolarHBondContact O-OG1 3.16Å |
| 211 | Y | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.4 | -44.8 | 176.5 | 178.1 | -115.1 | 0 | 0 | 0 | 112.2 | M178 T207 E208 E209 T214 L215 H249 Y282 V330 P331 R334 | M178-Y211 HydrophobicContact CE-CD2 3.93Å; M178-Y211 HydrophobicContact CE-CG 4.31Å; T207-Y211 WeakPolarHBondContact O-CB 3.21Å; T207-Y211 PolarHBondContact O-N 3.35Å; E208-Y211 PolarHBondContact O-N 2.93Å; E209-Y211 VanDerWaalsContact C-N 3.32Å; E209-Y211 PolarHBondContact O-N 3.37Å; Y211-T214 WeakPolarHBondContact O-CB 3.49Å; Y211-T214 PolarHBondContact O-N 3.01Å; Y211-T214 VanDerWaalsContact O-N 3.15Å; Y211-L215 HydrophobicContact CD1-CD1 4.18Å; Y211-L215 HydrophobicContact CE1-CD1 3.52Å; Y211-L215 HydrophobicContact CE1-CG 4.12Å; Y211-L215 HydrophobicContact CE2-CD1 4.31Å; Y211-L215 HydrophobicContact CE2-CD2 4.17Å; Y211-L215 HydrophobicContact CE2-CG 4.03Å; Y211-L215 PolarHBondContact O-N 3.28Å; Y211-H249 AromaticContact CD1-ND1 3.81Å; Y211-H249 HydrophobicContact CE1-CB 4.45Å; Y211-H249 AromaticContact CE1-CD2 3.73Å; Y211-H249 AromaticContact CE1-CE1 3.71Å; Y211-H249 AromaticContact CE1-CG 3.62Å; Y211-H249 AromaticContact CE1-ND1 3.58Å; Y211-H249 AromaticContact CE1-NE2 3.8Å; Y211-Y282 WeakPolarHBondContact CE1-OH 3.3Å; Y211-Y282 PolarHBondContact OH-OH 3.34Å; Y211-V330 HydrophobicContact CD2-CG1 3.96Å; Y211-V330 HydrophobicContact CE2-CG1 3.95Å; Y211-P331 HydrophobicContact CE2-CG 4.48Å; Y211-P331 WeakPolarHBondContact OH-CA 3.42Å; Y211-P331 WeakPolarHBondContact OH-CB 3.48Å; Y211-R334 HydrophobicContact CD1-CB 4.37Å; Y211-R334 HydrophobicContact CD1-CG 3.59Å; Y211-R334 HydrophobicContact CD2-CB 3.88Å; Y211-R334 HydrophobicContact CD2-CG 3.89Å; Y211-R334 HydrophobicContact CE1-CB 4.11Å; Y211-R334 HydrophobicContact CE1-CG 3.62Å; Y211-R334 HydrophobicContact CE2-CB 3.65Å; Y211-R334 HydrophobicContact CE2-CG 3.97Å; Y211-R334 HydrophobicContact CG-CB 4.23Å; Y211-R334 HydrophobicContact CG-CG 3.7Å |
| 212 | T | 97.6 | Very high | 95 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | 178 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | E208 E209 T214 L215 E216 K250 L253 | E208-T212 WeakPolarHBondContact O-CB 3.47Å; E208-T212 PolarHBondContact O-N 2.95Å; E208-T212 PolarHBondContact O-OG1 2.85Å; E209-T212 PolarHBondContact O-N 3.35Å; T212-T214 VanDerWaalsContact C-N 3.25Å; T212-T214 PolarHBondContact O-N 3.38Å; T212-L215 PolarHBondContact O-N 3.39Å; T212-E216 WeakPolarHBondContact O-CG 3.24Å; T212-E216 PolarHBondContact O-N 2.92Å; T212-K250 HydrophobicContact CG2-CG 3.82Å; T212-L253 HydrophobicContact CG2-CD2 4.16Å |
| 213 | E | 96.3 | Very high | 95.4 | Very high | 105 Ų | 105 | 40 Ų | 40 | 49% | 0.491 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.9 | -38.6 | 173.4 | -73.8 | 176 | -179.2 | 0 | 0 | 112.2 | E209 K210 E216 S217 | E209-E213 WeakPolarHBondContact O-CG 3.26Å; E209-E213 PolarHBondContact O-N 3.41Å; K210-E213 IonicContact NZ-OE2 3.22Å; E213-E216 PolarHBondContact O-N 3.34Å; E213-S217 VanDerWaalsContact O-CB 3.28Å; E213-S217 WeakPolarHBondContact O-CB 3.38Å; E213-S217 PolarHBondContact O-N 3.4Å |
| 214 | T | 95.9 | Very high | 95.6 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 6% | 0.055 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.1 | -47.5 | 177.6 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | L177 K210 Y211 T212 E216 S217 I218 L327 | L177-T214 HydrophobicContact CD2-CG2 3.74Å; K210-T214 WeakPolarHBondContact O-CB 3.3Å; K210-T214 PolarHBondContact O-N 2.77Å; K210-T214 PolarHBondContact O-OG1 3.16Å; Y211-T214 WeakPolarHBondContact O-CB 3.49Å; Y211-T214 PolarHBondContact O-N 3.01Å; Y211-T214 VanDerWaalsContact O-N 3.15Å; T212-T214 VanDerWaalsContact C-N 3.25Å; T212-T214 PolarHBondContact O-N 3.38Å; T214-E216 VanDerWaalsContact C-N 3.34Å; T214-E216 PolarHBondContact O-N 3.23Å; T214-S217 WeakPolarHBondContact O-CB 3.17Å; T214-S217 PolarHBondContact O-N 3Å; T214-S217 VanDerWaalsContact O-N 3.15Å; T214-I218 WeakPolarHBondContact O-CG1 3.2Å; T214-I218 PolarHBondContact O-N 3.44Å; T214-L327 HydrophobicContact CG2-CD2 3.9Å |
| 215 | L | 97.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 176.1 | -70.4 | 180 | 0 | 0 | 0 | 111.7 | Y211 T212 S217 I218 E219 I242 L245 V246 H249 P331 | Y211-L215 HydrophobicContact CD1-CD1 4.18Å; Y211-L215 HydrophobicContact CE1-CD1 3.52Å; Y211-L215 HydrophobicContact CE1-CG 4.12Å; Y211-L215 HydrophobicContact CE2-CD1 4.31Å; Y211-L215 HydrophobicContact CE2-CD2 4.17Å; Y211-L215 HydrophobicContact CE2-CG 4.03Å; Y211-L215 PolarHBondContact O-N 3.28Å; T212-L215 PolarHBondContact O-N 3.39Å; L215-S217 VanDerWaalsContact C-N 3.3Å; L215-S217 PolarHBondContact O-N 3.37Å; L215-I218 WeakPolarHBondContact O-CB 3.45Å; L215-I218 PolarHBondContact O-N 3.18Å; L215-E219 PolarHBondContact O-N 3.36Å; L215-E219 VanDerWaalsContact O-N 3.07Å; L215-I242 HydrophobicContact CD2-CD1 4.08Å; L215-L245 HydrophobicContact CD1-CB 4.17Å; L215-V246 HydrophobicContact CB-CG2 3.74Å; L215-H249 HydrophobicContact CD1-CB 4.03Å; L215-P331 HydrophobicContact CD2-CG 3.93Å |
| 216 | E | 97.1 | Very high | 96.1 | Very high | 72 Ų | 72 | 40.8 Ų | 40.8 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.9 | -36.9 | 175 | -71.6 | -174.3 | 113.3 | 0 | 0 | 112.3 | T212 E213 T214 E219 K220 V246 K250 | T212-E216 WeakPolarHBondContact O-CG 3.24Å; T212-E216 PolarHBondContact O-N 2.92Å; E213-E216 PolarHBondContact O-N 3.34Å; T214-E216 VanDerWaalsContact C-N 3.34Å; T214-E216 PolarHBondContact O-N 3.23Å; E216-E219 PolarHBondContact O-N 3.21Å; E216-K220 WeakPolarHBondContact O-CB 3.39Å; E216-K220 PolarHBondContact O-N 3.45Å; E216-V246 HydrophobicContact CG-CG1 4.04Å; E216-K250 VanDerWaalsContact CG-CE 3.45Å; E216-K250 WeakPolarHBondContact OE1-CE 3.42Å; E216-K250 IonicContact OE1-NZ 3.49Å; E216-K250 PolarHBondContact OE1-NZ 3.19Å |
| 217 | S | 96.7 | Very high | 96.2 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.4 | -39.4 | 175.8 | -168.9 | 0 | 0 | 0 | 0 | 111.5 | E213 T214 L215 H221 | E213-S217 VanDerWaalsContact O-CB 3.28Å; E213-S217 WeakPolarHBondContact O-CB 3.38Å; E213-S217 PolarHBondContact O-N 3.4Å; T214-S217 WeakPolarHBondContact O-CB 3.17Å; T214-S217 PolarHBondContact O-N 3Å; T214-S217 VanDerWaalsContact O-N 3.15Å; L215-S217 VanDerWaalsContact C-N 3.3Å; L215-S217 PolarHBondContact O-N 3.37Å; S217-H221 WeakPolarHBondContact O-CA 3.34Å; S217-H221 VanDerWaalsContact O-CB 3.28Å; S217-H221 WeakPolarHBondContact O-CB 3.26Å; S217-H221 PolarHBondContact O-N 3.13Å; S217-H221 PolarHBondContact OG-ND1 3.39Å |
| 218 | I | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -59.4 | -49.6 | 172.5 | -64 | 167 | 0 | 0 | 0 | 109.9 | T214 L215 F222 M223 F239 I242 L324 L327 | T214-I218 WeakPolarHBondContact O-CG1 3.2Å; T214-I218 PolarHBondContact O-N 3.44Å; L215-I218 WeakPolarHBondContact O-CB 3.45Å; L215-I218 PolarHBondContact O-N 3.18Å; I218-F222 WeakPolarHBondContact O-CA 3.16Å; I218-F222 WeakPolarHBondContact O-CB 3.41Å; I218-F222 PolarHBondContact O-N 3.43Å; I218-F222 VanDerWaalsContact O-N 3.09Å; I218-M223 HydrophobicContact CG2-CG 4.44Å; I218-M223 PolarHBondContact O-N 3.48Å; I218-F239 HydrophobicContact CG2-CD1 4.15Å; I218-F239 HydrophobicContact CG2-CE1 4Å; I218-I242 HydrophobicContact CG2-CG2 4.14Å; I218-L324 HydrophobicContact CG2-CD1 4.26Å; I218-L327 HydrophobicContact CD1-CB 3.95Å; I218-L327 HydrophobicContact CG1-CB 4.03Å; I218-L327 HydrophobicContact CG1-CD1 4.22Å |
| 219 | E | 95.5 | Very high | 96.2 | Very high | 62 Ų | 62 | 50.7 Ų | 50.7 | 29% | 0.29 | 25% | 0.248 | S | C | . | . | I | π-helix | trans | -61.9 | -50 | 180 | -173.6 | 178.1 | -141.4 | 0 | 0 | 111.9 | L215 E216 M223 M224 V246 | L215-E219 PolarHBondContact O-N 3.36Å; L215-E219 VanDerWaalsContact O-N 3.07Å; E216-E219 PolarHBondContact O-N 3.21Å; E219-M223 HydrophobicContact CB-SD 4.37Å; E219-M223 HydrophobicContact CG-SD 4.43Å; E219-M223 WeakPolarHBondContact O-CB 3.27Å; E219-M223 PolarHBondContact O-N 2.88Å; E219-M224 WeakPolarHBondContact O-CG 3.41Å; E219-M224 PolarHBondContact O-N 3.22Å; E219-V246 HydrophobicContact CB-CG2 4.39Å |
| 220 | K | 96.2 | Very high | 96.2 | Very high | 134 Ų | 134 | 48.9 Ų | 48.9 | 58% | 0.583 | 24% | 0.239 | S | C | * | . | I | π-helix | trans | -76.1 | -43.9 | -173.1 | -176 | -179.1 | 175.1 | -174.5 | 0 | 113.5 | E216 P225 | E216-K220 WeakPolarHBondContact O-CB 3.39Å; E216-K220 PolarHBondContact O-N 3.45Å; K220-P225 WeakPolarHBondContact O-CD 3.41Å |
| 221 | H | 96.8 | Very high | 96.2 | Very high | 54 Ų | 54 | 47.7 Ų | 47.7 | 25% | 0.25 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -99.6 | -16.7 | -170 | -55.2 | 128.8 | 0 | 0 | 0 | 113.5 | S217 P225 C313 A317 | S217-H221 WeakPolarHBondContact O-CA 3.34Å; S217-H221 VanDerWaalsContact O-CB 3.28Å; S217-H221 WeakPolarHBondContact O-CB 3.26Å; S217-H221 PolarHBondContact O-N 3.13Å; S217-H221 PolarHBondContact OG-ND1 3.39Å; H221-P225 WeakPolarHBondContact O-CG 3.45Å; H221-C313 VanDerWaalsContact O-CB 3.28Å; H221-C313 WeakPolarHBondContact O-CB 3.46Å; H221-C313 PolarHBondContact O-SG 3.47Å; H221-A317 HydrophobicContact CB-CB 3.78Å |
| 222 | F | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -115.5 | -59.2 | 175.7 | -63.4 | -95.3 | 0 | 0 | 0 | 112 | I218 M224 P225 L226 F239 L310 C313 A317 L324 L327 | I218-F222 WeakPolarHBondContact O-CA 3.16Å; I218-F222 WeakPolarHBondContact O-CB 3.41Å; I218-F222 PolarHBondContact O-N 3.43Å; I218-F222 VanDerWaalsContact O-N 3.09Å; F222-M224 PolarHBondContact O-N 3.26Å; F222-P225 WeakPolarHBondContact O-CD 3.44Å; F222-L226 HydrophobicContact CB-CD1 4.25Å; F222-L226 VanDerWaalsContact O-CB 3.25Å; F222-L226 WeakPolarHBondContact O-CB 3.44Å; F222-L226 WeakPolarHBondContact O-CD1 3.28Å; F222-L226 WeakPolarHBondContact O-CG 3.38Å; F222-L226 PolarHBondContact O-N 2.83Å; F222-F239 HydrophobicContact CB-CE1 4.36Å; F222-F239 HydrophobicContact CB-CZ 4.35Å; F222-L310 HydrophobicContact CD1-CD2 4.29Å; F222-C313 HydrophobicContact CD1-CB 3.51Å; F222-C313 HydrophobicContact CE1-CB 3.61Å; F222-C313 HydrophobicContact CG-CB 4.15Å; F222-C313 HydrophobicContact CZ-CB 4.32Å; F222-A317 HydrophobicContact CD2-CB 4.44Å; F222-A317 HydrophobicContact CE2-CB 3.56Å; F222-A317 HydrophobicContact CZ-CB 4.11Å; F222-L324 HydrophobicContact CB-CD1 4.04Å; F222-L324 HydrophobicContact CB-CD2 4.45Å; F222-L324 HydrophobicContact CD1-CB 3.75Å; F222-L324 HydrophobicContact CD1-CD1 4.01Å; F222-L324 HydrophobicContact CD1-CD2 4.19Å; F222-L324 HydrophobicContact CD1-CG 4.19Å; F222-L324 HydrophobicContact CE1-CB 3.77Å; F222-L324 HydrophobicContact CG-CD1 3.95Å; F222-L327 HydrophobicContact CD2-CD1 4.43Å; F222-L327 HydrophobicContact CE2-CD1 3.61Å; F222-L327 HydrophobicContact CZ-CD1 3.93Å |
| 223 | M | 96.8 | Very high | 95.9 | Very high | 24 Ų | 24 | 56.4 Ų | 56.4 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -58.8 | -54.1 | -174.6 | -64.9 | -177.2 | 64 | 0 | 0 | 111.9 | I218 E219 L226 T227 M235 F239 I242 P243 | I218-M223 HydrophobicContact CG2-CG 4.44Å; I218-M223 PolarHBondContact O-N 3.48Å; E219-M223 HydrophobicContact CB-SD 4.37Å; E219-M223 HydrophobicContact CG-SD 4.43Å; E219-M223 WeakPolarHBondContact O-CB 3.27Å; E219-M223 PolarHBondContact O-N 2.88Å; M223-L226 PolarHBondContact O-N 3.02Å; M223-T227 WeakPolarHBondContact O-CG2 3.42Å; M223-T227 PolarHBondContact O-N 3.21Å; M223-T227 VanDerWaalsContact O-N 3.14Å; M223-M235 HydrophobicContact CB-CE 4.09Å; M223-M235 HydrophobicContact CE-CE 4.36Å; M223-M235 WeakPolarHBondContact O-CE 3.43Å; M223-F239 HydrophobicContact CB-CE1 4.38Å; M223-F239 HydrophobicContact CB-CZ 4.37Å; M223-F239 HydrophobicContact CE-CB 3.69Å; M223-F239 HydrophobicContact CE-CD1 4.4Å; M223-F239 HydrophobicContact CE-CD2 4.35Å; M223-F239 HydrophobicContact CE-CG 3.91Å; M223-F239 HydrophobicContact CG-CB 4.28Å; M223-F239 HydrophobicContact CG-CD1 3.23Å; M223-F239 HydrophobicContact CG-CD2 3.9Å; M223-F239 HydrophobicContact CG-CE1 3.3Å; M223-F239 HydrophobicContact CG-CE2 3.98Å; M223-F239 HydrophobicContact CG-CG 3.53Å; M223-F239 HydrophobicContact CG-CZ 3.69Å; M223-F239 HydrophobicContact SD-CB 3.99Å; M223-F239 HydrophobicContact SD-CD1 3.77Å; M223-F239 HydrophobicContact SD-CE1 4.4Å; M223-F239 HydrophobicContact SD-CG 3.89Å; M223-I242 HydrophobicContact SD-CB 4.08Å; M223-I242 HydrophobicContact SD-CG2 3.8Å; M223-P243 HydrophobicContact CE-CG 3.61Å; M223-P243 HydrophobicContact SD-CG 4.24Å |
| 224 | M | 94.7 | Very high | 95.9 | Very high | 125 Ų | 125 | 53.5 Ų | 53.5 | 62% | 0.616 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -58 | -50.8 | -178.2 | -73 | -178.8 | 71.5 | 0 | 0 | 112.6 | E219 F222 L226 T227 | E219-M224 WeakPolarHBondContact O-CG 3.41Å; E219-M224 PolarHBondContact O-N 3.22Å; F222-M224 PolarHBondContact O-N 3.26Å; M224-L226 VanDerWaalsContact C-N 3.33Å; M224-L226 PolarHBondContact O-N 3.44Å; M224-T227 PolarHBondContact O-N 3.09Å; M224-T227 PolarHBondContact O-OG1 3.44Å |
| 225 | P | 95.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 54.4 Ų | 54.4 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.8 | -33.3 | 177.1 | -27 | 37.6 | 0 | 0 | 0 | 114.6 | K220 H221 F222 T227 | K220-P225 WeakPolarHBondContact O-CD 3.41Å; H221-P225 WeakPolarHBondContact O-CG 3.45Å; F222-P225 WeakPolarHBondContact O-CD 3.44Å; P225-T227 VanDerWaalsContact C-N 3.32Å |
| 226 | L | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -77.6 | -14.9 | -177.8 | -70.5 | 166.3 | 0 | 0 | 0 | 113.3 | F222 M223 M224 M228 F229 F230 M235 F239 K309 L310 L324 | F222-L226 HydrophobicContact CB-CD1 4.25Å; F222-L226 VanDerWaalsContact O-CB 3.25Å; F222-L226 WeakPolarHBondContact O-CB 3.44Å; F222-L226 WeakPolarHBondContact O-CD1 3.28Å; F222-L226 WeakPolarHBondContact O-CG 3.38Å; F222-L226 PolarHBondContact O-N 2.83Å; M223-L226 PolarHBondContact O-N 3.02Å; M224-L226 VanDerWaalsContact C-N 3.33Å; M224-L226 PolarHBondContact O-N 3.44Å; L226-M228 PolarHBondContact O-N 3.25Å; L226-M228 VanDerWaalsContact O-N 3.08Å; L226-F229 CarbonylContact O-C 3.59Å; L226-F229 PolarHBondContact O-N 3.21Å; L226-F230 HydrophobicContact CD1-CZ 4.47Å; L226-F230 HydrophobicContact CD2-CD1 4.45Å; L226-F230 HydrophobicContact CD2-CE1 4.03Å; L226-F230 HydrophobicContact CD2-CZ 4.37Å; L226-F230 PolarHBondContact O-N 3.43Å; L226-M235 HydrophobicContact CB-SD 4.27Å; L226-F239 HydrophobicContact CD1-CE2 4.26Å; L226-F239 HydrophobicContact CD1-CZ 3.8Å; L226-K309 HydrophobicContact CD2-CG 4.1Å; L226-L310 HydrophobicContact CD1-CD2 3.69Å; L226-L310 HydrophobicContact CD2-CD2 4.24Å; L226-L310 HydrophobicContact CD2-CG 4.39Å; L226-L324 HydrophobicContact CD1-CD2 4.05Å |
| 227 | T | 95.2 | Very high | 95.6 | Very high | 84 Ų | 84 | 63.2 Ų | 63.2 | 52% | 0.515 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -26.7 | 173.2 | 59.2 | 0 | 0 | 0 | 0 | 114 | M223 M224 P225 M235 | M223-T227 WeakPolarHBondContact O-CG2 3.42Å; M223-T227 PolarHBondContact O-N 3.21Å; M223-T227 VanDerWaalsContact O-N 3.14Å; M224-T227 PolarHBondContact O-N 3.09Å; M224-T227 PolarHBondContact O-OG1 3.44Å; P225-T227 VanDerWaalsContact C-N 3.32Å; T227-M235 HydrophobicContact CG2-CE 3.99Å |
| 228 | M | 94.9 | Very high | 95.5 | Very high | 152 Ų | 152 | 62.1 Ų | 62.1 | 75% | 0.749 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -13.2 | 176.9 | -60.9 | -171.5 | -59.5 | 0 | 0 | 113.4 | L226 | L226-M228 PolarHBondContact O-N 3.25Å; L226-M228 VanDerWaalsContact O-N 3.08Å |
| 229 | F | 95.3 | Very high | 95.5 | Very high | 58 Ų | 58 | 62.3 Ų | 62.3 | 25% | 0.254 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -32.2 | -176 | -69.5 | -98.2 | 0 | 0 | 0 | 111.9 | L226 R303 D305 V306 K309 | L226-F229 CarbonylContact O-C 3.59Å; L226-F229 PolarHBondContact O-N 3.21Å; F229-R303 VanDerWaalsContact O-CZ 3.24Å; F229-R303 PolarHBondContact O-NH1 2.95Å; F229-R303 PolarHBondContact O-NH2 2.91Å; F229-D305 HydrophobicContact CE1-CB 4.43Å; F229-V306 HydrophobicContact CB-CG2 4.23Å; F229-K309 HydrophobicContact CD2-CD 4.42Å; F229-K309 HydrophobicContact CD2-CG 4.01Å; F229-K309 HydrophobicContact CE1-CB 4.31Å; F229-K309 HydrophobicContact CE1-CG 4.47Å; F229-K309 HydrophobicContact CE2-CB 4.49Å; F229-K309 HydrophobicContact CE2-CD 3.71Å; F229-K309 HydrophobicContact CE2-CG 3.79Å; F229-K309 HydrophobicContact CG-CG 4.46Å; F229-K309 HydrophobicContact CZ-CB 4.3Å; F229-K309 HydrophobicContact CZ-CD 3.85Å; F229-K309 HydrophobicContact CZ-CG 4.04Å |
| 230 | F | 94.4 | Very high | 95.5 | Very high | 11 Ų | 11 | 60.3 Ų | 60.3 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -97.9 | 143.6 | -178.8 | -75.7 | 18.8 | 0 | 0 | 0 | 110.1 | L226 E234 M235 V238 F239 L296 I299 V306 | L226-F230 HydrophobicContact CD1-CZ 4.47Å; L226-F230 HydrophobicContact CD2-CD1 4.45Å; L226-F230 HydrophobicContact CD2-CE1 4.03Å; L226-F230 HydrophobicContact CD2-CZ 4.37Å; L226-F230 PolarHBondContact O-N 3.43Å; F230-E234 HydrophobicContact CB-CB 4.01Å; F230-E234 HydrophobicContact CD2-CB 4.02Å; F230-E234 HydrophobicContact CG-CB 4.13Å; F230-M235 HydrophobicContact CB-CG 3.67Å; F230-M235 HydrophobicContact CB-SD 3.65Å; F230-M235 HydrophobicContact CD2-CG 4.45Å; F230-M235 HydrophobicContact CD2-SD 3.79Å; F230-M235 HydrophobicContact CG-SD 4.05Å; F230-V238 HydrophobicContact CE2-CB 4.08Å; F230-V238 HydrophobicContact CE2-CG1 4.14Å; F230-V238 HydrophobicContact CE2-CG2 3.87Å; F230-F239 HydrophobicContact CE2-CE2 4.44Å; F230-L296 HydrophobicContact CZ-CD1 4.06Å; F230-I299 HydrophobicContact CE1-CG2 4.03Å; F230-I299 HydrophobicContact CE2-CD1 4.36Å; F230-I299 HydrophobicContact CZ-CD1 4.26Å; F230-I299 HydrophobicContact CZ-CG2 4.31Å; F230-V306 HydrophobicContact CD1-CG2 4.3Å; F230-V306 HydrophobicContact CE1-CB 4.36Å; F230-V306 HydrophobicContact CE1-CG1 3.53Å; F230-V306 HydrophobicContact CE1-CG2 3.88Å; F230-V306 HydrophobicContact CZ-CG1 4.08Å |
| 231 | S | 95 | Very high | 95.6 | Very high | 58 Ų | 58 | 54.1 Ų | 54.1 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | trans | -64.8 | 161.2 | 161.8 | 65 | 0 | 0 | 0 | 0 | 110.8 | V233 E234 M235 | S231-V233 PolarHBondContact O-N 3.24Å; S231-E234 WeakPolarHBondContact CB-OE2 3.37Å; S231-E234 PolarHBondContact N-OE2 2.85Å; S231-E234 PolarHBondContact O-N 3.05Å; S231-E234 VanDerWaalsContact OG-CD 3.31Å; S231-E234 VanDerWaalsContact OG-CG 3.25Å; S231-E234 WeakPolarHBondContact OG-CG 3.17Å; S231-E234 PolarHBondContact OG-N 3.04Å; S231-E234 PolarHBondContact OG-OE2 2.98Å; S231-M235 WeakPolarHBondContact O-CG 3.35Å; S231-M235 PolarHBondContact O-N 3.48Å | ||
| 232 | T | 94.3 | Very high | 95.6 | Very high | 111 Ų | 111 | 51.6 Ų | 51.6 | 68% | 0.681 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -56.9 | -37.9 | 176.3 | 52 | 0 | 0 | 0 | 0 | 112.3 | M235 E236 | T232-M235 WeakPolarHBondContact O-CB 3.35Å; T232-M235 PolarHBondContact O-N 3.16Å; T232-E236 WeakPolarHBondContact O-CG 3.47Å; T232-E236 PolarHBondContact O-N 3.33Å |
| 233 | V | 94.9 | Very high | 95.6 | Very high | 76 Ų | 76 | 53.8 Ų | 53.8 | 46% | 0.461 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.9 | -40.7 | 178.4 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | S231 E236 K237 | S231-V233 PolarHBondContact O-N 3.24Å; V233-E236 PolarHBondContact O-N 3.03Å; V233-K237 HydrophobicContact CG1-CD 4.27Å; V233-K237 WeakPolarHBondContact O-CB 3.38Å; V233-K237 WeakPolarHBondContact O-CG 3.44Å; V233-K237 PolarHBondContact O-N 3.42Å |
| 234 | E | 95.2 | Very high | 95.6 | Very high | 44 Ų | 44 | 57.1 Ų | 57.1 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 174.9 | -71.5 | 164.4 | 136 | 0 | 0 | 111 | F230 S231 K237 V238 I299 R303 | F230-E234 HydrophobicContact CB-CB 4.01Å; F230-E234 HydrophobicContact CD2-CB 4.02Å; F230-E234 HydrophobicContact CG-CB 4.13Å; S231-E234 WeakPolarHBondContact CB-OE2 3.37Å; S231-E234 PolarHBondContact N-OE2 2.85Å; S231-E234 PolarHBondContact O-N 3.05Å; S231-E234 VanDerWaalsContact OG-CD 3.31Å; S231-E234 VanDerWaalsContact OG-CG 3.25Å; S231-E234 WeakPolarHBondContact OG-CG 3.17Å; S231-E234 PolarHBondContact OG-N 3.04Å; S231-E234 PolarHBondContact OG-OE2 2.98Å; E234-K237 PolarHBondContact O-N 3.06Å; E234-V238 WeakPolarHBondContact O-CB 3.42Å; E234-V238 WeakPolarHBondContact O-CG2 3.15Å; E234-V238 PolarHBondContact O-N 3.2Å; E234-I299 HydrophobicContact CB-CD1 4.16Å; E234-I299 HydrophobicContact CG-CD1 3.92Å; E234-R303 IonicContact OE1-NH1 3.64Å; E234-R303 IonicContact OE2-NH1 3.14Å |
| 235 | M | 96.4 | Very high | 95.7 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 174.4 | -73.3 | -62.6 | -62.7 | 0 | 0 | 111.7 | M223 L226 T227 F230 S231 T232 K237 F239 | M223-M235 HydrophobicContact CB-CE 4.09Å; M223-M235 HydrophobicContact CE-CE 4.36Å; M223-M235 WeakPolarHBondContact O-CE 3.43Å; L226-M235 HydrophobicContact CB-SD 4.27Å; T227-M235 HydrophobicContact CG2-CE 3.99Å; F230-M235 HydrophobicContact CB-CG 3.67Å; F230-M235 HydrophobicContact CB-SD 3.65Å; F230-M235 HydrophobicContact CD2-CG 4.45Å; F230-M235 HydrophobicContact CD2-SD 3.79Å; F230-M235 HydrophobicContact CG-SD 4.05Å; S231-M235 WeakPolarHBondContact O-CG 3.35Å; S231-M235 PolarHBondContact O-N 3.48Å; T232-M235 WeakPolarHBondContact O-CB 3.35Å; T232-M235 PolarHBondContact O-N 3.16Å; M235-K237 PolarHBondContact O-N 3.17Å; M235-F239 HydrophobicContact CE-CD2 3.6Å; M235-F239 HydrophobicContact CE-CE2 3.68Å; M235-F239 WeakPolarHBondContact O-CB 3.49Å; M235-F239 PolarHBondContact O-N 3.01Å; M235-F239 HydrophobicContact SD-CD2 3.96Å; M235-F239 HydrophobicContact SD-CE2 3.76Å |
| 236 | E | 94.5 | Very high | 95.8 | Very high | 141 Ų | 141 | 50 Ų | 50 | 66% | 0.659 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.8 | -40.1 | 177.4 | -74.4 | 176.1 | -178 | 0 | 0 | 112.2 | T232 V233 V240 | T232-E236 WeakPolarHBondContact O-CG 3.47Å; T232-E236 PolarHBondContact O-N 3.33Å; V233-E236 PolarHBondContact O-N 3.03Å; E236-V240 VanDerWaalsContact O-CA 3.23Å; E236-V240 WeakPolarHBondContact O-CA 3.23Å; E236-V240 PolarHBondContact O-N 3.34Å |
| 237 | K | 93.8 | Very high | 95.9 | Very high | 117 Ų | 117 | 58.1 Ų | 58.1 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.6 | -42.1 | 179.3 | -76.2 | -179 | 177.9 | -176.7 | 0 | 113 | V233 E234 M235 A292 T295 | V233-K237 HydrophobicContact CG1-CD 4.27Å; V233-K237 WeakPolarHBondContact O-CB 3.38Å; V233-K237 WeakPolarHBondContact O-CG 3.44Å; V233-K237 PolarHBondContact O-N 3.42Å; E234-K237 PolarHBondContact O-N 3.06Å; M235-K237 PolarHBondContact O-N 3.17Å; K237-A292 WeakPolarHBondContact O-CA 3.49Å; K237-A292 WeakPolarHBondContact O-CB 3.47Å; K237-T295 HydrophobicContact CB-CG2 4.33Å; K237-T295 HydrophobicContact CD-CG2 4.49Å |
| 238 | V | 96.3 | Very high | 96 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -79.8 | -38.2 | -175.3 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | F230 E234 A292 T295 L296 I299 L324 L328 | F230-V238 HydrophobicContact CE2-CB 4.08Å; F230-V238 HydrophobicContact CE2-CG1 4.14Å; F230-V238 HydrophobicContact CE2-CG2 3.87Å; E234-V238 WeakPolarHBondContact O-CB 3.42Å; E234-V238 WeakPolarHBondContact O-CG2 3.15Å; E234-V238 PolarHBondContact O-N 3.2Å; V238-A292 WeakPolarHBondContact O-CB 3.34Å; V238-T295 HydrophobicContact CG2-CG2 4.09Å; V238-L296 HydrophobicContact CG1-CB 4.32Å; V238-L296 HydrophobicContact CG1-CD1 4.25Å; V238-L296 HydrophobicContact CG2-CB 4.35Å; V238-I299 HydrophobicContact CG2-CD1 4.28Å; V238-L324 HydrophobicContact CG1-CD2 4.46Å; V238-L328 HydrophobicContact CG1-CD1 4.26Å |
| 239 | F | 97 | Very high | 96.2 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.013 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -102 | -6.7 | -176.3 | -64.3 | -76.2 | 0 | 0 | 0 | 114.3 | I218 F222 M223 L226 F230 M235 N241 I242 L324 L328 | I218-F239 HydrophobicContact CG2-CD1 4.15Å; I218-F239 HydrophobicContact CG2-CE1 4Å; F222-F239 HydrophobicContact CB-CE1 4.36Å; F222-F239 HydrophobicContact CB-CZ 4.35Å; M223-F239 HydrophobicContact CB-CE1 4.38Å; M223-F239 HydrophobicContact CB-CZ 4.37Å; M223-F239 HydrophobicContact CE-CB 3.69Å; M223-F239 HydrophobicContact CE-CD1 4.4Å; M223-F239 HydrophobicContact CE-CD2 4.35Å; M223-F239 HydrophobicContact CE-CG 3.91Å; M223-F239 HydrophobicContact CG-CB 4.28Å; M223-F239 HydrophobicContact CG-CD1 3.23Å; M223-F239 HydrophobicContact CG-CD2 3.9Å; M223-F239 HydrophobicContact CG-CE1 3.3Å; M223-F239 HydrophobicContact CG-CE2 3.98Å; M223-F239 HydrophobicContact CG-CG 3.53Å; M223-F239 HydrophobicContact CG-CZ 3.69Å; M223-F239 HydrophobicContact SD-CB 3.99Å; M223-F239 HydrophobicContact SD-CD1 3.77Å; M223-F239 HydrophobicContact SD-CE1 4.4Å; M223-F239 HydrophobicContact SD-CG 3.89Å; L226-F239 HydrophobicContact CD1-CE2 4.26Å; L226-F239 HydrophobicContact CD1-CZ 3.8Å; F230-F239 HydrophobicContact CE2-CE2 4.44Å; M235-F239 HydrophobicContact CE-CD2 3.6Å; M235-F239 HydrophobicContact CE-CE2 3.68Å; M235-F239 WeakPolarHBondContact O-CB 3.49Å; M235-F239 PolarHBondContact O-N 3.01Å; M235-F239 HydrophobicContact SD-CD2 3.96Å; M235-F239 HydrophobicContact SD-CE2 3.76Å; F239-N241 PolarHBondContact O-N 3Å; F239-I242 VanDerWaalsContact O-CG1 3.24Å; F239-I242 WeakPolarHBondContact O-CG1 3.48Å; F239-I242 PolarHBondContact O-N 3.05Å; F239-L324 HydrophobicContact CE1-CD1 3.88Å; F239-L324 HydrophobicContact CE1-CD2 4Å; F239-L324 HydrophobicContact CZ-CD1 4.47Å; F239-L324 HydrophobicContact CZ-CD2 3.8Å; F239-L328 HydrophobicContact CD1-CD2 4.45Å |
| 240 | V | 95.6 | Very high | 96.3 | Very high | 21 Ų | 21 | 49 Ų | 49 | 13% | 0.127 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | -94 | 173.7 | -168.2 | 0 | 0 | 0 | 0 | 113.2 | E236 K284 Y285 H288 A292 | E236-V240 VanDerWaalsContact O-CA 3.23Å; E236-V240 WeakPolarHBondContact O-CA 3.23Å; E236-V240 PolarHBondContact O-N 3.34Å; V240-K284 HydrophobicContact CG1-CG 4.09Å; V240-Y285 HydrophobicContact CB-CD2 4.13Å; V240-Y285 HydrophobicContact CB-CE2 4.45Å; V240-H288 HydrophobicContact CG1-CB 3.88Å; V240-H288 HydrophobicContact CG2-CB 3.85Å; V240-A292 HydrophobicContact CG2-CB 4.03Å |
| 241 | N | 96.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.8 | 35 | 178.8 | 65.7 | -45.7 | 0 | 0 | 0 | 112.2 | F239 P243 E244 L245 I281 K284 Y285 | F239-N241 PolarHBondContact O-N 3Å; N241-P243 VanDerWaalsContact C-CD 3.44Å; N241-P243 VanDerWaalsContact C-N 3.35Å; N241-E244 VanDerWaalsContact C-OE2 3.29Å; N241-E244 WeakPolarHBondContact CA-OE2 3.31Å; N241-E244 HydrophobicContact CB-CB 4.47Å; N241-E244 VanDerWaalsContact CB-OE2 3.29Å; N241-E244 WeakPolarHBondContact CB-OE2 3.34Å; N241-E244 PolarHBondContact O-N 3.28Å; N241-L245 PolarHBondContact O-N 2.86Å; N241-L245 VanDerWaalsContact O-N 3.14Å; N241-I281 PolarHBondContact ND2-O 3.45Å; N241-K284 HydrophobicContact CB-CD 4.12Å; N241-Y285 WeakPolarHBondContact OD1-CA 3.3Å; N241-Y285 WeakPolarHBondContact OD1-CB 3.38Å; N241-Y285 PolarHBondContact OD1-N 3.19Å |
| 242 | I | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.5 | -42.9 | 172.8 | -71.3 | -72.3 | 0 | 0 | 0 | 112.6 | L215 I218 M223 F239 E244 L245 V246 Y285 P331 | L215-I242 HydrophobicContact CD2-CD1 4.08Å; I218-I242 HydrophobicContact CG2-CG2 4.14Å; M223-I242 HydrophobicContact SD-CB 4.08Å; M223-I242 HydrophobicContact SD-CG2 3.8Å; F239-I242 VanDerWaalsContact O-CG1 3.24Å; F239-I242 WeakPolarHBondContact O-CG1 3.48Å; F239-I242 PolarHBondContact O-N 3.05Å; I242-E244 VanDerWaalsContact C-N 3.3Å; I242-E244 PolarHBondContact O-N 2.67Å; I242-L245 HydrophobicContact CD1-CD1 4.14Å; I242-L245 WeakPolarHBondContact O-CA 3.36Å; I242-L245 WeakPolarHBondContact O-CB 3.22Å; I242-L245 PolarHBondContact O-N 2.74Å; I242-V246 HydrophobicContact CG2-CG2 4.17Å; I242-V246 WeakPolarHBondContact O-CG2 3.46Å; I242-V246 PolarHBondContact O-N 3.04Å; I242-Y285 HydrophobicContact CD1-CD2 4.32Å; I242-Y285 HydrophobicContact CD1-CE2 3.45Å; I242-Y285 VanDerWaalsContact CD1-CE2 3.45Å; I242-Y285 HydrophobicContact CG1-CE2 3.74Å; I242-P331 HydrophobicContact CD1-CG 4.09Å |
| 243 | P | 96.7 | Very high | 96.6 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 31% | 0.305 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.4 | -39 | 179.1 | -26.3 | 36.7 | 0 | 0 | 0 | 113.2 | M223 N241 V246 K247 | M223-P243 HydrophobicContact CE-CG 3.61Å; M223-P243 HydrophobicContact SD-CG 4.24Å; N241-P243 VanDerWaalsContact C-CD 3.44Å; N241-P243 VanDerWaalsContact C-N 3.35Å; P243-V246 PolarHBondContact O-N 2.66Å; P243-K247 PolarHBondContact O-N 2.7Å; P243-K247 VanDerWaalsContact O-N 3.07Å |
| 244 | E | 97.6 | Very high | 96.6 | Very high | 93 Ų | 93 | 43.8 Ų | 43.8 | 44% | 0.435 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.6 | -39.1 | 174.6 | -66.4 | 81.8 | 175.9 | 0 | 0 | 111.7 | N241 I242 K247 V248 I281 | N241-E244 VanDerWaalsContact C-OE2 3.29Å; N241-E244 WeakPolarHBondContact CA-OE2 3.31Å; N241-E244 HydrophobicContact CB-CB 4.47Å; N241-E244 VanDerWaalsContact CB-OE2 3.29Å; N241-E244 WeakPolarHBondContact CB-OE2 3.34Å; N241-E244 PolarHBondContact O-N 3.28Å; I242-E244 VanDerWaalsContact C-N 3.3Å; I242-E244 PolarHBondContact O-N 2.67Å; E244-K247 PolarHBondContact O-N 3.15Å; E244-V248 WeakPolarHBondContact O-CG2 3.37Å; E244-V248 PolarHBondContact O-N 3.42Å; E244-I281 HydrophobicContact CB-CD1 3.94Å |
| 245 | L | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 174 | -69.5 | 172.2 | 0 | 0 | 0 | 111.1 | L215 N241 I242 K247 V248 H249 I281 Y282 Y285 P331 | L215-L245 HydrophobicContact CD1-CB 4.17Å; N241-L245 PolarHBondContact O-N 2.86Å; N241-L245 VanDerWaalsContact O-N 3.14Å; I242-L245 HydrophobicContact CD1-CD1 4.14Å; I242-L245 WeakPolarHBondContact O-CA 3.36Å; I242-L245 WeakPolarHBondContact O-CB 3.22Å; I242-L245 PolarHBondContact O-N 2.74Å; L245-K247 VanDerWaalsContact C-N 3.28Å; L245-K247 PolarHBondContact O-N 3.06Å; L245-V248 PolarHBondContact O-N 3.02Å; L245-H249 WeakPolarHBondContact O-CB 3.12Å; L245-H249 PolarHBondContact O-CD2 3.25Å; L245-H249 PolarHBondContact O-N 3.05Å; L245-I281 HydrophobicContact CD2-CD1 3.75Å; L245-I281 HydrophobicContact CD2-CG1 3.81Å; L245-I281 HydrophobicContact CG-CD1 4.25Å; L245-Y282 HydrophobicContact CD1-CE1 4.38Å; L245-Y282 HydrophobicContact CD2-CD1 4.09Å; L245-Y282 HydrophobicContact CD2-CD2 3.9Å; L245-Y282 HydrophobicContact CD2-CE1 3.78Å; L245-Y282 HydrophobicContact CD2-CE2 3.56Å; L245-Y282 HydrophobicContact CD2-CG 4.15Å; L245-Y285 HydrophobicContact CD1-CD1 4.42Å; L245-Y285 HydrophobicContact CD1-CD2 3.68Å; L245-Y285 HydrophobicContact CD1-CE2 4.19Å; L245-Y285 HydrophobicContact CD1-CG 3.81Å; L245-P331 HydrophobicContact CD1-CB 4.16Å |
| 246 | V | 97.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.1 | -48.8 | 175.4 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | L215 E216 E219 I242 P243 V248 H249 K250 | L215-V246 HydrophobicContact CB-CG2 3.74Å; E216-V246 HydrophobicContact CG-CG1 4.04Å; E219-V246 HydrophobicContact CB-CG2 4.39Å; I242-V246 HydrophobicContact CG2-CG2 4.17Å; I242-V246 WeakPolarHBondContact O-CG2 3.46Å; I242-V246 PolarHBondContact O-N 3.04Å; P243-V246 PolarHBondContact O-N 2.66Å; V246-V248 PolarHBondContact O-N 2.89Å; V246-H249 PolarHBondContact O-N 2.95Å; V246-K250 HydrophobicContact CG1-CD 3.99Å; V246-K250 HydrophobicContact CG1-CG 4.42Å; V246-K250 WeakPolarHBondContact O-CB 3.39Å; V246-K250 VanDerWaalsContact O-CG 3.28Å; V246-K250 WeakPolarHBondContact O-CG 3.45Å; V246-K250 PolarHBondContact O-N 3.48Å |
| 247 | K | 97.8 | Very high | 96.2 | Very high | 169 Ų | 169 | 40.3 Ų | 40.3 | 74% | 0.735 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -61.8 | -44.6 | -179.3 | -175.2 | -179.7 | 179 | -179.6 | 0 | 112.6 | P243 E244 L245 G251 | P243-K247 PolarHBondContact O-N 2.7Å; P243-K247 VanDerWaalsContact O-N 3.07Å; E244-K247 PolarHBondContact O-N 3.15Å; L245-K247 VanDerWaalsContact C-N 3.28Å; L245-K247 PolarHBondContact O-N 3.06Å; K247-G251 PolarHBondContact O-N 3.3Å |
| 248 | V | 97.9 | Very high | 96 | Very high | 26 Ų | 26 | 39.6 Ų | 39.6 | 16% | 0.158 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.5 | -45.7 | 179.7 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | E244 L245 V246 G251 L252 F275 R278 L279 I281 | E244-V248 WeakPolarHBondContact O-CG2 3.37Å; E244-V248 PolarHBondContact O-N 3.42Å; L245-V248 PolarHBondContact O-N 3.02Å; V246-V248 PolarHBondContact O-N 2.89Å; V248-G251 PolarHBondContact O-N 3.38Å; V248-L252 PolarHBondContact O-N 3.49Å; V248-F275 HydrophobicContact CG1-CD1 4.08Å; V248-F275 HydrophobicContact CG1-CE1 4.31Å; V248-F275 WeakPolarHBondContact O-CE1 3.34Å; V248-R278 HydrophobicContact CG1-CB 4.1Å; V248-R278 HydrophobicContact CG2-CB 4.4Å; V248-L279 HydrophobicContact CG1-CD2 3.95Å; V248-I281 HydrophobicContact CB-CD1 4.25Å; V248-I281 HydrophobicContact CG2-CD1 3.7Å |
| 249 | H | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.6 | -33.6 | -176.8 | -78 | -75.1 | 0 | 0 | 0 | 113.5 | E208 Y211 L215 L245 V246 G251 L252 L253 Y282 Y338 | E208-H249 IonicContact OE1-CE1 3.96Å; E208-H249 IonicContact OE1-CG 3.19Å; E208-H249 IonicContact OE1-ND1 3Å; E208-H249 PolarHBondContact OE1-ND1 3.04Å; Y211-H249 AromaticContact CD1-ND1 3.81Å; Y211-H249 HydrophobicContact CE1-CB 4.45Å; Y211-H249 AromaticContact CE1-CD2 3.73Å; Y211-H249 AromaticContact CE1-CE1 3.71Å; Y211-H249 AromaticContact CE1-CG 3.62Å; Y211-H249 AromaticContact CE1-ND1 3.58Å; Y211-H249 AromaticContact CE1-NE2 3.8Å; L215-H249 HydrophobicContact CD1-CB 4.03Å; L245-H249 WeakPolarHBondContact O-CB 3.12Å; L245-H249 PolarHBondContact O-CD2 3.25Å; L245-H249 PolarHBondContact O-N 3.05Å; V246-H249 PolarHBondContact O-N 2.95Å; H249-G251 VanDerWaalsContact C-N 3.3Å; H249-G251 PolarHBondContact O-N 2.9Å; H249-L252 PolarHBondContact O-N 2.69Å; H249-L253 VanDerWaalsContact O-CB 3.3Å; H249-L253 WeakPolarHBondContact O-CB 3.49Å; H249-L253 PolarHBondContact O-N 3.31Å; H249-Y282 PolarHBondContact CD2-OH 3.47Å; H249-Y282 PolarHBondContact CE1-OH 2.73Å; H249-Y282 AromaticContact NE2-CE2 3.28Å; H249-Y282 VanDerWaalsContact NE2-CE2 3.28Å; H249-Y282 WeakPolarHBondContact NE2-CE2 3.49Å; H249-Y282 AromaticContact NE2-CZ 3.39Å; H249-Y282 PolarHBondContact NE2-OH 3.06Å; H249-Y338 AromaticContact CE1-CZ 4Å; H249-Y338 PolarHBondContact CE1-OH 3.35Å; H249-Y338 PolarHBondContact ND1-OH 3.22Å |
| 250 | K | 97.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 41.5 Ų | 41.5 | 34% | 0.339 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -55.9 | -45.9 | 167 | -78 | 178.9 | 177.3 | -171.3 | 0 | 112.3 | T212 E216 V246 L254 | T212-K250 HydrophobicContact CG2-CG 3.82Å; E216-K250 VanDerWaalsContact CG-CE 3.45Å; E216-K250 WeakPolarHBondContact OE1-CE 3.42Å; E216-K250 IonicContact OE1-NZ 3.49Å; E216-K250 PolarHBondContact OE1-NZ 3.19Å; V246-K250 HydrophobicContact CG1-CD 3.99Å; V246-K250 HydrophobicContact CG1-CG 4.42Å; V246-K250 WeakPolarHBondContact O-CB 3.39Å; V246-K250 VanDerWaalsContact O-CG 3.28Å; V246-K250 WeakPolarHBondContact O-CG 3.45Å; V246-K250 PolarHBondContact O-N 3.48Å; K250-L254 VanDerWaalsContact O-CG 3.27Å; K250-L254 WeakPolarHBondContact O-CG 3.34Å; K250-L254 PolarHBondContact O-N 3.44Å; K250-L254 VanDerWaalsContact O-N 3.12Å |
| 251 | G | 97.3 | Very high | 93.8 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 25% | 0.247 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K247 V248 H249 E255 F275 | K247-G251 PolarHBondContact O-N 3.3Å; V248-G251 PolarHBondContact O-N 3.38Å; H249-G251 VanDerWaalsContact C-N 3.3Å; H249-G251 PolarHBondContact O-N 2.9Å; G251-E255 WeakPolarHBondContact O-CG 3.2Å; G251-E255 PolarHBondContact O-N 2.97Å; G251-F275 VanDerWaalsContact C-CZ 3.48Å |
| 252 | L | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 178.7 | 179.9 | 56 | 0 | 0 | 0 | 111.2 | V248 H249 L254 E255 I256 I271 F275 Y338 | V248-L252 PolarHBondContact O-N 3.49Å; H249-L252 PolarHBondContact O-N 2.69Å; L252-L254 PolarHBondContact O-N 3.16Å; L252-E255 PolarHBondContact O-N 3.18Å; L252-I256 HydrophobicContact CD1-CD1 3.81Å; L252-I256 HydrophobicContact CD1-CG1 4.15Å; L252-I256 HydrophobicContact CG-CD1 3.79Å; L252-I256 HydrophobicContact CG-CG1 4.5Å; L252-I256 VanDerWaalsContact O-CG1 3.31Å; L252-I256 WeakPolarHBondContact O-CG1 3.26Å; L252-I256 PolarHBondContact O-N 3.24Å; L252-I271 HydrophobicContact CD1-CG2 3.6Å; L252-F275 HydrophobicContact CB-CD1 3.81Å; L252-F275 HydrophobicContact CB-CE1 3.64Å; L252-F275 HydrophobicContact CB-CG 4.43Å; L252-F275 HydrophobicContact CB-CZ 4.13Å; L252-F275 HydrophobicContact CD1-CB 4.19Å; L252-F275 HydrophobicContact CD1-CD1 4.04Å; L252-F275 HydrophobicContact CD1-CD2 3.96Å; L252-F275 HydrophobicContact CD1-CE1 4.42Å; L252-F275 HydrophobicContact CD1-CE2 4.33Å; L252-F275 HydrophobicContact CD1-CG 3.79Å; L252-F275 HydrophobicContact CG-CD1 4.37Å; L252-F275 VanDerWaalsContact N-CE1 3.34Å; L252-Y338 HydrophobicContact CD2-CE1 4.45Å |
| 253 | L | 96.1 | Very high | 91.1 | Very high | 22 Ų | 22 | 61.1 Ų | 61.1 | 12% | 0.115 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 179.1 | 175.2 | 58.2 | 0 | 0 | 0 | 111.8 | E208 E209 T212 H249 E255 I256 Q257 | E208-L253 HydrophobicContact CB-CD1 4.33Å; E208-L253 HydrophobicContact CG-CB 4.18Å; E208-L253 HydrophobicContact CG-CD1 4.18Å; E209-L253 HydrophobicContact CB-CD1 4.33Å; E209-L253 HydrophobicContact CG-CD1 3.39Å; E209-L253 HydrophobicContact CG-CD2 4.08Å; E209-L253 HydrophobicContact CG-CG 4.34Å; T212-L253 HydrophobicContact CG2-CD2 4.16Å; H249-L253 VanDerWaalsContact O-CB 3.3Å; H249-L253 WeakPolarHBondContact O-CB 3.49Å; H249-L253 PolarHBondContact O-N 3.31Å; L253-E255 PolarHBondContact O-N 2.84Å; L253-I256 PolarHBondContact O-N 2.81Å; L253-Q257 HydrophobicContact CD1-CG 3.89Å; L253-Q257 HydrophobicContact CG-CG 4.37Å; L253-Q257 WeakPolarHBondContact O-CB 3.4Å; L253-Q257 VanDerWaalsContact O-CG 3.31Å; L253-Q257 WeakPolarHBondContact O-CG 3.45Å; L253-Q257 PolarHBondContact O-N 3.28Å |
| 254 | L | 95.1 | Very high | 89.8 | Confident | 100 Ų | 100 | 61.5 Ų | 61.5 | 52% | 0.524 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.9 | -47.8 | 178 | -74.1 | 169.8 | 0 | 0 | 0 | 111.6 | K250 L252 I256 Q257 E258 | K250-L254 VanDerWaalsContact O-CG 3.27Å; K250-L254 WeakPolarHBondContact O-CG 3.34Å; K250-L254 PolarHBondContact O-N 3.44Å; K250-L254 VanDerWaalsContact O-N 3.12Å; L252-L254 PolarHBondContact O-N 3.16Å; L254-I256 PolarHBondContact O-N 3.45Å; L254-Q257 PolarHBondContact O-N 2.89Å; L254-E258 WeakPolarHBondContact O-CG 3.48Å; L254-E258 PolarHBondContact O-N 3.11Å |
| 255 | E | 94.6 | Very high | 88.9 | Confident | 83 Ų | 83 | 57.4 Ų | 57.4 | 39% | 0.388 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 179.2 | -68.3 | -84 | -170.4 | 0 | 0 | 112 | G251 L252 L253 E258 S259 I271 F275 | G251-E255 WeakPolarHBondContact O-CG 3.2Å; G251-E255 PolarHBondContact O-N 2.97Å; L252-E255 PolarHBondContact O-N 3.18Å; L253-E255 PolarHBondContact O-N 2.84Å; E255-E258 PolarHBondContact O-N 3.21Å; E255-S259 WeakPolarHBondContact O-CB 3.39Å; E255-S259 PolarHBondContact O-N 3.01Å; E255-I271 HydrophobicContact CB-CD1 4.04Å; E255-I271 HydrophobicContact CB-CG1 4.3Å; E255-I271 HydrophobicContact CB-CG2 3.94Å; E255-I271 VanDerWaalsContact O-CD1 3.27Å; E255-I271 WeakPolarHBondContact O-CD1 3.32Å; E255-F275 HydrophobicContact CB-CE2 4.5Å; E255-F275 HydrophobicContact CG-CE2 4.12Å; E255-F275 HydrophobicContact CG-CZ 4.4Å |
| 256 | I | 92.6 | Very high | 88 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 174.7 | -71.4 | 171.5 | 0 | 0 | 0 | 110.3 | I204 K205 E208 L252 L253 L254 E258 S259 V260 L268 I271 F272 | I204-I256 HydrophobicContact CG2-CD1 4.45Å; K205-I256 HydrophobicContact CB-CG2 4.32Å; E208-I256 HydrophobicContact CG-CD1 4.19Å; L252-I256 HydrophobicContact CD1-CD1 3.81Å; L252-I256 HydrophobicContact CD1-CG1 4.15Å; L252-I256 HydrophobicContact CG-CD1 3.79Å; L252-I256 HydrophobicContact CG-CG1 4.5Å; L252-I256 VanDerWaalsContact O-CG1 3.31Å; L252-I256 WeakPolarHBondContact O-CG1 3.26Å; L252-I256 PolarHBondContact O-N 3.24Å; L253-I256 PolarHBondContact O-N 2.81Å; L254-I256 PolarHBondContact O-N 3.45Å; I256-E258 PolarHBondContact O-N 2.85Å; I256-S259 PolarHBondContact O-N 3.18Å; I256-V260 HydrophobicContact CG2-CG2 4.36Å; I256-V260 VanDerWaalsContact O-CG2 3.29Å; I256-V260 WeakPolarHBondContact O-CG2 3.29Å; I256-V260 PolarHBondContact O-N 3.43Å; I256-L268 HydrophobicContact CG1-CD1 4.14Å; I256-I271 HydrophobicContact CG1-CG2 4.38Å; I256-F272 HydrophobicContact CD1-CZ 4.21Å |
| 257 | Q | 90.3 | Very high | 87.6 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 177.7 | -74.6 | 177.5 | -25.8 | 0 | 0 | 111 | E209 L253 L254 S259 V260 H261 | E209-Q257 PolarHBondContact OE1-NE2 2.88Å; L253-Q257 HydrophobicContact CD1-CG 3.89Å; L253-Q257 HydrophobicContact CG-CG 4.37Å; L253-Q257 WeakPolarHBondContact O-CB 3.4Å; L253-Q257 VanDerWaalsContact O-CG 3.31Å; L253-Q257 WeakPolarHBondContact O-CG 3.45Å; L253-Q257 PolarHBondContact O-N 3.28Å; L254-Q257 PolarHBondContact O-N 2.89Å; Q257-S259 PolarHBondContact O-N 3.22Å; Q257-V260 PolarHBondContact O-N 3.09Å; Q257-H261 PolarHBondContact O-N 2.94Å; Q257-H261 PolarHBondContact O-ND1 2.85Å |
| 258 | E | 89.1 | Confident | 87.2 | Confident | 102 Ų | 102 | 57.2 Ų | 57.2 | 48% | 0.477 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 176.8 | -74.3 | -174.6 | 177.2 | 0 | 0 | 112.2 | L254 E255 I256 Q262 | L254-E258 WeakPolarHBondContact O-CG 3.48Å; L254-E258 PolarHBondContact O-N 3.11Å; E255-E258 PolarHBondContact O-N 3.21Å; I256-E258 PolarHBondContact O-N 2.85Å; E258-Q262 VanDerWaalsContact O-CB 3.31Å; E258-Q262 WeakPolarHBondContact O-CB 3.23Å; E258-Q262 PolarHBondContact O-N 3.16Å |
| 259 | S | 87.1 | Confident | 87 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.007 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 177.1 | -176.1 | 0 | 0 | 0 | 0 | 112.7 | E255 I256 Q257 R263 G264 S265 N267 | E255-S259 WeakPolarHBondContact O-CB 3.39Å; E255-S259 PolarHBondContact O-N 3.01Å; I256-S259 PolarHBondContact O-N 3.18Å; Q257-S259 PolarHBondContact O-N 3.22Å; S259-R263 CarbonylContact O-C 3.41Å; S259-R263 PolarHBondContact O-N 3.4Å; S259-R263 VanDerWaalsContact O-N 3.15Å; S259-G264 PolarHBondContact O-N 3.34Å; S259-S265 PolarHBondContact O-N 3.49Å; S259-N267 WeakPolarHBondContact CB-OD1 3.43Å; S259-N267 PolarHBondContact OG-OD1 3.47Å |
| 260 | V | 80.8 | Confident | 86.8 | Confident | 43 Ų | 43 | 62.8 Ų | 62.8 | 26% | 0.261 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.4 | -40.7 | -178.3 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | K205 I256 Q257 | K205-V260 HydrophobicContact CD-CG1 4.42Å; I256-V260 HydrophobicContact CG2-CG2 4.36Å; I256-V260 VanDerWaalsContact O-CG2 3.29Å; I256-V260 WeakPolarHBondContact O-CG2 3.29Å; I256-V260 PolarHBondContact O-N 3.43Å; Q257-V260 PolarHBondContact O-N 3.09Å |
| 261 | H | 75.7 | Confident | 86.7 | Confident | 129 Ų | 129 | 59.3 Ų | 59.3 | 60% | 0.597 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -84.1 | -35.1 | -177 | -62.9 | 98.1 | 0 | 0 | 0 | 114.2 | K205 Q257 | K205-H261 PolarHBondContact NZ-CE1 2.92Å; K205-H261 PolarHBondContact NZ-NE2 2.86Å; Q257-H261 PolarHBondContact O-N 2.94Å; Q257-H261 PolarHBondContact O-ND1 2.85Å |
| 262 | Q | 69.2 | Low | 86.6 | Confident | 149 Ų | 149 | 58.2 Ų | 58.2 | 70% | 0.696 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -108.7 | -25.2 | -169.2 | -58.4 | -178 | 6.8 | 0 | 0 | 114.5 | E258 | E258-Q262 VanDerWaalsContact O-CB 3.31Å; E258-Q262 WeakPolarHBondContact O-CB 3.23Å; E258-Q262 PolarHBondContact O-N 3.16Å |
| 263 | R | 67.4 | Low | 86.4 | Confident | 158 Ų | 158 | 61.3 Ų | 61.3 | 60% | 0.596 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -121.9 | 10.7 | -172.4 | -62 | -169.7 | -174.8 | -158.1 | 6.5 | 114.3 | S259 S265 Q266 N267 | S259-R263 CarbonylContact O-C 3.41Å; S259-R263 PolarHBondContact O-N 3.4Å; S259-R263 VanDerWaalsContact O-N 3.15Å; R263-S265 PolarHBondContact O-N 3.29Å; R263-Q266 PolarHBondContact O-N 2.84Å; R263-N267 WeakPolarHBondContact CB-OD1 3.12Å; R263-N267 WeakPolarHBondContact CD-OD1 3.47Å |
| 264 | G | 69.1 | Low | 86.3 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 58% | 0.577 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 29.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S259 Q266 | S259-G264 PolarHBondContact O-N 3.34Å; G264-Q266 PolarHBondContact O-N 3.3Å |
| 265 | S | 78.1 | Confident | 86.3 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 7.4 | -179.9 | -46.4 | 0 | 0 | 0 | 0 | 117 | S259 R263 N267 L268 | S259-S265 PolarHBondContact O-N 3.49Å; R263-S265 PolarHBondContact O-N 3.29Å; S265-N267 PolarHBondContact O-N 3.12Å; S265-L268 VanDerWaalsContact O-CB 3.29Å; S265-L268 WeakPolarHBondContact O-CB 3.38Å; S265-L268 PolarHBondContact O-N 3.48Å |
| 266 | Q | 79.6 | Confident | 86.2 | Confident | 145 Ų | 145 | 56.3 Ų | 56.3 | 68% | 0.678 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -25.1 | -177 | -67.5 | -175.4 | -10.1 | 0 | 0 | 113.8 | R263 G264 Y269 | R263-Q266 PolarHBondContact O-N 2.84Å; G264-Q266 PolarHBondContact O-N 3.3Å; Q266-Y269 WeakPolarHBondContact O-CD1 3.38Å; Q266-Y269 VanDerWaalsContact O-CE1 3.24Å; Q266-Y269 WeakPolarHBondContact O-CE1 3.49Å |
| 267 | N | 88.3 | Confident | 86.1 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 11% | 0.112 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 5.8 | 178.9 | 70.7 | -55.4 | 0 | 0 | 0 | 113.9 | S259 R263 S265 Y269 Q270 I271 | S259-N267 WeakPolarHBondContact CB-OD1 3.43Å; S259-N267 PolarHBondContact OG-OD1 3.47Å; R263-N267 WeakPolarHBondContact CB-OD1 3.12Å; R263-N267 WeakPolarHBondContact CD-OD1 3.47Å; S265-N267 PolarHBondContact O-N 3.12Å; N267-Y269 PolarHBondContact O-N 3.32Å; N267-Q270 WeakPolarHBondContact O-CB 3.23Å; N267-Q270 PolarHBondContact O-N 3.32Å; N267-I271 PolarHBondContact O-N 2.95Å |
| 268 | L | 90.9 | Very high | 86.3 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.3 | -38.9 | -175.6 | -174.1 | 67 | 0 | 0 | 0 | 112.5 | L201 I204 I256 S265 Q270 I271 F272 L345 | L201-L268 HydrophobicContact CD2-CD2 3.6Å; I204-L268 HydrophobicContact CD1-CD2 4.44Å; I256-L268 HydrophobicContact CG1-CD1 4.14Å; S265-L268 VanDerWaalsContact O-CB 3.29Å; S265-L268 WeakPolarHBondContact O-CB 3.38Å; S265-L268 PolarHBondContact O-N 3.48Å; L268-Q270 VanDerWaalsContact C-N 3.3Å; L268-Q270 PolarHBondContact O-N 3.35Å; L268-I271 WeakPolarHBondContact O-CB 3.26Å; L268-I271 PolarHBondContact O-N 2.87Å; L268-F272 HydrophobicContact CD1-CD2 4.39Å; L268-F272 HydrophobicContact CD1-CE2 3.89Å; L268-F272 HydrophobicContact CD2-CE2 4.41Å; L268-F272 HydrophobicContact CG-CD2 4.19Å; L268-F272 HydrophobicContact CG-CE2 3.93Å; L268-F272 WeakPolarHBondContact O-CD2 3.5Å; L268-F272 PolarHBondContact O-N 2.89Å; L268-L345 HydrophobicContact CD2-CD2 3.84Å |
| 269 | Y | 93.1 | Very high | 86.6 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 18% | 0.18 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.1 | -38.3 | 177.7 | 75.7 | -84.5 | 0 | 0 | 0 | 112.8 | Q266 N267 I271 F272 I273 N357 | Q266-Y269 WeakPolarHBondContact O-CD1 3.38Å; Q266-Y269 VanDerWaalsContact O-CE1 3.24Å; Q266-Y269 WeakPolarHBondContact O-CE1 3.49Å; N267-Y269 PolarHBondContact O-N 3.32Å; Y269-I271 VanDerWaalsContact C-N 3.31Å; Y269-I271 PolarHBondContact O-N 2.86Å; Y269-F272 PolarHBondContact O-N 2.88Å; Y269-I273 HydrophobicContact CD2-CD1 3.93Å; Y269-I273 VanDerWaalsContact O-CG1 3.27Å; Y269-I273 WeakPolarHBondContact O-CG1 3.35Å; Y269-I273 PolarHBondContact O-N 3.05Å; Y269-I273 VanDerWaalsContact O-N 3.09Å; Y269-N357 WeakPolarHBondContact CB-O 3.46Å; Y269-N357 HydrophobicContact CD1-CB 3.71Å; Y269-N357 HydrophobicContact CD2-CB 3.75Å; Y269-N357 HydrophobicContact CE1-CB 3.81Å; Y269-N357 HydrophobicContact CE2-CB 3.86Å; Y269-N357 HydrophobicContact CG-CB 3.67Å |
| 270 | Q | 94.1 | Very high | 86.7 | Confident | 97 Ų | 97 | 62.4 Ų | 62.4 | 45% | 0.453 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.9 | -36 | 179.9 | -61.9 | -179.7 | -15.2 | 0 | 0 | 111.2 | N267 L268 I273 S274 | N267-Q270 WeakPolarHBondContact O-CB 3.23Å; N267-Q270 PolarHBondContact O-N 3.32Å; L268-Q270 VanDerWaalsContact C-N 3.3Å; L268-Q270 PolarHBondContact O-N 3.35Å; Q270-I273 PolarHBondContact O-N 2.92Å; Q270-S274 VanDerWaalsContact O-CB 3.32Å; Q270-S274 WeakPolarHBondContact O-CB 3.44Å; Q270-S274 PolarHBondContact O-N 3.39Å; Q270-S274 PolarHBondContact O-OG 3.46Å |
| 271 | I | 95.2 | Very high | 87.3 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.5 | -54.8 | 177.4 | -61.7 | 170.1 | 0 | 0 | 0 | 109.1 | L252 E255 I256 N267 L268 Y269 I273 S274 F275 | L252-I271 HydrophobicContact CD1-CG2 3.6Å; E255-I271 HydrophobicContact CB-CD1 4.04Å; E255-I271 HydrophobicContact CB-CG1 4.3Å; E255-I271 HydrophobicContact CB-CG2 3.94Å; E255-I271 VanDerWaalsContact O-CD1 3.27Å; E255-I271 WeakPolarHBondContact O-CD1 3.32Å; I256-I271 HydrophobicContact CG1-CG2 4.38Å; N267-I271 PolarHBondContact O-N 2.95Å; L268-I271 WeakPolarHBondContact O-CB 3.26Å; L268-I271 PolarHBondContact O-N 2.87Å; Y269-I271 VanDerWaalsContact C-N 3.31Å; Y269-I271 PolarHBondContact O-N 2.86Å; I271-I273 VanDerWaalsContact C-N 3.34Å; I271-I273 PolarHBondContact O-N 2.89Å; I271-S274 PolarHBondContact O-N 2.99Å; I271-S274 VanDerWaalsContact O-N 3.12Å; I271-S274 PolarHBondContact O-OG 3.31Å; I271-F275 HydrophobicContact CG2-CD2 3.93Å; I271-F275 HydrophobicContact CG2-CE2 4.18Å; I271-F275 WeakPolarHBondContact O-CD2 3.41Å; I271-F275 PolarHBondContact O-N 3.22Å |
| 272 | F | 95.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -40.4 | 179.5 | -78.1 | -73.3 | 0 | 0 | 0 | 113.2 | I204 I256 L268 Y269 F275 K276 Y338 L342 A361 M365 | I204-F272 HydrophobicContact CG2-CZ 4.16Å; I256-F272 HydrophobicContact CD1-CZ 4.21Å; L268-F272 HydrophobicContact CD1-CD2 4.39Å; L268-F272 HydrophobicContact CD1-CE2 3.89Å; L268-F272 HydrophobicContact CD2-CE2 4.41Å; L268-F272 HydrophobicContact CG-CD2 4.19Å; L268-F272 HydrophobicContact CG-CE2 3.93Å; L268-F272 WeakPolarHBondContact O-CD2 3.5Å; L268-F272 PolarHBondContact O-N 2.89Å; Y269-F272 PolarHBondContact O-N 2.88Å; F272-F275 PolarHBondContact O-N 2.76Å; F272-K276 PolarHBondContact O-N 3.31Å; F272-Y338 AromaticContact CE1-CD1 3.6Å; F272-Y338 HydrophobicContact CE1-CD1 3.6Å; F272-Y338 HydrophobicContact CE1-CE1 4.04Å; F272-Y338 HydrophobicContact CE1-CG 4.28Å; F272-Y338 HydrophobicContact CZ-CD1 4.26Å; F272-L342 HydrophobicContact CB-CD1 4.49Å; F272-L342 HydrophobicContact CD1-CD1 4.38Å; F272-L342 HydrophobicContact CD2-CD1 4.22Å; F272-L342 HydrophobicContact CD2-CD2 3.98Å; F272-L342 HydrophobicContact CE2-CD2 3.93Å; F272-L342 HydrophobicContact CG-CD1 4.11Å; F272-A361 HydrophobicContact CB-CB 4.08Å; F272-M365 HydrophobicContact CB-CE 4.35Å; F272-M365 HydrophobicContact CB-CG 4.47Å; F272-M365 HydrophobicContact CD1-CE 4.49Å; F272-M365 HydrophobicContact CD1-CG 4.06Å; F272-M365 HydrophobicContact CD1-SD 3.8Å; F272-M365 VanDerWaalsContact O-CE 3.29Å; F272-M365 WeakPolarHBondContact O-CE 3.46Å |
| 273 | I | 93.1 | Very high | 88.9 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 33% | 0.333 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.5 | -46.2 | 175.3 | -67.3 | 167 | 0 | 0 | 0 | 110.5 | Y269 Q270 I271 F275 K276 T360 A361 A364 | Y269-I273 HydrophobicContact CD2-CD1 3.93Å; Y269-I273 VanDerWaalsContact O-CG1 3.27Å; Y269-I273 WeakPolarHBondContact O-CG1 3.35Å; Y269-I273 PolarHBondContact O-N 3.05Å; Y269-I273 VanDerWaalsContact O-N 3.09Å; Q270-I273 PolarHBondContact O-N 2.92Å; I271-I273 VanDerWaalsContact C-N 3.34Å; I271-I273 PolarHBondContact O-N 2.89Å; I273-F275 VanDerWaalsContact C-N 3.34Å; I273-F275 PolarHBondContact O-N 2.81Å; I273-K276 VanDerWaalsContact O-CB 3.31Å; I273-K276 WeakPolarHBondContact O-CB 3.32Å; I273-K276 PolarHBondContact O-N 3.15Å; I273-T360 HydrophobicContact CD1-CG2 3.8Å; I273-A361 HydrophobicContact CG1-CB 4.27Å; I273-A364 HydrophobicContact CG1-CB 4.34Å |
| 274 | S | 94.1 | Very high | 89.9 | Confident | 66 Ų | 66 | 47.1 Ų | 47.1 | 46% | 0.462 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.5 | -30.8 | -179.5 | 74.8 | 0 | 0 | 0 | 0 | 113.5 | Q270 I271 | Q270-S274 VanDerWaalsContact O-CB 3.32Å; Q270-S274 WeakPolarHBondContact O-CB 3.44Å; Q270-S274 PolarHBondContact O-N 3.39Å; Q270-S274 PolarHBondContact O-OG 3.46Å; I271-S274 PolarHBondContact O-N 2.99Å; I271-S274 VanDerWaalsContact O-N 3.12Å; I271-S274 PolarHBondContact O-OG 3.31Å |
| 275 | F | 95.5 | Very high | 91 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -84.1 | -15.8 | 178.4 | -88.8 | -100.2 | 0 | 0 | 0 | 113.4 | V248 G251 L252 E255 I271 F272 I273 E277 R278 L279 | V248-F275 HydrophobicContact CG1-CD1 4.08Å; V248-F275 HydrophobicContact CG1-CE1 4.31Å; V248-F275 WeakPolarHBondContact O-CE1 3.34Å; G251-F275 VanDerWaalsContact C-CZ 3.48Å; L252-F275 HydrophobicContact CB-CD1 3.81Å; L252-F275 HydrophobicContact CB-CE1 3.64Å; L252-F275 HydrophobicContact CB-CG 4.43Å; L252-F275 HydrophobicContact CB-CZ 4.13Å; L252-F275 HydrophobicContact CD1-CB 4.19Å; L252-F275 HydrophobicContact CD1-CD1 4.04Å; L252-F275 HydrophobicContact CD1-CD2 3.96Å; L252-F275 HydrophobicContact CD1-CE1 4.42Å; L252-F275 HydrophobicContact CD1-CE2 4.33Å; L252-F275 HydrophobicContact CD1-CG 3.79Å; L252-F275 HydrophobicContact CG-CD1 4.37Å; L252-F275 VanDerWaalsContact N-CE1 3.34Å; E255-F275 HydrophobicContact CB-CE2 4.5Å; E255-F275 HydrophobicContact CG-CE2 4.12Å; E255-F275 HydrophobicContact CG-CZ 4.4Å; I271-F275 HydrophobicContact CG2-CD2 3.93Å; I271-F275 HydrophobicContact CG2-CE2 4.18Å; I271-F275 WeakPolarHBondContact O-CD2 3.41Å; I271-F275 PolarHBondContact O-N 3.22Å; F272-F275 PolarHBondContact O-N 2.76Å; I273-F275 VanDerWaalsContact C-N 3.34Å; I273-F275 PolarHBondContact O-N 2.81Å; F275-E277 VanDerWaalsContact C-N 3.3Å; F275-E277 PolarHBondContact O-N 3.08Å; F275-R278 HydrophobicContact CD1-CB 4.36Å; F275-R278 CarbonylContact O-C 3.55Å; F275-R278 WeakPolarHBondContact O-CA 3.27Å; F275-R278 WeakPolarHBondContact O-CB 3.38Å; F275-R278 PolarHBondContact O-N 3.42Å; F275-L279 HydrophobicContact CB-CD1 4.22Å; F275-L279 HydrophobicContact CB-CG 4.47Å; F275-L279 VanDerWaalsContact O-CG 3.29Å; F275-L279 WeakPolarHBondContact O-CG 3.38Å; F275-L279 PolarHBondContact O-N 3.48Å |
| 276 | K | 92.2 | Very high | 91.4 | Very high | 30 Ų | 30 | 44.2 Ų | 44.2 | 13% | 0.13 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -53.5 | 177.9 | -176.6 | -167.7 | -179.6 | 179.6 | 0 | 112.3 | F272 I273 R278 L279 L280 A364 M365 D367 | F272-K276 PolarHBondContact O-N 3.31Å; I273-K276 VanDerWaalsContact O-CB 3.31Å; I273-K276 WeakPolarHBondContact O-CB 3.32Å; I273-K276 PolarHBondContact O-N 3.15Å; K276-R278 PolarHBondContact O-N 3.31Å; K276-L279 PolarHBondContact O-N 2.81Å; K276-L280 WeakPolarHBondContact O-CG 3.44Å; K276-L280 PolarHBondContact O-N 3.44Å; K276-A364 HydrophobicContact CD-CB 4.01Å; K276-M365 HydrophobicContact CB-CE 4.01Å; K276-M365 HydrophobicContact CG-CE 4.37Å; K276-D367 WeakPolarHBondContact CE-OD2 3.36Å; K276-D367 IonicContact NZ-OD2 3.65Å; K276-D367 PolarHBondContact NZ-OD2 3.04Å |
| 277 | E | 89.3 | Confident | 91.5 | Very high | 144 Ų | 144 | 37.9 Ų | 37.9 | 67% | 0.673 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -37.3 | -178.9 | -67 | -172.3 | 170.8 | 0 | 0 | 112.7 | F275 L279 L280 | F275-E277 VanDerWaalsContact C-N 3.3Å; F275-E277 PolarHBondContact O-N 3.08Å; E277-L279 VanDerWaalsContact C-N 3.26Å; E277-L279 PolarHBondContact O-N 3.14Å; E277-L280 WeakPolarHBondContact O-CB 3.32Å; E277-L280 PolarHBondContact O-N 2.93Å |
| 278 | R | 94.1 | Very high | 91.5 | Very high | 138 Ų | 138 | 40.8 Ų | 40.8 | 52% | 0.521 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -66.5 | -30.6 | 177.7 | -59.7 | -179.7 | -178.2 | 178 | 0.5 | 111.8 | V248 F275 K276 L280 I281 | V248-R278 HydrophobicContact CG1-CB 4.1Å; V248-R278 HydrophobicContact CG2-CB 4.4Å; F275-R278 HydrophobicContact CD1-CB 4.36Å; F275-R278 CarbonylContact O-C 3.55Å; F275-R278 WeakPolarHBondContact O-CA 3.27Å; F275-R278 WeakPolarHBondContact O-CB 3.38Å; F275-R278 PolarHBondContact O-N 3.42Å; K276-R278 PolarHBondContact O-N 3.31Å; R278-L280 VanDerWaalsContact C-N 3.29Å; R278-L280 PolarHBondContact O-N 3.43Å; R278-I281 WeakPolarHBondContact O-CG1 3.4Å |
| 279 | L | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -79 | -6.2 | 177.4 | -65 | 166.7 | 0 | 0 | 0 | 112.8 | V248 F275 K276 E277 I281 Y282 M365 L368 | V248-L279 HydrophobicContact CG1-CD2 3.95Å; F275-L279 HydrophobicContact CB-CD1 4.22Å; F275-L279 HydrophobicContact CB-CG 4.47Å; F275-L279 VanDerWaalsContact O-CG 3.29Å; F275-L279 WeakPolarHBondContact O-CG 3.38Å; F275-L279 PolarHBondContact O-N 3.48Å; K276-L279 PolarHBondContact O-N 2.81Å; E277-L279 VanDerWaalsContact C-N 3.26Å; E277-L279 PolarHBondContact O-N 3.14Å; L279-I281 PolarHBondContact O-N 2.97Å; L279-Y282 HydrophobicContact CB-CD2 4.26Å; L279-Y282 HydrophobicContact CD2-CD2 4.21Å; L279-Y282 HydrophobicContact CD2-CE2 3.7Å; L279-Y282 WeakPolarHBondContact O-CB 3.22Å; L279-Y282 WeakPolarHBondContact O-CD2 3.4Å; L279-Y282 PolarHBondContact O-N 2.85Å; L279-M365 HydrophobicContact CD1-CE 4.3Å; L279-M365 HydrophobicContact CD1-SD 4.2Å; L279-L368 HydrophobicContact CB-CD1 4.13Å; L279-L368 HydrophobicContact CB-CD2 3.59Å; L279-L368 HydrophobicContact CD1-CD2 3.76Å; L279-L368 HydrophobicContact CG-CD2 4.29Å |
| 280 | L | 91 | Very high | 90.6 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -68.6 | -10.6 | 178.7 | -63.4 | 170.6 | 0 | 0 | 0 | 113.8 | K276 E277 R278 Y282 G283 L368 Y371 I528 L537 | K276-L280 WeakPolarHBondContact O-CG 3.44Å; K276-L280 PolarHBondContact O-N 3.44Å; E277-L280 WeakPolarHBondContact O-CB 3.32Å; E277-L280 PolarHBondContact O-N 2.93Å; R278-L280 VanDerWaalsContact C-N 3.29Å; R278-L280 PolarHBondContact O-N 3.43Å; L280-Y282 PolarHBondContact O-N 2.63Å; L280-G283 PolarHBondContact O-N 2.81Å; L280-L368 HydrophobicContact CD2-CD1 3.65Å; L280-L368 HydrophobicContact CG-CD1 4.47Å; L280-Y371 HydrophobicContact CB-CE1 4.14Å; L280-Y371 HydrophobicContact CD2-CD1 3.44Å; L280-Y371 VanDerWaalsContact CD2-CD1 3.44Å; L280-Y371 HydrophobicContact CD2-CD2 4.37Å; L280-Y371 HydrophobicContact CD2-CE1 3.68Å; L280-Y371 HydrophobicContact CD2-CG 3.81Å; L280-I528 HydrophobicContact CB-CD1 3.54Å; L280-I528 HydrophobicContact CD1-CD1 4.27Å; L280-I528 HydrophobicContact CD1-CG2 3.4Å; L280-L537 HydrophobicContact CD1-CD1 3.92Å; L280-L537 HydrophobicContact CD1-CD2 3.66Å; L280-L537 HydrophobicContact CD1-CG 4.46Å; L280-L537 HydrophobicContact CD2-CD1 3.4Å; L280-L537 HydrophobicContact CG-CD1 4.31Å |
| 281 | I | 92.8 | Very high | 90.1 | Very high | 46 Ų | 46 | 39.9 Ų | 39.9 | 24% | 0.236 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -60.7 | -18.3 | 168.6 | 66.9 | 174.6 | 0 | 0 | 0 | 113 | N241 E244 L245 V248 R278 L279 G283 K284 Y285 | N241-I281 PolarHBondContact ND2-O 3.45Å; E244-I281 HydrophobicContact CB-CD1 3.94Å; L245-I281 HydrophobicContact CD2-CD1 3.75Å; L245-I281 HydrophobicContact CD2-CG1 3.81Å; L245-I281 HydrophobicContact CG-CD1 4.25Å; V248-I281 HydrophobicContact CB-CD1 4.25Å; V248-I281 HydrophobicContact CG2-CD1 3.7Å; R278-I281 WeakPolarHBondContact O-CG1 3.4Å; L279-I281 PolarHBondContact O-N 2.97Å; I281-G283 PolarHBondContact O-N 3Å; I281-K284 PolarHBondContact O-N 3.5Å; I281-Y285 PolarHBondContact O-N 3.23Å |
| 282 | Y | 92.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.1 | -27.7 | 170.1 | -84.1 | -80.6 | 0 | 0 | 0 | 112.9 | Y211 L245 H249 L279 L280 K284 Y285 C286 P331 V335 | Y211-Y282 WeakPolarHBondContact CE1-OH 3.3Å; Y211-Y282 PolarHBondContact OH-OH 3.34Å; L245-Y282 HydrophobicContact CD1-CE1 4.38Å; L245-Y282 HydrophobicContact CD2-CD1 4.09Å; L245-Y282 HydrophobicContact CD2-CD2 3.9Å; L245-Y282 HydrophobicContact CD2-CE1 3.78Å; L245-Y282 HydrophobicContact CD2-CE2 3.56Å; L245-Y282 HydrophobicContact CD2-CG 4.15Å; H249-Y282 PolarHBondContact CD2-OH 3.47Å; H249-Y282 PolarHBondContact CE1-OH 2.73Å; H249-Y282 AromaticContact NE2-CE2 3.28Å; H249-Y282 VanDerWaalsContact NE2-CE2 3.28Å; H249-Y282 WeakPolarHBondContact NE2-CE2 3.49Å; H249-Y282 AromaticContact NE2-CZ 3.39Å; H249-Y282 PolarHBondContact NE2-OH 3.06Å; L279-Y282 HydrophobicContact CB-CD2 4.26Å; L279-Y282 HydrophobicContact CD2-CD2 4.21Å; L279-Y282 HydrophobicContact CD2-CE2 3.7Å; L279-Y282 WeakPolarHBondContact O-CB 3.22Å; L279-Y282 WeakPolarHBondContact O-CD2 3.4Å; L279-Y282 PolarHBondContact O-N 2.85Å; L280-Y282 PolarHBondContact O-N 2.63Å; Y282-K284 VanDerWaalsContact C-N 3.31Å; Y282-K284 PolarHBondContact O-N 2.71Å; Y282-Y285 PolarHBondContact O-N 2.76Å; Y282-C286 WeakPolarHBondContact O-CB 3.48Å; Y282-C286 PolarHBondContact O-N 3.49Å; Y282-C286 PolarHBondContact O-SG 3.33Å; Y282-C286 VanDerWaalsContact O-SG 3.34Å; Y282-P331 HydrophobicContact CE1-CB 3.8Å; Y282-P331 WeakPolarHBondContact CE1-O 3.47Å; Y282-V335 HydrophobicContact CD1-CB 3.85Å; Y282-V335 HydrophobicContact CD1-CG1 3.93Å; Y282-V335 HydrophobicContact CD1-CG2 4.31Å; Y282-V335 HydrophobicContact CD2-CB 4.18Å; Y282-V335 HydrophobicContact CD2-CG2 3.89Å; Y282-V335 HydrophobicContact CE1-CB 3.96Å; Y282-V335 HydrophobicContact CE1-CG1 4.34Å; Y282-V335 HydrophobicContact CE2-CB 4.3Å; Y282-V335 HydrophobicContact CE2-CG2 4.31Å; Y282-V335 HydrophobicContact CG-CB 3.96Å; Y282-V335 HydrophobicContact CG-CG1 4.26Å; Y282-V335 HydrophobicContact CG-CG2 3.89Å |
| 283 | G | 86.2 | Confident | 89.4 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.2 | -43.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | L280 I281 S287 V375 | L280-G283 PolarHBondContact O-N 2.81Å; I281-G283 PolarHBondContact O-N 3Å; G283-S287 WeakPolarHBondContact O-CB 3.43Å; G283-S287 PolarHBondContact O-N 2.85Å; G283-S287 PolarHBondContact O-OG 3.03Å; G283-V375 WeakPolarHBondContact O-CG1 3.42Å |
| 284 | K | 88.3 | Confident | 89 | Confident | 110 Ų | 110 | 39.8 Ų | 39.8 | 48% | 0.478 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 174.5 | -177.4 | -176.8 | 174.6 | -169.8 | 0 | 111 | V240 N241 I281 Y282 S287 H288 | V240-K284 HydrophobicContact CG1-CG 4.09Å; N241-K284 HydrophobicContact CB-CD 4.12Å; I281-K284 PolarHBondContact O-N 3.5Å; Y282-K284 VanDerWaalsContact C-N 3.31Å; Y282-K284 PolarHBondContact O-N 2.71Å; K284-S287 PolarHBondContact O-OG 3.45Å; K284-H288 PolarHBondContact O-N 3.17Å; K284-H288 PolarHBondContact O-ND1 3.21Å |
| 285 | Y | 91.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.1 | -56.1 | -178.7 | -169.3 | -96.7 | 0 | 0 | 0 | 112 | V240 N241 I242 L245 I281 Y282 S287 H288 V289 L328 P331 | V240-Y285 HydrophobicContact CB-CD2 4.13Å; V240-Y285 HydrophobicContact CB-CE2 4.45Å; N241-Y285 WeakPolarHBondContact OD1-CA 3.3Å; N241-Y285 WeakPolarHBondContact OD1-CB 3.38Å; N241-Y285 PolarHBondContact OD1-N 3.19Å; I242-Y285 HydrophobicContact CD1-CD2 4.32Å; I242-Y285 HydrophobicContact CD1-CE2 3.45Å; I242-Y285 VanDerWaalsContact CD1-CE2 3.45Å; I242-Y285 HydrophobicContact CG1-CE2 3.74Å; L245-Y285 HydrophobicContact CD1-CD1 4.42Å; L245-Y285 HydrophobicContact CD1-CD2 3.68Å; L245-Y285 HydrophobicContact CD1-CE2 4.19Å; L245-Y285 HydrophobicContact CD1-CG 3.81Å; I281-Y285 PolarHBondContact O-N 3.23Å; Y282-Y285 PolarHBondContact O-N 2.76Å; Y285-S287 VanDerWaalsContact C-N 3.29Å; Y285-S287 PolarHBondContact O-N 3.11Å; Y285-H288 PolarHBondContact O-N 3.06Å; Y285-V289 HydrophobicContact CD1-CB 4.42Å; Y285-V289 HydrophobicContact CE1-CB 4.06Å; Y285-V289 HydrophobicContact CE1-CG2 3.85Å; Y285-V289 PolarHBondContact O-N 3.16Å; Y285-L328 WeakPolarHBondContact CE1-O 3.49Å; Y285-L328 WeakPolarHBondContact OH-CA 3.43Å; Y285-L328 PolarHBondContact OH-O 2.88Å; Y285-P331 HydrophobicContact CD1-CB 3.87Å; Y285-P331 HydrophobicContact CD1-CG 4.49Å; Y285-P331 HydrophobicContact CE1-CB 3.53Å; Y285-P331 HydrophobicContact CE1-CG 3.71Å |
| 286 | C | 85.9 | Confident | 88.8 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.7 | -26.7 | -174.6 | -64.6 | 0 | 0 | 0 | 0 | 113.6 | Y282 H288 V372 | Y282-C286 WeakPolarHBondContact O-CB 3.48Å; Y282-C286 PolarHBondContact O-N 3.49Å; Y282-C286 PolarHBondContact O-SG 3.33Å; Y282-C286 VanDerWaalsContact O-SG 3.34Å; C286-H288 VanDerWaalsContact C-N 3.34Å; C286-V372 HydrophobicContact CB-CG1 3.64Å; C286-V372 VanDerWaalsContact SG-CG1 3.5Å |
| 287 | S | 83.1 | Confident | 88.5 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -74 | -23.3 | 173.2 | 46.3 | 0 | 0 | 0 | 0 | 113.8 | G283 K284 Y285 N379 | G283-S287 WeakPolarHBondContact O-CB 3.43Å; G283-S287 PolarHBondContact O-N 2.85Å; G283-S287 PolarHBondContact O-OG 3.03Å; K284-S287 PolarHBondContact O-OG 3.45Å; Y285-S287 VanDerWaalsContact C-N 3.29Å; Y285-S287 PolarHBondContact O-N 3.11Å; S287-N379 WeakPolarHBondContact CB-ND2 3.27Å |
| 288 | H | 86.8 | Confident | 88.5 | Confident | 82 Ų | 82 | 37.1 Ų | 37.1 | 38% | 0.38 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -111.3 | -17.5 | -173.5 | -66.8 | 80.2 | 0 | 0 | 0 | 114 | V240 K284 Y285 C286 E290 T291 A292 | V240-H288 HydrophobicContact CG1-CB 3.88Å; V240-H288 HydrophobicContact CG2-CB 3.85Å; K284-H288 PolarHBondContact O-N 3.17Å; K284-H288 PolarHBondContact O-ND1 3.21Å; Y285-H288 PolarHBondContact O-N 3.06Å; C286-H288 VanDerWaalsContact C-N 3.34Å; H288-E290 VanDerWaalsContact C-N 3.28Å; H288-E290 PolarHBondContact O-N 3.48Å; H288-T291 CarbonylContact O-C 3.51Å; H288-T291 WeakPolarHBondContact O-CA 3.37Å; H288-T291 WeakPolarHBondContact O-CB 3.02Å; H288-T291 PolarHBondContact O-N 2.89Å; H288-A292 PolarHBondContact O-N 3.45Å |
| 289 | V | 86 | Confident | 88.4 | Confident | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.036 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.5 | -38 | -175.7 | 68.7 | 0 | 0 | 0 | 0 | 113.4 | Y285 T291 A292 I293 L328 M332 | Y285-V289 HydrophobicContact CD1-CB 4.42Å; Y285-V289 HydrophobicContact CE1-CB 4.06Å; Y285-V289 HydrophobicContact CE1-CG2 3.85Å; Y285-V289 PolarHBondContact O-N 3.16Å; V289-T291 VanDerWaalsContact C-N 3.34Å; V289-T291 PolarHBondContact O-N 3.44Å; V289-A292 WeakPolarHBondContact O-CB 3.22Å; V289-A292 PolarHBondContact O-N 3.32Å; V289-I293 HydrophobicContact CG2-CD1 4.23Å; V289-I293 WeakPolarHBondContact O-CG1 3.47Å; V289-I293 PolarHBondContact O-N 3.45Å; V289-L328 HydrophobicContact CG2-CB 4.44Å; V289-L328 VanDerWaalsContact CG2-O 3.22Å; V289-L328 WeakPolarHBondContact CG2-O 3.43Å; V289-M332 HydrophobicContact CG1-SD 4.36Å |
| 290 | E | 78.8 | Confident | 88.2 | Confident | 52 Ų | 52 | 32.2 Ų | 32.2 | 24% | 0.243 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.1 | -68.8 | 175.1 | 178.8 | 0 | 0 | 112 | H288 T294 K376 R383 | H288-E290 VanDerWaalsContact C-N 3.28Å; H288-E290 PolarHBondContact O-N 3.48Å; E290-T294 PolarHBondContact O-N 3.39Å; E290-T294 PolarHBondContact O-OG1 3.16Å; E290-K376 WeakPolarHBondContact OE1-CE 3.28Å; E290-K376 IonicContact OE1-NZ 3.66Å; E290-K376 PolarHBondContact OE1-NZ 3.31Å; E290-R383 IonicContact OE2-CZ 3.53Å; E290-R383 IonicContact OE2-NH1 2.73Å; E290-R383 PolarHBondContact OE2-NH1 2.93Å; E290-R383 IonicContact OE2-NH2 3.72Å; E290-R383 PolarHBondContact OE2-NH2 3.45Å; E290-R383 VanDerWaalsContact OE2-NH2 3.15Å |
| 291 | T | 85.2 | Confident | 88.1 | Confident | 67 Ų | 67 | 39.7 Ų | 39.7 | 41% | 0.411 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70.5 | -37.5 | 177.5 | -54.6 | 0 | 0 | 0 | 0 | 110.8 | H288 V289 T294 T295 | H288-T291 CarbonylContact O-C 3.51Å; H288-T291 WeakPolarHBondContact O-CA 3.37Å; H288-T291 WeakPolarHBondContact O-CB 3.02Å; H288-T291 PolarHBondContact O-N 2.89Å; V289-T291 VanDerWaalsContact C-N 3.34Å; V289-T291 PolarHBondContact O-N 3.44Å; T291-T294 PolarHBondContact O-N 3.38Å; T291-T295 WeakPolarHBondContact O-CB 3.14Å; T291-T295 PolarHBondContact O-N 2.85Å; T291-T295 PolarHBondContact O-OG1 2.63Å |
| 292 | A | 89.9 | Confident | 88.1 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.5 | -48 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K237 V238 V240 H288 V289 T295 L296 | K237-A292 WeakPolarHBondContact O-CA 3.49Å; K237-A292 WeakPolarHBondContact O-CB 3.47Å; V238-A292 WeakPolarHBondContact O-CB 3.34Å; V240-A292 HydrophobicContact CG2-CB 4.03Å; H288-A292 PolarHBondContact O-N 3.45Å; V289-A292 WeakPolarHBondContact O-CB 3.22Å; V289-A292 PolarHBondContact O-N 3.32Å; A292-T295 PolarHBondContact O-N 2.81Å; A292-L296 WeakPolarHBondContact O-CB 3.24Å; A292-L296 PolarHBondContact O-N 2.79Å |
| 293 | I | 86.3 | Confident | 88.3 | Confident | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.087 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.4 | -47.5 | 176.2 | -69.3 | 166.5 | 0 | 0 | 0 | 110.9 | V289 T295 L296 D297 R325 L328 V329 | V289-I293 HydrophobicContact CG2-CD1 4.23Å; V289-I293 WeakPolarHBondContact O-CG1 3.47Å; V289-I293 PolarHBondContact O-N 3.45Å; I293-T295 VanDerWaalsContact C-N 3.27Å; I293-T295 PolarHBondContact O-N 2.83Å; I293-L296 WeakPolarHBondContact O-CB 3.2Å; I293-L296 PolarHBondContact O-N 2.91Å; I293-L296 VanDerWaalsContact O-N 3.16Å; I293-D297 VanDerWaalsContact O-CG 3.25Å; I293-D297 PolarHBondContact O-N 3.44Å; I293-R325 HydrophobicContact CG2-CG 3.98Å; I293-L328 HydrophobicContact CG1-CB 4.45Å; I293-V329 HydrophobicContact CD1-CG2 3.79Å |
| 294 | T | 83.7 | Confident | 88.7 | Confident | 53 Ų | 53 | 51.3 Ų | 51.3 | 33% | 0.325 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.5 | -40.5 | 177.2 | -53.1 | 0 | 0 | 0 | 0 | 111.9 | K59 E290 T291 D297 D298 | K59-T294 WeakPolarHBondContact CD-OG1 3.45Å; K59-T294 PolarHBondContact NZ-OG1 3.49Å; E290-T294 PolarHBondContact O-N 3.39Å; E290-T294 PolarHBondContact O-OG1 3.16Å; T291-T294 PolarHBondContact O-N 3.38Å; T294-D297 PolarHBondContact O-N 2.89Å; T294-D298 WeakPolarHBondContact O-CB 3.4Å; T294-D298 PolarHBondContact O-N 3.18Å |
| 295 | T | 91.6 | Very high | 89 | Confident | 30 Ų | 30 | 49.7 Ų | 49.7 | 18% | 0.184 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.6 | -42.9 | 177.5 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | K237 V238 T291 A292 I293 D298 I299 | K237-T295 HydrophobicContact CB-CG2 4.33Å; K237-T295 HydrophobicContact CD-CG2 4.49Å; V238-T295 HydrophobicContact CG2-CG2 4.09Å; T291-T295 WeakPolarHBondContact O-CB 3.14Å; T291-T295 PolarHBondContact O-N 2.85Å; T291-T295 PolarHBondContact O-OG1 2.63Å; A292-T295 PolarHBondContact O-N 2.81Å; I293-T295 VanDerWaalsContact C-N 3.27Å; I293-T295 PolarHBondContact O-N 2.83Å; T295-D298 PolarHBondContact O-N 3.32Å; T295-I299 HydrophobicContact CG2-CD1 3.93Å; T295-I299 WeakPolarHBondContact O-CB 3.37Å; T295-I299 WeakPolarHBondContact O-CD1 3.35Å; T295-I299 WeakPolarHBondContact O-CG1 3.46Å; T295-I299 PolarHBondContact O-N 2.98Å |
| 296 | L | 93.5 | Very high | 89.2 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -46.8 | 175.5 | -179.8 | 63.5 | 0 | 0 | 0 | 111.1 | F230 V238 A292 I293 D298 I299 C300 L310 L324 R325 L328 | F230-L296 HydrophobicContact CZ-CD1 4.06Å; V238-L296 HydrophobicContact CG1-CB 4.32Å; V238-L296 HydrophobicContact CG1-CD1 4.25Å; V238-L296 HydrophobicContact CG2-CB 4.35Å; A292-L296 WeakPolarHBondContact O-CB 3.24Å; A292-L296 PolarHBondContact O-N 2.79Å; I293-L296 WeakPolarHBondContact O-CB 3.2Å; I293-L296 PolarHBondContact O-N 2.91Å; I293-L296 VanDerWaalsContact O-N 3.16Å; L296-D298 PolarHBondContact O-N 2.95Å; L296-I299 PolarHBondContact O-N 3.27Å; L296-C300 WeakPolarHBondContact O-CB 3.14Å; L296-C300 PolarHBondContact O-N 3.25Å; L296-C300 PolarHBondContact O-SG 2.93Å; L296-L310 HydrophobicContact CD1-CD1 3.8Å; L296-L310 HydrophobicContact CD1-CD2 4.4Å; L296-L324 HydrophobicContact CD1-CD2 4.18Å; L296-L324 HydrophobicContact CD2-CB 4.2Å; L296-L324 HydrophobicContact CD2-CD2 3.93Å; L296-L324 HydrophobicContact CD2-CG 3.93Å; L296-R325 HydrophobicContact CD2-CB 4.47Å; L296-L328 HydrophobicContact CD2-CD1 4.17Å |
| 297 | D | 86.3 | Confident | 89.6 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 35% | 0.348 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 179.7 | -68 | -23.7 | 0 | 0 | 0 | 111.1 | I293 T294 C300 K301 R325 | I293-D297 VanDerWaalsContact O-CG 3.25Å; I293-D297 PolarHBondContact O-N 3.44Å; T294-D297 PolarHBondContact O-N 2.89Å; D297-C300 PolarHBondContact O-N 2.88Å; D297-K301 WeakPolarHBondContact O-CB 3.39Å; D297-K301 PolarHBondContact O-N 3.45Å; D297-R325 IonicContact OD1-NE 3.99Å; D297-R325 IonicContact OD2-NE 2.67Å |
| 298 | D | 88.9 | Confident | 90.1 | Very high | 88 Ų | 88 | 59.3 Ų | 59.3 | 47% | 0.471 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 177.2 | -171.2 | 60.4 | 0 | 0 | 0 | 112.2 | T294 T295 L296 C300 K301 H302 | T294-D298 WeakPolarHBondContact O-CB 3.4Å; T294-D298 PolarHBondContact O-N 3.18Å; T295-D298 PolarHBondContact O-N 3.32Å; L296-D298 PolarHBondContact O-N 2.95Å; D298-C300 PolarHBondContact O-N 2.78Å; D298-K301 WeakPolarHBondContact O-CB 3.42Å; D298-K301 PolarHBondContact O-N 3.12Å; D298-H302 PolarHBondContact O-CD2 2.91Å; D298-H302 VanDerWaalsContact O-CD2 3.3Å; D298-H302 PolarHBondContact O-N 3.37Å; D298-H302 IonicContact OD1-CD2 3.71Å; D298-H302 IonicContact OD1-NE2 3.38Å |
| 299 | I | 93.1 | Very high | 90.6 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.051 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 173.4 | -67.6 | 166.7 | 0 | 0 | 0 | 109.8 | F230 E234 V238 T295 L296 K301 H302 R303 V306 | F230-I299 HydrophobicContact CE1-CG2 4.03Å; F230-I299 HydrophobicContact CE2-CD1 4.36Å; F230-I299 HydrophobicContact CZ-CD1 4.26Å; F230-I299 HydrophobicContact CZ-CG2 4.31Å; E234-I299 HydrophobicContact CB-CD1 4.16Å; E234-I299 HydrophobicContact CG-CD1 3.92Å; V238-I299 HydrophobicContact CG2-CD1 4.28Å; T295-I299 HydrophobicContact CG2-CD1 3.93Å; T295-I299 WeakPolarHBondContact O-CB 3.37Å; T295-I299 WeakPolarHBondContact O-CD1 3.35Å; T295-I299 WeakPolarHBondContact O-CG1 3.46Å; T295-I299 PolarHBondContact O-N 2.98Å; L296-I299 PolarHBondContact O-N 3.27Å; I299-K301 PolarHBondContact O-N 3.05Å; I299-H302 PolarHBondContact O-N 3.49Å; I299-H302 VanDerWaalsContact O-N 3.16Å; I299-R303 HydrophobicContact CG2-CB 4.4Å; I299-R303 VanDerWaalsContact O-CB 3.29Å; I299-R303 WeakPolarHBondContact O-CB 3.35Å; I299-R303 PolarHBondContact O-N 3.42Å; I299-V306 HydrophobicContact CG2-CB 4.16Å; I299-V306 HydrophobicContact CG2-CG1 3.79Å; I299-V306 HydrophobicContact CG2-CG2 4.05Å |
| 300 | C | 90.7 | Very high | 91 | Very high | 25 Ų | 25 | 57.2 Ų | 57.2 | 17% | 0.169 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.6 | -33 | -179.7 | -65.9 | 0 | 0 | 0 | 0 | 112.9 | L296 D297 D298 H302 L310 | L296-C300 WeakPolarHBondContact O-CB 3.14Å; L296-C300 PolarHBondContact O-N 3.25Å; L296-C300 PolarHBondContact O-SG 2.93Å; D297-C300 PolarHBondContact O-N 2.88Å; D298-C300 PolarHBondContact O-N 2.78Å; C300-H302 VanDerWaalsContact C-N 3.33Å; C300-L310 WeakPolarHBondContact SG-CD1 3.36Å |
| 301 | K | 89.3 | Confident | 91.7 | Very high | 161 Ų | 161 | 59 Ų | 59 | 70% | 0.7 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67.8 | -34.6 | 178.2 | -174 | -179.9 | -179.7 | -178.4 | 0 | 112.2 | D297 D298 I299 | D297-K301 WeakPolarHBondContact O-CB 3.39Å; D297-K301 PolarHBondContact O-N 3.45Å; D298-K301 WeakPolarHBondContact O-CB 3.42Å; D298-K301 PolarHBondContact O-N 3.12Å; I299-K301 PolarHBondContact O-N 3.05Å |
| 302 | H | 92.9 | Very high | 92.2 | Very high | 132 Ų | 132 | 58.9 Ų | 58.9 | 61% | 0.611 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -103.8 | -15.6 | -173.4 | -68.3 | -55.6 | 0 | 0 | 0 | 114.3 | D298 I299 C300 | D298-H302 PolarHBondContact O-CD2 2.91Å; D298-H302 VanDerWaalsContact O-CD2 3.3Å; D298-H302 PolarHBondContact O-N 3.37Å; D298-H302 IonicContact OD1-CD2 3.71Å; D298-H302 IonicContact OD1-NE2 3.38Å; I299-H302 PolarHBondContact O-N 3.49Å; I299-H302 VanDerWaalsContact O-N 3.16Å; C300-H302 VanDerWaalsContact C-N 3.33Å |
| 303 | R | 95.6 | Very high | 92.5 | Very high | 66 Ų | 66 | 59 Ų | 59 | 25% | 0.249 | 28% | 0.283 | C | S | . | . | trans | -128.1 | 96.5 | -173.5 | -67.8 | -173.6 | 56.9 | -167.2 | -3.3 | 112.2 | F229 E234 I299 D305 V306 R307 | F229-R303 VanDerWaalsContact O-CZ 3.24Å; F229-R303 PolarHBondContact O-NH1 2.95Å; F229-R303 PolarHBondContact O-NH2 2.91Å; E234-R303 IonicContact OE1-NH1 3.64Å; E234-R303 IonicContact OE2-NH1 3.14Å; I299-R303 HydrophobicContact CG2-CB 4.4Å; I299-R303 VanDerWaalsContact O-CB 3.29Å; I299-R303 WeakPolarHBondContact O-CB 3.35Å; I299-R303 PolarHBondContact O-N 3.42Å; R303-D305 VanDerWaalsContact C-N 3.32Å; R303-D305 WeakPolarHBondContact CB-OD1 3.45Å; R303-D305 IonicContact CZ-OD2 2.65Å; R303-D305 IonicContact NE-OD1 3.84Å; R303-D305 IonicContact NE-OD2 2.98Å; R303-D305 IonicContact NH2-OD2 3.86Å; R303-D305 PolarHBondContact NH2-OD2 2.89Å; R303-D305 PolarHBondContact O-N 3.37Å; R303-V306 HydrophobicContact CB-CB 4.02Å; R303-V306 HydrophobicContact CB-CG2 3.93Å; R303-V306 WeakPolarHBondContact O-CB 3.43Å; R303-V306 PolarHBondContact O-N 2.94Å; R303-R307 PolarHBondContact O-N 3.26Å; R303-R307 VanDerWaalsContact O-N 3.14Å | ||
| 304 | E | 94.8 | Very high | 92.8 | Very high | 94 Ų | 94 | 58.6 Ų | 58.6 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.5 | -39 | 179.3 | -171.6 | 61.4 | -139.5 | 0 | 0 | 112.9 | V306 R307 M308 | E304-V306 VanDerWaalsContact C-N 3.27Å; E304-V306 PolarHBondContact O-N 3.11Å; E304-R307 VanDerWaalsContact CD-CZ 3.47Å; E304-R307 PolarHBondContact O-N 3.41Å; E304-R307 IonicContact OE1-CZ 3.94Å; E304-R307 IonicContact OE1-NE 2.65Å; E304-R307 PolarHBondContact OE1-NE 2.96Å; E304-R307 VanDerWaalsContact OE1-NE 3.15Å; E304-R307 IonicContact OE1-NH2 3.11Å; E304-R307 PolarHBondContact OE1-NH2 2.98Å; E304-R307 IonicContact OE2-CZ 3.67Å; E304-R307 IonicContact OE2-NE 3.11Å; E304-R307 IonicContact OE2-NH1 3.9Å; E304-R307 IonicContact OE2-NH2 3.58Å; E304-R307 PolarHBondContact OE2-NH2 3.33Å; E304-M308 WeakPolarHBondContact O-CG 3.34Å; E304-M308 PolarHBondContact O-N 3.26Å |
| 305 | D | 95.3 | Very high | 93.2 | Very high | 76 Ų | 76 | 62.1 Ų | 62.1 | 41% | 0.406 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.1 | -42.3 | 177 | 61.1 | -49.4 | 0 | 0 | 0 | 111.6 | F229 R303 K309 | F229-D305 HydrophobicContact CE1-CB 4.43Å; R303-D305 VanDerWaalsContact C-N 3.32Å; R303-D305 WeakPolarHBondContact CB-OD1 3.45Å; R303-D305 IonicContact CZ-OD2 2.65Å; R303-D305 IonicContact NE-OD1 3.84Å; R303-D305 IonicContact NE-OD2 2.98Å; R303-D305 IonicContact NH2-OD2 3.86Å; R303-D305 PolarHBondContact NH2-OD2 2.89Å; R303-D305 PolarHBondContact O-N 3.37Å; D305-K309 WeakPolarHBondContact O-CB 3.29Å; D305-K309 PolarHBondContact O-N 3.43Å; D305-K309 VanDerWaalsContact O-N 3.12Å |
| 306 | V | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.6 | -46.3 | 175.9 | 167.8 | 0 | 0 | 0 | 0 | 111.2 | F229 F230 I299 R303 E304 M308 K309 L310 | F229-V306 HydrophobicContact CB-CG2 4.23Å; F230-V306 HydrophobicContact CD1-CG2 4.3Å; F230-V306 HydrophobicContact CE1-CB 4.36Å; F230-V306 HydrophobicContact CE1-CG1 3.53Å; F230-V306 HydrophobicContact CE1-CG2 3.88Å; F230-V306 HydrophobicContact CZ-CG1 4.08Å; I299-V306 HydrophobicContact CG2-CB 4.16Å; I299-V306 HydrophobicContact CG2-CG1 3.79Å; I299-V306 HydrophobicContact CG2-CG2 4.05Å; R303-V306 HydrophobicContact CB-CB 4.02Å; R303-V306 HydrophobicContact CB-CG2 3.93Å; R303-V306 WeakPolarHBondContact O-CB 3.43Å; R303-V306 PolarHBondContact O-N 2.94Å; E304-V306 VanDerWaalsContact C-N 3.27Å; E304-V306 PolarHBondContact O-N 3.11Å; V306-M308 PolarHBondContact O-N 3.39Å; V306-K309 WeakPolarHBondContact O-CA 3.37Å; V306-K309 WeakPolarHBondContact O-CB 3.42Å; V306-K309 PolarHBondContact O-N 3.15Å; V306-K309 VanDerWaalsContact O-N 3.07Å; V306-L310 HydrophobicContact CG1-CD1 3.69Å; V306-L310 HydrophobicContact CG1-CG 4.24Å; V306-L310 WeakPolarHBondContact O-CG 3.45Å; V306-L310 PolarHBondContact O-N 3.44Å |
| 307 | R | 94.4 | Very high | 93.2 | Very high | 108 Ų | 108 | 69.6 Ų | 69.6 | 41% | 0.408 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.3 | -49.1 | -178.5 | -174.2 | 175.3 | 71.5 | -168.8 | 9.5 | 111.3 | R303 E304 K309 L310 E311 | R303-R307 PolarHBondContact O-N 3.26Å; R303-R307 VanDerWaalsContact O-N 3.14Å; E304-R307 VanDerWaalsContact CD-CZ 3.47Å; E304-R307 PolarHBondContact O-N 3.41Å; E304-R307 IonicContact OE1-CZ 3.94Å; E304-R307 IonicContact OE1-NE 2.65Å; E304-R307 PolarHBondContact OE1-NE 2.96Å; E304-R307 VanDerWaalsContact OE1-NE 3.15Å; E304-R307 IonicContact OE1-NH2 3.11Å; E304-R307 PolarHBondContact OE1-NH2 2.98Å; E304-R307 IonicContact OE2-CZ 3.67Å; E304-R307 IonicContact OE2-NE 3.11Å; E304-R307 IonicContact OE2-NH1 3.9Å; E304-R307 IonicContact OE2-NH2 3.58Å; E304-R307 PolarHBondContact OE2-NH2 3.33Å; R307-K309 VanDerWaalsContact C-N 3.27Å; R307-K309 PolarHBondContact O-N 3.09Å; R307-L310 PolarHBondContact O-N 2.73Å; R307-E311 PolarHBondContact O-N 3.31Å; R307-E311 VanDerWaalsContact O-N 3.11Å |
| 308 | M | 93.8 | Very high | 93.3 | Very high | 108 Ų | 108 | 67.9 Ų | 67.9 | 53% | 0.532 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59 | -39.4 | 174.9 | -72.3 | -66.9 | -63.4 | 0 | 0 | 111.9 | E304 V306 E311 E312 | E304-M308 WeakPolarHBondContact O-CG 3.34Å; E304-M308 PolarHBondContact O-N 3.26Å; V306-M308 PolarHBondContact O-N 3.39Å; M308-E311 PolarHBondContact O-N 3.2Å; M308-E312 PolarHBondContact O-N 3.43Å; M308-E312 VanDerWaalsContact O-N 3.09Å |
| 309 | K | 96.5 | Very high | 93.3 | Very high | 25 Ų | 25 | 74.5 Ų | 74.5 | 11% | 0.109 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 178 | -171.6 | 66.3 | -167.3 | 171.5 | 0 | 112.4 | L226 F229 D305 V306 R307 E312 C313 | L226-K309 HydrophobicContact CD2-CG 4.1Å; F229-K309 HydrophobicContact CD2-CD 4.42Å; F229-K309 HydrophobicContact CD2-CG 4.01Å; F229-K309 HydrophobicContact CE1-CB 4.31Å; F229-K309 HydrophobicContact CE1-CG 4.47Å; F229-K309 HydrophobicContact CE2-CB 4.49Å; F229-K309 HydrophobicContact CE2-CD 3.71Å; F229-K309 HydrophobicContact CE2-CG 3.79Å; F229-K309 HydrophobicContact CG-CG 4.46Å; F229-K309 HydrophobicContact CZ-CB 4.3Å; F229-K309 HydrophobicContact CZ-CD 3.85Å; F229-K309 HydrophobicContact CZ-CG 4.04Å; D305-K309 WeakPolarHBondContact O-CB 3.29Å; D305-K309 PolarHBondContact O-N 3.43Å; D305-K309 VanDerWaalsContact O-N 3.12Å; V306-K309 WeakPolarHBondContact O-CA 3.37Å; V306-K309 WeakPolarHBondContact O-CB 3.42Å; V306-K309 PolarHBondContact O-N 3.15Å; V306-K309 VanDerWaalsContact O-N 3.07Å; R307-K309 VanDerWaalsContact C-N 3.27Å; R307-K309 PolarHBondContact O-N 3.09Å; K309-E312 WeakPolarHBondContact CD-OE2 3.46Å; K309-E312 IonicContact NZ-OE1 2.79Å; K309-E312 PolarHBondContact NZ-OE1 2.88Å; K309-E312 IonicContact NZ-OE2 3.84Å; K309-E312 PolarHBondContact NZ-OE2 3.16Å; K309-E312 WeakPolarHBondContact O-CB 3.35Å; K309-E312 PolarHBondContact O-N 3.43Å; K309-C313 WeakPolarHBondContact O-CB 3.39Å; K309-C313 PolarHBondContact O-N 3.19Å; K309-C313 PolarHBondContact O-SG 2.9Å |
| 310 | L | 95.1 | Very high | 92.9 | Very high | 20 Ų | 20 | 76 Ų | 76 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 176.9 | -74.7 | 164.3 | 0 | 0 | 0 | 112.1 | F222 L226 L296 C300 V306 R307 C313 S314 L324 | F222-L310 HydrophobicContact CD1-CD2 4.29Å; L226-L310 HydrophobicContact CD1-CD2 3.69Å; L226-L310 HydrophobicContact CD2-CD2 4.24Å; L226-L310 HydrophobicContact CD2-CG 4.39Å; L296-L310 HydrophobicContact CD1-CD1 3.8Å; L296-L310 HydrophobicContact CD1-CD2 4.4Å; C300-L310 WeakPolarHBondContact SG-CD1 3.36Å; V306-L310 HydrophobicContact CG1-CD1 3.69Å; V306-L310 HydrophobicContact CG1-CG 4.24Å; V306-L310 WeakPolarHBondContact O-CG 3.45Å; V306-L310 PolarHBondContact O-N 3.44Å; R307-L310 PolarHBondContact O-N 2.73Å; L310-C313 PolarHBondContact O-N 3.43Å; L310-S314 WeakPolarHBondContact O-CB 3.36Å; L310-S314 PolarHBondContact O-N 2.95Å; L310-L324 HydrophobicContact CD2-CB 3.99Å; L310-L324 HydrophobicContact CD2-CD2 3.57Å; L310-L324 HydrophobicContact CD2-CG 4.44Å |
| 311 | E | 93 | Very high | 92.7 | Very high | 89 Ų | 89 | 80.8 Ų | 80.8 | 42% | 0.416 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 173.3 | -70.2 | 179.7 | -164.3 | 0 | 0 | 112.1 | R307 M308 S314 K315 | R307-E311 PolarHBondContact O-N 3.31Å; R307-E311 VanDerWaalsContact O-N 3.11Å; M308-E311 PolarHBondContact O-N 3.2Å; E311-S314 PolarHBondContact O-N 3.02Å; E311-K315 WeakPolarHBondContact O-CG 3.47Å; E311-K315 PolarHBondContact O-N 2.9Å |
| 312 | E | 95.2 | Very high | 92.6 | Very high | 64 Ų | 64 | 73.9 Ų | 73.9 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 174.2 | -173.3 | -161.2 | 149 | 0 | 0 | 111.2 | M308 K309 K315 R316 | M308-E312 PolarHBondContact O-N 3.43Å; M308-E312 VanDerWaalsContact O-N 3.09Å; K309-E312 WeakPolarHBondContact CD-OE2 3.46Å; K309-E312 IonicContact NZ-OE1 2.79Å; K309-E312 PolarHBondContact NZ-OE1 2.88Å; K309-E312 IonicContact NZ-OE2 3.84Å; K309-E312 PolarHBondContact NZ-OE2 3.16Å; K309-E312 WeakPolarHBondContact O-CB 3.35Å; K309-E312 PolarHBondContact O-N 3.43Å; E312-K315 PolarHBondContact O-N 3.49Å; E312-R316 WeakPolarHBondContact O-CG 3.43Å; E312-R316 PolarHBondContact O-N 3.16Å; E312-R316 IonicContact OE1-CZ 2.94Å; E312-R316 IonicContact OE1-NE 3.22Å; E312-R316 PolarHBondContact OE1-NE 3.25Å; E312-R316 IonicContact OE1-NH1 2.65Å; E312-R316 PolarHBondContact OE1-NH1 3.25Å; E312-R316 IonicContact OE1-NH2 2.87Å; E312-R316 PolarHBondContact OE1-NH2 3.07Å |
| 313 | C | 96.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.02 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 176.8 | -72.9 | 0 | 0 | 0 | 0 | 111.6 | H221 F222 K309 L310 R316 A317 | H221-C313 VanDerWaalsContact O-CB 3.28Å; H221-C313 WeakPolarHBondContact O-CB 3.46Å; H221-C313 PolarHBondContact O-SG 3.47Å; F222-C313 HydrophobicContact CD1-CB 3.51Å; F222-C313 HydrophobicContact CE1-CB 3.61Å; F222-C313 HydrophobicContact CG-CB 4.15Å; F222-C313 HydrophobicContact CZ-CB 4.32Å; K309-C313 WeakPolarHBondContact O-CB 3.39Å; K309-C313 PolarHBondContact O-N 3.19Å; K309-C313 PolarHBondContact O-SG 2.9Å; L310-C313 PolarHBondContact O-N 3.43Å; C313-R316 PolarHBondContact O-N 2.98Å; C313-A317 VanDerWaalsContact O-CB 3.3Å; C313-A317 WeakPolarHBondContact O-CB 3.41Å; C313-A317 PolarHBondContact O-N 3.3Å |
| 314 | S | 93 | Very high | 92.4 | Very high | 9 Ų | 9 | 67.8 Ų | 67.8 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 177 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | L310 E311 R316 A317 N318 Y319 G320 F322 | L310-S314 WeakPolarHBondContact O-CB 3.36Å; L310-S314 PolarHBondContact O-N 2.95Å; E311-S314 PolarHBondContact O-N 3.02Å; S314-R316 VanDerWaalsContact C-N 3.31Å; S314-R316 PolarHBondContact O-N 3.08Å; S314-A317 PolarHBondContact O-N 3.41Å; S314-N318 PolarHBondContact O-N 3.06Å; S314-N318 PolarHBondContact O-OD1 3.45Å; S314-N318 VanDerWaalsContact O-OD1 3.07Å; S314-N318 PolarHBondContact OG-OD1 3.21Å; S314-Y319 PolarHBondContact O-N 3.26Å; S314-G320 PolarHBondContact O-N 3.4Å; S314-G320 WeakPolarHBondContact OG-CA 3.48Å; S314-F322 PolarHBondContact OG-O 3.39Å |
| 315 | K | 92.6 | Very high | 92.1 | Very high | 128 Ų | 128 | 68.1 Ų | 68.1 | 56% | 0.557 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -58.7 | -40.6 | 174.6 | -72.7 | 173 | -171.8 | 168.6 | 0 | 112.4 | E311 E312 Y319 | E311-K315 WeakPolarHBondContact O-CG 3.47Å; E311-K315 PolarHBondContact O-N 2.9Å; E312-K315 PolarHBondContact O-N 3.49Å; K315-Y319 VanDerWaalsContact O-CA 3.3Å; K315-Y319 WeakPolarHBondContact O-CA 3.29Å; K315-Y319 PolarHBondContact O-N 3.34Å; K315-Y319 VanDerWaalsContact O-N 3.13Å |
| 316 | R | 93.8 | Very high | 91.6 | Very high | 167 Ų | 167 | 65.9 Ų | 65.9 | 63% | 0.63 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -72.2 | -36.6 | 177.9 | -73.8 | -178.6 | 180 | 176.9 | 7.5 | 113.5 | E312 C313 S314 | E312-R316 WeakPolarHBondContact O-CG 3.43Å; E312-R316 PolarHBondContact O-N 3.16Å; E312-R316 IonicContact OE1-CZ 2.94Å; E312-R316 IonicContact OE1-NE 3.22Å; E312-R316 PolarHBondContact OE1-NE 3.25Å; E312-R316 IonicContact OE1-NH1 2.65Å; E312-R316 PolarHBondContact OE1-NH1 3.25Å; E312-R316 IonicContact OE1-NH2 2.87Å; E312-R316 PolarHBondContact OE1-NH2 3.07Å; C313-R316 PolarHBondContact O-N 2.98Å; S314-R316 VanDerWaalsContact C-N 3.31Å; S314-R316 PolarHBondContact O-N 3.08Å |
| 317 | A | 91 | Very high | 91.4 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 20% | 0.198 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -78.8 | -40.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H221 F222 C313 S314 | H221-A317 HydrophobicContact CB-CB 3.78Å; F222-A317 HydrophobicContact CD2-CB 4.44Å; F222-A317 HydrophobicContact CE2-CB 3.56Å; F222-A317 HydrophobicContact CZ-CB 4.11Å; C313-A317 VanDerWaalsContact O-CB 3.3Å; C313-A317 WeakPolarHBondContact O-CB 3.41Å; C313-A317 PolarHBondContact O-N 3.3Å; S314-A317 PolarHBondContact O-N 3.41Å |
| 318 | N | 89.1 | Confident | 91.3 | Very high | 29 Ų | 29 | 61 Ų | 61 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -153.2 | 26.2 | -168.2 | 58.9 | 49.7 | 0 | 0 | 0 | 113.4 | S314 G320 K321 F322 | S314-N318 PolarHBondContact O-N 3.06Å; S314-N318 PolarHBondContact O-OD1 3.45Å; S314-N318 VanDerWaalsContact O-OD1 3.07Å; S314-N318 PolarHBondContact OG-OD1 3.21Å; N318-G320 PolarHBondContact O-N 3.06Å; N318-G320 VanDerWaalsContact O-N 3.17Å; N318-G320 PolarHBondContact OD1-N 3.39Å; N318-K321 WeakPolarHBondContact O-CB 3.38Å; N318-K321 PolarHBondContact O-N 3.25Å; N318-K321 VanDerWaalsContact O-N 3.12Å; N318-K321 PolarHBondContact OD1-N 2.91Å; N318-F322 PolarHBondContact ND2-O 3.38Å; N318-F322 PolarHBondContact OD1-N 3.5Å; N318-F322 PolarHBondContact OD1-O 3.3Å |
| 319 | Y | 89.5 | Confident | 90.8 | Very high | 227 Ų | 227 | 57.8 Ų | 57.8 | 89% | 0.89 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 23.2 | -178.8 | -53.6 | -80.8 | 0 | 0 | 0 | 114.5 | S314 K315 K321 | S314-Y319 PolarHBondContact O-N 3.26Å; K315-Y319 VanDerWaalsContact O-CA 3.3Å; K315-Y319 WeakPolarHBondContact O-CA 3.29Å; K315-Y319 PolarHBondContact O-N 3.34Å; K315-Y319 VanDerWaalsContact O-N 3.13Å; Y319-K321 VanDerWaalsContact C-N 3.33Å |
| 320 | G | 83.1 | Confident | 90.4 | Very high | 41 Ų | 41 | 56.6 Ų | 56.6 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 9.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S314 N318 | S314-G320 PolarHBondContact O-N 3.4Å; S314-G320 WeakPolarHBondContact OG-CA 3.48Å; N318-G320 PolarHBondContact O-N 3.06Å; N318-G320 VanDerWaalsContact O-N 3.17Å; N318-G320 PolarHBondContact OD1-N 3.39Å |
| 321 | K | 86.2 | Confident | 90.2 | Very high | 125 Ų | 125 | 55.7 Ų | 55.7 | 54% | 0.543 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -69.2 | -37.4 | 179.9 | -171.7 | 179.3 | 177.7 | -170.7 | 0 | 112.2 | N318 Y319 | N318-K321 WeakPolarHBondContact O-CB 3.38Å; N318-K321 PolarHBondContact O-N 3.25Å; N318-K321 VanDerWaalsContact O-N 3.12Å; N318-K321 PolarHBondContact OD1-N 2.91Å; Y319-K321 VanDerWaalsContact C-N 3.33Å |
| 322 | F | 87.2 | Confident | 89.8 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -131.9 | 132.5 | -178 | -55.4 | -68.8 | 0 | 0 | 0 | 110.9 | I173 D176 L177 S314 N318 D326 L327 | I173-F322 HydrophobicContact CG2-CD1 3.93Å; I173-F322 HydrophobicContact CG2-CE1 3.91Å; D176-F322 HydrophobicContact CB-CZ 4.21Å; L177-F322 HydrophobicContact CB-CE2 4.39Å; L177-F322 HydrophobicContact CB-CZ 4.32Å; L177-F322 HydrophobicContact CD1-CD2 4.26Å; L177-F322 HydrophobicContact CD1-CE2 3.83Å; S314-F322 PolarHBondContact OG-O 3.39Å; N318-F322 PolarHBondContact ND2-O 3.38Å; N318-F322 PolarHBondContact OD1-N 3.5Å; N318-F322 PolarHBondContact OD1-O 3.3Å; F322-D326 HydrophobicContact CB-CB 4.38Å; F322-L327 HydrophobicContact CB-CD2 4Å; F322-L327 HydrophobicContact CB-CG 4.15Å |
| 323 | T | 91.4 | Very high | 89.1 | Confident | 66 Ų | 66 | 51.8 Ų | 51.8 | 41% | 0.405 | 25% | 0.245 | S | C | . | . | trans | -80.5 | 167.6 | 175.4 | 71.8 | 0 | 0 | 0 | 0 | 111.1 | R325 D326 L327 | T323-R325 PolarHBondContact O-N 3.13Å; T323-R325 PolarHBondContact OG1-N 3.27Å; T323-D326 WeakPolarHBondContact CB-OD2 3.46Å; T323-D326 PolarHBondContact N-OD2 3.32Å; T323-D326 PolarHBondContact O-N 3.4Å; T323-D326 PolarHBondContact OG1-N 3.41Å; T323-D326 PolarHBondContact OG1-OD1 3.47Å; T323-D326 PolarHBondContact OG1-OD2 3.13Å; T323-L327 VanDerWaalsContact O-CG 3.32Å; T323-L327 WeakPolarHBondContact O-CG 3.23Å; T323-L327 PolarHBondContact O-N 2.98Å; T323-L327 VanDerWaalsContact O-N 3.12Å | ||
| 324 | L | 92.9 | Very high | 88.9 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -37.9 | 173.5 | 179.4 | 58 | 0 | 0 | 0 | 111.6 | I218 F222 L226 V238 F239 L296 L310 D326 L327 L328 | I218-L324 HydrophobicContact CG2-CD1 4.26Å; F222-L324 HydrophobicContact CB-CD1 4.04Å; F222-L324 HydrophobicContact CB-CD2 4.45Å; F222-L324 HydrophobicContact CD1-CB 3.75Å; F222-L324 HydrophobicContact CD1-CD1 4.01Å; F222-L324 HydrophobicContact CD1-CD2 4.19Å; F222-L324 HydrophobicContact CD1-CG 4.19Å; F222-L324 HydrophobicContact CE1-CB 3.77Å; F222-L324 HydrophobicContact CG-CD1 3.95Å; L226-L324 HydrophobicContact CD1-CD2 4.05Å; V238-L324 HydrophobicContact CG1-CD2 4.46Å; F239-L324 HydrophobicContact CE1-CD1 3.88Å; F239-L324 HydrophobicContact CE1-CD2 4Å; F239-L324 HydrophobicContact CZ-CD1 4.47Å; F239-L324 HydrophobicContact CZ-CD2 3.8Å; L296-L324 HydrophobicContact CD1-CD2 4.18Å; L296-L324 HydrophobicContact CD2-CB 4.2Å; L296-L324 HydrophobicContact CD2-CD2 3.93Å; L296-L324 HydrophobicContact CD2-CG 3.93Å; L310-L324 HydrophobicContact CD2-CB 3.99Å; L310-L324 HydrophobicContact CD2-CD2 3.57Å; L310-L324 HydrophobicContact CD2-CG 4.44Å; L324-D326 VanDerWaalsContact C-N 3.31Å; L324-D326 PolarHBondContact O-N 3.46Å; L324-L327 PolarHBondContact O-N 2.84Å; L324-L328 HydrophobicContact CD1-CD1 4.39Å; L324-L328 HydrophobicContact CD1-CD2 4.33Å; L324-L328 HydrophobicContact CD1-CG 4.05Å; L324-L328 HydrophobicContact CG-CD1 4.13Å; L324-L328 HydrophobicContact CG-CG 4.27Å; L324-L328 VanDerWaalsContact O-CG 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.46Å; L324-L328 PolarHBondContact O-N 3.33Å |
| 325 | R | 90.3 | Very high | 88.6 | Confident | 101 Ų | 101 | 51.2 Ų | 51.2 | 38% | 0.381 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.6 | -46.9 | 176.5 | 177.6 | 176.1 | -179.7 | -96.7 | 0.4 | 111.1 | E169 I293 L296 D297 T323 L328 | E169-R325 IonicContact OE2-NH1 2.64Å; I293-R325 HydrophobicContact CG2-CG 3.98Å; L296-R325 HydrophobicContact CD2-CB 4.47Å; D297-R325 IonicContact OD1-NE 3.99Å; D297-R325 IonicContact OD2-NE 2.67Å; T323-R325 PolarHBondContact O-N 3.13Å; T323-R325 PolarHBondContact OG1-N 3.27Å; R325-L328 PolarHBondContact O-N 3.46Å |
| 326 | D | 84.6 | Confident | 88 | Confident | 29 Ų | 29 | 46.7 Ų | 46.7 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 178.7 | -54.5 | -29.7 | 0 | 0 | 0 | 111.4 | I173 F322 T323 L324 L328 V329 | I173-D326 HydrophobicContact CD1-CB 3.86Å; I173-D326 HydrophobicContact CG2-CB 4.28Å; F322-D326 HydrophobicContact CB-CB 4.38Å; T323-D326 WeakPolarHBondContact CB-OD2 3.46Å; T323-D326 PolarHBondContact N-OD2 3.32Å; T323-D326 PolarHBondContact O-N 3.4Å; T323-D326 PolarHBondContact OG1-N 3.41Å; T323-D326 PolarHBondContact OG1-OD1 3.47Å; T323-D326 PolarHBondContact OG1-OD2 3.13Å; L324-D326 VanDerWaalsContact C-N 3.31Å; L324-D326 PolarHBondContact O-N 3.46Å; D326-L328 VanDerWaalsContact C-N 3.3Å; D326-L328 PolarHBondContact O-N 3.01Å; D326-V329 PolarHBondContact O-N 3.22Å |
| 327 | L | 90.9 | Very high | 87.6 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66 | -30.1 | -177.6 | -67.1 | 175.7 | 0 | 0 | 0 | 113.2 | T214 I218 F222 F322 T323 L324 V329 V330 | T214-L327 HydrophobicContact CG2-CD2 3.9Å; I218-L327 HydrophobicContact CD1-CB 3.95Å; I218-L327 HydrophobicContact CG1-CB 4.03Å; I218-L327 HydrophobicContact CG1-CD1 4.22Å; F222-L327 HydrophobicContact CD2-CD1 4.43Å; F222-L327 HydrophobicContact CE2-CD1 3.61Å; F222-L327 HydrophobicContact CZ-CD1 3.93Å; F322-L327 HydrophobicContact CB-CD2 4Å; F322-L327 HydrophobicContact CB-CG 4.15Å; T323-L327 VanDerWaalsContact O-CG 3.32Å; T323-L327 WeakPolarHBondContact O-CG 3.23Å; T323-L327 PolarHBondContact O-N 2.98Å; T323-L327 VanDerWaalsContact O-N 3.12Å; L324-L327 PolarHBondContact O-N 2.84Å; L327-V329 PolarHBondContact O-N 2.9Å; L327-V330 WeakPolarHBondContact O-CB 3.41Å; L327-V330 PolarHBondContact O-N 3.31Å |
| 328 | L | 91.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.8 | -19.8 | 177.4 | -72.2 | 174 | 0 | 0 | 0 | 112.9 | V238 F239 Y285 V289 I293 L296 L324 R325 D326 P331 | V238-L328 HydrophobicContact CG1-CD1 4.26Å; F239-L328 HydrophobicContact CD1-CD2 4.45Å; Y285-L328 WeakPolarHBondContact CE1-O 3.49Å; Y285-L328 WeakPolarHBondContact OH-CA 3.43Å; Y285-L328 PolarHBondContact OH-O 2.88Å; V289-L328 HydrophobicContact CG2-CB 4.44Å; V289-L328 VanDerWaalsContact CG2-O 3.22Å; V289-L328 WeakPolarHBondContact CG2-O 3.43Å; I293-L328 HydrophobicContact CG1-CB 4.45Å; L296-L328 HydrophobicContact CD2-CD1 4.17Å; L324-L328 HydrophobicContact CD1-CD1 4.39Å; L324-L328 HydrophobicContact CD1-CD2 4.33Å; L324-L328 HydrophobicContact CD1-CG 4.05Å; L324-L328 HydrophobicContact CG-CD1 4.13Å; L324-L328 HydrophobicContact CG-CG 4.27Å; L324-L328 VanDerWaalsContact O-CG 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.46Å; L324-L328 PolarHBondContact O-N 3.33Å; R325-L328 PolarHBondContact O-N 3.46Å; D326-L328 VanDerWaalsContact C-N 3.3Å; D326-L328 PolarHBondContact O-N 3.01Å; L328-P331 WeakPolarHBondContact O-CD 3.41Å |
| 329 | V | 84.6 | Confident | 87.6 | Confident | 40 Ų | 40 | 40.5 Ų | 40.5 | 24% | 0.242 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -80.2 | -29.5 | 177.2 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | I293 D326 L327 P331 M332 Q333 | I293-V329 HydrophobicContact CD1-CG2 3.79Å; D326-V329 PolarHBondContact O-N 3.22Å; L327-V329 PolarHBondContact O-N 2.9Å; V329-P331 VanDerWaalsContact C-CD 3.48Å; V329-M332 WeakPolarHBondContact O-CB 3.43Å; V329-M332 PolarHBondContact O-N 3.44Å; V329-M332 VanDerWaalsContact O-N 3.1Å; V329-Q333 HydrophobicContact CG1-CG 4.3Å; V329-Q333 PolarHBondContact O-N 3.19Å |
| 330 | V | 87.4 | Confident | 87.2 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -52.2 | -43.3 | -173.2 | 179.9 | 0 | 0 | 0 | 0 | 114.1 | I173 Y174 L177 M178 Y211 L327 M332 Q333 R334 | I173-V330 HydrophobicContact CG2-CG2 4.45Å; Y174-V330 HydrophobicContact CD2-CG1 4.04Å; Y174-V330 HydrophobicContact CE2-CG1 4.43Å; L177-V330 HydrophobicContact CD2-CG1 3.93Å; L177-V330 HydrophobicContact CD2-CG2 4.01Å; M178-V330 HydrophobicContact CE-CG1 4.16Å; Y211-V330 HydrophobicContact CD2-CG1 3.96Å; Y211-V330 HydrophobicContact CE2-CG1 3.95Å; L327-V330 WeakPolarHBondContact O-CB 3.41Å; L327-V330 PolarHBondContact O-N 3.31Å; V330-M332 VanDerWaalsContact C-N 3.33Å; V330-M332 PolarHBondContact O-N 3.31Å; V330-Q333 PolarHBondContact O-N 2.73Å; V330-Q333 VanDerWaalsContact O-N 3.1Å; V330-R334 PolarHBondContact O-N 3.17Å |
| 331 | P | 91.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.3 | -39 | -179.9 | -25.3 | 36.5 | 0 | 0 | 0 | 113.8 | Y211 L215 I242 L245 Y282 Y285 L328 V329 Q333 R334 V335 | Y211-P331 HydrophobicContact CE2-CG 4.48Å; Y211-P331 WeakPolarHBondContact OH-CA 3.42Å; Y211-P331 WeakPolarHBondContact OH-CB 3.48Å; L215-P331 HydrophobicContact CD2-CG 3.93Å; I242-P331 HydrophobicContact CD1-CG 4.09Å; L245-P331 HydrophobicContact CD1-CB 4.16Å; Y282-P331 HydrophobicContact CE1-CB 3.8Å; Y282-P331 WeakPolarHBondContact CE1-O 3.47Å; Y285-P331 HydrophobicContact CD1-CB 3.87Å; Y285-P331 HydrophobicContact CD1-CG 4.49Å; Y285-P331 HydrophobicContact CE1-CB 3.53Å; Y285-P331 HydrophobicContact CE1-CG 3.71Å; L328-P331 WeakPolarHBondContact O-CD 3.41Å; V329-P331 VanDerWaalsContact C-CD 3.48Å; P331-Q333 PolarHBondContact O-N 3.35Å; P331-R334 PolarHBondContact O-N 3.31Å; P331-V335 PolarHBondContact O-N 3.13Å |
| 332 | M | 84 | Confident | 87.6 | Confident | 42 Ų | 42 | 26.8 Ų | 26.8 | 21% | 0.207 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.6 | -32.1 | 177.1 | 177 | 174.3 | 165.5 | 0 | 0 | 111.5 | V289 V329 V330 V335 L336 K376 | V289-M332 HydrophobicContact CG1-SD 4.36Å; V329-M332 WeakPolarHBondContact O-CB 3.43Å; V329-M332 PolarHBondContact O-N 3.44Å; V329-M332 VanDerWaalsContact O-N 3.1Å; V330-M332 VanDerWaalsContact C-N 3.33Å; V330-M332 PolarHBondContact O-N 3.31Å; M332-V335 WeakPolarHBondContact O-CG1 3.47Å; M332-L336 WeakPolarHBondContact O-CG 3.43Å; M332-K376 HydrophobicContact CE-CD 4.41Å |
| 333 | Q | 79.6 | Confident | 87.7 | Confident | 30 Ų | 30 | 30.5 Ų | 30.5 | 14% | 0.14 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -77.3 | -43.3 | 177.5 | -60.7 | 175.4 | -68.8 | 0 | 0 | 111.2 | G170 Y174 V329 V330 P331 V335 L336 K337 | G170-Q333 PolarHBondContact O-NE2 2.99Å; G170-Q333 PolarHBondContact O-OE1 3.09Å; Y174-Q333 HydrophobicContact CD2-CB 3.71Å; Y174-Q333 HydrophobicContact CE2-CB 4.33Å; Y174-Q333 HydrophobicContact CG-CB 4.1Å; V329-Q333 HydrophobicContact CG1-CG 4.3Å; V329-Q333 PolarHBondContact O-N 3.19Å; V330-Q333 PolarHBondContact O-N 2.73Å; V330-Q333 VanDerWaalsContact O-N 3.1Å; P331-Q333 PolarHBondContact O-N 3.35Å; Q333-V335 PolarHBondContact O-N 2.67Å; Q333-L336 PolarHBondContact O-N 2.62Å; Q333-L336 VanDerWaalsContact O-N 3.09Å; Q333-K337 WeakPolarHBondContact O-CG 3.32Å; Q333-K337 PolarHBondContact O-N 3.49Å |
| 334 | R | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.6 | -47.2 | -178.6 | -179.7 | 62.8 | 177.9 | 172.3 | 1.4 | 112.5 | Y174 T207 E208 Y211 V330 P331 L336 K337 Y338 | Y174-R334 HydrophobicContact CE2-CB 4.02Å; Y174-R334 VanDerWaalsContact OH-CD 3.25Å; Y174-R334 WeakPolarHBondContact OH-CD 3.4Å; Y174-R334 PolarHBondContact OH-NH1 3.36Å; T207-R334 VanDerWaalsContact CB-NH1 3.28Å; T207-R334 PolarHBondContact OG1-NH1 2.93Å; T207-R334 PolarHBondContact OG1-NH2 3.46Å; E208-R334 IonicContact OE2-CZ 3.53Å; E208-R334 IonicContact OE2-NE 3.55Å; E208-R334 PolarHBondContact OE2-NE 3.38Å; E208-R334 VanDerWaalsContact OE2-NE 3.16Å; E208-R334 IonicContact OE2-NH2 2.62Å; E208-R334 PolarHBondContact OE2-NH2 2.92Å; Y211-R334 HydrophobicContact CD1-CB 4.37Å; Y211-R334 HydrophobicContact CD1-CG 3.59Å; Y211-R334 HydrophobicContact CD2-CB 3.88Å; Y211-R334 HydrophobicContact CD2-CG 3.89Å; Y211-R334 HydrophobicContact CE1-CB 4.11Å; Y211-R334 HydrophobicContact CE1-CG 3.62Å; Y211-R334 HydrophobicContact CE2-CB 3.65Å; Y211-R334 HydrophobicContact CE2-CG 3.97Å; Y211-R334 HydrophobicContact CG-CB 4.23Å; Y211-R334 HydrophobicContact CG-CG 3.7Å; V330-R334 PolarHBondContact O-N 3.17Å; P331-R334 PolarHBondContact O-N 3.31Å; R334-L336 PolarHBondContact O-N 3.27Å; R334-L336 VanDerWaalsContact O-N 3.17Å; R334-K337 PolarHBondContact O-N 3.22Å; R334-Y338 HydrophobicContact CG-CE2 4.09Å; R334-Y338 PolarHBondContact NE-OH 3.49Å |
| 335 | V | 88.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.8 | -28 | -177.8 | 69.4 | 0 | 0 | 0 | 0 | 112.3 | Y282 P331 M332 Q333 L368 V372 | Y282-V335 HydrophobicContact CD1-CB 3.85Å; Y282-V335 HydrophobicContact CD1-CG1 3.93Å; Y282-V335 HydrophobicContact CD1-CG2 4.31Å; Y282-V335 HydrophobicContact CD2-CB 4.18Å; Y282-V335 HydrophobicContact CD2-CG2 3.89Å; Y282-V335 HydrophobicContact CE1-CB 3.96Å; Y282-V335 HydrophobicContact CE1-CG1 4.34Å; Y282-V335 HydrophobicContact CE2-CB 4.3Å; Y282-V335 HydrophobicContact CE2-CG2 4.31Å; Y282-V335 HydrophobicContact CG-CB 3.96Å; Y282-V335 HydrophobicContact CG-CG1 4.26Å; Y282-V335 HydrophobicContact CG-CG2 3.89Å; P331-V335 PolarHBondContact O-N 3.13Å; M332-V335 WeakPolarHBondContact O-CG1 3.47Å; Q333-V335 PolarHBondContact O-N 2.67Å; V335-L368 HydrophobicContact CG2-CD1 4.47Å; V335-L368 HydrophobicContact CG2-CD2 3.69Å; V335-L368 HydrophobicContact CG2-CG 3.88Å; V335-V372 HydrophobicContact CG1-CG2 4.44Å; V335-V372 HydrophobicContact CG2-CG2 4.38Å |
| 336 | L | 79.9 | Confident | 87.4 | Confident | 32 Ų | 32 | 26.3 Ų | 26.3 | 17% | 0.168 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -83.9 | -8.3 | 176.3 | -58.1 | 178.1 | 0 | 0 | 0 | 113.6 | M332 Q333 R334 H339 A369 | M332-L336 WeakPolarHBondContact O-CG 3.43Å; Q333-L336 PolarHBondContact O-N 2.62Å; Q333-L336 VanDerWaalsContact O-N 3.09Å; R334-L336 PolarHBondContact O-N 3.27Å; R334-L336 VanDerWaalsContact O-N 3.17Å; L336-H339 PolarHBondContact O-CD2 2.75Å; L336-H339 VanDerWaalsContact O-CD2 3.25Å; L336-H339 PolarHBondContact O-NE2 3.32Å; L336-A369 HydrophobicContact CD2-CB 3.85Å |
| 337 | K | 84.1 | Confident | 87.8 | Confident | 55 Ų | 55 | 31 Ų | 31 | 24% | 0.239 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -90.1 | -23.4 | 176.8 | -62.3 | -61.9 | -169.5 | 159.9 | 0 | 113.3 | Y174 E175 Q333 R334 H339 L340 L341 | Y174-K337 HydrophobicContact CE1-CD 4.25Å; Y174-K337 HydrophobicContact CE1-CG 3.74Å; E175-K337 IonicContact OE1-NZ 3.33Å; E175-K337 PolarHBondContact OE1-NZ 3.02Å; Q333-K337 WeakPolarHBondContact O-CG 3.32Å; Q333-K337 PolarHBondContact O-N 3.49Å; R334-K337 PolarHBondContact O-N 3.22Å; K337-H339 VanDerWaalsContact C-N 3.34Å; K337-H339 PolarHBondContact O-N 3.49Å; K337-L340 HydrophobicContact CD-CD1 4.03Å; K337-L340 WeakPolarHBondContact O-CB 3.46Å; K337-L340 PolarHBondContact O-N 3.42Å; K337-L341 HydrophobicContact CB-CD1 4.4Å; K337-L341 WeakPolarHBondContact O-CG 3.42Å; K337-L341 PolarHBondContact O-N 3.43Å |
| 338 | Y | 93.5 | Very high | 87.7 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.2 | -43.3 | -176.9 | -70.1 | -58.6 | 0 | 0 | 0 | 113.6 | E208 H249 L252 F272 R334 L340 L342 M365 | E208-Y338 PolarHBondContact OE1-OH 3.31Å; E208-Y338 WeakPolarHBondContact OE2-CE1 3.49Å; E208-Y338 PolarHBondContact OE2-OH 3.3Å; H249-Y338 AromaticContact CE1-CZ 4Å; H249-Y338 PolarHBondContact CE1-OH 3.35Å; H249-Y338 PolarHBondContact ND1-OH 3.22Å; L252-Y338 HydrophobicContact CD2-CE1 4.45Å; F272-Y338 AromaticContact CE1-CD1 3.6Å; F272-Y338 HydrophobicContact CE1-CD1 3.6Å; F272-Y338 HydrophobicContact CE1-CE1 4.04Å; F272-Y338 HydrophobicContact CE1-CG 4.28Å; F272-Y338 HydrophobicContact CZ-CD1 4.26Å; R334-Y338 HydrophobicContact CG-CE2 4.09Å; R334-Y338 PolarHBondContact NE-OH 3.49Å; Y338-L340 VanDerWaalsContact C-N 3.33Å; Y338-L340 PolarHBondContact O-N 3.34Å; Y338-L342 WeakPolarHBondContact O-CB 3.27Å; Y338-L342 WeakPolarHBondContact O-CG 3.29Å; Y338-L342 PolarHBondContact O-N 3.12Å; Y338-M365 HydrophobicContact CG-SD 4.33Å |
| 339 | H | 86.3 | Confident | 87.5 | Confident | 34 Ų | 34 | 32.5 Ų | 32.5 | 16% | 0.157 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.3 | -31.7 | 178.3 | 71.2 | 81.4 | 0 | 0 | 0 | 112.4 | L336 K337 Q343 L362 M365 K366 | L336-H339 PolarHBondContact O-CD2 2.75Å; L336-H339 VanDerWaalsContact O-CD2 3.25Å; L336-H339 PolarHBondContact O-NE2 3.32Å; K337-H339 VanDerWaalsContact C-N 3.34Å; K337-H339 PolarHBondContact O-N 3.49Å; H339-Q343 WeakPolarHBondContact O-CB 3.44Å; H339-Q343 PolarHBondContact O-N 2.82Å; H339-L362 HydrophobicContact CB-CD1 3.96Å; H339-L362 WeakPolarHBondContact O-CD1 3.4Å; H339-M365 HydrophobicContact CB-CB 4.14Å; H339-K366 HydrophobicContact CB-CG 3.9Å |
| 340 | L | 82.6 | Confident | 87.7 | Confident | 81 Ų | 81 | 39 Ų | 39 | 42% | 0.424 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.6 | -45.2 | 176.5 | -60.4 | 176.9 | 0 | 0 | 0 | 111 | K337 Y338 Q343 E344 | K337-L340 HydrophobicContact CD-CD1 4.03Å; K337-L340 WeakPolarHBondContact O-CB 3.46Å; K337-L340 PolarHBondContact O-N 3.42Å; Y338-L340 VanDerWaalsContact C-N 3.33Å; Y338-L340 PolarHBondContact O-N 3.34Å; L340-Q343 WeakPolarHBondContact O-CB 3.22Å; L340-Q343 PolarHBondContact O-N 3.33Å; L340-E344 PolarHBondContact O-N 3.08Å |
| 341 | L | 85.6 | Confident | 87.8 | Confident | 22 Ų | 22 | 43.1 Ų | 43.1 | 12% | 0.115 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 177.4 | -68.7 | 165.7 | 0 | 0 | 0 | 111.6 | E203 I204 K337 Q343 E344 L345 | E203-L341 HydrophobicContact CG-CD2 4.05Å; I204-L341 HydrophobicContact CD1-CB 4.34Å; I204-L341 HydrophobicContact CG1-CB 3.85Å; I204-L341 HydrophobicContact CG1-CD1 4.38Å; I204-L341 HydrophobicContact CG1-CD2 4.46Å; I204-L341 HydrophobicContact CG1-CG 4.45Å; K337-L341 HydrophobicContact CB-CD1 4.4Å; K337-L341 WeakPolarHBondContact O-CG 3.42Å; K337-L341 PolarHBondContact O-N 3.43Å; L341-Q343 VanDerWaalsContact C-N 3.34Å; L341-E344 PolarHBondContact O-N 2.93Å; L341-L345 WeakPolarHBondContact O-CB 3.22Å; L341-L345 PolarHBondContact O-N 3.36Å |
| 342 | L | 91.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.5 | -34.6 | 175.9 | -72.9 | 175.2 | 0 | 0 | 0 | 112.4 | F272 Y338 L345 V346 A361 L362 M365 | F272-L342 HydrophobicContact CB-CD1 4.49Å; F272-L342 HydrophobicContact CD1-CD1 4.38Å; F272-L342 HydrophobicContact CD2-CD1 4.22Å; F272-L342 HydrophobicContact CD2-CD2 3.98Å; F272-L342 HydrophobicContact CE2-CD2 3.93Å; F272-L342 HydrophobicContact CG-CD1 4.11Å; Y338-L342 WeakPolarHBondContact O-CB 3.27Å; Y338-L342 WeakPolarHBondContact O-CG 3.29Å; Y338-L342 PolarHBondContact O-N 3.12Å; L342-L345 HydrophobicContact CD2-CD2 4.4Å; L342-L345 PolarHBondContact O-N 3.34Å; L342-V346 WeakPolarHBondContact O-CB 3.22Å; L342-V346 VanDerWaalsContact O-CG2 3.22Å; L342-V346 WeakPolarHBondContact O-CG2 2.92Å; L342-V346 PolarHBondContact O-N 2.85Å; L342-A361 HydrophobicContact CD1-CB 4.24Å; L342-L362 HydrophobicContact CB-CB 4.3Å; L342-L362 HydrophobicContact CB-CD1 4.07Å; L342-M365 HydrophobicContact CD1-CB 4.2Å; L342-M365 HydrophobicContact CD1-CG 3.59Å |
| 343 | Q | 89.1 | Confident | 88.1 | Confident | 95 Ų | 95 | 48.5 Ų | 48.5 | 44% | 0.444 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.9 | 179 | 174 | 0.9 | 0 | 0 | 111.4 | H339 L340 L341 V346 K347 L362 | H339-Q343 WeakPolarHBondContact O-CB 3.44Å; H339-Q343 PolarHBondContact O-N 2.82Å; L340-Q343 WeakPolarHBondContact O-CB 3.22Å; L340-Q343 PolarHBondContact O-N 3.33Å; L341-Q343 VanDerWaalsContact C-N 3.34Å; Q343-V346 PolarHBondContact O-N 3.34Å; Q343-K347 PolarHBondContact O-N 2.85Å; Q343-K347 VanDerWaalsContact O-N 3.11Å; Q343-L362 HydrophobicContact CB-CD1 4.05Å; Q343-L362 HydrophobicContact CB-CD2 4.22Å |
| 344 | E | 85.8 | Confident | 88.5 | Confident | 72 Ų | 72 | 48.9 Ų | 48.9 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.2 | -39 | 176.5 | -161.1 | 62.3 | -159.9 | 0 | 0 | 111 | L340 L341 V346 K347 H348 | L340-E344 PolarHBondContact O-N 3.08Å; L341-E344 PolarHBondContact O-N 2.93Å; E344-V346 PolarHBondContact O-N 3.14Å; E344-K347 WeakPolarHBondContact O-CB 3.4Å; E344-K347 PolarHBondContact O-N 2.82Å; E344-K347 IonicContact OE1-NZ 2.9Å; E344-K347 PolarHBondContact OE1-NZ 3.11Å; E344-K347 IonicContact OE2-NZ 2.68Å; E344-K347 PolarHBondContact OE2-NZ 3.4Å; E344-H348 PolarHBondContact O-CD2 3.3Å; E344-H348 PolarHBondContact O-N 2.85Å; E344-H348 IonicContact OE1-CD2 3.65Å; E344-H348 IonicContact OE1-CE1 2.66Å; E344-H348 IonicContact OE1-NE2 3.46Å; E344-H348 PolarHBondContact OE1-NE2 3.33Å |
| 345 | L | 90.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60 | -44.7 | 174.1 | -177.7 | 64.5 | 0 | 0 | 0 | 112.4 | R197 C200 L201 I204 L268 L341 L342 K347 H348 T349 L358 | R197-L345 HydrophobicContact CG-CD1 4.07Å; C200-L345 HydrophobicContact CB-CB 4.25Å; C200-L345 HydrophobicContact CB-CD1 3.87Å; L201-L345 HydrophobicContact CD2-CD1 3.89Å; L201-L345 HydrophobicContact CD2-CD2 3.87Å; L201-L345 HydrophobicContact CG-CD1 3.86Å; I204-L345 HydrophobicContact CD1-CD2 4.01Å; L268-L345 HydrophobicContact CD2-CD2 3.84Å; L341-L345 WeakPolarHBondContact O-CB 3.22Å; L341-L345 PolarHBondContact O-N 3.36Å; L342-L345 HydrophobicContact CD2-CD2 4.4Å; L342-L345 PolarHBondContact O-N 3.34Å; L345-K347 VanDerWaalsContact C-N 3.31Å; L345-K347 PolarHBondContact O-N 2.61Å; L345-H348 PolarHBondContact O-N 2.8Å; L345-T349 PolarHBondContact O-N 3.01Å; L345-T349 PolarHBondContact O-OG1 3.15Å; L345-L358 HydrophobicContact CD2-CD1 4.12Å; L345-L358 HydrophobicContact CD2-CD2 3.9Å; L345-L358 HydrophobicContact CG-CD1 4.11Å |
| 346 | V | 92.6 | Very high | 88.6 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 177.7 | 165.9 | 0 | 0 | 0 | 0 | 111.5 | L342 Q343 E344 H348 T349 K355 L358 R359 | L342-V346 WeakPolarHBondContact O-CB 3.22Å; L342-V346 VanDerWaalsContact O-CG2 3.22Å; L342-V346 WeakPolarHBondContact O-CG2 2.92Å; L342-V346 PolarHBondContact O-N 2.85Å; Q343-V346 PolarHBondContact O-N 3.34Å; E344-V346 PolarHBondContact O-N 3.14Å; V346-H348 VanDerWaalsContact C-N 3.3Å; V346-H348 PolarHBondContact O-N 2.95Å; V346-T349 PolarHBondContact O-N 3.22Å; V346-K355 HydrophobicContact CG1-CG 4Å; V346-K355 WeakPolarHBondContact O-CE 3.36Å; V346-L358 HydrophobicContact CG2-CB 3.54Å; V346-R359 HydrophobicContact CG1-CG 3.93Å; V346-R359 HydrophobicContact CG2-CG 4.48Å |
| 347 | K | 91.1 | Very high | 89.3 | Confident | 128 Ų | 128 | 55.4 Ų | 55.4 | 56% | 0.557 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.2 | -40 | -179.6 | -179.2 | -177.1 | 167.4 | -161.9 | 0 | 111.9 | Q343 E344 L345 | Q343-K347 PolarHBondContact O-N 2.85Å; Q343-K347 VanDerWaalsContact O-N 3.11Å; E344-K347 WeakPolarHBondContact O-CB 3.4Å; E344-K347 PolarHBondContact O-N 2.82Å; E344-K347 IonicContact OE1-NZ 2.9Å; E344-K347 PolarHBondContact OE1-NZ 3.11Å; E344-K347 IonicContact OE2-NZ 2.68Å; E344-K347 PolarHBondContact OE2-NZ 3.4Å; L345-K347 VanDerWaalsContact C-N 3.31Å; L345-K347 PolarHBondContact O-N 2.61Å |
| 348 | H | 88.9 | Confident | 89.7 | Confident | 37 Ų | 37 | 53 Ų | 53 | 17% | 0.171 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 14.2 | 179.2 | -56.6 | -65.3 | 0 | 0 | 0 | 113.6 | I196 R197 E344 L345 V346 | I196-H348 HydrophobicContact CG2-CB 4.45Å; I196-H348 VanDerWaalsContact CG2-CD2 3.46Å; I196-H348 WeakPolarHBondContact CG2-CD2 3.29Å; R197-H348 HydrophobicContact CB-CB 4.38Å; E344-H348 PolarHBondContact O-CD2 3.3Å; E344-H348 PolarHBondContact O-N 2.85Å; E344-H348 IonicContact OE1-CD2 3.65Å; E344-H348 IonicContact OE1-CE1 2.66Å; E344-H348 IonicContact OE1-NE2 3.46Å; E344-H348 PolarHBondContact OE1-NE2 3.33Å; L345-H348 PolarHBondContact O-N 2.8Å; V346-H348 VanDerWaalsContact C-N 3.3Å; V346-H348 PolarHBondContact O-N 2.95Å |
| 349 | T | 88.2 | Confident | 89.7 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -95 | 121.1 | 171.2 | -51.2 | 0 | 0 | 0 | 0 | 109.9 | R197 L345 V346 E354 K355 L358 | R197-T349 PolarHBondContact NH1-OG1 2.76Å; L345-T349 PolarHBondContact O-N 3.01Å; L345-T349 PolarHBondContact O-OG1 3.15Å; V346-T349 PolarHBondContact O-N 3.22Å; T349-E354 HydrophobicContact CG2-CB 4.04Å; T349-E354 HydrophobicContact CG2-CG 4.01Å; T349-K355 HydrophobicContact CG2-CB 4.12Å; T349-L358 HydrophobicContact CG2-CD1 4.22Å; T349-L358 WeakPolarHBondContact OG1-CD1 3.45Å | ||
| 350 | H | 88.3 | Confident | 90 | Very high | 175 Ų | 175 | 60.1 Ų | 60.1 | 81% | 0.81 | 32% | 0.315 | S | S | * | . | trans | -94.1 | -28.5 | -179.8 | -59.2 | -60.3 | 0 | 0 | 0 | 113.8 | A352 | H350-A352 PolarHBondContact O-N 3.2Š| ||
| 351 | D | 89.9 | Confident | 90.6 | Very high | 88 Ų | 88 | 56.3 Ų | 56.3 | 47% | 0.471 | 30% | 0.295 | S | S | . | . | trans | -67.8 | 124.9 | 176.5 | -180 | -96.8 | 0 | 0 | 0 | 111 | S353 E354 K355 | D351-S353 PolarHBondContact O-N 2.81Å; D351-S353 WeakPolarHBondContact OD1-CB 3.45Å; D351-S353 PolarHBondContact OD1-N 2.98Å; D351-S353 VanDerWaalsContact OD1-N 3.12Å; D351-E354 HydrophobicContact CB-CB 4.02Å; D351-E354 WeakPolarHBondContact OD1-CB 3.24Å; D351-E354 PolarHBondContact OD1-N 2.83Å; D351-K355 WeakPolarHBondContact O-CB 3.43Å; D351-K355 PolarHBondContact O-N 3.39Å | ||
| 352 | A | 89.9 | Confident | 90.9 | Very high | 79 Ų | 79 | 55.8 Ų | 55.8 | 65% | 0.653 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -67.1 | -36.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113 | H350 S356 | H350-A352 PolarHBondContact O-N 3.2Å; A352-S356 WeakPolarHBondContact O-CB 3.15Å; A352-S356 PolarHBondContact O-N 2.65Å |
| 353 | S | 90.8 | Very high | 90.6 | Very high | 77 Ų | 77 | 58 Ų | 58 | 54% | 0.538 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.5 | -48.1 | -179.9 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | D351 K355 S356 N357 | D351-S353 PolarHBondContact O-N 2.81Å; D351-S353 WeakPolarHBondContact OD1-CB 3.45Å; D351-S353 PolarHBondContact OD1-N 2.98Å; D351-S353 VanDerWaalsContact OD1-N 3.12Å; S353-K355 PolarHBondContact O-N 3.11Å; S353-S356 PolarHBondContact O-N 3.38Å; S353-N357 PolarHBondContact O-N 3.02Å; S353-N357 PolarHBondContact O-ND2 2.98Å |
| 354 | E | 89.1 | Confident | 90.6 | Very high | 37 Ų | 37 | 54 Ų | 54 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.2 | -170 | 172.8 | -148.5 | 0 | 0 | 111.8 | R197 T349 D351 S356 N357 L358 | R197-E354 IonicContact CZ-OE1 3.42Å; R197-E354 IonicContact CZ-OE2 2.67Å; R197-E354 IonicContact NE-OE2 3.29Å; R197-E354 IonicContact NH2-OE1 2.77Å; R197-E354 PolarHBondContact NH2-OE1 2.96Å; R197-E354 IonicContact NH2-OE2 2.73Å; R197-E354 PolarHBondContact NH2-OE2 2.81Å; T349-E354 HydrophobicContact CG2-CB 4.04Å; T349-E354 HydrophobicContact CG2-CG 4.01Å; D351-E354 HydrophobicContact CB-CB 4.02Å; D351-E354 WeakPolarHBondContact OD1-CB 3.24Å; D351-E354 PolarHBondContact OD1-N 2.83Å; E354-S356 VanDerWaalsContact C-N 3.32Å; E354-S356 PolarHBondContact O-N 2.8Å; E354-N357 PolarHBondContact O-N 3.03Å; E354-L358 HydrophobicContact CG-CD1 4.08Å; E354-L358 HydrophobicContact CG-CG 4.45Å; E354-L358 WeakPolarHBondContact O-CB 3.4Å; E354-L358 WeakPolarHBondContact O-CG 3.47Å; E354-L358 PolarHBondContact O-N 3.24Å |
| 355 | K | 91.3 | Very high | 91 | Very high | 57 Ų | 57 | 50.6 Ų | 50.6 | 25% | 0.248 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 175.3 | -167.9 | 176.5 | -168.3 | 166 | 0 | 111.7 | V346 T349 D351 S353 R359 | V346-K355 HydrophobicContact CG1-CG 4Å; V346-K355 WeakPolarHBondContact O-CE 3.36Å; T349-K355 HydrophobicContact CG2-CB 4.12Å; D351-K355 WeakPolarHBondContact O-CB 3.43Å; D351-K355 PolarHBondContact O-N 3.39Å; S353-K355 PolarHBondContact O-N 3.11Å; K355-R359 WeakPolarHBondContact O-CB 3.5Å; K355-R359 VanDerWaalsContact O-CG 3.3Å; K355-R359 WeakPolarHBondContact O-CG 3.3Å; K355-R359 PolarHBondContact O-N 3.12Å |
| 356 | S | 92.2 | Very high | 90.7 | Very high | 64 Ų | 64 | 52.5 Ų | 52.5 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 175.3 | 179.9 | 0 | 0 | 0 | 0 | 112.3 | A352 S353 E354 R359 T360 | A352-S356 WeakPolarHBondContact O-CB 3.15Å; A352-S356 PolarHBondContact O-N 2.65Å; S353-S356 PolarHBondContact O-N 3.38Å; E354-S356 VanDerWaalsContact C-N 3.32Å; E354-S356 PolarHBondContact O-N 2.8Å; S356-R359 WeakPolarHBondContact O-CB 3.34Å; S356-R359 PolarHBondContact O-N 2.97Å; S356-T360 PolarHBondContact O-N 3.16Å; S356-T360 PolarHBondContact O-OG1 3.05Å |
| 357 | N | 93.6 | Very high | 90.4 | Very high | 48 Ų | 48 | 52.1 Ų | 52.1 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 176.2 | -72.8 | -25.5 | 0 | 0 | 0 | 111.9 | Y269 S353 E354 R359 T360 A361 | Y269-N357 WeakPolarHBondContact CB-O 3.46Å; Y269-N357 HydrophobicContact CD1-CB 3.71Å; Y269-N357 HydrophobicContact CD2-CB 3.75Å; Y269-N357 HydrophobicContact CE1-CB 3.81Å; Y269-N357 HydrophobicContact CE2-CB 3.86Å; Y269-N357 HydrophobicContact CG-CB 3.67Å; S353-N357 PolarHBondContact O-N 3.02Å; S353-N357 PolarHBondContact O-ND2 2.98Å; E354-N357 PolarHBondContact O-N 3.03Å; N357-R359 VanDerWaalsContact C-N 3.35Å; N357-R359 PolarHBondContact O-N 3.44Å; N357-T360 WeakPolarHBondContact O-CB 3.38Å; N357-T360 PolarHBondContact O-N 2.94Å; N357-T360 VanDerWaalsContact O-N 3.16Å; N357-A361 PolarHBondContact O-N 3.44Å |
| 358 | L | 93.6 | Very high | 90.2 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.8 | -34.2 | 176.6 | -72.9 | 170.6 | 0 | 0 | 0 | 112.5 | L345 V346 T349 E354 T360 A361 L362 | L345-L358 HydrophobicContact CD2-CD1 4.12Å; L345-L358 HydrophobicContact CD2-CD2 3.9Å; L345-L358 HydrophobicContact CG-CD1 4.11Å; V346-L358 HydrophobicContact CG2-CB 3.54Å; T349-L358 HydrophobicContact CG2-CD1 4.22Å; T349-L358 WeakPolarHBondContact OG1-CD1 3.45Å; E354-L358 HydrophobicContact CG-CD1 4.08Å; E354-L358 HydrophobicContact CG-CG 4.45Å; E354-L358 WeakPolarHBondContact O-CB 3.4Å; E354-L358 WeakPolarHBondContact O-CG 3.47Å; E354-L358 PolarHBondContact O-N 3.24Å; L358-T360 VanDerWaalsContact C-N 3.28Å; L358-T360 PolarHBondContact O-N 3.44Å; L358-A361 PolarHBondContact O-N 3Å; L358-L362 WeakPolarHBondContact O-CB 3.31Å; L358-L362 PolarHBondContact O-N 2.97Å |
| 359 | R | 93.1 | Very high | 89.8 | Confident | 112 Ų | 112 | 44.6 Ų | 44.6 | 42% | 0.423 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.6 | -39.6 | 171.1 | -80 | 172.3 | 178.4 | 171.7 | -5 | 111.8 | V346 K355 S356 N357 A361 L362 D363 | V346-R359 HydrophobicContact CG1-CG 3.93Å; V346-R359 HydrophobicContact CG2-CG 4.48Å; K355-R359 WeakPolarHBondContact O-CB 3.5Å; K355-R359 VanDerWaalsContact O-CG 3.3Å; K355-R359 WeakPolarHBondContact O-CG 3.3Å; K355-R359 PolarHBondContact O-N 3.12Å; S356-R359 WeakPolarHBondContact O-CB 3.34Å; S356-R359 PolarHBondContact O-N 2.97Å; N357-R359 VanDerWaalsContact C-N 3.35Å; N357-R359 PolarHBondContact O-N 3.44Å; R359-A361 VanDerWaalsContact C-N 3.33Å; R359-A361 PolarHBondContact O-N 3.4Å; R359-L362 WeakPolarHBondContact O-CB 3.46Å; R359-L362 PolarHBondContact O-N 3.23Å; R359-D363 PolarHBondContact O-N 3.36Å |
| 360 | T | 92.4 | Very high | 89.4 | Confident | 75 Ų | 75 | 45.6 Ų | 45.6 | 46% | 0.46 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 176.2 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | I273 S356 N357 L358 A364 | I273-T360 HydrophobicContact CD1-CG2 3.8Å; S356-T360 PolarHBondContact O-N 3.16Å; S356-T360 PolarHBondContact O-OG1 3.05Å; N357-T360 WeakPolarHBondContact O-CB 3.38Å; N357-T360 PolarHBondContact O-N 2.94Å; N357-T360 VanDerWaalsContact O-N 3.16Å; L358-T360 VanDerWaalsContact C-N 3.28Å; L358-T360 PolarHBondContact O-N 3.44Å; T360-A364 PolarHBondContact O-N 3.13Å; T360-A364 VanDerWaalsContact O-N 3.09Å |
| 361 | A | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.7 | -38.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F272 I273 L342 N357 L358 R359 D363 A364 M365 | F272-A361 HydrophobicContact CB-CB 4.08Å; I273-A361 HydrophobicContact CG1-CB 4.27Å; L342-A361 HydrophobicContact CD1-CB 4.24Å; N357-A361 PolarHBondContact O-N 3.44Å; L358-A361 PolarHBondContact O-N 3Å; R359-A361 VanDerWaalsContact C-N 3.33Å; R359-A361 PolarHBondContact O-N 3.4Å; A361-D363 VanDerWaalsContact C-N 3.35Å; A361-A364 WeakPolarHBondContact O-CB 3.44Å; A361-A364 PolarHBondContact O-N 3.42Å; A361-M365 PolarHBondContact O-N 3.28Å |
| 362 | L | 92.1 | Very high | 88.9 | Confident | 11 Ų | 11 | 34 Ų | 34 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 173.9 | 173.1 | 59.6 | 0 | 0 | 0 | 110.9 | H339 L342 Q343 L358 R359 A364 M365 K366 | H339-L362 HydrophobicContact CB-CD1 3.96Å; H339-L362 WeakPolarHBondContact O-CD1 3.4Å; L342-L362 HydrophobicContact CB-CB 4.3Å; L342-L362 HydrophobicContact CB-CD1 4.07Å; Q343-L362 HydrophobicContact CB-CD1 4.05Å; Q343-L362 HydrophobicContact CB-CD2 4.22Å; L358-L362 WeakPolarHBondContact O-CB 3.31Å; L358-L362 PolarHBondContact O-N 2.97Å; R359-L362 WeakPolarHBondContact O-CB 3.46Å; R359-L362 PolarHBondContact O-N 3.23Å; L362-A364 VanDerWaalsContact C-N 3.31Å; L362-A364 PolarHBondContact O-N 3.25Å; L362-M365 PolarHBondContact O-N 2.99Å; L362-K366 HydrophobicContact CD1-CD 4.22Å; L362-K366 HydrophobicContact CD1-CG 4.26Å; L362-K366 HydrophobicContact CG-CD 4.08Å; L362-K366 WeakPolarHBondContact O-CB 3.45Å; L362-K366 WeakPolarHBondContact O-CG 3.46Å; L362-K366 PolarHBondContact O-N 3.13Å |
| 363 | D | 86.6 | Confident | 88.4 | Confident | 49 Ų | 49 | 31.4 Ų | 31.4 | 26% | 0.262 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.9 | -37.2 | 177.5 | -69.7 | -17.5 | 0 | 0 | 0 | 111.7 | R359 A361 K366 D367 | R359-D363 PolarHBondContact O-N 3.36Å; A361-D363 VanDerWaalsContact C-N 3.35Å; D363-K366 PolarHBondContact O-N 2.85Å; D363-D367 WeakPolarHBondContact O-CB 2.91Å; D363-D367 PolarHBondContact O-N 3.07Å |
| 364 | A | 89.3 | Confident | 88 | Confident | 9 Ų | 9 | 28.4 Ų | 28.4 | 7% | 0.074 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I273 K276 T360 A361 L362 D367 L368 | I273-A364 HydrophobicContact CG1-CB 4.34Å; K276-A364 HydrophobicContact CD-CB 4.01Å; T360-A364 PolarHBondContact O-N 3.13Å; T360-A364 VanDerWaalsContact O-N 3.09Å; A361-A364 WeakPolarHBondContact O-CB 3.44Å; A361-A364 PolarHBondContact O-N 3.42Å; L362-A364 VanDerWaalsContact C-N 3.31Å; L362-A364 PolarHBondContact O-N 3.25Å; A364-D367 PolarHBondContact O-N 3.02Å; A364-L368 PolarHBondContact O-N 2.96Å; A364-L368 VanDerWaalsContact O-N 3.13Å |
| 365 | M | 93 | Very high | 87.8 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -75.4 | -32 | 178.5 | -67 | -59.3 | 99.5 | 0 | 0 | 112.9 | F272 K276 L279 Y338 H339 L342 A361 L362 L368 A369 | F272-M365 HydrophobicContact CB-CE 4.35Å; F272-M365 HydrophobicContact CB-CG 4.47Å; F272-M365 HydrophobicContact CD1-CE 4.49Å; F272-M365 HydrophobicContact CD1-CG 4.06Å; F272-M365 HydrophobicContact CD1-SD 3.8Å; F272-M365 VanDerWaalsContact O-CE 3.29Å; F272-M365 WeakPolarHBondContact O-CE 3.46Å; K276-M365 HydrophobicContact CB-CE 4.01Å; K276-M365 HydrophobicContact CG-CE 4.37Å; L279-M365 HydrophobicContact CD1-CE 4.3Å; L279-M365 HydrophobicContact CD1-SD 4.2Å; Y338-M365 HydrophobicContact CG-SD 4.33Å; H339-M365 HydrophobicContact CB-CB 4.14Å; L342-M365 HydrophobicContact CD1-CB 4.2Å; L342-M365 HydrophobicContact CD1-CG 3.59Å; A361-M365 PolarHBondContact O-N 3.28Å; L362-M365 PolarHBondContact O-N 2.99Å; M365-L368 HydrophobicContact CE-CD2 4.28Å; M365-L368 PolarHBondContact O-N 2.9Å; M365-L368 HydrophobicContact SD-CD2 4.05Å; M365-A369 PolarHBondContact O-N 3.23Å |
| 366 | K | 84.8 | Confident | 86.9 | Confident | 41 Ų | 41 | 26.2 Ų | 26.2 | 18% | 0.178 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 168.9 | -80.2 | 172.3 | 168.6 | -176.8 | 0 | 111.5 | H339 L362 D363 L368 A369 Q370 T857 | H339-K366 HydrophobicContact CB-CG 3.9Å; L362-K366 HydrophobicContact CD1-CD 4.22Å; L362-K366 HydrophobicContact CD1-CG 4.26Å; L362-K366 HydrophobicContact CG-CD 4.08Å; L362-K366 WeakPolarHBondContact O-CB 3.45Å; L362-K366 WeakPolarHBondContact O-CG 3.46Å; L362-K366 PolarHBondContact O-N 3.13Å; D363-K366 PolarHBondContact O-N 2.85Å; K366-L368 VanDerWaalsContact C-N 3.33Å; K366-L368 PolarHBondContact O-N 3.46Å; K366-A369 PolarHBondContact O-N 3.47Å; K366-Q370 WeakPolarHBondContact O-CG 3.43Å; K366-Q370 PolarHBondContact O-N 3.1Å; K366-T857 HydrophobicContact CB-CG2 3.88Å; K366-T857 HydrophobicContact CD-CG2 3.57Å; K366-T857 HydrophobicContact CG-CG2 3.8Å |
| 367 | D | 85.6 | Confident | 86.4 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.011 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.1 | -39 | 176.6 | -168.3 | 38.9 | 0 | 0 | 0 | 112.2 | K276 D363 A364 Q370 Y371 M536 L537 R539 | K276-D367 WeakPolarHBondContact CE-OD2 3.36Å; K276-D367 IonicContact NZ-OD2 3.65Å; K276-D367 PolarHBondContact NZ-OD2 3.04Å; D363-D367 WeakPolarHBondContact O-CB 2.91Å; D363-D367 PolarHBondContact O-N 3.07Å; A364-D367 PolarHBondContact O-N 3.02Å; D367-Q370 PolarHBondContact O-N 3.34Å; D367-Y371 WeakPolarHBondContact O-CB 3.25Å; D367-Y371 PolarHBondContact O-N 2.85Å; D367-M536 HydrophobicContact CB-CE 3.59Å; D367-M536 VanDerWaalsContact CG-CE 3.4Å; D367-L537 PolarHBondContact OD2-N 3.44Å; D367-R539 IonicContact OD1-CZ 3.92Å; D367-R539 IonicContact OD1-NE 3.55Å; D367-R539 PolarHBondContact OD1-NE 3.25Å; D367-R539 IonicContact OD1-NH2 3.87Å; D367-R539 PolarHBondContact OD1-NH2 2.95Å |
| 368 | L | 87.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 173.3 | 174.2 | 63.7 | 0 | 0 | 0 | 111.7 | L279 L280 V335 A364 M365 K366 Q370 Y371 V372 | L279-L368 HydrophobicContact CB-CD1 4.13Å; L279-L368 HydrophobicContact CB-CD2 3.59Å; L279-L368 HydrophobicContact CD1-CD2 3.76Å; L279-L368 HydrophobicContact CG-CD2 4.29Å; L280-L368 HydrophobicContact CD2-CD1 3.65Å; L280-L368 HydrophobicContact CG-CD1 4.47Å; V335-L368 HydrophobicContact CG2-CD1 4.47Å; V335-L368 HydrophobicContact CG2-CD2 3.69Å; V335-L368 HydrophobicContact CG2-CG 3.88Å; A364-L368 PolarHBondContact O-N 2.96Å; A364-L368 VanDerWaalsContact O-N 3.13Å; M365-L368 HydrophobicContact CE-CD2 4.28Å; M365-L368 PolarHBondContact O-N 2.9Å; M365-L368 HydrophobicContact SD-CD2 4.05Å; K366-L368 VanDerWaalsContact C-N 3.33Å; K366-L368 PolarHBondContact O-N 3.46Å; L368-Q370 VanDerWaalsContact C-N 3.33Å; L368-Q370 PolarHBondContact O-N 2.84Å; L368-Y371 WeakPolarHBondContact O-CB 3.29Å; L368-Y371 PolarHBondContact O-N 2.83Å; L368-V372 HydrophobicContact CD1-CG2 4.47Å; L368-V372 WeakPolarHBondContact O-CG2 3.24Å; L368-V372 PolarHBondContact O-N 3.35Å |
| 369 | A | 80.5 | Confident | 85.6 | Confident | 7 Ų | 7 | 26.2 Ų | 26.2 | 6% | 0.058 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L336 M365 K366 V372 N373 | L336-A369 HydrophobicContact CD2-CB 3.85Å; M365-A369 PolarHBondContact O-N 3.23Å; K366-A369 PolarHBondContact O-N 3.47Å; A369-V372 PolarHBondContact O-N 3.36Å; A369-N373 VanDerWaalsContact O-CG 3.31Å; A369-N373 PolarHBondContact O-N 3.32Å; A369-N373 PolarHBondContact O-ND2 3.21Å |
| 370 | Q | 80.8 | Confident | 85 | Confident | 22 Ų | 22 | 24.9 Ų | 24.9 | 10% | 0.103 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.2 | -43.5 | 174.1 | -73.5 | 179.3 | -3.4 | 0 | 0 | 112.1 | K366 D367 L368 V372 N373 E374 T857 | K366-Q370 WeakPolarHBondContact O-CG 3.43Å; K366-Q370 PolarHBondContact O-N 3.1Å; D367-Q370 PolarHBondContact O-N 3.34Å; L368-Q370 VanDerWaalsContact C-N 3.33Å; L368-Q370 PolarHBondContact O-N 2.84Å; Q370-V372 VanDerWaalsContact C-N 3.35Å; Q370-V372 PolarHBondContact O-N 2.88Å; Q370-N373 PolarHBondContact O-N 3.33Å; Q370-E374 WeakPolarHBondContact O-CG 3.39Å; Q370-E374 PolarHBondContact O-N 3.37Å; Q370-T857 PolarHBondContact NE2-OG1 3.42Å |
| 371 | Y | 85.7 | Confident | 84.7 | Confident | 16 Ų | 16 | 22.2 Ų | 22.2 | 6% | 0.063 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.3 | -48.7 | 175.8 | 168 | -95.6 | 0 | 0 | 0 | 111.6 | L280 D367 L368 N373 E374 V375 L537 R539 | L280-Y371 HydrophobicContact CB-CE1 4.14Å; L280-Y371 HydrophobicContact CD2-CD1 3.44Å; L280-Y371 VanDerWaalsContact CD2-CD1 3.44Å; L280-Y371 HydrophobicContact CD2-CD2 4.37Å; L280-Y371 HydrophobicContact CD2-CE1 3.68Å; L280-Y371 HydrophobicContact CD2-CG 3.81Å; D367-Y371 WeakPolarHBondContact O-CB 3.25Å; D367-Y371 PolarHBondContact O-N 2.85Å; L368-Y371 WeakPolarHBondContact O-CB 3.29Å; L368-Y371 PolarHBondContact O-N 2.83Å; Y371-N373 VanDerWaalsContact C-N 3.32Å; Y371-N373 PolarHBondContact O-N 3.28Å; Y371-E374 PolarHBondContact O-N 2.94Å; Y371-V375 HydrophobicContact CD1-CG2 4.28Å; Y371-V375 HydrophobicContact CD2-CG2 4.21Å; Y371-V375 HydrophobicContact CE1-CG2 3.86Å; Y371-V375 HydrophobicContact CE2-CG2 3.75Å; Y371-V375 HydrophobicContact CG-CG2 4.45Å; Y371-V375 VanDerWaalsContact O-CG2 3.28Å; Y371-V375 WeakPolarHBondContact O-CG2 3.46Å; Y371-V375 PolarHBondContact O-N 3.29Å; Y371-L537 HydrophobicContact CD2-CD1 4.41Å; Y371-L537 HydrophobicContact CG-CD1 4.31Å; Y371-R539 HydrophobicContact CD2-CB 4.5Å |
| 372 | V | 81 | Confident | 84.4 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.4 | -43 | 178.4 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | C286 V335 L368 A369 Q370 V375 K376 | C286-V372 HydrophobicContact CB-CG1 3.64Å; C286-V372 VanDerWaalsContact SG-CG1 3.5Å; V335-V372 HydrophobicContact CG1-CG2 4.44Å; V335-V372 HydrophobicContact CG2-CG2 4.38Å; L368-V372 HydrophobicContact CD1-CG2 4.47Å; L368-V372 WeakPolarHBondContact O-CG2 3.24Å; L368-V372 PolarHBondContact O-N 3.35Å; A369-V372 PolarHBondContact O-N 3.36Å; Q370-V372 VanDerWaalsContact C-N 3.35Å; Q370-V372 PolarHBondContact O-N 2.88Å; V372-V375 PolarHBondContact O-N 3.14Å; V372-K376 PolarHBondContact O-N 3.17Å |
| 373 | N | 78.9 | Confident | 84.1 | Confident | 25 Ų | 25 | 28.3 Ų | 28.3 | 13% | 0.134 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.8 | -69.8 | -22.7 | 0 | 0 | 0 | 112.5 | A369 Q370 Y371 K376 R377 | A369-N373 VanDerWaalsContact O-CG 3.31Å; A369-N373 PolarHBondContact O-N 3.32Å; A369-N373 PolarHBondContact O-ND2 3.21Å; Q370-N373 PolarHBondContact O-N 3.33Å; Y371-N373 VanDerWaalsContact C-N 3.32Å; Y371-N373 PolarHBondContact O-N 3.28Å; N373-K376 PolarHBondContact O-N 2.92Å; N373-R377 WeakPolarHBondContact O-CB 3.26Å; N373-R377 PolarHBondContact O-N 3.45Å |
| 374 | E | 84.1 | Confident | 84 | Confident | 13 Ų | 13 | 27.4 Ų | 27.4 | 6% | 0.061 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.7 | -38 | 176.5 | -66.9 | -55.7 | 144.6 | 0 | 0 | 112 | Q370 Y371 K376 R377 D378 R539 R818 | Q370-E374 WeakPolarHBondContact O-CG 3.39Å; Q370-E374 PolarHBondContact O-N 3.37Å; Y371-E374 PolarHBondContact O-N 2.94Å; E374-K376 VanDerWaalsContact C-N 3.34Å; E374-K376 PolarHBondContact O-N 3.07Å; E374-R377 PolarHBondContact O-N 3.42Å; E374-R377 IonicContact OE1-CZ 3.4Å; E374-R377 IonicContact OE1-NH1 2.67Å; E374-R377 PolarHBondContact OE1-NH1 3.08Å; E374-R377 IonicContact OE1-NH2 3.02Å; E374-R377 IonicContact OE2-CZ 3.16Å; E374-R377 IonicContact OE2-NH1 3.92Å; E374-R377 PolarHBondContact OE2-NH1 3.41Å; E374-D378 WeakPolarHBondContact O-CB 3.15Å; E374-D378 PolarHBondContact O-N 2.94Å; E374-R539 HydrophobicContact CB-CB 3.84Å; E374-R539 HydrophobicContact CG-CB 3.6Å; E374-R818 IonicContact OE2-CZ 3.55Å; E374-R818 IonicContact OE2-NH1 2.75Å; E374-R818 PolarHBondContact OE2-NH1 3.21Å |
| 375 | V | 82.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 175.5 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | G283 Y371 V372 N379 V541 | G283-V375 WeakPolarHBondContact O-CG1 3.42Å; Y371-V375 HydrophobicContact CD1-CG2 4.28Å; Y371-V375 HydrophobicContact CD2-CG2 4.21Å; Y371-V375 HydrophobicContact CE1-CG2 3.86Å; Y371-V375 HydrophobicContact CE2-CG2 3.75Å; Y371-V375 HydrophobicContact CG-CG2 4.45Å; Y371-V375 VanDerWaalsContact O-CG2 3.28Å; Y371-V375 WeakPolarHBondContact O-CG2 3.46Å; Y371-V375 PolarHBondContact O-N 3.29Å; V372-V375 PolarHBondContact O-N 3.14Å; V375-N379 PolarHBondContact O-N 2.8Å; V375-N379 VanDerWaalsContact O-N 3.16Å; V375-N379 PolarHBondContact O-ND2 2.92Å; V375-V541 HydrophobicContact CG1-CG1 3.96Å; V375-V541 HydrophobicContact CG2-CG1 4.12Å |
| 376 | K | 73.7 | Confident | 84.1 | Confident | 49 Ų | 49 | 31.6 Ų | 31.6 | 21% | 0.213 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.4 | -49 | 174.3 | -178.1 | 172.5 | -179.5 | 166 | 0 | 111.3 | E290 M332 V372 N373 E374 D378 N379 E380 | E290-K376 WeakPolarHBondContact OE1-CE 3.28Å; E290-K376 IonicContact OE1-NZ 3.66Å; E290-K376 PolarHBondContact OE1-NZ 3.31Å; M332-K376 HydrophobicContact CE-CD 4.41Å; V372-K376 PolarHBondContact O-N 3.17Å; N373-K376 PolarHBondContact O-N 2.92Å; E374-K376 VanDerWaalsContact C-N 3.34Å; E374-K376 PolarHBondContact O-N 3.07Å; K376-D378 PolarHBondContact O-N 2.86Å; K376-N379 PolarHBondContact O-N 2.85Å; K376-E380 WeakPolarHBondContact CE-OE1 3.37Å; K376-E380 PolarHBondContact O-N 2.84Å |
| 377 | R | 80.8 | Confident | 84.2 | Confident | 80 Ų | 80 | 31.7 Ų | 31.7 | 30% | 0.302 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -59.2 | -46.3 | 179.8 | -171.7 | -174.8 | -65.6 | 148.9 | -8.7 | 112.3 | N373 E374 N379 E380 T381 | N373-R377 WeakPolarHBondContact O-CB 3.26Å; N373-R377 PolarHBondContact O-N 3.45Å; E374-R377 PolarHBondContact O-N 3.42Å; E374-R377 IonicContact OE1-CZ 3.4Å; E374-R377 IonicContact OE1-NH1 2.67Å; E374-R377 PolarHBondContact OE1-NH1 3.08Å; E374-R377 IonicContact OE1-NH2 3.02Å; E374-R377 IonicContact OE2-CZ 3.16Å; E374-R377 IonicContact OE2-NH1 3.92Å; E374-R377 PolarHBondContact OE2-NH1 3.41Å; R377-N379 VanDerWaalsContact C-N 3.28Å; R377-N379 PolarHBondContact O-N 3.17Å; R377-E380 WeakPolarHBondContact O-CB 3.32Å; R377-E380 PolarHBondContact O-N 3.1Å; R377-T381 PolarHBondContact O-N 3.4Å; R377-T381 PolarHBondContact O-OG1 2.85Å |
| 378 | D | 87.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.2 | -35.5 | 178.8 | -81.1 | -8.9 | 0 | 0 | 0 | 111.9 | E374 K376 T381 L382 R404 G540 V541 F542 | E374-D378 WeakPolarHBondContact O-CB 3.15Å; E374-D378 PolarHBondContact O-N 2.94Å; K376-D378 PolarHBondContact O-N 2.86Å; D378-T381 PolarHBondContact O-N 3.18Å; D378-L382 WeakPolarHBondContact O-CB 3.5Å; D378-L382 VanDerWaalsContact O-CG 3.26Å; D378-L382 WeakPolarHBondContact O-CG 3.42Å; D378-L382 PolarHBondContact O-N 3.45Å; D378-R404 IonicContact OD1-CZ 2.7Å; D378-R404 IonicContact OD1-NE 3.96Å; D378-R404 PolarHBondContact OD1-NE 3.34Å; D378-R404 IonicContact OD1-NH2 3.91Å; D378-R404 PolarHBondContact OD1-NH2 3.36Å; D378-R404 IonicContact OD2-NH2 3.16Å; D378-R404 PolarHBondContact OD2-NH2 2.97Å; D378-G540 WeakPolarHBondContact OD2-CA 3.3Å; D378-V541 HydrophobicContact CB-CG2 3.63Å; D378-V541 PolarHBondContact OD2-N 3Å; D378-F542 HydrophobicContact CB-CB 4.04Å; D378-F542 PolarHBondContact OD2-N 3.47Å |
| 379 | N | 82.7 | Confident | 84.9 | Confident | 35 Ų | 35 | 35.4 Ų | 35.4 | 19% | 0.187 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.8 | -38 | 174.3 | -81.2 | -82.7 | 0 | 0 | 0 | 112.3 | S287 V375 K376 R377 L382 R383 | S287-N379 WeakPolarHBondContact CB-ND2 3.27Å; V375-N379 PolarHBondContact O-N 2.8Å; V375-N379 VanDerWaalsContact O-N 3.16Å; V375-N379 PolarHBondContact O-ND2 2.92Å; K376-N379 PolarHBondContact O-N 2.85Å; R377-N379 VanDerWaalsContact C-N 3.28Å; R377-N379 PolarHBondContact O-N 3.17Å; N379-L382 PolarHBondContact O-N 3.17Å; N379-R383 WeakPolarHBondContact O-CG 3.24Å; N379-R383 PolarHBondContact O-N 2.61Å |
| 380 | E | 80.3 | Confident | 85.5 | Confident | 84 Ų | 84 | 43.9 Ų | 43.9 | 39% | 0.393 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61 | -46.3 | 170.7 | -71.2 | 169.3 | -176.1 | 0 | 0 | 111.4 | K376 R377 L382 R383 E384 | K376-E380 WeakPolarHBondContact CE-OE1 3.37Å; K376-E380 PolarHBondContact O-N 2.84Å; R377-E380 WeakPolarHBondContact O-CB 3.32Å; R377-E380 PolarHBondContact O-N 3.1Å; E380-L382 PolarHBondContact O-N 3Å; E380-R383 WeakPolarHBondContact O-CB 3.41Å; E380-R383 PolarHBondContact O-N 2.89Å; E380-E384 PolarHBondContact O-N 3.01Å |
| 381 | T | 86.1 | Confident | 86 | Confident | 19 Ų | 19 | 43.3 Ų | 43.3 | 12% | 0.117 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 174.8 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | R377 D378 R383 E384 I385 R404 P405 F542 | R377-T381 PolarHBondContact O-N 3.4Å; R377-T381 PolarHBondContact O-OG1 2.85Å; D378-T381 PolarHBondContact O-N 3.18Å; T381-R383 VanDerWaalsContact C-N 3.33Å; T381-R383 PolarHBondContact O-N 3.4Å; T381-E384 WeakPolarHBondContact O-CB 3.4Å; T381-E384 PolarHBondContact O-N 2.82Å; T381-I385 HydrophobicContact CG2-CD1 4Å; T381-I385 HydrophobicContact CG2-CG1 4.39Å; T381-I385 WeakPolarHBondContact O-CG1 3.37Å; T381-I385 PolarHBondContact O-N 3.12Å; T381-R404 HydrophobicContact CG2-CB 4.42Å; T381-R404 HydrophobicContact CG2-CG 4.22Å; T381-P405 HydrophobicContact CG2-CG 4.24Å; T381-F542 HydrophobicContact CG2-CE1 4.47Å |
| 382 | L | 89.1 | Confident | 86.4 | Confident | 55 Ų | 55 | 42.9 Ų | 42.9 | 29% | 0.288 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 176.9 | -73.9 | 169.1 | 0 | 0 | 0 | 112.2 | D378 N379 E380 I385 E386 V541 F542 | D378-L382 WeakPolarHBondContact O-CB 3.5Å; D378-L382 VanDerWaalsContact O-CG 3.26Å; D378-L382 WeakPolarHBondContact O-CG 3.42Å; D378-L382 PolarHBondContact O-N 3.45Å; N379-L382 PolarHBondContact O-N 3.17Å; E380-L382 PolarHBondContact O-N 3Å; L382-I385 PolarHBondContact O-N 2.89Å; L382-E386 PolarHBondContact O-N 3.09Å; L382-V541 HydrophobicContact CD1-CG2 4.42Å; L382-F542 HydrophobicContact CD1-CB 4.37Å; L382-F542 HydrophobicContact CD2-CD1 4.28Å; L382-F542 HydrophobicContact CD2-CD2 3.86Å; L382-F542 HydrophobicContact CD2-CE1 4.43Å; L382-F542 HydrophobicContact CD2-CE2 4.02Å; L382-F542 HydrophobicContact CD2-CG 3.99Å; L382-F542 HydrophobicContact CD2-CZ 4.3Å; L382-F542 HydrophobicContact CG-CB 4.46Å; L382-F542 HydrophobicContact CG-CG 4.32Å |
| 383 | R | 84.5 | Confident | 87 | Confident | 85 Ų | 85 | 47.1 Ų | 47.1 | 32% | 0.321 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.7 | -40.6 | 173.1 | -73.5 | -174.6 | -70.2 | -155.6 | 7.5 | 111.7 | E290 N379 E380 T381 E386 Q387 | E290-R383 IonicContact OE2-CZ 3.53Å; E290-R383 IonicContact OE2-NH1 2.73Å; E290-R383 PolarHBondContact OE2-NH1 2.93Å; E290-R383 IonicContact OE2-NH2 3.72Å; E290-R383 PolarHBondContact OE2-NH2 3.45Å; E290-R383 VanDerWaalsContact OE2-NH2 3.15Å; N379-R383 WeakPolarHBondContact O-CG 3.24Å; N379-R383 PolarHBondContact O-N 2.61Å; E380-R383 WeakPolarHBondContact O-CB 3.41Å; E380-R383 PolarHBondContact O-N 2.89Å; T381-R383 VanDerWaalsContact C-N 3.33Å; T381-R383 PolarHBondContact O-N 3.4Å; R383-E386 PolarHBondContact O-N 3.41Å; R383-Q387 WeakPolarHBondContact O-CG 3.48Å; R383-Q387 PolarHBondContact O-N 3.49Å |
| 384 | E | 85.8 | Confident | 87.7 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 174.2 | -178.8 | -173.9 | -175.8 | 0 | 0 | 111.5 | L71 E380 T381 E386 Q387 Y388 | L71-E384 HydrophobicContact CD1-CG 4.14Å; L71-E384 WeakPolarHBondContact CD1-OE1 3.42Å; L71-E384 HydrophobicContact CD2-CG 4.27Å; E380-E384 PolarHBondContact O-N 3.01Å; T381-E384 WeakPolarHBondContact O-CB 3.4Å; T381-E384 PolarHBondContact O-N 2.82Å; E384-E386 VanDerWaalsContact C-N 3.28Å; E384-E386 PolarHBondContact O-N 3.05Å; E384-Q387 WeakPolarHBondContact O-CA 3.29Å; E384-Q387 WeakPolarHBondContact O-CB 3.45Å; E384-Q387 PolarHBondContact O-N 3.27Å; E384-Y388 HydrophobicContact CG-CD2 4.29Å; E384-Y388 HydrophobicContact CG-CE1 4.46Å; E384-Y388 HydrophobicContact CG-CE2 3.73Å; E384-Y388 PolarHBondContact O-N 3.12Å; E384-Y388 PolarHBondContact OE1-OH 3.26Å |
| 385 | I | 92.4 | Very high | 88.1 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.5 | -41.4 | 176.3 | -67.5 | 174 | 0 | 0 | 0 | 110.9 | T381 L382 Q387 Y388 Q389 L399 P405 F429 F542 | T381-I385 HydrophobicContact CG2-CD1 4Å; T381-I385 HydrophobicContact CG2-CG1 4.39Å; T381-I385 WeakPolarHBondContact O-CG1 3.37Å; T381-I385 PolarHBondContact O-N 3.12Å; L382-I385 PolarHBondContact O-N 2.89Å; I385-Q387 VanDerWaalsContact C-N 3.33Å; I385-Q387 PolarHBondContact O-N 3.34Å; I385-Y388 PolarHBondContact O-N 3.28Å; I385-Q389 WeakPolarHBondContact O-CB 3.48Å; I385-Q389 PolarHBondContact O-N 3.24Å; I385-L399 HydrophobicContact CG2-CB 3.62Å; I385-P405 HydrophobicContact CG1-CG 4.48Å; I385-F429 HydrophobicContact CD1-CE1 4.41Å; I385-F429 HydrophobicContact CG1-CE1 4.08Å; I385-F542 HydrophobicContact CD1-CE1 3.68Å; I385-F542 HydrophobicContact CD1-CZ 3.84Å |
| 386 | E | 90.6 | Very high | 88.3 | Confident | 93 Ų | 93 | 58.7 Ų | 58.7 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 175.9 | -168 | -177.1 | -171.9 | 0 | 0 | 111.8 | L382 R383 E384 Q389 R390 | L382-E386 PolarHBondContact O-N 3.09Å; R383-E386 PolarHBondContact O-N 3.41Å; E384-E386 VanDerWaalsContact C-N 3.28Å; E384-E386 PolarHBondContact O-N 3.05Å; E386-Q389 PolarHBondContact O-N 2.71Å; E386-R390 WeakPolarHBondContact O-CG 3.44Å; E386-R390 PolarHBondContact O-N 3.01Å; E386-R390 IonicContact OE1-CZ 2.9Å; E386-R390 IonicContact OE1-NE 2.97Å; E386-R390 IonicContact OE1-NH2 3.1Å; E386-R390 PolarHBondContact OE1-NH2 2.95Å; E386-R390 IonicContact OE2-NH2 3.15Å |
| 387 | Q | 88.6 | Confident | 89.1 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 174.7 | -69.3 | 176.8 | 36.2 | 0 | 0 | 111.9 | F70 K74 R383 E384 I385 Q389 R390 S391 | F70-Q387 HydrophobicContact CE1-CB 4.3Å; K74-Q387 VanDerWaalsContact NZ-CD 3.32Å; R383-Q387 WeakPolarHBondContact O-CG 3.48Å; R383-Q387 PolarHBondContact O-N 3.49Å; E384-Q387 WeakPolarHBondContact O-CA 3.29Å; E384-Q387 WeakPolarHBondContact O-CB 3.45Å; E384-Q387 PolarHBondContact O-N 3.27Å; I385-Q387 VanDerWaalsContact C-N 3.33Å; I385-Q387 PolarHBondContact O-N 3.34Å; Q387-Q389 VanDerWaalsContact C-N 3.32Å; Q387-Q389 PolarHBondContact O-N 3.42Å; Q387-R390 PolarHBondContact O-N 3.09Å; Q387-S391 PolarHBondContact O-N 2.74Å; Q387-S391 PolarHBondContact O-OG 2.82Å |
| 388 | Y | 92.7 | Very high | 89.8 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 172.4 | -65.1 | -29.6 | 0 | 0 | 0 | 111.9 | S68 F70 L71 E384 I385 R390 S391 I392 P405 F427 F429 | S68-Y388 PolarHBondContact OG-OH 3.09Å; F70-Y388 HydrophobicContact CB-CE1 3.9Å; F70-Y388 AromaticContact CD1-CD1 3.63Å; F70-Y388 HydrophobicContact CD1-CD1 3.63Å; F70-Y388 AromaticContact CD1-CE1 3.4Å; F70-Y388 HydrophobicContact CD1-CE1 3.4Å; F70-Y388 VanDerWaalsContact CD1-CE1 3.4Å; F70-Y388 AromaticContact CE1-CD1 3.9Å; F70-Y388 HydrophobicContact CE1-CD1 3.9Å; F70-Y388 HydrophobicContact CE1-CE1 4.11Å; F70-Y388 HydrophobicContact CG-CD1 4.06Å; F70-Y388 AromaticContact CG-CE1 3.79Å; F70-Y388 HydrophobicContact CG-CE1 3.79Å; L71-Y388 HydrophobicContact CD2-CE1 4.45Å; E384-Y388 HydrophobicContact CG-CD2 4.29Å; E384-Y388 HydrophobicContact CG-CE1 4.46Å; E384-Y388 HydrophobicContact CG-CE2 3.73Å; E384-Y388 PolarHBondContact O-N 3.12Å; E384-Y388 PolarHBondContact OE1-OH 3.26Å; I385-Y388 PolarHBondContact O-N 3.28Å; Y388-R390 VanDerWaalsContact C-N 3.29Å; Y388-R390 PolarHBondContact O-N 3.19Å; Y388-S391 PolarHBondContact O-N 2.68Å; Y388-S391 VanDerWaalsContact O-N 3.16Å; Y388-S391 PolarHBondContact O-OG 3.04Å; Y388-S391 VanDerWaalsContact O-OG 3.06Å; Y388-I392 VanDerWaalsContact O-CG1 3.27Å; Y388-I392 WeakPolarHBondContact O-CG1 3.49Å; Y388-I392 PolarHBondContact O-N 3.19Å; Y388-I392 VanDerWaalsContact O-N 3.11Å; Y388-P405 HydrophobicContact CE2-CB 3.86Å; Y388-P405 HydrophobicContact CE2-CG 4.23Å; Y388-F427 HydrophobicContact CD1-CD1 4.09Å; Y388-F427 AromaticContact CD1-CE1 3.79Å; Y388-F427 HydrophobicContact CD1-CE1 3.79Å; Y388-F427 HydrophobicContact CD2-CD1 4.49Å; Y388-F427 HydrophobicContact CE1-CD1 4.14Å; Y388-F427 AromaticContact CE1-CE1 3.91Å; Y388-F427 HydrophobicContact CE1-CE1 3.91Å; Y388-F427 HydrophobicContact CG-CD1 4.24Å; Y388-F427 HydrophobicContact CG-CE1 4.32Å; Y388-F429 HydrophobicContact CD2-CZ 4.06Å |
| 389 | Q | 94.4 | Very high | 90.1 | Very high | 77 Ų | 77 | 59.6 Ų | 59.6 | 36% | 0.36 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.7 | -34.7 | -178.8 | -172.9 | 166.6 | -68.7 | 0 | 0 | 112.3 | I385 E386 Q387 L395 P398 L399 | I385-Q389 WeakPolarHBondContact O-CB 3.48Å; I385-Q389 PolarHBondContact O-N 3.24Å; E386-Q389 PolarHBondContact O-N 2.71Å; Q387-Q389 VanDerWaalsContact C-N 3.32Å; Q387-Q389 PolarHBondContact O-N 3.42Å; Q389-L395 HydrophobicContact CB-CD1 4.39Å; Q389-L395 HydrophobicContact CG-CD1 3.9Å; Q389-P398 VanDerWaalsContact OE1-CA 3.26Å; Q389-L399 HydrophobicContact CB-CD1 3.99Å; Q389-L399 HydrophobicContact CB-CG 4.33Å |
| 390 | R | 92.2 | Very high | 90.7 | Very high | 186 Ų | 186 | 59.8 Ų | 59.8 | 70% | 0.702 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -72.6 | -26.1 | 176.2 | -69.9 | 174.5 | -171.9 | -177.3 | 3.8 | 113.2 | E386 Q387 Y388 | E386-R390 WeakPolarHBondContact O-CG 3.44Å; E386-R390 PolarHBondContact O-N 3.01Å; E386-R390 IonicContact OE1-CZ 2.9Å; E386-R390 IonicContact OE1-NE 2.97Å; E386-R390 IonicContact OE1-NH2 3.1Å; E386-R390 PolarHBondContact OE1-NH2 2.95Å; E386-R390 IonicContact OE2-NH2 3.15Å; Q387-R390 PolarHBondContact O-N 3.09Å; Y388-R390 VanDerWaalsContact C-N 3.29Å; Y388-R390 PolarHBondContact O-N 3.19Å |
| 391 | S | 92.3 | Very high | 91.4 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 7% | 0.07 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -93.8 | -14.2 | -177.4 | 68.3 | 0 | 0 | 0 | 0 | 114.4 | F70 Q387 Y388 Y443 | F70-S391 VanDerWaalsContact CE2-OG 3.3Å; F70-S391 WeakPolarHBondContact CE2-OG 3.45Å; Q387-S391 PolarHBondContact O-N 2.74Å; Q387-S391 PolarHBondContact O-OG 2.82Å; Y388-S391 PolarHBondContact O-N 2.68Å; Y388-S391 VanDerWaalsContact O-N 3.16Å; Y388-S391 PolarHBondContact O-OG 3.04Å; Y388-S391 VanDerWaalsContact O-OG 3.06Å; S391-Y443 PolarHBondContact O-N 2.99Å |
| 392 | I | 94.8 | Very high | 91.8 | Very high | 7 Ų | 7 | 59.7 Ų | 59.7 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 113.9 | 179.6 | -55.6 | 165.1 | 0 | 0 | 0 | 110.5 | Y388 L395 L399 F427 Y443 M445 | Y388-I392 VanDerWaalsContact O-CG1 3.27Å; Y388-I392 WeakPolarHBondContact O-CG1 3.49Å; Y388-I392 PolarHBondContact O-N 3.19Å; Y388-I392 VanDerWaalsContact O-N 3.11Å; I392-L395 HydrophobicContact CB-CD1 3.94Å; I392-L395 HydrophobicContact CB-CD2 4.37Å; I392-L395 HydrophobicContact CB-CG 4.06Å; I392-L395 HydrophobicContact CG2-CD1 4.21Å; I392-L395 HydrophobicContact CG2-CD2 3.78Å; I392-L395 HydrophobicContact CG2-CG 3.77Å; I392-L399 HydrophobicContact CD1-CD1 4.06Å; I392-F427 HydrophobicContact CD1-CD1 4.41Å; I392-F427 HydrophobicContact CD1-CD2 3.63Å; I392-F427 HydrophobicContact CD1-CE1 4.43Å; I392-F427 HydrophobicContact CD1-CE2 3.64Å; I392-F427 HydrophobicContact CD1-CG 4.04Å; I392-F427 HydrophobicContact CD1-CZ 4.06Å; I392-F427 HydrophobicContact CG1-CD2 4.37Å; I392-F427 HydrophobicContact CG1-CE2 3.9Å; I392-F427 HydrophobicContact CG1-CZ 4.21Å; I392-Y443 CarbonylContact C-O 3.46Å; I392-Y443 VanDerWaalsContact CA-O 3.32Å; I392-Y443 WeakPolarHBondContact CA-O 3.41Å; I392-M445 HydrophobicContact CG2-CB 3.94Å |
| 393 | E | 93.3 | Very high | 92.1 | Very high | 92 Ų | 92 | 57 Ų | 57 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 154.5 | 174.6 | -63.4 | 173.4 | -165.6 | 0 | 0 | 111.5 | L395 N442 Y443 M445 | E393-L395 VanDerWaalsContact C-N 3.34Å; E393-L395 PolarHBondContact O-N 2.81Å; E393-N442 PolarHBondContact OE1-ND2 2.87Å; E393-Y443 PolarHBondContact N-O 3.04Å; E393-M445 VanDerWaalsContact O-CB 3.26Å; E393-M445 WeakPolarHBondContact O-CB 3.41Å; E393-M445 PolarHBondContact O-N 3.18Å |
| 394 | N | 93 | Very high | 92.5 | Very high | 100 Ų | 100 | 54.9 Ų | 54.9 | 54% | 0.535 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 29.4 | 179 | -55.2 | -40.3 | 0 | 0 | 0 | 115.2 | N396 M445 | N394-N396 PolarHBondContact O-OD1 2.9Å; N394-M445 WeakPolarHBondContact O-CE 3.47Å |
| 395 | L | 91.6 | Very high | 92.9 | Very high | 41 Ų | 41 | 54.5 Ų | 54.5 | 22% | 0.215 | 27% | 0.269 | C | S | . | . | trans | -68.7 | 132.9 | 171.6 | -73.5 | 172.9 | 0 | 0 | 0 | 111.6 | Q389 I392 E393 L399 I434 M445 | Q389-L395 HydrophobicContact CB-CD1 4.39Å; Q389-L395 HydrophobicContact CG-CD1 3.9Å; I392-L395 HydrophobicContact CB-CD1 3.94Å; I392-L395 HydrophobicContact CB-CD2 4.37Å; I392-L395 HydrophobicContact CB-CG 4.06Å; I392-L395 HydrophobicContact CG2-CD1 4.21Å; I392-L395 HydrophobicContact CG2-CD2 3.78Å; I392-L395 HydrophobicContact CG2-CG 3.77Å; E393-L395 VanDerWaalsContact C-N 3.34Å; E393-L395 PolarHBondContact O-N 2.81Å; L395-L399 HydrophobicContact CD1-CD1 4.14Å; L395-L399 HydrophobicContact CD1-CD2 4.13Å; L395-L399 HydrophobicContact CD1-CG 3.92Å; L395-L399 HydrophobicContact CD2-CD2 3.78Å; L395-L399 HydrophobicContact CD2-CG 4.49Å; L395-I434 HydrophobicContact CD2-CG2 4.24Å; L395-M445 HydrophobicContact CD2-CG 4.35Å | ||
| 396 | N | 86.9 | Confident | 92.8 | Very high | 140 Ų | 140 | 55.7 Ų | 55.7 | 75% | 0.749 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -87.3 | -20.7 | -179.5 | -62.7 | -15.8 | 0 | 0 | 0 | 113.4 | N394 | N394-N396 PolarHBondContact O-OD1 2.9Š|
| 397 | Q | 91.7 | Very high | 92.7 | Very high | 87 Ų | 87 | 52.3 Ų | 52.3 | 41% | 0.407 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -153.6 | 160.8 | 179.5 | 61.4 | 179.8 | -24.1 | 0 | 0 | 111.2 | Y402 | Q397-Y402 HydrophobicContact CG-CE1 4.4Å; Q397-Y402 HydrophobicContact CG-CE2 4.09Å; Q397-Y402 WeakPolarHBondContact CG-OH 3.49Å; Q397-Y402 PolarHBondContact NE2-OH 3.34Å |
| 398 | P | 94.8 | Very high | 93 | Very high | 60 Ų | 60 | 50.7 Ų | 50.7 | 39% | 0.39 | 26% | 0.256 | S | S | . | . | trans | -58.6 | 138.1 | 178.2 | -24 | 34.2 | 0 | 0 | 0 | 112.5 | Q389 S400 N401 | Q389-P398 VanDerWaalsContact OE1-CA 3.26Å; P398-S400 PolarHBondContact O-N 2.93Å; P398-N401 WeakPolarHBondContact O-CB 3.39Å; P398-N401 PolarHBondContact O-N 3.27Å | ||
| 399 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -66.7 | -26.2 | -178.8 | -68.9 | -179.9 | 0 | 0 | 0 | 112.8 | I385 Q389 I392 L395 N401 Y402 F429 I434 | I385-L399 HydrophobicContact CG2-CB 3.62Å; Q389-L399 HydrophobicContact CB-CD1 3.99Å; Q389-L399 HydrophobicContact CB-CG 4.33Å; I392-L399 HydrophobicContact CD1-CD1 4.06Å; L395-L399 HydrophobicContact CD1-CD1 4.14Å; L395-L399 HydrophobicContact CD1-CD2 4.13Å; L395-L399 HydrophobicContact CD1-CG 3.92Å; L395-L399 HydrophobicContact CD2-CD2 3.78Å; L395-L399 HydrophobicContact CD2-CG 4.49Å; L399-N401 PolarHBondContact O-N 3.27Å; L399-N401 VanDerWaalsContact O-N 3.14Å; L399-Y402 HydrophobicContact CD2-CD2 4.11Å; L399-Y402 HydrophobicContact CD2-CE2 4.09Å; L399-Y402 PolarHBondContact O-N 3.02Å; L399-F429 HydrophobicContact CB-CE1 4.22Å; L399-F429 HydrophobicContact CB-CZ 3.99Å; L399-F429 HydrophobicContact CD1-CZ 4.04Å; L399-F429 HydrophobicContact CD2-CE2 4.28Å; L399-F429 HydrophobicContact CD2-CZ 4.31Å; L399-F429 HydrophobicContact CG-CZ 4.35Å; L399-I434 HydrophobicContact CD2-CD1 4.16Å; L399-I434 HydrophobicContact CD2-CG1 3.94Å |
| 400 | S | 94.6 | Very high | 92.8 | Very high | 39 Ų | 39 | 50.3 Ų | 50.3 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -59.9 | -21.7 | 176.1 | 52.8 | 0 | 0 | 0 | 0 | 113.3 | P398 Y402 G403 F542 Y543 | P398-S400 PolarHBondContact O-N 2.93Å; S400-Y402 PolarHBondContact O-N 3.3Å; S400-G403 PolarHBondContact O-N 3.04Å; S400-F542 WeakPolarHBondContact O-CE2 3.37Å; S400-F542 VanDerWaalsContact O-CZ 3.32Å; S400-F542 WeakPolarHBondContact O-CZ 3.42Å; S400-Y543 WeakPolarHBondContact O-CE2 3.16Å |
| 401 | N | 94.6 | Very high | 92.8 | Very high | 80 Ų | 80 | 41.5 Ų | 41.5 | 43% | 0.428 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -70.4 | -15.6 | 176.3 | -68.4 | -4.2 | 0 | 0 | 0 | 113.3 | P398 L399 Y543 | P398-N401 WeakPolarHBondContact O-CB 3.39Å; P398-N401 PolarHBondContact O-N 3.27Å; L399-N401 PolarHBondContact O-N 3.27Å; L399-N401 VanDerWaalsContact O-N 3.14Å; N401-Y543 PolarHBondContact O-OH 3.37Å; N401-Y543 VanDerWaalsContact O-OH 3.08Å |
| 402 | Y | 95.6 | Very high | 92.9 | Very high | 21 Ų | 21 | 44.5 Ų | 44.5 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -95.3 | 4.2 | -177.4 | -55.6 | -61.2 | 0 | 0 | 0 | 113.7 | Q397 L399 S400 F429 D430 A431 A432 I434 V448 | Q397-Y402 HydrophobicContact CG-CE1 4.4Å; Q397-Y402 HydrophobicContact CG-CE2 4.09Å; Q397-Y402 WeakPolarHBondContact CG-OH 3.49Å; Q397-Y402 PolarHBondContact NE2-OH 3.34Å; L399-Y402 HydrophobicContact CD2-CD2 4.11Å; L399-Y402 HydrophobicContact CD2-CE2 4.09Å; L399-Y402 PolarHBondContact O-N 3.02Å; S400-Y402 PolarHBondContact O-N 3.3Å; Y402-F429 WeakPolarHBondContact O-CB 3.17Å; Y402-D430 PolarHBondContact O-N 2.89Å; Y402-A431 WeakPolarHBondContact O-CB 3.45Å; Y402-A431 PolarHBondContact O-N 2.76Å; Y402-A432 HydrophobicContact CD1-CB 3.37Å; Y402-A432 HydrophobicContact CD2-CB 4.42Å; Y402-A432 HydrophobicContact CE1-CB 3.77Å; Y402-A432 HydrophobicContact CG-CB 3.72Å; Y402-I434 HydrophobicContact CD2-CD1 4Å; Y402-I434 HydrophobicContact CE2-CD1 3.66Å; Y402-V448 HydrophobicContact CE1-CG1 4.19Å |
| 403 | G | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | 88.4 | -154.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S400 F429 F542 Y543 | S400-G403 PolarHBondContact O-N 3.04Å; G403-F429 WeakPolarHBondContact O-CD1 3.06Å; G403-F542 WeakPolarHBondContact O-CZ 3.23Å; G403-Y543 VanDerWaalsContact CA-CE2 3.45Å | ||
| 404 | R | 93.8 | Very high | 92.6 | Very high | 39 Ų | 39 | 41 Ų | 41 | 15% | 0.147 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -83.7 | 144.3 | -178.3 | -63.1 | -176.4 | 174.3 | 82.3 | -7.2 | 110.8 | D378 T381 F429 D430 F542 Y543 | D378-R404 IonicContact OD1-CZ 2.7Å; D378-R404 IonicContact OD1-NE 3.96Å; D378-R404 PolarHBondContact OD1-NE 3.34Å; D378-R404 IonicContact OD1-NH2 3.91Å; D378-R404 PolarHBondContact OD1-NH2 3.36Å; D378-R404 IonicContact OD2-NH2 3.16Å; D378-R404 PolarHBondContact OD2-NH2 2.97Å; T381-R404 HydrophobicContact CG2-CB 4.42Å; T381-R404 HydrophobicContact CG2-CG 4.22Å; R404-F429 CarbonylContact O-C 3.52Å; R404-F429 WeakPolarHBondContact O-CA 3.48Å; R404-D430 WeakPolarHBondContact CB-OD2 3.4Å; R404-D430 PolarHBondContact N-OD2 3.29Å; R404-D430 PolarHBondContact O-N 2.89Å; R404-F542 HydrophobicContact CG-CD1 4Å; R404-F542 HydrophobicContact CG-CE1 3.88Å; R404-F542 PolarHBondContact NH1-O 2.9Å; R404-F542 PolarHBondContact NH2-O 3.22Å; R404-Y543 PolarHBondContact NH1-O 2.98Å |
| 405 | P | 93.3 | Very high | 92 | Very high | 23 Ų | 23 | 37.1 Ų | 37.1 | 15% | 0.149 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 145 | 170.8 | 28.8 | -33.4 | 0 | 0 | 0 | 110.6 | T381 I385 Y388 L428 F429 | T381-P405 HydrophobicContact CG2-CG 4.24Å; I385-P405 HydrophobicContact CG1-CG 4.48Å; Y388-P405 HydrophobicContact CE2-CB 3.86Å; Y388-P405 HydrophobicContact CE2-CG 4.23Å; P405-L428 CarbonylContact C-O 3.55Å; P405-L428 WeakPolarHBondContact CA-O 3.38Å; P405-F429 HydrophobicContact CB-CD1 4.42Å; P405-F429 HydrophobicContact CB-CE1 4.22Å |
| 406 | K | 90.4 | Very high | 90.9 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -14 | 174.3 | -60.7 | -56.9 | 179.6 | -157 | 0 | 113.1 | L428 D430 Q500 A504 N507 | K406-L428 HydrophobicContact CB-CB 4.37Å; K406-L428 HydrophobicContact CB-CD2 3.75Å; K406-L428 HydrophobicContact CB-CG 3.84Å; K406-L428 HydrophobicContact CG-CD2 4.38Å; K406-L428 HydrophobicContact CG-CG 4.28Å; K406-L428 PolarHBondContact N-O 3.27Å; K406-D430 WeakPolarHBondContact CE-OD1 3.33Å; K406-D430 IonicContact NZ-OD1 2.84Å; K406-D430 PolarHBondContact NZ-OD1 2.73Å; K406-D430 IonicContact NZ-OD2 3.14Å; K406-Q500 HydrophobicContact CB-CB 4.18Å; K406-Q500 PolarHBondContact O-OE1 3.47Å; K406-A504 HydrophobicContact CG-CB 4.28Å; K406-N507 PolarHBondContact NZ-ND2 2.67Å |
| 407 | G | 89.4 | Confident | 89.9 | Confident | 21 Ų | 21 | 38.6 Ų | 38.6 | 22% | 0.216 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.7 | 165.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | L428 | G407-L428 PolarHBondContact O-N 2.72Å |
| 408 | D | 93.2 | Very high | 88.8 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 155.7 | 175.2 | 77.9 | -67.2 | 0 | 0 | 0 | 110.6 | S68 Q69 F70 H425 I426 F427 | S68-D408 VanDerWaalsContact CA-OD1 3.29Å; S68-D408 WeakPolarHBondContact CA-OD1 3.27Å; S68-D408 WeakPolarHBondContact CB-OD1 3.31Å; S68-D408 PolarHBondContact OG-OD1 3.21Å; Q69-D408 PolarHBondContact N-OD1 2.97Å; F70-D408 WeakPolarHBondContact CB-OD2 3.42Å; F70-D408 PolarHBondContact N-OD1 2.82Å; F70-D408 PolarHBondContact N-OD2 3.35Å; D408-H425 IonicContact OD2-CD2 2.69Å; D408-H425 IonicContact OD2-CE1 2.74Å; D408-H425 PolarHBondContact OD2-CE1 3.02Å; D408-H425 IonicContact OD2-NE2 3.42Å; D408-H425 PolarHBondContact OD2-NE2 2.77Å; D408-I426 CarbonylContact C-O 3.58Å; D408-I426 WeakPolarHBondContact CA-O 3.25Å; D408-I426 WeakPolarHBondContact CB-O 3.45Å; D408-F427 HydrophobicContact CB-CD1 3.48Å; D408-F427 VanDerWaalsContact CB-CD1 3.48Å; D408-F427 HydrophobicContact CB-CE1 3.81Å; D408-F427 HydrophobicContact CB-CG 4.1Å |
| 409 | G | 91.4 | Very high | 87.5 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.2 | 173.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q69 H425 I426 | Q69-G409 VanDerWaalsContact OE1-CA 3.28Å; G409-H425 PolarHBondContact N-NE2 3.2Å; G409-H425 WeakPolarHBondContact O-CA 3.29Å; G409-I426 PolarHBondContact N-O 3.29Å; G409-I426 PolarHBondContact O-N 2.75Å |
| 410 | E | 91.4 | Very high | 87 | Confident | 67 Ų | 67 | 52 Ų | 52 | 31% | 0.313 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 129.9 | 178.4 | -67.7 | -177.8 | -173.4 | 0 | 0 | 112.3 | Q69 R424 R438 | Q69-E410 PolarHBondContact NE2-OE1 3.4Å; E410-R424 WeakPolarHBondContact CA-O 3.46Å; E410-R438 IonicContact OE1-NH1 3.16Å; E410-R438 PolarHBondContact OE1-NH1 3.06Å |
| 411 | V | 93.9 | Very high | 86.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 156.8 | 179.6 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | V413 R424 I426 F486 F488 | V411-V413 HydrophobicContact CG2-CG2 3.95Å; V411-R424 HydrophobicContact CG2-CB 4.33Å; V411-R424 PolarHBondContact N-O 2.91Å; V411-R424 PolarHBondContact O-N 3.37Å; V411-I426 HydrophobicContact CG1-CD1 3.8Å; V411-I426 HydrophobicContact CG1-CG1 3.89Å; V411-I426 HydrophobicContact CG2-CB 4.29Å; V411-I426 HydrophobicContact CG2-CD1 4.17Å; V411-I426 HydrophobicContact CG2-CG1 3.93Å; V411-I426 HydrophobicContact CG2-CG2 3.53Å; V411-F486 HydrophobicContact CB-CD1 4.48Å; V411-F486 HydrophobicContact CG2-CD1 4.18Å; V411-F486 HydrophobicContact CG2-CE1 4.5Å; V411-F488 HydrophobicContact CB-CE1 4.46Å; V411-F488 HydrophobicContact CG1-CD1 3.87Å; V411-F488 HydrophobicContact CG1-CE1 3.51Å; V411-F488 HydrophobicContact CG1-CZ 4.49Å |
| 412 | R | 93.3 | Very high | 86.5 | Confident | 73 Ų | 73 | 53.7 Ų | 53.7 | 28% | 0.275 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.2 | 164.6 | -85.4 | 175.8 | -178.5 | 173.4 | 3.6 | 109.3 | Q422 D423 W469 F486 F487 | R412-Q422 WeakPolarHBondContact CA-O 3.3Å; R412-D423 WeakPolarHBondContact CD-OD1 3.5Å; R412-D423 WeakPolarHBondContact CG-OD1 3.49Å; R412-D423 IonicContact CZ-OD1 3.43Å; R412-D423 IonicContact NE-OD1 3.65Å; R412-D423 PolarHBondContact NE-OD1 2.81Å; R412-D423 IonicContact NH2-OD1 3.92Å; R412-W469 HydrophobicContact CB-CE3 3.99Å; R412-W469 HydrophobicContact CB-CZ3 4.31Å; R412-W469 HydrophobicContact CG-CD2 4.3Å; R412-W469 HydrophobicContact CG-CE3 3.79Å; R412-W469 HydrophobicContact CG-CZ3 4.08Å; R412-F486 CarbonylContact O-C 3.47Å; R412-F487 HydrophobicContact CB-CB 3.9Å; R412-F487 HydrophobicContact CB-CD2 4.43Å; R412-F487 PolarHBondContact N-O 3.27Å; R412-F487 PolarHBondContact O-N 2.97Å |
| 413 | V | 92.1 | Very high | 86.4 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 136.2 | -180 | 165 | 0 | 0 | 0 | 0 | 110.5 | V411 Q422 F484 E485 F486 | V411-V413 HydrophobicContact CG2-CG2 3.95Å; V413-Q422 PolarHBondContact N-O 2.76Å; V413-Q422 PolarHBondContact O-N 2.81Å; V413-F484 HydrophobicContact CG1-CD1 4.1Å; V413-E485 WeakPolarHBondContact CA-O 3.35Å; V413-F486 HydrophobicContact CG2-CD1 3.33Å; V413-F486 HydrophobicContact CG2-CE1 3.31Å; V413-F486 HydrophobicContact CG2-CG 4.1Å; V413-F486 HydrophobicContact CG2-CZ 4.06Å |
| 414 | T | 89.1 | Confident | 86.4 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 142.9 | 160.1 | 53.1 | 0 | 0 | 0 | 0 | 109.2 | K421 F484 E485 F487 | T414-K421 HydrophobicContact CG2-CB 4.17Å; T414-K421 HydrophobicContact CG2-CG 3.66Å; T414-F484 WeakPolarHBondContact O-CA 3.11Å; T414-E485 PolarHBondContact N-O 2.94Å; T414-E485 PolarHBondContact O-N 2.7Å; T414-E485 VanDerWaalsContact OG1-CB 3.31Å; T414-E485 WeakPolarHBondContact OG1-CB 3.41Å; T414-F487 HydrophobicContact CG2-CE2 3.96Å |
| 415 | S | 81.9 | Confident | 86.5 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 153.1 | 167.4 | 164.8 | 0 | 0 | 0 | 0 | 107.7 | D417 K418 | S415-D417 PolarHBondContact O-N 2.84Å; S415-D417 VanDerWaalsContact O-N 3.11Å; S415-D417 PolarHBondContact OG-N 3.47Å; S415-K418 CarbonylContact O-C 3.43Å; S415-K418 PolarHBondContact O-N 2.9Å |
| 416 | V | 68.1 | Low | 86.6 | Confident | 95 Ų | 95 | 56.8 Ų | 56.8 | 58% | 0.576 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -34.1 | 176.3 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | N482 G483 | V416-N482 HydrophobicContact CB-CB 4.34Å; V416-G483 PolarHBondContact N-O 2.84Å |
| 417 | D | 66.4 | Low | 86.9 | Confident | 117 Ų | 117 | 55.4 Ų | 55.4 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -23.2 | 178.8 | -56.8 | -39.8 | 0 | 0 | 0 | 113.4 | S415 N482 | S415-D417 PolarHBondContact O-N 2.84Å; S415-D417 VanDerWaalsContact O-N 3.11Å; S415-D417 PolarHBondContact OG-N 3.47Å; D417-N482 PolarHBondContact OD1-ND2 2.74Å; D417-N482 PolarHBondContact OD2-ND2 3.27Å |
| 418 | K | 67.7 | Low | 87.3 | Confident | 115 Ų | 115 | 54.5 Ų | 54.5 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 93.2 | -175.5 | -67.8 | 178.2 | -173.7 | 161.8 | 0 | 109.4 | S415 A420 | S415-K418 CarbonylContact O-C 3.43Å; S415-K418 PolarHBondContact O-N 2.9Å; K418-A420 PolarHBondContact O-N 2.73Å |
| 419 | R | 68.1 | Low | 87.4 | Confident | 247 Ų | 247 | 54 Ų | 54 | 93% | 0.932 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61 | -16.8 | -178.9 | -65.9 | -175.1 | -178.9 | -177.5 | 0.2 | 114.7 | ||
| 420 | A | 84.2 | Confident | 87.6 | Confident | 67 Ų | 67 | 53.8 Ų | 53.8 | 55% | 0.554 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 133.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K418 Q422 | K418-A420 PolarHBondContact O-N 2.73Å; A420-Q422 WeakPolarHBondContact O-CG 3.19Å; A420-Q422 PolarHBondContact O-N 3.33Å |
| 421 | K | 87.8 | Confident | 87.8 | Confident | 101 Ų | 101 | 51.2 Ų | 51.2 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 126.8 | 172.2 | -67.5 | -176.5 | 176 | -171.3 | 0 | 109.8 | T414 W469 F487 | T414-K421 HydrophobicContact CG2-CB 4.17Å; T414-K421 HydrophobicContact CG2-CG 3.66Å; K421-W469 PolarHBondContact NZ-O 3.42Å; K421-F487 HydrophobicContact CD-CD2 4.27Å; K421-F487 HydrophobicContact CD-CE2 4.3Å; K421-F487 HydrophobicContact CG-CD2 4.34Å; K421-F487 HydrophobicContact CG-CE2 4.15Å |
| 422 | Q | 91.4 | Very high | 87.9 | Confident | 54 Ų | 54 | 51.1 Ų | 51.1 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.3 | -179.3 | -48.6 | -165.1 | -47.9 | 0 | 0 | 110.4 | R412 V413 A420 R424 | R412-Q422 WeakPolarHBondContact CA-O 3.3Å; V413-Q422 PolarHBondContact N-O 2.76Å; V413-Q422 PolarHBondContact O-N 2.81Å; A420-Q422 WeakPolarHBondContact O-CG 3.19Å; A420-Q422 PolarHBondContact O-N 3.33Å; Q422-R424 HydrophobicContact CB-CG 4.45Å; Q422-R424 PolarHBondContact O-N 2.92Å |
| 423 | D | 92.6 | Very high | 88.1 | Confident | 102 Ų | 102 | 47.7 Ų | 47.7 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 123.3 | 172.2 | -57.8 | -40.9 | 0 | 0 | 0 | 109.6 | R412 | R412-D423 WeakPolarHBondContact CD-OD1 3.5Å; R412-D423 WeakPolarHBondContact CG-OD1 3.49Å; R412-D423 IonicContact CZ-OD1 3.43Å; R412-D423 IonicContact NE-OD1 3.65Å; R412-D423 PolarHBondContact NE-OD1 2.81Å; R412-D423 IonicContact NH2-OD1 3.92Å |
| 424 | R | 95.2 | Very high | 88.3 | Confident | 44 Ų | 44 | 47.4 Ų | 47.4 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 159.3 | -176 | -68.4 | -65.5 | 179.6 | -88.8 | -3.6 | 110.2 | E410 V411 Q422 V435 C436 | E410-R424 WeakPolarHBondContact CA-O 3.46Å; V411-R424 HydrophobicContact CG2-CB 4.33Å; V411-R424 PolarHBondContact N-O 2.91Å; V411-R424 PolarHBondContact O-N 3.37Å; Q422-R424 HydrophobicContact CB-CG 4.45Å; Q422-R424 PolarHBondContact O-N 2.92Å; R424-V435 HydrophobicContact CB-CG1 3.93Å; R424-V435 HydrophobicContact CG-CG1 3.76Å; R424-C436 WeakPolarHBondContact CA-O 3.46Å; R424-C436 WeakPolarHBondContact CD-O 3.09Å |
| 425 | H | 94.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 133.9 | 165.1 | -161.5 | 97.8 | 0 | 0 | 0 | 107.6 | Q69 D408 G409 F427 C436 Y443 | Q69-H425 PolarHBondContact OE1-CE1 2.89Å; D408-H425 IonicContact OD2-CD2 2.69Å; D408-H425 IonicContact OD2-CE1 2.74Å; D408-H425 PolarHBondContact OD2-CE1 3.02Å; D408-H425 IonicContact OD2-NE2 3.42Å; D408-H425 PolarHBondContact OD2-NE2 2.77Å; G409-H425 PolarHBondContact N-NE2 3.2Å; G409-H425 WeakPolarHBondContact O-CA 3.29Å; H425-F427 AromaticContact CD2-CE2 3.63Å; H425-F427 AromaticContact CD2-CZ 3.78Å; H425-C436 HydrophobicContact CB-CB 4.49Å; H425-C436 PolarHBondContact N-O 3.48Å; H425-C436 WeakPolarHBondContact O-CA 3.23Å; H425-C436 WeakPolarHBondContact O-CB 3.3Å; H425-C436 PolarHBondContact O-N 2.98Å; H425-Y443 HydrophobicContact CB-CD1 3.93Å; H425-Y443 HydrophobicContact CB-CE1 3.84Å; H425-Y443 AromaticContact CD2-CE1 3.51Å; H425-Y443 AromaticContact CE1-CE1 3.93Å; H425-Y443 AromaticContact CG-CD1 3.93Å; H425-Y443 AromaticContact CG-CE1 3.4Å; H425-Y443 VanDerWaalsContact CG-CE1 3.4Å; H425-Y443 AromaticContact ND1-CE1 3.67Å; H425-Y443 AromaticContact NE2-CE1 3.82Å |
| 426 | I | 96.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 145.5 | 175.9 | 58.7 | 168.4 | 0 | 0 | 0 | 110.9 | D408 G409 V411 V433 I434 V435 F486 W497 F501 | D408-I426 CarbonylContact C-O 3.58Å; D408-I426 WeakPolarHBondContact CA-O 3.25Å; D408-I426 WeakPolarHBondContact CB-O 3.45Å; G409-I426 PolarHBondContact N-O 3.29Å; G409-I426 PolarHBondContact O-N 2.75Å; V411-I426 HydrophobicContact CG1-CD1 3.8Å; V411-I426 HydrophobicContact CG1-CG1 3.89Å; V411-I426 HydrophobicContact CG2-CB 4.29Å; V411-I426 HydrophobicContact CG2-CD1 4.17Å; V411-I426 HydrophobicContact CG2-CG1 3.93Å; V411-I426 HydrophobicContact CG2-CG2 3.53Å; I426-V433 HydrophobicContact CB-CG1 3.83Å; I426-V433 HydrophobicContact CD1-CG1 4.26Å; I426-V433 HydrophobicContact CG2-CG1 3.92Å; I426-I434 CarbonylContact C-O 3.5Å; I426-I434 VanDerWaalsContact CA-O 3.3Å; I426-I434 WeakPolarHBondContact CA-O 3.23Å; I426-V435 HydrophobicContact CG2-CB 4.46Å; I426-V435 HydrophobicContact CG2-CG1 4.4Å; I426-V435 HydrophobicContact CG2-CG2 4.11Å; I426-F486 HydrophobicContact CD1-CD1 4.42Å; I426-F486 HydrophobicContact CD1-CE1 4.29Å; I426-F486 HydrophobicContact CG2-CE1 4.19Å; I426-W497 HydrophobicContact CD1-CD2 4.33Å; I426-W497 HydrophobicContact CD1-CE3 3.95Å; I426-W497 HydrophobicContact CD1-CH2 3.56Å; I426-W497 HydrophobicContact CD1-CZ2 3.96Å; I426-W497 HydrophobicContact CD1-CZ3 3.56Å; I426-W497 HydrophobicContact CG1-CH2 3.61Å; I426-W497 HydrophobicContact CG1-CZ2 3.93Å; I426-W497 HydrophobicContact CG1-CZ3 4.13Å; I426-F501 HydrophobicContact CD1-CE2 4.13Å; I426-F501 HydrophobicContact CD1-CZ 4.26Å |
| 427 | F | 96.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 115.4 | 162.8 | -59.8 | -97.2 | 0 | 0 | 0 | 107.3 | F70 Y388 I392 D408 H425 F429 I434 C436 Y443 | F70-F427 HydrophobicContact CB-CE1 4.32Å; Y388-F427 HydrophobicContact CD1-CD1 4.09Å; Y388-F427 AromaticContact CD1-CE1 3.79Å; Y388-F427 HydrophobicContact CD1-CE1 3.79Å; Y388-F427 HydrophobicContact CD2-CD1 4.49Å; Y388-F427 HydrophobicContact CE1-CD1 4.14Å; Y388-F427 AromaticContact CE1-CE1 3.91Å; Y388-F427 HydrophobicContact CE1-CE1 3.91Å; Y388-F427 HydrophobicContact CG-CD1 4.24Å; Y388-F427 HydrophobicContact CG-CE1 4.32Å; I392-F427 HydrophobicContact CD1-CD1 4.41Å; I392-F427 HydrophobicContact CD1-CD2 3.63Å; I392-F427 HydrophobicContact CD1-CE1 4.43Å; I392-F427 HydrophobicContact CD1-CE2 3.64Å; I392-F427 HydrophobicContact CD1-CG 4.04Å; I392-F427 HydrophobicContact CD1-CZ 4.06Å; I392-F427 HydrophobicContact CG1-CD2 4.37Å; I392-F427 HydrophobicContact CG1-CE2 3.9Å; I392-F427 HydrophobicContact CG1-CZ 4.21Å; D408-F427 HydrophobicContact CB-CD1 3.48Å; D408-F427 VanDerWaalsContact CB-CD1 3.48Å; D408-F427 HydrophobicContact CB-CE1 3.81Å; D408-F427 HydrophobicContact CB-CG 4.1Å; H425-F427 AromaticContact CD2-CE2 3.63Å; H425-F427 AromaticContact CD2-CZ 3.78Å; F427-F429 HydrophobicContact CB-CD2 4.43Å; F427-F429 HydrophobicContact CB-CE2 3.84Å; F427-I434 HydrophobicContact CB-CB 4.22Å; F427-I434 HydrophobicContact CB-CG1 4.49Å; F427-I434 PolarHBondContact N-O 3.42Å; F427-I434 PolarHBondContact O-N 3.47Å; F427-C436 HydrophobicContact CE2-CB 4.45Å; F427-Y443 AromaticContact CE2-CD1 3.81Å; F427-Y443 HydrophobicContact CE2-CD1 3.81Å; F427-Y443 HydrophobicContact CE2-CD2 4.29Å; F427-Y443 HydrophobicContact CE2-CE1 4.22Å; F427-Y443 AromaticContact CE2-CG 3.84Å; F427-Y443 HydrophobicContact CE2-CG 3.84Å; F427-Y443 AromaticContact CZ-CD1 3.97Å; F427-Y443 HydrophobicContact CZ-CD1 3.97Å; F427-Y443 AromaticContact CZ-CD2 3.88Å; F427-Y443 HydrophobicContact CZ-CD2 3.88Å; F427-Y443 HydrophobicContact CZ-CE1 4.01Å; F427-Y443 AromaticContact CZ-CE2 3.97Å; F427-Y443 HydrophobicContact CZ-CE2 3.97Å; F427-Y443 AromaticContact CZ-CG 3.89Å; F427-Y443 HydrophobicContact CZ-CG 3.89Å; F427-Y443 AromaticContact CZ-CZ 3.99Å |
| 428 | L | 96.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 128 | 179 | 174.7 | 67.7 | 0 | 0 | 0 | 109.7 | P405 K406 G407 V433 L451 W497 Q500 F501 A504 | P405-L428 CarbonylContact C-O 3.55Å; P405-L428 WeakPolarHBondContact CA-O 3.38Å; K406-L428 HydrophobicContact CB-CB 4.37Å; K406-L428 HydrophobicContact CB-CD2 3.75Å; K406-L428 HydrophobicContact CB-CG 3.84Å; K406-L428 HydrophobicContact CG-CD2 4.38Å; K406-L428 HydrophobicContact CG-CG 4.28Å; K406-L428 PolarHBondContact N-O 3.27Å; G407-L428 PolarHBondContact O-N 2.72Å; L428-V433 HydrophobicContact CD1-CG2 3.87Å; L428-L451 HydrophobicContact CD1-CD1 3.81Å; L428-W497 HydrophobicContact CB-CH2 4.35Å; L428-W497 HydrophobicContact CB-CZ3 3.63Å; L428-W497 HydrophobicContact CD2-CE3 4.06Å; L428-W497 HydrophobicContact CD2-CZ3 3.82Å; L428-W497 HydrophobicContact CG-CZ3 4.38Å; L428-Q500 HydrophobicContact CD2-CB 3.71Å; L428-F501 HydrophobicContact CD1-CD1 3.95Å; L428-F501 HydrophobicContact CD1-CD2 4.47Å; L428-F501 HydrophobicContact CD1-CE1 3.78Å; L428-F501 HydrophobicContact CD1-CE2 4.33Å; L428-F501 HydrophobicContact CD1-CG 4.31Å; L428-F501 HydrophobicContact CD1-CZ 3.99Å; L428-F501 HydrophobicContact CD2-CD1 4.49Å; L428-F501 HydrophobicContact CD2-CD2 3.76Å; L428-F501 HydrophobicContact CD2-CE2 4.02Å; L428-F501 HydrophobicContact CD2-CG 4.03Å; L428-F501 HydrophobicContact CD2-CZ 4.5Å; L428-A504 HydrophobicContact CD1-CB 4.41Å |
| 429 | F | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 169.9 | 172.3 | -70.9 | -100.9 | 0 | 0 | 0 | 109.7 | I385 Y388 L399 Y402 G403 R404 P405 F427 A431 A432 I434 | I385-F429 HydrophobicContact CD1-CE1 4.41Å; I385-F429 HydrophobicContact CG1-CE1 4.08Å; Y388-F429 HydrophobicContact CD2-CZ 4.06Å; L399-F429 HydrophobicContact CB-CE1 4.22Å; L399-F429 HydrophobicContact CB-CZ 3.99Å; L399-F429 HydrophobicContact CD1-CZ 4.04Å; L399-F429 HydrophobicContact CD2-CE2 4.28Å; L399-F429 HydrophobicContact CD2-CZ 4.31Å; L399-F429 HydrophobicContact CG-CZ 4.35Å; Y402-F429 WeakPolarHBondContact O-CB 3.17Å; G403-F429 WeakPolarHBondContact O-CD1 3.06Å; R404-F429 CarbonylContact O-C 3.52Å; R404-F429 WeakPolarHBondContact O-CA 3.48Å; P405-F429 HydrophobicContact CB-CD1 4.42Å; P405-F429 HydrophobicContact CB-CE1 4.22Å; F427-F429 HydrophobicContact CB-CD2 4.43Å; F427-F429 HydrophobicContact CB-CE2 3.84Å; F429-A431 VanDerWaalsContact C-N 3.26Å; F429-A431 PolarHBondContact O-N 3.39Å; F429-A432 PolarHBondContact N-O 2.77Å; F429-I434 HydrophobicContact CD2-CG1 4.14Å; F429-I434 HydrophobicContact CE2-CG1 4.08Å |
| 430 | D | 95 | Very high | 93.1 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -50.4 | -46.7 | 175.2 | -75.4 | -53.7 | 0 | 0 | 0 | 112.2 | Y402 R404 K406 A504 N507 I508 M522 | Y402-D430 PolarHBondContact O-N 2.89Å; R404-D430 WeakPolarHBondContact CB-OD2 3.4Å; R404-D430 PolarHBondContact N-OD2 3.29Å; R404-D430 PolarHBondContact O-N 2.89Å; K406-D430 WeakPolarHBondContact CE-OD1 3.33Å; K406-D430 IonicContact NZ-OD1 2.84Å; K406-D430 PolarHBondContact NZ-OD1 2.73Å; K406-D430 IonicContact NZ-OD2 3.14Å; D430-A504 CarbonylContact O-C 3.18Å; D430-A504 WeakPolarHBondContact O-CB 3.25Å; D430-N507 PolarHBondContact OD1-ND2 2.67Å; D430-I508 WeakPolarHBondContact O-CD1 3.08Å; D430-I508 VanDerWaalsContact O-CG1 3.22Å; D430-I508 WeakPolarHBondContact O-CG1 3.17Å; D430-M522 HydrophobicContact CB-CE 3.85Å; D430-M522 HydrophobicContact CB-SD 4.15Å |
| 431 | A | 95.7 | Very high | 92.7 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 10% | 0.099 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -104 | -11.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y402 F429 L451 | Y402-A431 WeakPolarHBondContact O-CB 3.45Å; Y402-A431 PolarHBondContact O-N 2.76Å; F429-A431 VanDerWaalsContact C-N 3.26Å; F429-A431 PolarHBondContact O-N 3.39Å; A431-L451 WeakPolarHBondContact O-CB 3.23Å; A431-L451 PolarHBondContact O-N 2.5Å |
| 432 | A | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 157.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y402 F429 I434 V448 I449 | Y402-A432 HydrophobicContact CD1-CB 3.37Å; Y402-A432 HydrophobicContact CD2-CB 4.42Å; Y402-A432 HydrophobicContact CE1-CB 3.77Å; Y402-A432 HydrophobicContact CG-CB 3.72Å; F429-A432 PolarHBondContact N-O 2.77Å; A432-I434 HydrophobicContact CB-CD1 4.43Å; A432-V448 HydrophobicContact CB-CG1 4.16Å; A432-I449 CarbonylContact C-O 3.54Å; A432-I449 WeakPolarHBondContact CA-O 3.48Å |
| 433 | V | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 121.2 | 165.2 | -164.8 | 0 | 0 | 0 | 0 | 108.7 | I426 L428 V435 V448 I449 L451 L475 F501 | I426-V433 HydrophobicContact CB-CG1 3.83Å; I426-V433 HydrophobicContact CD1-CG1 4.26Å; I426-V433 HydrophobicContact CG2-CG1 3.92Å; L428-V433 HydrophobicContact CD1-CG2 3.87Å; V433-V435 HydrophobicContact CG1-CG2 4.31Å; V433-V448 WeakPolarHBondContact O-CA 3.45Å; V433-I449 HydrophobicContact CB-CB 4.07Å; V433-I449 HydrophobicContact CB-CD1 4.38Å; V433-I449 HydrophobicContact CG2-CB 4.3Å; V433-I449 PolarHBondContact N-O 2.68Å; V433-I449 PolarHBondContact O-N 2.67Å; V433-L451 HydrophobicContact CG2-CD1 4.38Å; V433-L451 HydrophobicContact CG2-CD2 3.81Å; V433-L451 HydrophobicContact CG2-CG 4.2Å; V433-L475 HydrophobicContact CG2-CD1 4.5Å; V433-F501 HydrophobicContact CG1-CZ 4.3Å; V433-F501 HydrophobicContact CG2-CE1 3.43Å; V433-F501 VanDerWaalsContact CG2-CE1 3.43Å; V433-F501 HydrophobicContact CG2-CZ 3.73Å |
| 434 | I | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 109.4 | 172.8 | -43.5 | -56.8 | 0 | 0 | 0 | 107.8 | L395 L399 Y402 I426 F427 F429 A432 M445 V448 | L395-I434 HydrophobicContact CD2-CG2 4.24Å; L399-I434 HydrophobicContact CD2-CD1 4.16Å; L399-I434 HydrophobicContact CD2-CG1 3.94Å; Y402-I434 HydrophobicContact CD2-CD1 4Å; Y402-I434 HydrophobicContact CE2-CD1 3.66Å; I426-I434 CarbonylContact C-O 3.5Å; I426-I434 VanDerWaalsContact CA-O 3.3Å; I426-I434 WeakPolarHBondContact CA-O 3.23Å; F427-I434 HydrophobicContact CB-CB 4.22Å; F427-I434 HydrophobicContact CB-CG1 4.49Å; F427-I434 PolarHBondContact N-O 3.42Å; F427-I434 PolarHBondContact O-N 3.47Å; F429-I434 HydrophobicContact CD2-CG1 4.14Å; F429-I434 HydrophobicContact CE2-CG1 4.08Å; A432-I434 HydrophobicContact CB-CD1 4.43Å; I434-M445 HydrophobicContact CG2-CG 3.88Å; I434-V448 HydrophobicContact CD1-CB 4.45Å; I434-V448 HydrophobicContact CD1-CG1 3.92Å; I434-V448 HydrophobicContact CD1-CG2 3.91Å |
| 435 | V | 95.4 | Very high | 93 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.024 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 117.3 | 179.6 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | R424 I426 V433 K446 E447 I449 | R424-V435 HydrophobicContact CB-CG1 3.93Å; R424-V435 HydrophobicContact CG-CG1 3.76Å; I426-V435 HydrophobicContact CG2-CB 4.46Å; I426-V435 HydrophobicContact CG2-CG1 4.4Å; I426-V435 HydrophobicContact CG2-CG2 4.11Å; V433-V435 HydrophobicContact CG1-CG2 4.31Å; V435-K446 WeakPolarHBondContact O-CA 3.22Å; V435-K446 WeakPolarHBondContact O-CB 3.43Å; V435-K446 PolarHBondContact O-N 2.81Å; V435-E447 HydrophobicContact CB-CB 4.2Å; V435-E447 PolarHBondContact N-O 3.35Å; V435-E447 PolarHBondContact O-N 3.2Å; V435-I449 HydrophobicContact CG2-CD1 3.74Å; V435-I449 HydrophobicContact CG2-CG1 4.17Å |
| 436 | C | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 152.1 | -174.2 | -65.2 | 0 | 0 | 0 | 0 | 112 | R424 H425 F427 Y443 E444 | R424-C436 WeakPolarHBondContact CA-O 3.46Å; R424-C436 WeakPolarHBondContact CD-O 3.09Å; H425-C436 HydrophobicContact CB-CB 4.49Å; H425-C436 PolarHBondContact N-O 3.48Å; H425-C436 WeakPolarHBondContact O-CA 3.23Å; H425-C436 WeakPolarHBondContact O-CB 3.3Å; H425-C436 PolarHBondContact O-N 2.98Å; F427-C436 HydrophobicContact CE2-CB 4.45Å; C436-Y443 HydrophobicContact CB-CD1 4.25Å; C436-E444 CarbonylContact C-O 3.59Å; C436-E444 VanDerWaalsContact CA-O 3.31Å; C436-E444 WeakPolarHBondContact CA-O 3.41Å |
| 437 | K | 94.4 | Very high | 92.8 | Very high | 75 Ų | 75 | 34.6 Ų | 34.6 | 33% | 0.326 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.3 | 161.3 | -175.5 | 177.6 | -179.4 | -177 | 0 | 108.3 | R439 E444 K446 | K437-R439 VanDerWaalsContact CE-CZ 3.48Å; K437-E444 PolarHBondContact N-O 3.35Å; K437-E444 WeakPolarHBondContact O-CB 3.49Å; K437-E444 PolarHBondContact O-N 3.02Å; K437-K446 HydrophobicContact CB-CD 4.35Å; K437-K446 HydrophobicContact CB-CG 3.93Å |
| 438 | R | 88.4 | Confident | 92.7 | Very high | 68 Ų | 68 | 36.9 Ų | 36.9 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 140.1 | -179.7 | -170.2 | 171.7 | 165 | -154.3 | -11.2 | 112.3 | F98 E410 G440 Y443 | F98-R438 VanDerWaalsContact CE1-NH1 3.31Å; E410-R438 IonicContact OE1-NH1 3.16Å; E410-R438 PolarHBondContact OE1-NH1 3.06Å; R438-G440 PolarHBondContact NE-O 2.79Å; R438-G440 PolarHBondContact NH2-O 2.99Å; R438-Y443 HydrophobicContact CB-CD1 4.43Å; R438-Y443 HydrophobicContact CB-CE1 4.47Å; R438-Y443 HydrophobicContact CG-CD1 4.39Å; R438-Y443 HydrophobicContact CG-CE1 4.12Å |
| 439 | R | 87.5 | Confident | 92.5 | Very high | 122 Ų | 122 | 37 Ų | 37 | 46% | 0.46 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 77.6 | 180 | -62.6 | -60.7 | -176.3 | -179 | 14.8 | 110 | K437 D441 N442 E444 | K437-R439 VanDerWaalsContact CE-CZ 3.48Å; R439-D441 PolarHBondContact O-N 2.75Å; R439-D441 VanDerWaalsContact O-N 3.15Å; R439-N442 CarbonylContact C-O 3.58Å; R439-N442 WeakPolarHBondContact CA-O 3.28Å; R439-N442 PolarHBondContact N-O 2.74Å; R439-N442 PolarHBondContact O-N 3.16Å; R439-E444 HydrophobicContact CG-CB 4.17Å; R439-E444 IonicContact CZ-OE2 3.66Å; R439-E444 IonicContact NE-OE2 3.69Å; R439-E444 PolarHBondContact NE-OE2 3.06Å; R439-E444 VanDerWaalsContact NE-OE2 3.14Å; R439-E444 IonicContact NH2-OE2 2.75Å; R439-E444 PolarHBondContact NH2-OE2 3.23Å |
| 440 | G | 81.7 | Confident | 92.4 | Very high | 51 Ų | 51 | 40 Ų | 40 | 53% | 0.526 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | -110.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R438 | R438-G440 PolarHBondContact NE-O 2.79Å; R438-G440 PolarHBondContact NH2-O 2.99Å |
| 441 | D | 75.4 | Confident | 92.4 | Very high | 88 Ų | 88 | 40 Ų | 40 | 47% | 0.471 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -13.2 | 179.4 | -63.3 | -17.9 | 0 | 0 | 0 | 113.2 | R77 R439 | R77-D441 IonicContact CZ-OD1 3.52Å; R77-D441 IonicContact NE-OD1 2.84Å; R77-D441 PolarHBondContact NE-OD1 2.85Å; R77-D441 VanDerWaalsContact NE-OD1 3.11Å; R77-D441 IonicContact NE-OD2 3.56Å; R77-D441 IonicContact NH2-OD1 3.87Å; R77-D441 PolarHBondContact NH2-OD1 2.86Å; R439-D441 PolarHBondContact O-N 2.75Å; R439-D441 VanDerWaalsContact O-N 3.15Å |
| 442 | N | 88.1 | Confident | 92.3 | Very high | 71 Ų | 71 | 43.9 Ų | 43.9 | 38% | 0.38 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 163.7 | 175 | -70 | -7.6 | 0 | 0 | 0 | 111.6 | E393 R439 | E393-N442 PolarHBondContact OE1-ND2 2.87Å; R439-N442 CarbonylContact C-O 3.58Å; R439-N442 WeakPolarHBondContact CA-O 3.28Å; R439-N442 PolarHBondContact N-O 2.74Å; R439-N442 PolarHBondContact O-N 3.16Å |
| 443 | Y | 94 | Very high | 92.1 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.6 | -179.5 | -61.7 | -91.5 | 0 | 0 | 0 | 109.6 | F70 S391 I392 E393 H425 F427 C436 R438 | F70-Y443 AromaticContact CD2-CE2 3.56Å; F70-Y443 HydrophobicContact CD2-CE2 3.56Å; F70-Y443 AromaticContact CE2-CE2 3.84Å; F70-Y443 HydrophobicContact CE2-CE2 3.84Å; S391-Y443 PolarHBondContact O-N 2.99Å; I392-Y443 CarbonylContact C-O 3.46Å; I392-Y443 VanDerWaalsContact CA-O 3.32Å; I392-Y443 WeakPolarHBondContact CA-O 3.41Å; E393-Y443 PolarHBondContact N-O 3.04Å; H425-Y443 HydrophobicContact CB-CD1 3.93Å; H425-Y443 HydrophobicContact CB-CE1 3.84Å; H425-Y443 AromaticContact CD2-CE1 3.51Å; H425-Y443 AromaticContact CE1-CE1 3.93Å; H425-Y443 AromaticContact CG-CD1 3.93Å; H425-Y443 AromaticContact CG-CE1 3.4Å; H425-Y443 VanDerWaalsContact CG-CE1 3.4Å; H425-Y443 AromaticContact ND1-CE1 3.67Å; H425-Y443 AromaticContact NE2-CE1 3.82Å; F427-Y443 AromaticContact CE2-CD1 3.81Å; F427-Y443 HydrophobicContact CE2-CD1 3.81Å; F427-Y443 HydrophobicContact CE2-CD2 4.29Å; F427-Y443 HydrophobicContact CE2-CE1 4.22Å; F427-Y443 AromaticContact CE2-CG 3.84Å; F427-Y443 HydrophobicContact CE2-CG 3.84Å; F427-Y443 AromaticContact CZ-CD1 3.97Å; F427-Y443 HydrophobicContact CZ-CD1 3.97Å; F427-Y443 AromaticContact CZ-CD2 3.88Å; F427-Y443 HydrophobicContact CZ-CD2 3.88Å; F427-Y443 HydrophobicContact CZ-CE1 4.01Å; F427-Y443 AromaticContact CZ-CE2 3.97Å; F427-Y443 HydrophobicContact CZ-CE2 3.97Å; F427-Y443 AromaticContact CZ-CG 3.89Å; F427-Y443 HydrophobicContact CZ-CG 3.89Å; F427-Y443 AromaticContact CZ-CZ 3.99Å; C436-Y443 HydrophobicContact CB-CD1 4.25Å; R438-Y443 HydrophobicContact CB-CD1 4.43Å; R438-Y443 HydrophobicContact CB-CE1 4.47Å; R438-Y443 HydrophobicContact CG-CD1 4.39Å; R438-Y443 HydrophobicContact CG-CE1 4.12Å |
| 444 | E | 95.5 | Very high | 91.9 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 18% | 0.178 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 112.3 | 176.7 | -171.5 | -170.5 | 169.1 | 0 | 0 | 108.5 | C436 K437 R439 K446 | C436-E444 CarbonylContact C-O 3.59Å; C436-E444 VanDerWaalsContact CA-O 3.31Å; C436-E444 WeakPolarHBondContact CA-O 3.41Å; K437-E444 PolarHBondContact N-O 3.35Å; K437-E444 WeakPolarHBondContact O-CB 3.49Å; K437-E444 PolarHBondContact O-N 3.02Å; R439-E444 HydrophobicContact CG-CB 4.17Å; R439-E444 IonicContact CZ-OE2 3.66Å; R439-E444 IonicContact NE-OE2 3.69Å; R439-E444 PolarHBondContact NE-OE2 3.06Å; R439-E444 VanDerWaalsContact NE-OE2 3.14Å; R439-E444 IonicContact NH2-OE2 2.75Å; R439-E444 PolarHBondContact NH2-OE2 3.23Å; E444-K446 PolarHBondContact O-N 3.21Å; E444-K446 IonicContact OE1-NZ 3.87Å; E444-K446 PolarHBondContact OE1-NZ 3.26Å; E444-K446 WeakPolarHBondContact OE2-CE 3.16Å; E444-K446 IonicContact OE2-NZ 3.79Å; E444-K446 PolarHBondContact OE2-NZ 2.98Å |
| 445 | M | 95.8 | Very high | 91.6 | Very high | 22 Ų | 22 | 53.1 Ų | 53.1 | 11% | 0.108 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 129.4 | 177.8 | -169.9 | -78.5 | -67.4 | 0 | 0 | 110.1 | I392 E393 N394 L395 I434 E447 V448 | I392-M445 HydrophobicContact CG2-CB 3.94Å; E393-M445 VanDerWaalsContact O-CB 3.26Å; E393-M445 WeakPolarHBondContact O-CB 3.41Å; E393-M445 PolarHBondContact O-N 3.18Å; N394-M445 WeakPolarHBondContact O-CE 3.47Å; L395-M445 HydrophobicContact CD2-CG 4.35Å; I434-M445 HydrophobicContact CG2-CG 3.88Å; M445-E447 PolarHBondContact SD-N 3.32Å; M445-V448 HydrophobicContact CG-CG2 4.3Å; M445-V448 HydrophobicContact SD-CG2 3.94Å |
| 446 | K | 93.9 | Very high | 91.4 | Very high | 88 Ų | 88 | 55.1 Ų | 55.1 | 38% | 0.383 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | -38.7 | 177.5 | -64.3 | -57.5 | 177.7 | -172.9 | 0 | 112.5 | V435 K437 E444 | V435-K446 WeakPolarHBondContact O-CA 3.22Å; V435-K446 WeakPolarHBondContact O-CB 3.43Å; V435-K446 PolarHBondContact O-N 2.81Å; K437-K446 HydrophobicContact CB-CD 4.35Å; K437-K446 HydrophobicContact CB-CG 3.93Å; E444-K446 PolarHBondContact O-N 3.21Å; E444-K446 IonicContact OE1-NZ 3.87Å; E444-K446 PolarHBondContact OE1-NZ 3.26Å; E444-K446 WeakPolarHBondContact OE2-CE 3.16Å; E444-K446 IonicContact OE2-NZ 3.79Å; E444-K446 PolarHBondContact OE2-NZ 2.98Å |
| 447 | E | 92.1 | Very high | 90.9 | Very high | 82 Ų | 82 | 58 Ų | 58 | 38% | 0.383 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 147.7 | -176.3 | -168.2 | 161.3 | -161.8 | 0 | 0 | 110.5 | V435 M445 F484 | V435-E447 HydrophobicContact CB-CB 4.2Å; V435-E447 PolarHBondContact N-O 3.35Å; V435-E447 PolarHBondContact O-N 3.2Å; M445-E447 PolarHBondContact SD-N 3.32Å; E447-F484 VanDerWaalsContact OE1-CZ 3.25Å; E447-F484 WeakPolarHBondContact OE1-CZ 3.48Å; E447-F484 WeakPolarHBondContact OE2-CE1 3.22Å |
| 448 | V | 94.6 | Very high | 90.1 | Very high | 49 Ų | 49 | 58.4 Ų | 58.4 | 30% | 0.297 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 118.9 | 171.6 | 176.6 | 0 | 0 | 0 | 0 | 107.7 | Y402 A432 V433 I434 M445 | Y402-V448 HydrophobicContact CE1-CG1 4.19Å; A432-V448 HydrophobicContact CB-CG1 4.16Å; V433-V448 WeakPolarHBondContact O-CA 3.45Å; I434-V448 HydrophobicContact CD1-CB 4.45Å; I434-V448 HydrophobicContact CD1-CG1 3.92Å; I434-V448 HydrophobicContact CD1-CG2 3.91Å; M445-V448 HydrophobicContact CG-CG2 4.3Å; M445-V448 HydrophobicContact SD-CG2 3.94Å |
| 449 | I | 94 | Very high | 89.2 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 111.5 | 179 | -55.7 | 171.4 | 0 | 0 | 0 | 108 | A432 V433 V435 L451 F454 L475 F484 F486 | A432-I449 CarbonylContact C-O 3.54Å; A432-I449 WeakPolarHBondContact CA-O 3.48Å; V433-I449 HydrophobicContact CB-CB 4.07Å; V433-I449 HydrophobicContact CB-CD1 4.38Å; V433-I449 HydrophobicContact CG2-CB 4.3Å; V433-I449 PolarHBondContact N-O 2.68Å; V433-I449 PolarHBondContact O-N 2.67Å; V435-I449 HydrophobicContact CG2-CD1 3.74Å; V435-I449 HydrophobicContact CG2-CG1 4.17Å; I449-L451 PolarHBondContact O-N 2.88Å; I449-F454 HydrophobicContact CG2-CD2 3.71Å; I449-F454 HydrophobicContact CG2-CE2 3.64Å; I449-F454 HydrophobicContact CG2-CG 4.29Å; I449-F454 HydrophobicContact CG2-CZ 4.15Å; I449-L475 HydrophobicContact CG2-CD1 4.42Å; I449-F484 HydrophobicContact CD1-CD1 4.02Å; I449-F484 HydrophobicContact CD1-CD2 3.75Å; I449-F484 HydrophobicContact CD1-CE1 4.09Å; I449-F484 HydrophobicContact CD1-CE2 3.84Å; I449-F484 HydrophobicContact CD1-CG 3.84Å; I449-F484 HydrophobicContact CD1-CZ 4.01Å; I449-F484 HydrophobicContact CG1-CD2 4.24Å; I449-F484 HydrophobicContact CG1-CE1 4.42Å; I449-F484 HydrophobicContact CG1-CE2 3.83Å; I449-F484 HydrophobicContact CG1-CZ 3.94Å; I449-F484 HydrophobicContact CG2-CD2 4.3Å; I449-F484 HydrophobicContact CG2-CE2 4.12Å; I449-F486 HydrophobicContact CD1-CZ 3.84Å |
| 450 | D | 93.9 | Very high | 87.9 | Confident | 64 Ų | 64 | 54.3 Ų | 54.3 | 34% | 0.342 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 106.9 | 176.7 | 179.2 | 3.5 | 0 | 0 | 0 | 111.1 | H452 L453 F454 | D450-H452 PolarHBondContact O-N 3.09Å; D450-H452 VanDerWaalsContact O-N 3.09Å; D450-H452 VanDerWaalsContact OD1-CB 3.3Å; D450-H452 WeakPolarHBondContact OD1-CB 3.42Å; D450-H452 IonicContact OD1-CE1 3.05Å; D450-H452 IonicContact OD1-CG 2.66Å; D450-H452 PolarHBondContact OD1-N 3.24Å; D450-H452 IonicContact OD1-ND1 3.89Å; D450-H452 PolarHBondContact OD1-ND1 3.01Å; D450-L453 HydrophobicContact CB-CD1 4.44Å; D450-L453 HydrophobicContact CB-CG 4.5Å; D450-L453 PolarHBondContact O-N 3.06Å; D450-F454 VanDerWaalsContact O-CD2 3.23Å; D450-F454 WeakPolarHBondContact O-CD2 3.42Å |
| 451 | L | 95.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -65.2 | -15.8 | -175.7 | -67.2 | 176.7 | 0 | 0 | 0 | 113.2 | L428 A431 V433 I449 L453 F454 L475 F501 A504 I508 R509 | L428-L451 HydrophobicContact CD1-CD1 3.81Å; A431-L451 WeakPolarHBondContact O-CB 3.23Å; A431-L451 PolarHBondContact O-N 2.5Å; V433-L451 HydrophobicContact CG2-CD1 4.38Å; V433-L451 HydrophobicContact CG2-CD2 3.81Å; V433-L451 HydrophobicContact CG2-CG 4.2Å; I449-L451 PolarHBondContact O-N 2.88Å; L451-L453 PolarHBondContact O-N 3.25Å; L451-F454 PolarHBondContact O-N 2.81Å; L451-L475 HydrophobicContact CD2-CD1 4.24Å; L451-F501 HydrophobicContact CD2-CD1 4.26Å; L451-F501 HydrophobicContact CD2-CE1 4.14Å; L451-A504 HydrophobicContact CD1-CB 4Å; L451-I508 HydrophobicContact CB-CD1 3.39Å; L451-R509 PolarHBondContact O-NH2 3.01Å |
| 452 | H | 92.8 | Very high | 85.9 | Confident | 95 Ų | 95 | 53.1 Ų | 53.1 | 44% | 0.44 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -61.3 | -23.3 | 171.1 | -63.9 | 85.5 | 0 | 0 | 0 | 112.7 | D450 I508 R509 | D450-H452 PolarHBondContact O-N 3.09Å; D450-H452 VanDerWaalsContact O-N 3.09Å; D450-H452 VanDerWaalsContact OD1-CB 3.3Å; D450-H452 WeakPolarHBondContact OD1-CB 3.42Å; D450-H452 IonicContact OD1-CE1 3.05Å; D450-H452 IonicContact OD1-CG 2.66Å; D450-H452 PolarHBondContact OD1-N 3.24Å; D450-H452 IonicContact OD1-ND1 3.89Å; D450-H452 PolarHBondContact OD1-ND1 3.01Å; H452-I508 WeakPolarHBondContact CD2-CG2 3.5Å; H452-I508 WeakPolarHBondContact NE2-CG2 3.5Å; H452-R509 PolarHBondContact O-NH2 3.22Å |
| 453 | L | 92.3 | Very high | 84.4 | Confident | 73 Ų | 73 | 52.5 Ų | 52.5 | 38% | 0.382 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -100.1 | -8.8 | -176 | -57.5 | -178.9 | 0 | 0 | 0 | 113.8 | D450 L451 N478 | D450-L453 HydrophobicContact CB-CD1 4.44Å; D450-L453 HydrophobicContact CB-CG 4.5Å; D450-L453 PolarHBondContact O-N 3.06Å; L451-L453 PolarHBondContact O-N 3.25Å; L453-N478 WeakPolarHBondContact O-CB 3.3Å; L453-N478 PolarHBondContact O-N 3.45Å; L453-N478 PolarHBondContact O-ND2 2.9Å |
| 454 | F | 92.1 | Very high | 82.7 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 7% | 0.066 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 165.1 | -174.3 | -66.4 | -96.5 | 0 | 0 | 0 | 112.7 | I449 D450 L451 L475 T476 H477 F484 R509 | I449-F454 HydrophobicContact CG2-CD2 3.71Å; I449-F454 HydrophobicContact CG2-CE2 3.64Å; I449-F454 HydrophobicContact CG2-CG 4.29Å; I449-F454 HydrophobicContact CG2-CZ 4.15Å; D450-F454 VanDerWaalsContact O-CD2 3.23Å; D450-F454 WeakPolarHBondContact O-CD2 3.42Å; L451-F454 PolarHBondContact O-N 2.81Å; F454-L475 HydrophobicContact CB-CB 4.38Å; F454-L475 HydrophobicContact CD1-CB 4.09Å; F454-L475 HydrophobicContact CG-CB 4.49Å; F454-T476 CarbonylContact C-O 3.56Å; F454-T476 VanDerWaalsContact CA-O 3.31Å; F454-T476 WeakPolarHBondContact CA-O 3.49Å; F454-H477 HydrophobicContact CD1-CB 4.17Å; F454-H477 HydrophobicContact CE1-CB 3.85Å; F454-H477 HydrophobicContact CZ-CB 4.38Å; F454-H477 AromaticContact CZ-CD2 3.78Å; F454-F484 AromaticContact CE1-CD2 3.87Å; F454-F484 HydrophobicContact CE1-CD2 3.87Å; F454-F484 AromaticContact CE1-CE2 3.84Å; F454-F484 HydrophobicContact CE1-CE2 3.84Å; F454-F484 HydrophobicContact CZ-CD2 4.19Å; F454-F484 AromaticContact CZ-CE2 3.71Å; F454-F484 HydrophobicContact CZ-CE2 3.71Å; F454-R509 PolarHBondContact O-NH1 2.77Å; F454-R509 PolarHBondContact O-NH2 2.81Å |
| 455 | K | 90.5 | Very high | 81 | Confident | 105 Ų | 105 | 64.8 Ų | 64.8 | 46% | 0.457 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 147.9 | 167.9 | 67.1 | -175.8 | -180 | -178.9 | 0 | 110.1 | T476 | K455-T476 WeakPolarHBondContact CE-OG1 3.43Å; K455-T476 WeakPolarHBondContact CG-OG1 3.43Å; K455-T476 PolarHBondContact N-O 3.1Å; K455-T476 PolarHBondContact O-N 2.89Å; K455-T476 PolarHBondContact O-OG1 3.44Å |
| 456 | I | 91.2 | Very high | 79.9 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 24% | 0.241 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 136.8 | 175.9 | -61.7 | 158.7 | 0 | 0 | 0 | 109 | F473 Y474 L475 L498 F501 I505 | I456-F473 HydrophobicContact CG2-CD2 4.13Å; I456-Y474 CarbonylContact C-O 3.53Å; I456-Y474 WeakPolarHBondContact CA-O 3.45Å; I456-L475 HydrophobicContact CG1-CD2 3.71Å; I456-L498 HydrophobicContact CG2-CD1 3.49Å; I456-L498 VanDerWaalsContact CG2-CD1 3.49Å; I456-F501 HydrophobicContact CD1-CB 3.61Å; I456-F501 HydrophobicContact CG1-CB 4.32Å; I456-I505 HydrophobicContact CD1-CD1 3.55Å; I456-I505 HydrophobicContact CD1-CG1 4.44Å; I456-I505 HydrophobicContact CG1-CD1 3.57Å |
| 457 | T | 86.4 | Confident | 79.3 | Confident | 59 Ų | 59 | 75.3 Ų | 75.3 | 36% | 0.362 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 119.6 | 171 | -53.8 | 0 | 0 | 0 | 0 | 108 | Y474 T476 | T457-Y474 PolarHBondContact N-O 2.96Å; T457-Y474 PolarHBondContact O-N 3.45Å; T457-T476 PolarHBondContact OG1-OG1 3.33Å |
| 458 | N | 76.4 | Confident | 79 | Confident | 84 Ų | 84 | 75.2 Ų | 75.2 | 45% | 0.449 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 140.2 | -179.5 | -163.5 | 6.3 | 0 | 0 | 0 | 109.9 | P460 K494 | N458-P460 WeakPolarHBondContact O-CD 3.41Å; N458-K494 WeakPolarHBondContact OD1-CE 2.75Å; N458-K494 PolarHBondContact OD1-NZ 3.32Å |
| 459 | N | 69.4 | Low | 78.6 | Confident | 7 Ų | 7 | 75 Ų | 75 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | trans | -98 | 101.8 | 175.2 | -174.2 | -6.8 | 0 | 0 | 0 | 109.6 | T461 S462 Y474 E485 | N459-T461 VanDerWaalsContact C-N 3.27Å; N459-T461 PolarHBondContact O-N 3.09Å; N459-T461 PolarHBondContact OD1-N 3.38Å; N459-T461 PolarHBondContact OD1-OG1 3.09Å; N459-S462 PolarHBondContact O-OG 3.27Å; N459-Y474 HydrophobicContact CB-CD2 3.77Å; N459-Y474 HydrophobicContact CB-CE2 3.51Å; N459-Y474 WeakPolarHBondContact ND2-CE2 3.43Å; N459-Y474 PolarHBondContact ND2-OH 3.35Å; N459-Y474 VanDerWaalsContact ND2-OH 3.09Å; N459-E485 PolarHBondContact ND2-OE1 3.18Å | ||
| 460 | P | 60.5 | Low | 78.3 | Confident | 98 Ų | 98 | 75.1 Ų | 75.1 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -16.4 | 178.9 | 28.8 | -33.7 | 0 | 0 | 0 | 113.4 | N458 | N458-P460 WeakPolarHBondContact O-CD 3.41Š|
| 461 | T | 58.4 | Low | 78 | Confident | 98 Ų | 98 | 73.3 Ų | 73.3 | 60% | 0.601 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -26.8 | -176.9 | 17.2 | 0 | 0 | 0 | 0 | 113.5 | N459 | N459-T461 VanDerWaalsContact C-N 3.27Å; N459-T461 PolarHBondContact O-N 3.09Å; N459-T461 PolarHBondContact OD1-N 3.38Å; N459-T461 PolarHBondContact OD1-OG1 3.09Å |
| 462 | S | 55.9 | Low | 77.7 | Confident | 16 Ų | 16 | 73.3 Ų | 73.3 | 11% | 0.112 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -79.3 | -24 | -176.4 | 72.3 | 0 | 0 | 0 | 0 | 113.6 | N459 K464 S470 G472 | N459-S462 PolarHBondContact O-OG 3.27Å; S462-K464 PolarHBondContact O-N 3.32Å; S462-S470 WeakPolarHBondContact CB-O 3.12Å; S462-S470 PolarHBondContact OG-O 2.77Å; S462-G472 PolarHBondContact OG-N 3.03Å |
| 463 | D | 56.9 | Low | 77.7 | Confident | 58 Ų | 58 | 68.8 Ų | 68.8 | 31% | 0.31 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -78.2 | -2.1 | -176.3 | -66.2 | -12.2 | 0 | 0 | 0 | 113.6 | K494 | D463-K494 IonicContact OD1-NZ 2.95Å; D463-K494 PolarHBondContact OD1-NZ 3.15Å; D463-K494 IonicContact OD2-NZ 3.55Å; D463-K494 PolarHBondContact OD2-NZ 2.81Å |
| 464 | K | 58 | Low | 77.6 | Confident | 174 Ų | 174 | 69.1 Ų | 69.1 | 76% | 0.757 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -79.8 | -21.4 | 178.3 | -67.3 | -174 | 178.8 | -177.7 | 0 | 113.2 | S462 | S462-K464 PolarHBondContact O-N 3.32Š|
| 465 | E | 60.8 | Low | 77.6 | Confident | 123 Ų | 123 | 68.4 Ų | 68.4 | 58% | 0.575 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -95.4 | 104.3 | 178 | -65.8 | -177.7 | 177.3 | 0 | 0 | 108.2 | R467 S470 | E465-R467 HydrophobicContact CB-CB 4.5Å; E465-R467 PolarHBondContact O-N 3.02Å; E465-S470 PolarHBondContact O-OG 3.45Å |
| 466 | N | 71.6 | Confident | 77.5 | Confident | 149 Ų | 149 | 65.3 Ų | 65.3 | 80% | 0.797 | 32% | 0.323 | S | S | * | . | trans | -71.1 | 63.2 | 171.4 | -96 | -1.6 | 0 | 0 | 0 | 110.7 | Y471 | N466-Y471 WeakPolarHBondContact CA-OH 3.41Å; N466-Y471 PolarHBondContact OD1-OH 2.98Å | ||
| 467 | R | 82.6 | Confident | 77.4 | Confident | 183 Ų | 183 | 63.8 Ų | 63.8 | 69% | 0.691 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -133.6 | 139.5 | -174.9 | -173.1 | 178.9 | -179.2 | -178.4 | 2.2 | 109.8 | E465 W469 S470 | E465-R467 HydrophobicContact CB-CB 4.5Å; E465-R467 PolarHBondContact O-N 3.02Å; R467-W469 PolarHBondContact O-N 3.01Å; R467-S470 WeakPolarHBondContact O-CB 3.33Å; R467-S470 PolarHBondContact O-N 2.89Å; R467-S470 VanDerWaalsContact O-N 3.15Å; R467-S470 PolarHBondContact O-OG 3.14Å |
| 468 | K | 84.8 | Confident | 77.4 | Confident | 79 Ų | 79 | 64.7 Ų | 64.7 | 34% | 0.343 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 136.3 | 174.3 | -65.2 | -172.4 | 179 | -169.1 | 0 | 111.3 | D147 D150 S470 K489 | D147-K468 WeakPolarHBondContact OD1-CE 3.33Å; D147-K468 IonicContact OD1-NZ 2.73Å; D147-K468 PolarHBondContact OD1-NZ 3.33Å; D150-K468 IonicContact OD2-NZ 3.77Å; K468-S470 VanDerWaalsContact C-N 3.32Å; K468-S470 PolarHBondContact O-N 3.47Å; K468-K489 VanDerWaalsContact CA-O 3.26Å; K468-K489 WeakPolarHBondContact CA-O 3.31Å; K468-K489 HydrophobicContact CB-CG 4.33Å; K468-K489 HydrophobicContact CD-CG 4.19Å; K468-K489 HydrophobicContact CG-CG 4.36Å |
| 469 | W | 87.8 | Confident | 77.8 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 20.2 | -179.6 | -54.1 | 100.3 | 0 | 0 | 0 | 116.3 | R412 K421 R467 F488 K489 | R412-W469 HydrophobicContact CB-CE3 3.99Å; R412-W469 HydrophobicContact CB-CZ3 4.31Å; R412-W469 HydrophobicContact CG-CD2 4.3Å; R412-W469 HydrophobicContact CG-CE3 3.79Å; R412-W469 HydrophobicContact CG-CZ3 4.08Å; K421-W469 PolarHBondContact NZ-O 3.42Å; R467-W469 PolarHBondContact O-N 3.01Å; W469-F488 VanDerWaalsContact CA-O 3.22Å; W469-F488 WeakPolarHBondContact CA-O 2.93Å; W469-F488 PolarHBondContact N-O 3.39Å; W469-K489 HydrophobicContact CD2-CB 4.31Å; W469-K489 HydrophobicContact CH2-CB 4.37Å; W469-K489 HydrophobicContact CZ2-CB 4.09Å; W469-K489 HydrophobicContact CZ2-CD 4.41Å; W469-K489 HydrophobicContact CZ2-CG 4.27Å; W469-K489 PolarHBondContact N-O 3.29Å |
| 470 | S | 87.4 | Confident | 78 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 4% | 0.035 | 36% | 0.362 | C | S | . | . | trans | -95.2 | -24.9 | 169.1 | 68.1 | 0 | 0 | 0 | 0 | 112.6 | S462 E465 R467 K468 G472 | S462-S470 WeakPolarHBondContact CB-O 3.12Å; S462-S470 PolarHBondContact OG-O 2.77Å; E465-S470 PolarHBondContact O-OG 3.45Å; R467-S470 WeakPolarHBondContact O-CB 3.33Å; R467-S470 PolarHBondContact O-N 2.89Å; R467-S470 VanDerWaalsContact O-N 3.15Å; R467-S470 PolarHBondContact O-OG 3.14Å; K468-S470 VanDerWaalsContact C-N 3.32Å; K468-S470 PolarHBondContact O-N 3.47Å; S470-G472 PolarHBondContact O-N 3.46Å | ||
| 471 | Y | 88.1 | Confident | 78.8 | Confident | 25 Ų | 25 | 71.7 Ų | 71.7 | 10% | 0.098 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 116.8 | -173.9 | -50.8 | -76.5 | 0 | 0 | 0 | 111 | N466 F487 F488 K491 | N466-Y471 WeakPolarHBondContact CA-OH 3.41Å; N466-Y471 PolarHBondContact OD1-OH 2.98Å; Y471-F487 CarbonylContact O-C 3.5Å; Y471-F487 WeakPolarHBondContact O-CA 3.5Å; Y471-F488 WeakPolarHBondContact O-CD2 3.49Å; Y471-F488 PolarHBondContact O-N 3.21Å; Y471-K491 HydrophobicContact CD1-CB 3.96Å; Y471-K491 HydrophobicContact CD1-CG 4.46Å; Y471-K491 HydrophobicContact CE1-CB 3.96Å; Y471-K491 HydrophobicContact CG-CB 4.32Å |
| 472 | G | 88.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 171.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | S462 S470 F486 K494 | S462-G472 PolarHBondContact OG-N 3.03Å; S470-G472 PolarHBondContact O-N 3.46Å; G472-F486 CarbonylContact C-O 3.59Å; G472-F486 WeakPolarHBondContact CA-O 3.24Å; G472-K494 WeakPolarHBondContact O-CE 3.21Å; G472-K494 PolarHBondContact O-NZ 2.9Å |
| 473 | F | 91.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 162.5 | 170.2 | 64.6 | -101.6 | 0 | 0 | 0 | 110.5 | I456 L475 F486 F488 K494 W497 L498 F501 | I456-F473 HydrophobicContact CG2-CD2 4.13Å; F473-L475 HydrophobicContact CE2-CD2 4.15Å; F473-L475 HydrophobicContact CE2-CG 4.34Å; F473-F486 HydrophobicContact CE2-CD2 4.27Å; F473-F486 HydrophobicContact CZ-CB 4.5Å; F473-F486 PolarHBondContact N-O 3.02Å; F473-F486 VanDerWaalsContact N-O 3.1Å; F473-F486 PolarHBondContact O-N 3.21Å; F473-F488 AromaticContact CD1-CE2 3.6Å; F473-F488 HydrophobicContact CD1-CE2 3.6Å; F473-F488 HydrophobicContact CD1-CZ 4.22Å; F473-F488 HydrophobicContact CE1-CD2 4.44Å; F473-F488 AromaticContact CE1-CE2 3.27Å; F473-F488 HydrophobicContact CE1-CE2 3.27Å; F473-F488 AromaticContact CE1-CZ 3.43Å; F473-F488 HydrophobicContact CE1-CZ 3.43Å; F473-F488 VanDerWaalsContact CE1-CZ 3.43Å; F473-F488 HydrophobicContact CZ-CE2 4.07Å; F473-F488 AromaticContact CZ-CZ 3.86Å; F473-F488 HydrophobicContact CZ-CZ 3.86Å; F473-K494 HydrophobicContact CD1-CG 4.44Å; F473-W497 HydrophobicContact CE1-CB 4.25Å; F473-L498 HydrophobicContact CB-CD1 4.18Å; F473-L498 HydrophobicContact CD1-CB 4.34Å; F473-L498 HydrophobicContact CD1-CD1 3.72Å; F473-L498 HydrophobicContact CD2-CD1 4.33Å; F473-L498 HydrophobicContact CE1-CB 4.29Å; F473-L498 HydrophobicContact CE1-CD1 4.15Å; F473-L498 HydrophobicContact CG-CD1 3.83Å; F473-F501 HydrophobicContact CE2-CD2 4.3Å; F473-F501 HydrophobicContact CE2-CG 4.31Å; F473-F501 HydrophobicContact CZ-CB 4.46Å; F473-F501 AromaticContact CZ-CD2 3.59Å; F473-F501 HydrophobicContact CZ-CD2 3.59Å; F473-F501 AromaticContact CZ-CE2 3.87Å; F473-F501 HydrophobicContact CZ-CE2 3.87Å; F473-F501 AromaticContact CZ-CG 3.99Å; F473-F501 HydrophobicContact CZ-CG 3.99Å; F473-F501 HydrophobicContact CZ-CZ 4.49Å |
| 474 | Y | 89.7 | Confident | 82.8 | Confident | 80 Ų | 80 | 67.9 Ų | 67.9 | 31% | 0.314 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 139.7 | 179.1 | -66.2 | -78.4 | 0 | 0 | 0 | 111.9 | I456 T457 N459 F484 E485 | I456-Y474 CarbonylContact C-O 3.53Å; I456-Y474 WeakPolarHBondContact CA-O 3.45Å; T457-Y474 PolarHBondContact N-O 2.96Å; T457-Y474 PolarHBondContact O-N 3.45Å; N459-Y474 HydrophobicContact CB-CD2 3.77Å; N459-Y474 HydrophobicContact CB-CE2 3.51Å; N459-Y474 WeakPolarHBondContact ND2-CE2 3.43Å; N459-Y474 PolarHBondContact ND2-OH 3.35Å; N459-Y474 VanDerWaalsContact ND2-OH 3.09Å; Y474-F484 CarbonylContact C-O 3.58Å; Y474-F484 WeakPolarHBondContact CA-O 3.47Å; Y474-E485 HydrophobicContact CD1-CB 3.65Å; Y474-E485 HydrophobicContact CD1-CG 3.68Å; Y474-E485 HydrophobicContact CE1-CB 3.51Å; Y474-E485 HydrophobicContact CE1-CG 3.36Å; Y474-E485 WeakPolarHBondContact CE1-OE2 3.12Å; Y474-E485 HydrophobicContact CG-CG 4.38Å; Y474-E485 VanDerWaalsContact CZ-OE1 3.22Å; Y474-E485 PolarHBondContact OH-OE1 3.38Å; Y474-E485 PolarHBondContact OH-OE2 2.79Å; Y474-E485 VanDerWaalsContact OH-OE2 3.05Å |
| 475 | L | 91.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 107.9 | 154.6 | -66.2 | -176.3 | 0 | 0 | 0 | 108 | V433 I449 L451 F454 I456 F473 G483 F484 F486 F501 | V433-L475 HydrophobicContact CG2-CD1 4.5Å; I449-L475 HydrophobicContact CG2-CD1 4.42Å; L451-L475 HydrophobicContact CD2-CD1 4.24Å; F454-L475 HydrophobicContact CB-CB 4.38Å; F454-L475 HydrophobicContact CD1-CB 4.09Å; F454-L475 HydrophobicContact CG-CB 4.49Å; I456-L475 HydrophobicContact CG1-CD2 3.71Å; F473-L475 HydrophobicContact CE2-CD2 4.15Å; F473-L475 HydrophobicContact CE2-CG 4.34Å; L475-G483 CarbonylContact O-C 3.58Å; L475-G483 WeakPolarHBondContact O-CA 3.33Å; L475-F484 HydrophobicContact CB-CB 4.44Å; L475-F484 PolarHBondContact N-O 3.18Å; L475-F484 PolarHBondContact O-N 3.11Å; L475-F486 HydrophobicContact CB-CE2 4.31Å; L475-F486 HydrophobicContact CD1-CD2 4.23Å; L475-F486 HydrophobicContact CD1-CE2 3.37Å; L475-F486 HydrophobicContact CD1-CZ 3.98Å; L475-F486 HydrophobicContact CG-CD2 4.15Å; L475-F486 HydrophobicContact CG-CE2 3.71Å; L475-F501 HydrophobicContact CD1-CD1 4.27Å; L475-F501 HydrophobicContact CD1-CE1 3.6Å; L475-F501 HydrophobicContact CD1-CZ 4.34Å; L475-F501 HydrophobicContact CD2-CD1 4.1Å; L475-F501 HydrophobicContact CD2-CE1 4.25Å; L475-F501 HydrophobicContact CG-CE1 4.39Å |
| 476 | T | 89.3 | Confident | 85.9 | Confident | 41 Ų | 41 | 55 Ų | 55 | 25% | 0.252 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.1 | 179.9 | 54.9 | 0 | 0 | 0 | 0 | 110.3 | F454 K455 T457 | F454-T476 CarbonylContact C-O 3.56Å; F454-T476 VanDerWaalsContact CA-O 3.31Å; F454-T476 WeakPolarHBondContact CA-O 3.49Å; K455-T476 WeakPolarHBondContact CE-OG1 3.43Å; K455-T476 WeakPolarHBondContact CG-OG1 3.43Å; K455-T476 PolarHBondContact N-O 3.1Å; K455-T476 PolarHBondContact O-N 2.89Å; K455-T476 PolarHBondContact O-OG1 3.44Å; T457-T476 PolarHBondContact OG1-OG1 3.33Å |
| 477 | H | 89.7 | Confident | 86.8 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 7% | 0.069 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 135.9 | 177.3 | -170.5 | -94.8 | 0 | 0 | 0 | 110.3 | F454 Q479 G480 Q481 | F454-H477 HydrophobicContact CD1-CB 4.17Å; F454-H477 HydrophobicContact CE1-CB 3.85Å; F454-H477 HydrophobicContact CZ-CB 4.38Å; F454-H477 AromaticContact CZ-CD2 3.78Å; H477-Q479 PolarHBondContact ND1-N 3.3Å; H477-Q479 VanDerWaalsContact ND1-N 3.15Å; H477-Q479 PolarHBondContact O-N 3.49Å; H477-G480 PolarHBondContact O-N 3.12Å; H477-Q481 HydrophobicContact CB-CB 4.03Å; H477-Q481 VanDerWaalsContact CE1-CD 3.47Å |
| 478 | N | 86.6 | Confident | 87.2 | Confident | 77 Ų | 77 | 39.8 Ų | 39.8 | 41% | 0.412 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -30.1 | -175.2 | -71.6 | -19.5 | 0 | 0 | 0 | 113 | L453 R509 | L453-N478 WeakPolarHBondContact O-CB 3.3Å; L453-N478 PolarHBondContact O-N 3.45Å; L453-N478 PolarHBondContact O-ND2 2.9Å; N478-R509 PolarHBondContact ND2-NH2 3.31Å |
| 479 | Q | 84.5 | Confident | 87.3 | Confident | 146 Ų | 146 | 37.3 Ų | 37.3 | 68% | 0.682 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 12.6 | 178.6 | -53 | 177.5 | -9.3 | 0 | 0 | 113.5 | H477 Q481 | H477-Q479 PolarHBondContact ND1-N 3.3Å; H477-Q479 VanDerWaalsContact ND1-N 3.15Å; H477-Q479 PolarHBondContact O-N 3.49Å; Q479-Q481 VanDerWaalsContact C-N 3.31Å; Q479-Q481 HydrophobicContact CB-CG 4.49Å; Q479-Q481 PolarHBondContact O-N 3.04Å |
| 480 | G | 73.7 | Confident | 87.2 | Confident | 72 Ų | 72 | 35.5 Ų | 35.5 | 74% | 0.742 | 19% | 0.193 | S | C | * | . | S | Bend | trans | 72.7 | 20.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | H477 | H477-G480 PolarHBondContact O-N 3.12Š|
| 481 | Q | 76 | Confident | 87.1 | Confident | 118 Ų | 118 | 41.3 Ų | 41.3 | 55% | 0.551 | 22% | 0.217 | S | C | * | . | trans | -81 | -172.5 | 171.5 | -56.9 | 179.8 | 4.8 | 0 | 0 | 110.7 | H477 Q479 | H477-Q481 HydrophobicContact CB-CB 4.03Å; H477-Q481 VanDerWaalsContact CE1-CD 3.47Å; Q479-Q481 VanDerWaalsContact C-N 3.31Å; Q479-Q481 HydrophobicContact CB-CG 4.49Å; Q479-Q481 PolarHBondContact O-N 3.04Å | ||
| 482 | N | 77.1 | Confident | 86.8 | Confident | 70 Ų | 70 | 43.8 Ų | 43.8 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | trans | -52 | 138 | 179.4 | -69 | -11.2 | 0 | 0 | 0 | 112.3 | V416 D417 | V416-N482 HydrophobicContact CB-CB 4.34Å; D417-N482 PolarHBondContact OD1-ND2 2.74Å; D417-N482 PolarHBondContact OD2-ND2 3.27Å | ||
| 483 | G | 86.9 | Confident | 86.6 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | trans | -117.1 | 174.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | V416 L475 | V416-G483 PolarHBondContact N-O 2.84Å; L475-G483 CarbonylContact O-C 3.58Å; L475-G483 WeakPolarHBondContact O-CA 3.33Å | ||
| 484 | F | 91 | Very high | 86.5 | Confident | 11 Ų | 11 | 47 Ų | 47 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142.8 | 177 | -58.9 | -89 | 0 | 0 | 0 | 109.7 | V413 T414 E447 I449 F454 Y474 L475 F486 | V413-F484 HydrophobicContact CG1-CD1 4.1Å; T414-F484 WeakPolarHBondContact O-CA 3.11Å; E447-F484 VanDerWaalsContact OE1-CZ 3.25Å; E447-F484 WeakPolarHBondContact OE1-CZ 3.48Å; E447-F484 WeakPolarHBondContact OE2-CE1 3.22Å; I449-F484 HydrophobicContact CD1-CD1 4.02Å; I449-F484 HydrophobicContact CD1-CD2 3.75Å; I449-F484 HydrophobicContact CD1-CE1 4.09Å; I449-F484 HydrophobicContact CD1-CE2 3.84Å; I449-F484 HydrophobicContact CD1-CG 3.84Å; I449-F484 HydrophobicContact CD1-CZ 4.01Å; I449-F484 HydrophobicContact CG1-CD2 4.24Å; I449-F484 HydrophobicContact CG1-CE1 4.42Å; I449-F484 HydrophobicContact CG1-CE2 3.83Å; I449-F484 HydrophobicContact CG1-CZ 3.94Å; I449-F484 HydrophobicContact CG2-CD2 4.3Å; I449-F484 HydrophobicContact CG2-CE2 4.12Å; F454-F484 AromaticContact CE1-CD2 3.87Å; F454-F484 HydrophobicContact CE1-CD2 3.87Å; F454-F484 AromaticContact CE1-CE2 3.84Å; F454-F484 HydrophobicContact CE1-CE2 3.84Å; F454-F484 HydrophobicContact CZ-CD2 4.19Å; F454-F484 AromaticContact CZ-CE2 3.71Å; F454-F484 HydrophobicContact CZ-CE2 3.71Å; Y474-F484 CarbonylContact C-O 3.58Å; Y474-F484 WeakPolarHBondContact CA-O 3.47Å; L475-F484 HydrophobicContact CB-CB 4.44Å; L475-F484 PolarHBondContact N-O 3.18Å; L475-F484 PolarHBondContact O-N 3.11Å; F484-F486 HydrophobicContact CB-CD2 4.34Å; F484-F486 HydrophobicContact CB-CE2 3.66Å; F484-F486 HydrophobicContact CB-CZ 4.29Å |
| 485 | E | 91.1 | Very high | 86.3 | Confident | 26 Ų | 26 | 49.4 Ų | 49.4 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.1 | 167.1 | -164.2 | 175.4 | -173.6 | 0 | 0 | 108.6 | V413 T414 N459 Y474 F487 | V413-E485 WeakPolarHBondContact CA-O 3.35Å; T414-E485 PolarHBondContact N-O 2.94Å; T414-E485 PolarHBondContact O-N 2.7Å; T414-E485 VanDerWaalsContact OG1-CB 3.31Å; T414-E485 WeakPolarHBondContact OG1-CB 3.41Å; N459-E485 PolarHBondContact ND2-OE1 3.18Å; Y474-E485 HydrophobicContact CD1-CB 3.65Å; Y474-E485 HydrophobicContact CD1-CG 3.68Å; Y474-E485 HydrophobicContact CE1-CB 3.51Å; Y474-E485 HydrophobicContact CE1-CG 3.36Å; Y474-E485 WeakPolarHBondContact CE1-OE2 3.12Å; Y474-E485 HydrophobicContact CG-CG 4.38Å; Y474-E485 VanDerWaalsContact CZ-OE1 3.22Å; Y474-E485 PolarHBondContact OH-OE1 3.38Å; Y474-E485 PolarHBondContact OH-OE2 2.79Å; Y474-E485 VanDerWaalsContact OH-OE2 3.05Å; E485-F487 HydrophobicContact CB-CE2 3.98Å; E485-F487 HydrophobicContact CB-CZ 4.26Å; E485-F487 HydrophobicContact CG-CD2 4.46Å; E485-F487 HydrophobicContact CG-CE1 4.22Å; E485-F487 HydrophobicContact CG-CE2 3.75Å; E485-F487 HydrophobicContact CG-CZ 3.62Å; E485-F487 WeakPolarHBondContact OE1-CZ 3.29Å; E485-F487 WeakPolarHBondContact OE2-CZ 3.48Å |
| 486 | F | 92.9 | Very high | 86 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.7 | 176.2 | -68.2 | -96.2 | 0 | 0 | 0 | 109 | V411 R412 V413 I426 I449 G472 F473 L475 F484 F488 F501 | V411-F486 HydrophobicContact CB-CD1 4.48Å; V411-F486 HydrophobicContact CG2-CD1 4.18Å; V411-F486 HydrophobicContact CG2-CE1 4.5Å; R412-F486 CarbonylContact O-C 3.47Å; V413-F486 HydrophobicContact CG2-CD1 3.33Å; V413-F486 HydrophobicContact CG2-CE1 3.31Å; V413-F486 HydrophobicContact CG2-CG 4.1Å; V413-F486 HydrophobicContact CG2-CZ 4.06Å; I426-F486 HydrophobicContact CD1-CD1 4.42Å; I426-F486 HydrophobicContact CD1-CE1 4.29Å; I426-F486 HydrophobicContact CG2-CE1 4.19Å; I449-F486 HydrophobicContact CD1-CZ 3.84Å; G472-F486 CarbonylContact C-O 3.59Å; G472-F486 WeakPolarHBondContact CA-O 3.24Å; F473-F486 HydrophobicContact CE2-CD2 4.27Å; F473-F486 HydrophobicContact CZ-CB 4.5Å; F473-F486 PolarHBondContact N-O 3.02Å; F473-F486 VanDerWaalsContact N-O 3.1Å; F473-F486 PolarHBondContact O-N 3.21Å; L475-F486 HydrophobicContact CB-CE2 4.31Å; L475-F486 HydrophobicContact CD1-CD2 4.23Å; L475-F486 HydrophobicContact CD1-CE2 3.37Å; L475-F486 HydrophobicContact CD1-CZ 3.98Å; L475-F486 HydrophobicContact CG-CD2 4.15Å; L475-F486 HydrophobicContact CG-CE2 3.71Å; F484-F486 HydrophobicContact CB-CD2 4.34Å; F484-F486 HydrophobicContact CB-CE2 3.66Å; F484-F486 HydrophobicContact CB-CZ 4.29Å; F486-F488 HydrophobicContact CB-CE2 3.73Å; F486-F488 HydrophobicContact CB-CZ 3.6Å; F486-F488 HydrophobicContact CG-CZ 4.44Å; F486-F501 HydrophobicContact CZ-CZ 4.48Å |
| 487 | F | 91.3 | Very high | 86.1 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 6% | 0.057 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.6 | 175.4 | -56.6 | -92.9 | 0 | 0 | 0 | 109.8 | R412 T414 K421 Y471 E485 | R412-F487 HydrophobicContact CB-CB 3.9Å; R412-F487 HydrophobicContact CB-CD2 4.43Å; R412-F487 PolarHBondContact N-O 3.27Å; R412-F487 PolarHBondContact O-N 2.97Å; T414-F487 HydrophobicContact CG2-CE2 3.96Å; K421-F487 HydrophobicContact CD-CD2 4.27Å; K421-F487 HydrophobicContact CD-CE2 4.3Å; K421-F487 HydrophobicContact CG-CD2 4.34Å; K421-F487 HydrophobicContact CG-CE2 4.15Å; Y471-F487 CarbonylContact O-C 3.5Å; Y471-F487 WeakPolarHBondContact O-CA 3.5Å; E485-F487 HydrophobicContact CB-CE2 3.98Å; E485-F487 HydrophobicContact CB-CZ 4.26Å; E485-F487 HydrophobicContact CG-CD2 4.46Å; E485-F487 HydrophobicContact CG-CE1 4.22Å; E485-F487 HydrophobicContact CG-CE2 3.75Å; E485-F487 HydrophobicContact CG-CZ 3.62Å; E485-F487 WeakPolarHBondContact OE1-CZ 3.29Å; E485-F487 WeakPolarHBondContact OE2-CZ 3.48Å |
| 488 | F | 90.4 | Very high | 86.1 | Confident | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 151.6 | -174.6 | -54.3 | -82.2 | 0 | 0 | 0 | 110.2 | V411 W469 Y471 F473 F486 T490 L493 K494 W497 | V411-F488 HydrophobicContact CB-CE1 4.46Å; V411-F488 HydrophobicContact CG1-CD1 3.87Å; V411-F488 HydrophobicContact CG1-CE1 3.51Å; V411-F488 HydrophobicContact CG1-CZ 4.49Å; W469-F488 VanDerWaalsContact CA-O 3.22Å; W469-F488 WeakPolarHBondContact CA-O 2.93Å; W469-F488 PolarHBondContact N-O 3.39Å; Y471-F488 WeakPolarHBondContact O-CD2 3.49Å; Y471-F488 PolarHBondContact O-N 3.21Å; F473-F488 AromaticContact CD1-CE2 3.6Å; F473-F488 HydrophobicContact CD1-CE2 3.6Å; F473-F488 HydrophobicContact CD1-CZ 4.22Å; F473-F488 HydrophobicContact CE1-CD2 4.44Å; F473-F488 AromaticContact CE1-CE2 3.27Å; F473-F488 HydrophobicContact CE1-CE2 3.27Å; F473-F488 AromaticContact CE1-CZ 3.43Å; F473-F488 HydrophobicContact CE1-CZ 3.43Å; F473-F488 VanDerWaalsContact CE1-CZ 3.43Å; F473-F488 HydrophobicContact CZ-CE2 4.07Å; F473-F488 AromaticContact CZ-CZ 3.86Å; F473-F488 HydrophobicContact CZ-CZ 3.86Å; F486-F488 HydrophobicContact CB-CE2 3.73Å; F486-F488 HydrophobicContact CB-CZ 3.6Å; F486-F488 HydrophobicContact CG-CZ 4.44Å; F488-T490 VanDerWaalsContact C-N 3.33Å; F488-T490 PolarHBondContact O-N 2.85Å; F488-L493 HydrophobicContact CB-CB 4.14Å; F488-K494 HydrophobicContact CB-CB 4.22Å; F488-K494 HydrophobicContact CD2-CB 3.79Å; F488-K494 HydrophobicContact CD2-CG 4.14Å; F488-K494 HydrophobicContact CG-CB 4.25Å; F488-W497 HydrophobicContact CD1-CB 4.22Å; F488-W497 AromaticContact CD1-CD1 3.34Å; F488-W497 AromaticContact CD1-CG 3.88Å; F488-W497 HydrophobicContact CD1-CG 3.88Å; F488-W497 AromaticContact CD1-NE1 3.96Å; F488-W497 HydrophobicContact CE1-CB 3.53Å; F488-W497 AromaticContact CE1-CD1 3.2Å; F488-W497 AromaticContact CE1-CD2 3.98Å; F488-W497 HydrophobicContact CE1-CD2 3.98Å; F488-W497 AromaticContact CE1-CG 3.27Å; F488-W497 HydrophobicContact CE1-CG 3.27Å; F488-W497 AromaticContact CE1-NE1 3.82Å; F488-W497 HydrophobicContact CE2-CB 4.39Å; F488-W497 HydrophobicContact CZ-CB 3.63Å; F488-W497 AromaticContact CZ-CG 3.89Å; F488-W497 HydrophobicContact CZ-CG 3.89Å |
| 489 | K | 87.6 | Confident | 86.2 | Confident | 26 Ų | 26 | 54.5 Ų | 54.5 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -60.6 | -43 | -176.1 | -164 | 178 | -178.8 | -159.3 | 0 | 111.3 | E146 D150 K468 W469 L493 | E146-K489 IonicContact OE1-NZ 2.83Å; E146-K489 PolarHBondContact OE1-NZ 3.38Å; D150-K489 IonicContact OD1-NZ 3.96Å; D150-K489 PolarHBondContact OD1-NZ 2.77Å; D150-K489 WeakPolarHBondContact OD2-CD 3.37Å; D150-K489 WeakPolarHBondContact OD2-CE 3.13Å; D150-K489 IonicContact OD2-NZ 3.59Å; D150-K489 PolarHBondContact OD2-NZ 3.3Å; K468-K489 VanDerWaalsContact CA-O 3.26Å; K468-K489 WeakPolarHBondContact CA-O 3.31Å; K468-K489 HydrophobicContact CB-CG 4.33Å; K468-K489 HydrophobicContact CD-CG 4.19Å; K468-K489 HydrophobicContact CG-CG 4.36Å; W469-K489 HydrophobicContact CD2-CB 4.31Å; W469-K489 HydrophobicContact CH2-CB 4.37Å; W469-K489 HydrophobicContact CZ2-CB 4.09Å; W469-K489 HydrophobicContact CZ2-CD 4.41Å; W469-K489 HydrophobicContact CZ2-CG 4.27Å; W469-K489 PolarHBondContact N-O 3.29Å; K489-L493 HydrophobicContact CB-CD1 4Å |
| 490 | T | 85.3 | Confident | 86.5 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -129.8 | 166.7 | -179.7 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | D150 F488 E492 L493 K494 | D150-T490 HydrophobicContact CB-CG2 3.39Å; D150-T490 WeakPolarHBondContact O-CB 3.45Å; D150-T490 PolarHBondContact O-OG1 3.22Å; F488-T490 VanDerWaalsContact C-N 3.33Å; F488-T490 PolarHBondContact O-N 2.85Å; T490-E492 VanDerWaalsContact C-N 3.28Å; T490-E492 PolarHBondContact O-N 2.75Å; T490-L493 PolarHBondContact O-N 2.75Å; T490-L493 WeakPolarHBondContact OG1-CG 3.35Å; T490-L493 PolarHBondContact OG1-N 2.95Å; T490-K494 PolarHBondContact O-N 3.41Å |
| 491 | K | 84.7 | Confident | 87.4 | Confident | 126 Ų | 126 | 44.9 Ų | 44.9 | 55% | 0.548 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.1 | -34.9 | 177.9 | -176.2 | -176.9 | 177.1 | -173.9 | 0 | 111.4 | Y471 K494 K495 | Y471-K491 HydrophobicContact CD1-CB 3.96Å; Y471-K491 HydrophobicContact CD1-CG 4.46Å; Y471-K491 HydrophobicContact CE1-CB 3.96Å; Y471-K491 HydrophobicContact CG-CB 4.32Å; K491-K494 WeakPolarHBondContact O-CB 3.37Å; K491-K494 PolarHBondContact O-N 3.05Å; K491-K495 PolarHBondContact O-N 3.4Å |
| 492 | E | 82.1 | Confident | 88.2 | Confident | 77 Ų | 77 | 40.7 Ų | 40.7 | 36% | 0.36 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71 | -41.6 | -179.6 | -67.6 | 71.3 | -142.3 | 0 | 0 | 110.7 | E151 T490 K495 K496 | E151-E492 VanDerWaalsContact O-CG 3.27Å; E151-E492 WeakPolarHBondContact O-CG 3.32Å; T490-E492 VanDerWaalsContact C-N 3.28Å; T490-E492 PolarHBondContact O-N 2.75Å; E492-K495 WeakPolarHBondContact O-CB 3.17Å; E492-K495 PolarHBondContact O-N 2.98Å; E492-K496 PolarHBondContact O-N 2.97Å |
| 493 | L | 85.3 | Confident | 88.8 | Confident | 58 Ų | 58 | 39 Ų | 39 | 30% | 0.304 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.4 | -43.1 | 170.4 | -73.1 | 175.1 | 0 | 0 | 0 | 111.9 | F488 K489 T490 K495 K496 W497 | F488-L493 HydrophobicContact CB-CB 4.14Å; K489-L493 HydrophobicContact CB-CD1 4Å; T490-L493 PolarHBondContact O-N 2.75Å; T490-L493 WeakPolarHBondContact OG1-CG 3.35Å; T490-L493 PolarHBondContact OG1-N 2.95Å; L493-K495 VanDerWaalsContact C-N 3.31Å; L493-K495 PolarHBondContact O-N 2.73Å; L493-K496 PolarHBondContact O-N 3.36Å; L493-W497 WeakPolarHBondContact O-CB 3.32Å; L493-W497 VanDerWaalsContact O-CD1 3.27Å; L493-W497 PolarHBondContact O-N 3.19Å |
| 494 | K | 89 | Confident | 89.1 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.6 | -47.5 | 172.5 | 172.6 | -173.4 | 169.8 | 168.9 | 0 | 110.6 | N458 D463 G472 F473 F488 T490 K491 W497 L498 | N458-K494 WeakPolarHBondContact OD1-CE 2.75Å; N458-K494 PolarHBondContact OD1-NZ 3.32Å; D463-K494 IonicContact OD1-NZ 2.95Å; D463-K494 PolarHBondContact OD1-NZ 3.15Å; D463-K494 IonicContact OD2-NZ 3.55Å; D463-K494 PolarHBondContact OD2-NZ 2.81Å; G472-K494 WeakPolarHBondContact O-CE 3.21Å; G472-K494 PolarHBondContact O-NZ 2.9Å; F473-K494 HydrophobicContact CD1-CG 4.44Å; F488-K494 HydrophobicContact CB-CB 4.22Å; F488-K494 HydrophobicContact CD2-CB 3.79Å; F488-K494 HydrophobicContact CD2-CG 4.14Å; F488-K494 HydrophobicContact CG-CB 4.25Å; T490-K494 PolarHBondContact O-N 3.41Å; K491-K494 WeakPolarHBondContact O-CB 3.37Å; K491-K494 PolarHBondContact O-N 3.05Å; K494-W497 PolarHBondContact O-N 3.34Å; K494-L498 WeakPolarHBondContact O-CB 3.5Å; K494-L498 PolarHBondContact O-N 3.27Å |
| 495 | K | 86.8 | Confident | 89.2 | Confident | 131 Ų | 131 | 39.2 Ų | 39.2 | 57% | 0.57 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -60.4 | -50 | 179.5 | -177.4 | -175.3 | 171.8 | -169.3 | 0 | 111.2 | K491 E492 L493 W497 L498 E499 | K491-K495 PolarHBondContact O-N 3.4Å; E492-K495 WeakPolarHBondContact O-CB 3.17Å; E492-K495 PolarHBondContact O-N 2.98Å; L493-K495 VanDerWaalsContact C-N 3.31Å; L493-K495 PolarHBondContact O-N 2.73Å; K495-W497 PolarHBondContact O-N 3.45Å; K495-L498 PolarHBondContact O-N 3.48Å; K495-E499 WeakPolarHBondContact CE-OE1 3.29Å; K495-E499 WeakPolarHBondContact O-CG 3.47Å; K495-E499 PolarHBondContact O-N 2.85Å |
| 496 | K | 84.7 | Confident | 89.3 | Confident | 83 Ų | 83 | 40.1 Ų | 40.1 | 36% | 0.361 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57 | -50.2 | 178 | -175.4 | 178.8 | -179.1 | 179.8 | 0 | 111.4 | E492 L493 L498 E499 Q500 | E492-K496 PolarHBondContact O-N 2.97Å; L493-K496 PolarHBondContact O-N 3.36Å; K496-L498 PolarHBondContact O-N 3Å; K496-E499 PolarHBondContact O-N 3.49Å; K496-Q500 WeakPolarHBondContact O-CG 3.39Å; K496-Q500 PolarHBondContact O-N 3.43Å |
| 497 | W | 90.9 | Very high | 89.3 | Confident | 21 Ų | 21 | 41.1 Ų | 41.1 | 8% | 0.08 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 178 | -83.4 | 107.6 | 0 | 0 | 0 | 112.1 | I426 L428 F473 F488 L493 K494 K495 E499 Q500 F501 | I426-W497 HydrophobicContact CD1-CD2 4.33Å; I426-W497 HydrophobicContact CD1-CE3 3.95Å; I426-W497 HydrophobicContact CD1-CH2 3.56Å; I426-W497 HydrophobicContact CD1-CZ2 3.96Å; I426-W497 HydrophobicContact CD1-CZ3 3.56Å; I426-W497 HydrophobicContact CG1-CH2 3.61Å; I426-W497 HydrophobicContact CG1-CZ2 3.93Å; I426-W497 HydrophobicContact CG1-CZ3 4.13Å; L428-W497 HydrophobicContact CB-CH2 4.35Å; L428-W497 HydrophobicContact CB-CZ3 3.63Å; L428-W497 HydrophobicContact CD2-CE3 4.06Å; L428-W497 HydrophobicContact CD2-CZ3 3.82Å; L428-W497 HydrophobicContact CG-CZ3 4.38Å; F473-W497 HydrophobicContact CE1-CB 4.25Å; F488-W497 HydrophobicContact CD1-CB 4.22Å; F488-W497 AromaticContact CD1-CD1 3.34Å; F488-W497 AromaticContact CD1-CG 3.88Å; F488-W497 HydrophobicContact CD1-CG 3.88Å; F488-W497 AromaticContact CD1-NE1 3.96Å; F488-W497 HydrophobicContact CE1-CB 3.53Å; F488-W497 AromaticContact CE1-CD1 3.2Å; F488-W497 AromaticContact CE1-CD2 3.98Å; F488-W497 HydrophobicContact CE1-CD2 3.98Å; F488-W497 AromaticContact CE1-CG 3.27Å; F488-W497 HydrophobicContact CE1-CG 3.27Å; F488-W497 AromaticContact CE1-NE1 3.82Å; F488-W497 HydrophobicContact CE2-CB 4.39Å; F488-W497 HydrophobicContact CZ-CB 3.63Å; F488-W497 AromaticContact CZ-CG 3.89Å; F488-W497 HydrophobicContact CZ-CG 3.89Å; L493-W497 WeakPolarHBondContact O-CB 3.32Å; L493-W497 VanDerWaalsContact O-CD1 3.27Å; L493-W497 PolarHBondContact O-N 3.19Å; K494-W497 PolarHBondContact O-N 3.34Å; K495-W497 PolarHBondContact O-N 3.45Å; W497-E499 VanDerWaalsContact C-N 3.28Å; W497-E499 PolarHBondContact O-N 2.89Å; W497-Q500 PolarHBondContact O-N 2.93Å; W497-F501 HydrophobicContact CB-CD2 4.49Å; W497-F501 HydrophobicContact CD2-CE2 4.5Å; W497-F501 AromaticContact CE3-CD2 3.9Å; W497-F501 HydrophobicContact CE3-CD2 3.9Å; W497-F501 AromaticContact CE3-CE2 3.61Å; W497-F501 HydrophobicContact CE3-CE2 3.61Å; W497-F501 HydrophobicContact CZ3-CE2 4.13Å; W497-F501 WeakPolarHBondContact O-CB 2.88Å; W497-F501 VanDerWaalsContact O-CD2 3.26Å; W497-F501 WeakPolarHBondContact O-CD2 3.19Å; W497-F501 PolarHBondContact O-N 3.29Å |
| 498 | L | 90.8 | Very high | 89.4 | Confident | 50 Ų | 50 | 41.3 Ų | 41.3 | 26% | 0.262 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.5 | -40.8 | 177.3 | -170.1 | 72.7 | 0 | 0 | 0 | 112 | I456 F473 K494 K495 K496 G502 | I456-L498 HydrophobicContact CG2-CD1 3.49Å; I456-L498 VanDerWaalsContact CG2-CD1 3.49Å; F473-L498 HydrophobicContact CB-CD1 4.18Å; F473-L498 HydrophobicContact CD1-CB 4.34Å; F473-L498 HydrophobicContact CD1-CD1 3.72Å; F473-L498 HydrophobicContact CD2-CD1 4.33Å; F473-L498 HydrophobicContact CE1-CB 4.29Å; F473-L498 HydrophobicContact CE1-CD1 4.15Å; F473-L498 HydrophobicContact CG-CD1 3.83Å; K494-L498 WeakPolarHBondContact O-CB 3.5Å; K494-L498 PolarHBondContact O-N 3.27Å; K495-L498 PolarHBondContact O-N 3.48Å; K496-L498 PolarHBondContact O-N 3Å; L498-G502 PolarHBondContact O-N 3.48Å |
| 499 | E | 89.1 | Confident | 89.4 | Confident | 86 Ų | 86 | 45.9 Ų | 45.9 | 40% | 0.402 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.3 | -48.1 | 174.1 | -71.9 | 169.8 | -174.5 | 0 | 0 | 111.6 | K495 K496 W497 F501 G502 M503 | K495-E499 WeakPolarHBondContact CE-OE1 3.29Å; K495-E499 WeakPolarHBondContact O-CG 3.47Å; K495-E499 PolarHBondContact O-N 2.85Å; K496-E499 PolarHBondContact O-N 3.49Å; W497-E499 VanDerWaalsContact C-N 3.28Å; W497-E499 PolarHBondContact O-N 2.89Å; E499-F501 PolarHBondContact O-N 2.87Å; E499-G502 PolarHBondContact O-N 3.16Å; E499-G502 VanDerWaalsContact O-N 3.16Å; E499-M503 WeakPolarHBondContact O-CG 3Å; E499-M503 PolarHBondContact O-N 2.87Å |
| 500 | Q | 89.6 | Confident | 89.6 | Confident | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 178.8 | -66.3 | -52.4 | -35.7 | 0 | 0 | 112.7 | K406 L428 K496 W497 G502 M503 A504 | K406-Q500 HydrophobicContact CB-CB 4.18Å; K406-Q500 PolarHBondContact O-OE1 3.47Å; L428-Q500 HydrophobicContact CD2-CB 3.71Å; K496-Q500 WeakPolarHBondContact O-CG 3.39Å; K496-Q500 PolarHBondContact O-N 3.43Å; W497-Q500 PolarHBondContact O-N 2.93Å; Q500-G502 VanDerWaalsContact C-N 3.32Å; Q500-G502 PolarHBondContact O-N 2.92Å; Q500-M503 PolarHBondContact O-N 2.92Å; Q500-A504 WeakPolarHBondContact O-CB 3.44Å; Q500-A504 PolarHBondContact O-N 2.88Å |
| 501 | F | 94.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 173.9 | -90.5 | -88.2 | 0 | 0 | 0 | 111.3 | I426 L428 V433 L451 I456 F473 L475 F486 W497 E499 A504 I505 | I426-F501 HydrophobicContact CD1-CE2 4.13Å; I426-F501 HydrophobicContact CD1-CZ 4.26Å; L428-F501 HydrophobicContact CD1-CD1 3.95Å; L428-F501 HydrophobicContact CD1-CD2 4.47Å; L428-F501 HydrophobicContact CD1-CE1 3.78Å; L428-F501 HydrophobicContact CD1-CE2 4.33Å; L428-F501 HydrophobicContact CD1-CG 4.31Å; L428-F501 HydrophobicContact CD1-CZ 3.99Å; L428-F501 HydrophobicContact CD2-CD1 4.49Å; L428-F501 HydrophobicContact CD2-CD2 3.76Å; L428-F501 HydrophobicContact CD2-CE2 4.02Å; L428-F501 HydrophobicContact CD2-CG 4.03Å; L428-F501 HydrophobicContact CD2-CZ 4.5Å; V433-F501 HydrophobicContact CG1-CZ 4.3Å; V433-F501 HydrophobicContact CG2-CE1 3.43Å; V433-F501 VanDerWaalsContact CG2-CE1 3.43Å; V433-F501 HydrophobicContact CG2-CZ 3.73Å; L451-F501 HydrophobicContact CD2-CD1 4.26Å; L451-F501 HydrophobicContact CD2-CE1 4.14Å; I456-F501 HydrophobicContact CD1-CB 3.61Å; I456-F501 HydrophobicContact CG1-CB 4.32Å; F473-F501 HydrophobicContact CE2-CD2 4.3Å; F473-F501 HydrophobicContact CE2-CG 4.31Å; F473-F501 HydrophobicContact CZ-CB 4.46Å; F473-F501 AromaticContact CZ-CD2 3.59Å; F473-F501 HydrophobicContact CZ-CD2 3.59Å; F473-F501 AromaticContact CZ-CE2 3.87Å; F473-F501 HydrophobicContact CZ-CE2 3.87Å; F473-F501 AromaticContact CZ-CG 3.99Å; F473-F501 HydrophobicContact CZ-CG 3.99Å; F473-F501 HydrophobicContact CZ-CZ 4.49Å; L475-F501 HydrophobicContact CD1-CD1 4.27Å; L475-F501 HydrophobicContact CD1-CE1 3.6Å; L475-F501 HydrophobicContact CD1-CZ 4.34Å; L475-F501 HydrophobicContact CD2-CD1 4.1Å; L475-F501 HydrophobicContact CD2-CE1 4.25Å; L475-F501 HydrophobicContact CG-CE1 4.39Å; F486-F501 HydrophobicContact CZ-CZ 4.48Å; W497-F501 HydrophobicContact CB-CD2 4.49Å; W497-F501 HydrophobicContact CD2-CE2 4.5Å; W497-F501 AromaticContact CE3-CD2 3.9Å; W497-F501 HydrophobicContact CE3-CD2 3.9Å; W497-F501 AromaticContact CE3-CE2 3.61Å; W497-F501 HydrophobicContact CE3-CE2 3.61Å; W497-F501 HydrophobicContact CZ3-CE2 4.13Å; W497-F501 WeakPolarHBondContact O-CB 2.88Å; W497-F501 VanDerWaalsContact O-CD2 3.26Å; W497-F501 WeakPolarHBondContact O-CD2 3.19Å; W497-F501 PolarHBondContact O-N 3.29Å; E499-F501 PolarHBondContact O-N 2.87Å; F501-A504 PolarHBondContact O-N 3.17Å; F501-I505 WeakPolarHBondContact O-CG1 3.07Å; F501-I505 PolarHBondContact O-N 3.4Å |
| 502 | G | 91.8 | Very high | 89.8 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 32% | 0.32 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -43 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L498 E499 Q500 I505 S506 | L498-G502 PolarHBondContact O-N 3.48Å; E499-G502 PolarHBondContact O-N 3.16Å; E499-G502 VanDerWaalsContact O-N 3.16Å; Q500-G502 VanDerWaalsContact C-N 3.32Å; Q500-G502 PolarHBondContact O-N 2.92Å; G502-I505 PolarHBondContact O-N 2.86Å; G502-S506 VanDerWaalsContact O-CB 3.3Å; G502-S506 WeakPolarHBondContact O-CB 3.5Å; G502-S506 PolarHBondContact O-N 2.84Å |
| 503 | M | 90.2 | Very high | 89.9 | Confident | 34 Ų | 34 | 46.4 Ų | 46.4 | 17% | 0.167 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -44.5 | 176.4 | -71 | 161.2 | 61.8 | 0 | 0 | 112.2 | E499 Q500 S506 N507 D819 T820 | E499-M503 WeakPolarHBondContact O-CG 3Å; E499-M503 PolarHBondContact O-N 2.87Å; Q500-M503 PolarHBondContact O-N 2.92Å; M503-S506 PolarHBondContact O-N 3.03Å; M503-N507 PolarHBondContact O-N 3.18Å; M503-N507 PolarHBondContact O-ND2 2.76Å; M503-D819 VanDerWaalsContact CE-C 3.44Å; M503-T820 HydrophobicContact CE-CG2 4.21Å; M503-T820 HydrophobicContact SD-CG2 3.6Å |
| 504 | A | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.4 | -51.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | K406 L428 D430 L451 Q500 F501 S506 N507 I508 | K406-A504 HydrophobicContact CG-CB 4.28Å; L428-A504 HydrophobicContact CD1-CB 4.41Å; D430-A504 CarbonylContact O-C 3.18Å; D430-A504 WeakPolarHBondContact O-CB 3.25Å; L451-A504 HydrophobicContact CD1-CB 4Å; Q500-A504 WeakPolarHBondContact O-CB 3.44Å; Q500-A504 PolarHBondContact O-N 2.88Å; F501-A504 PolarHBondContact O-N 3.17Å; A504-S506 VanDerWaalsContact C-N 3.33Å; A504-S506 PolarHBondContact O-N 2.76Å; A504-N507 WeakPolarHBondContact O-CB 3.45Å; A504-N507 PolarHBondContact O-N 2.77Å; A504-I508 WeakPolarHBondContact O-CG1 3.49Å; A504-I508 PolarHBondContact O-N 2.8Å |
| 505 | I | 92.5 | Very high | 89.9 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 178.2 | -67.2 | -178.4 | 0 | 0 | 0 | 112 | I456 F501 G502 N507 I508 R509 | I456-I505 HydrophobicContact CD1-CD1 3.55Å; I456-I505 HydrophobicContact CD1-CG1 4.44Å; I456-I505 HydrophobicContact CG1-CD1 3.57Å; F501-I505 WeakPolarHBondContact O-CG1 3.07Å; F501-I505 PolarHBondContact O-N 3.4Å; G502-I505 PolarHBondContact O-N 2.86Å; I505-N507 PolarHBondContact O-N 2.81Å; I505-I508 PolarHBondContact O-N 2.76Å; I505-R509 PolarHBondContact O-N 3.03Å |
| 506 | S | 92.8 | Very high | 89.9 | Confident | 46 Ų | 46 | 48.4 Ų | 48.4 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.7 | -27.7 | 174.6 | 178.4 | 0 | 0 | 0 | 0 | 112.5 | G502 M503 A504 R509 P510 K557 | G502-S506 VanDerWaalsContact O-CB 3.3Å; G502-S506 WeakPolarHBondContact O-CB 3.5Å; G502-S506 PolarHBondContact O-N 2.84Å; M503-S506 PolarHBondContact O-N 3.03Å; A504-S506 VanDerWaalsContact C-N 3.33Å; A504-S506 PolarHBondContact O-N 2.76Å; S506-R509 CarbonylContact O-C 3.49Å; S506-P510 WeakPolarHBondContact O-CA 3.22Å; S506-P510 WeakPolarHBondContact O-CB 3.48Å; S506-P510 VanDerWaalsContact O-N 3.13Å; S506-K557 VanDerWaalsContact O-CE 3.23Å; S506-K557 WeakPolarHBondContact O-CE 3.5Å; S506-K557 PolarHBondContact O-NZ 2.75Å; S506-K557 PolarHBondContact OG-NZ 3.02Å |
| 507 | N | 93.2 | Very high | 90.1 | Very high | 20 Ų | 20 | 51.7 Ų | 51.7 | 11% | 0.107 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -78 | -39.4 | 173.8 | -69.4 | -21.2 | 0 | 0 | 0 | 111.8 | K406 D430 M503 A504 I505 M522 Y546 K557 | K406-N507 PolarHBondContact NZ-ND2 2.67Å; D430-N507 PolarHBondContact OD1-ND2 2.67Å; M503-N507 PolarHBondContact O-N 3.18Å; M503-N507 PolarHBondContact O-ND2 2.76Å; A504-N507 WeakPolarHBondContact O-CB 3.45Å; A504-N507 PolarHBondContact O-N 2.77Å; I505-N507 PolarHBondContact O-N 2.81Å; N507-M522 VanDerWaalsContact C-SD 3.56Å; N507-M522 HydrophobicContact CB-CE 4.37Å; N507-M522 HydrophobicContact CB-SD 3.81Å; N507-M522 VanDerWaalsContact O-CG 3.24Å; N507-M522 WeakPolarHBondContact O-CG 3.46Å; N507-M522 VanDerWaalsContact O-SD 3.38Å; N507-Y546 WeakPolarHBondContact CA-OH 3.17Å; N507-Y546 VanDerWaalsContact O-CE1 3.22Å; N507-Y546 WeakPolarHBondContact O-CE1 3.49Å; N507-Y546 PolarHBondContact O-OH 2.89Å; N507-K557 PolarHBondContact OD1-NZ 3.19Å |
| 508 | I | 93.2 | Very high | 90 | Very high | 18 Ų | 18 | 51 Ų | 51 | 9% | 0.092 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 174.6 | -57 | 170.5 | 0 | 0 | 0 | 111.2 | D430 L451 H452 A504 I505 P510 | D430-I508 WeakPolarHBondContact O-CD1 3.08Å; D430-I508 VanDerWaalsContact O-CG1 3.22Å; D430-I508 WeakPolarHBondContact O-CG1 3.17Å; L451-I508 HydrophobicContact CB-CD1 3.39Å; H452-I508 WeakPolarHBondContact CD2-CG2 3.5Å; H452-I508 WeakPolarHBondContact NE2-CG2 3.5Å; A504-I508 WeakPolarHBondContact O-CG1 3.49Å; A504-I508 PolarHBondContact O-N 2.8Å; I505-I508 PolarHBondContact O-N 2.76Å; I508-P510 WeakPolarHBondContact O-CD 3.42Å |
| 509 | R | 90.1 | Very high | 90.1 | Very high | 96 Ų | 96 | 51.5 Ų | 51.5 | 36% | 0.362 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -125.5 | 72.3 | -174.9 | -56 | -173.9 | -165 | 133.7 | 9.3 | 109.3 | L451 H452 F454 N478 I505 S506 | L451-R509 PolarHBondContact O-NH2 3.01Å; H452-R509 PolarHBondContact O-NH2 3.22Å; F454-R509 PolarHBondContact O-NH1 2.77Å; F454-R509 PolarHBondContact O-NH2 2.81Å; N478-R509 PolarHBondContact ND2-NH2 3.31Å; I505-R509 PolarHBondContact O-N 3.03Å; S506-R509 CarbonylContact O-C 3.49Å |
| 510 | P | 91.1 | Very high | 90.4 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | trans | -68.7 | 156.8 | 179.3 | 31.6 | -36.5 | 0 | 0 | 0 | 110.7 | S506 I508 N512 A513 Y546 K557 L560 | S506-P510 WeakPolarHBondContact O-CA 3.22Å; S506-P510 WeakPolarHBondContact O-CB 3.48Å; S506-P510 VanDerWaalsContact O-N 3.13Å; I508-P510 WeakPolarHBondContact O-CD 3.42Å; P510-N512 PolarHBondContact O-N 2.74Å; P510-A513 HydrophobicContact CG-CB 3.78Å; P510-A513 WeakPolarHBondContact O-CB 3.39Å; P510-A513 PolarHBondContact O-N 2.95Å; P510-Y546 HydrophobicContact CB-CE1 4.29Å; P510-Y546 HydrophobicContact CG-CD1 3.97Å; P510-Y546 HydrophobicContact CG-CE1 3.46Å; P510-Y546 VanDerWaalsContact CG-CE1 3.46Å; P510-K557 HydrophobicContact CB-CD 4.45Å; P510-K557 HydrophobicContact CB-CG 3.86Å; P510-L560 HydrophobicContact CB-CD1 3.8Å; P510-L560 HydrophobicContact CG-CD1 3.35Å | ||
| 511 | E | 85.2 | Confident | 90.6 | Very high | 161 Ų | 161 | 53.9 Ų | 53.9 | 75% | 0.752 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 139.8 | 170.3 | -66 | -175.6 | -179.7 | 0 | 0 | 109.4 | A513 | E511-A513 PolarHBondContact O-N 3.48Š|
| 512 | N | 89.3 | Confident | 90.7 | Very high | 68 Ų | 68 | 55.8 Ų | 55.8 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 9.6 | -179.6 | -45.1 | -52.9 | 0 | 0 | 0 | 116.3 | P510 T514 N515 L560 | P510-N512 PolarHBondContact O-N 2.74Å; N512-T514 PolarHBondContact O-N 3.36Å; N512-T514 VanDerWaalsContact O-N 3.09Å; N512-N515 HydrophobicContact CB-CB 4.02Å; N512-N515 WeakPolarHBondContact CB-ND2 3.31Å; N512-N515 VanDerWaalsContact CG-ND2 3.28Å; N512-N515 WeakPolarHBondContact O-CB 3.45Å; N512-N515 PolarHBondContact O-N 2.73Å; N512-N515 PolarHBondContact OD1-ND2 3.09Å; N512-L560 HydrophobicContact CB-CB 4.2Å |
| 513 | A | 85.7 | Confident | 90.8 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -32.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | P510 E511 H518 F520 | P510-A513 HydrophobicContact CG-CB 3.78Å; P510-A513 WeakPolarHBondContact O-CB 3.39Å; P510-A513 PolarHBondContact O-N 2.95Å; E511-A513 PolarHBondContact O-N 3.48Å; A513-H518 CarbonylContact O-C 3.54Å; A513-F520 HydrophobicContact CB-CB 4.46Å; A513-F520 WeakPolarHBondContact O-CD2 3.46Å; A513-F520 PolarHBondContact O-N 2.84Å; A513-F520 VanDerWaalsContact O-N 3.08Å |
| 514 | T | 87.8 | Confident | 91 | Very high | 105 Ų | 105 | 58.2 Ų | 58.2 | 64% | 0.644 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | 7.6 | -179.4 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | N512 F517 H518 | N512-T514 PolarHBondContact O-N 3.36Å; N512-T514 VanDerWaalsContact O-N 3.09Å; T514-F517 PolarHBondContact O-N 2.81Å; T514-H518 WeakPolarHBondContact CA-O 3.48Å |
| 515 | N | 85.8 | Confident | 90.8 | Very high | 64 Ų | 64 | 59.2 Ų | 59.2 | 34% | 0.342 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -60.9 | 146.6 | 177.8 | -85.1 | 13.7 | 0 | 0 | 0 | 110.2 | N512 F517 H518 | N512-N515 HydrophobicContact CB-CB 4.02Å; N512-N515 WeakPolarHBondContact CB-ND2 3.31Å; N512-N515 VanDerWaalsContact CG-ND2 3.28Å; N512-N515 WeakPolarHBondContact O-CB 3.45Å; N512-N515 PolarHBondContact O-N 2.73Å; N512-N515 PolarHBondContact OD1-ND2 3.09Å; N515-F517 PolarHBondContact O-N 2.95Å; N515-H518 PolarHBondContact O-CD2 3.17Å; N515-H518 PolarHBondContact O-N 3.44Å; N515-H518 VanDerWaalsContact O-N 3.09Å |
| 516 | N | 86.1 | Confident | 90.3 | Very high | 71 Ų | 71 | 67.3 Ų | 67.3 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | 51.8 | 35.2 | 177.5 | -60.4 | -38.1 | 0 | 0 | 0 | 112.8 | H518 F563 G564 C565 C566 | N516-H518 PolarHBondContact O-N 3.1Å; N516-F563 PolarHBondContact ND2-O 3.18Å; N516-G564 WeakPolarHBondContact CB-O 3.21Å; N516-C565 CarbonylContact O-C 3.4Å; N516-C565 WeakPolarHBondContact O-CA 3.21Å; N516-C566 PolarHBondContact O-N 2.9Å |
| 517 | F | 88.8 | Confident | 89.7 | Confident | 153 Ų | 153 | 75 Ų | 75 | 67% | 0.671 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | 68.1 | 9.3 | 177.9 | -50.4 | -81.4 | 0 | 0 | 0 | 116.3 | T514 N515 K550 C566 | T514-F517 PolarHBondContact O-N 2.81Å; N515-F517 PolarHBondContact O-N 2.95Å; F517-K550 WeakPolarHBondContact O-CD 3.48Å; F517-K550 PolarHBondContact O-NZ 3.13Å; F517-C566 VanDerWaalsContact C-CB 3.45Å; F517-C566 HydrophobicContact CB-CB 4.17Å; F517-C566 WeakPolarHBondContact O-CB 3.37Å |
| 518 | H | 89.8 | Confident | 89.3 | Confident | 5 Ų | 5 | 78.5 Ų | 78.5 | 2% | 0.023 | 37% | 0.367 | C | S | . | . | trans | -66.4 | 167.9 | 172.6 | -71.8 | -76.1 | 0 | 0 | 0 | 111.7 | A513 T514 N515 N516 F520 C548 C551 G564 C566 | A513-H518 CarbonylContact O-C 3.54Å; T514-H518 WeakPolarHBondContact CA-O 3.48Å; N515-H518 PolarHBondContact O-CD2 3.17Å; N515-H518 PolarHBondContact O-N 3.44Å; N515-H518 VanDerWaalsContact O-N 3.09Å; N516-H518 PolarHBondContact O-N 3.1Å; H518-F520 HydrophobicContact CB-CD2 3.61Å; H518-F520 HydrophobicContact CB-CE2 3.47Å; H518-F520 VanDerWaalsContact CB-CE2 3.47Å; H518-F520 HydrophobicContact CB-CZ 4.38Å; H518-F520 AromaticContact CG-CE2 3.58Å; H518-C548 PolarHBondContact ND1-SG 3.44Å; H518-C551 PolarHBondContact CE1-SG 2.83Å; H518-C551 PolarHBondContact ND1-SG 3.49Å; H518-C551 VanDerWaalsContact ND1-SG 3.35Å; H518-G564 PolarHBondContact CD2-O 3.28Å; H518-G564 PolarHBondContact NE2-O 3.38Å; H518-C566 HydrophobicContact CB-CB 4.34Å; H518-C566 VanDerWaalsContact CE1-CA 3.43Å; H518-C566 WeakPolarHBondContact CE1-CA 3.17Å; H518-C566 WeakPolarHBondContact ND1-CB 3.5Å; H518-C566 PolarHBondContact ND1-SG 2.91Å; H518-C566 PolarHBondContact NE2-N 2.9Å | ||
| 519 | E | 92.8 | Very high | 88.9 | Confident | 61 Ų | 61 | 79.5 Ų | 79.5 | 29% | 0.285 | 38% | 0.375 | S | S | . | . | trans | -143.4 | 73.1 | 172.7 | -173 | 176.5 | 168.4 | 0 | 0 | 108.4 | R521 C548 S549 K550 | E519-R521 IonicContact OE1-CZ 2.73Å; E519-R521 IonicContact OE1-NE 3.32Å; E519-R521 PolarHBondContact OE1-NE 3.29Å; E519-R521 IonicContact OE1-NH2 2.7Å; E519-R521 PolarHBondContact OE1-NH2 2.98Å; E519-C548 PolarHBondContact N-SG 3.25Å; E519-C548 WeakPolarHBondContact O-CA 3.38Å; E519-S549 WeakPolarHBondContact CB-OG 3.38Å; E519-S549 WeakPolarHBondContact CG-OG 3.31Å; E519-S549 PolarHBondContact O-N 3.31Å; E519-S549 PolarHBondContact O-OG 3.31Å; E519-S549 VanDerWaalsContact O-OG 3.12Å; E519-K550 HydrophobicContact CB-CD 4.21Å; E519-K550 HydrophobicContact CB-CG 4.26Å; E519-K550 VanDerWaalsContact OE2-CE 3.23Å; E519-K550 WeakPolarHBondContact OE2-CE 3.25Å; E519-K550 IonicContact OE2-NZ 2.67Å | ||
| 520 | F | 95 | Very high | 88.7 | Confident | 7 Ų | 7 | 77 Ų | 77 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 129.9 | 178.3 | -74.9 | -74.5 | 0 | 0 | 0 | 110.9 | A513 H518 L547 C548 L553 A555 L560 F563 | A513-F520 HydrophobicContact CB-CB 4.46Å; A513-F520 WeakPolarHBondContact O-CD2 3.46Å; A513-F520 PolarHBondContact O-N 2.84Å; A513-F520 VanDerWaalsContact O-N 3.08Å; H518-F520 HydrophobicContact CB-CD2 3.61Å; H518-F520 HydrophobicContact CB-CE2 3.47Å; H518-F520 VanDerWaalsContact CB-CE2 3.47Å; H518-F520 HydrophobicContact CB-CZ 4.38Å; H518-F520 AromaticContact CG-CE2 3.58Å; F520-L547 WeakPolarHBondContact CA-O 3.44Å; F520-C548 HydrophobicContact CD1-CB 3.73Å; F520-C548 HydrophobicContact CE1-CB 3.62Å; F520-C548 HydrophobicContact CE2-CB 4.49Å; F520-C548 HydrophobicContact CG-CB 4.23Å; F520-C548 HydrophobicContact CZ-CB 4.02Å; F520-L553 HydrophobicContact CE1-CB 4.44Å; F520-L553 WeakPolarHBondContact CE1-O 3.26Å; F520-A555 HydrophobicContact CE1-CB 4.12Å; F520-L560 HydrophobicContact CB-CD1 4.29Å; F520-L560 HydrophobicContact CB-CD2 4.05Å; F520-L560 HydrophobicContact CD1-CD2 3.72Å; F520-L560 HydrophobicContact CD2-CB 4.4Å; F520-L560 HydrophobicContact CD2-CD2 3.81Å; F520-L560 HydrophobicContact CE1-CD2 4.04Å; F520-L560 HydrophobicContact CE2-CD2 4.12Å; F520-L560 HydrophobicContact CG-CD2 3.6Å; F520-L560 HydrophobicContact CZ-CD2 4.24Å; F520-F563 HydrophobicContact CE1-CE2 4.46Å; F520-F563 AromaticContact CE2-CD2 3.97Å; F520-F563 HydrophobicContact CE2-CD2 3.97Å; F520-F563 HydrophobicContact CE2-CE2 4.47Å; F520-F563 AromaticContact CZ-CD2 3.62Å; F520-F563 HydrophobicContact CZ-CD2 3.62Å; F520-F563 AromaticContact CZ-CE2 3.8Å; F520-F563 HydrophobicContact CZ-CE2 3.8Å; F520-F563 HydrophobicContact CZ-CG 4.24Å |
| 521 | R | 94.3 | Very high | 88.6 | Confident | 146 Ų | 146 | 76.7 Ų | 76.7 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 145.9 | 176.2 | -60.7 | -175.8 | -178.4 | -168.5 | -1.5 | 109.3 | E519 H523 Y546 L547 | E519-R521 IonicContact OE1-CZ 2.73Å; E519-R521 IonicContact OE1-NE 3.32Å; E519-R521 PolarHBondContact OE1-NE 3.29Å; E519-R521 IonicContact OE1-NH2 2.7Å; E519-R521 PolarHBondContact OE1-NH2 2.98Å; R521-H523 PolarHBondContact O-N 2.91Å; R521-Y546 CarbonylContact O-C 3.53Å; R521-Y546 VanDerWaalsContact O-CA 3.22Å; R521-Y546 WeakPolarHBondContact O-CA 3.36Å; R521-L547 PolarHBondContact N-O 3.09Å; R521-L547 PolarHBondContact O-N 2.84Å |
| 522 | M | 95.4 | Very high | 88.9 | Confident | 40 Ų | 40 | 72.6 Ų | 72.6 | 20% | 0.197 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.6 | 133.2 | 173.8 | -70.1 | -178.9 | 64.3 | 0 | 0 | 109.9 | D430 N507 Y543 Y546 | D430-M522 HydrophobicContact CB-CE 3.85Å; D430-M522 HydrophobicContact CB-SD 4.15Å; N507-M522 VanDerWaalsContact C-SD 3.56Å; N507-M522 HydrophobicContact CB-CE 4.37Å; N507-M522 HydrophobicContact CB-SD 3.81Å; N507-M522 VanDerWaalsContact O-CG 3.24Å; N507-M522 WeakPolarHBondContact O-CG 3.46Å; N507-M522 VanDerWaalsContact O-SD 3.38Å; M522-Y543 HydrophobicContact CB-CD1 3.76Å; M522-Y543 HydrophobicContact CB-CE1 3.94Å; M522-Y543 HydrophobicContact CE-CD1 3.86Å; M522-Y543 HydrophobicContact CE-CE1 4.39Å; M522-Y543 HydrophobicContact CE-CG 4.1Å; M522-Y546 HydrophobicContact CB-CE1 4.39Å; M522-Y546 HydrophobicContact CG-CD1 4.19Å; M522-Y546 HydrophobicContact CG-CE1 3.51Å |
| 523 | H | 94.7 | Very high | 88.8 | Confident | 68 Ų | 68 | 70.8 Ų | 70.8 | 32% | 0.315 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 143.6 | -173.4 | -169.6 | 70.6 | 0 | 0 | 0 | 112.6 | R521 F525 Y543 Q544 G545 L547 | R521-H523 PolarHBondContact O-N 2.91Å; H523-F525 HydrophobicContact CB-CE2 4.14Å; H523-F525 HydrophobicContact CB-CZ 4.45Å; H523-F525 AromaticContact CD2-CD1 3.92Å; H523-F525 AromaticContact CD2-CD2 3.89Å; H523-F525 AromaticContact CD2-CE1 3.91Å; H523-F525 AromaticContact CD2-CE2 3.86Å; H523-F525 AromaticContact CD2-CG 3.91Å; H523-F525 AromaticContact CD2-CZ 3.87Å; H523-Y543 WeakPolarHBondContact O-CA 3.35Å; H523-Q544 PolarHBondContact O-N 3.31Å; H523-G545 PolarHBondContact N-O 3.32Å; H523-L547 HydrophobicContact CB-CB 3.61Å |
| 524 | T | 93.6 | Very high | 88.7 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 29% | 0.288 | 36% | 0.355 | S | S | . | . | trans | -99.8 | 113.5 | 170.5 | -60 | 0 | 0 | 0 | 0 | 109.1 | V541 Y543 Q544 | T524-V541 VanDerWaalsContact CG2-O 3.3Å; T524-V541 WeakPolarHBondContact CG2-O 3.49Å; T524-Y543 PolarHBondContact OG1-N 3.29Å; T524-Q544 VanDerWaalsContact CA-OE1 3.32Å | ||
| 525 | F | 90.3 | Very high | 88.4 | Confident | 21 Ų | 21 | 74 Ų | 74 | 9% | 0.092 | 36% | 0.355 | C | S | . | . | trans | -84.1 | 118.7 | 177.3 | -63.4 | -97.4 | 0 | 0 | 0 | 109.4 | H523 R527 T529 L538 Q544 L547 | H523-F525 HydrophobicContact CB-CE2 4.14Å; H523-F525 HydrophobicContact CB-CZ 4.45Å; H523-F525 AromaticContact CD2-CD1 3.92Å; H523-F525 AromaticContact CD2-CD2 3.89Å; H523-F525 AromaticContact CD2-CE1 3.91Å; H523-F525 AromaticContact CD2-CE2 3.86Å; H523-F525 AromaticContact CD2-CG 3.91Å; H523-F525 AromaticContact CD2-CZ 3.87Å; F525-R527 VanDerWaalsContact C-N 3.27Å; F525-R527 PolarHBondContact O-N 3.37Å; F525-T529 HydrophobicContact CD1-CG2 3.87Å; F525-T529 HydrophobicContact CE1-CG2 4.11Å; F525-L538 HydrophobicContact CD1-CD1 4.3Å; F525-L538 HydrophobicContact CD2-CD1 3.84Å; F525-L538 HydrophobicContact CE1-CD1 4Å; F525-L538 HydrophobicContact CE2-CD1 3.53Å; F525-L538 HydrophobicContact CG-CD1 4.24Å; F525-L538 HydrophobicContact CZ-CD1 3.61Å; F525-Q544 HydrophobicContact CD2-CB 4.46Å; F525-Q544 PolarHBondContact O-NE2 3.45Å; F525-L547 HydrophobicContact CE1-CD1 3.97Å; F525-L547 HydrophobicContact CZ-CB 4.13Å; F525-L547 HydrophobicContact CZ-CD1 4.23Å | ||
| 526 | E | 82.1 | Confident | 88.2 | Confident | 196 Ų | 196 | 73.8 Ų | 73.8 | 92% | 0.916 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -70.3 | -26 | 179.6 | -64.7 | -178.7 | 175.7 | 0 | 0 | 113 | ||
| 527 | R | 80.6 | Confident | 88 | Confident | 208 Ų | 208 | 70.7 Ų | 70.7 | 79% | 0.785 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -109.2 | 149.6 | 178.3 | -54.4 | -177.1 | 89.5 | -177 | 6.1 | 109.3 | F525 T529 | F525-R527 VanDerWaalsContact C-N 3.27Å; F525-R527 PolarHBondContact O-N 3.37Å; R527-T529 PolarHBondContact O-N 3.07Å; R527-T529 VanDerWaalsContact O-N 3.09Å; R527-T529 PolarHBondContact O-OG1 3.46Å |
| 528 | I | 82.9 | Confident | 87.9 | Confident | 93 Ų | 93 | 63.6 Ų | 63.6 | 48% | 0.477 | 31% | 0.306 | S | S | . | . | trans | -52.3 | 120.3 | 168.7 | -65.1 | 163 | 0 | 0 | 0 | 108.3 | L280 L537 | L280-I528 HydrophobicContact CB-CD1 3.54Å; L280-I528 HydrophobicContact CD1-CD1 4.27Å; L280-I528 HydrophobicContact CD1-CG2 3.4Å; I528-L537 HydrophobicContact CG2-CD2 3.84Å | ||
| 529 | T | 85.6 | Confident | 87.8 | Confident | 40 Ų | 40 | 64 Ų | 64 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | trans | -132.9 | 139.3 | -172.7 | -57.6 | 0 | 0 | 0 | 0 | 109.2 | F525 R527 L538 | F525-T529 HydrophobicContact CD1-CG2 3.87Å; F525-T529 HydrophobicContact CE1-CG2 4.11Å; R527-T529 PolarHBondContact O-N 3.07Å; R527-T529 VanDerWaalsContact O-N 3.09Å; R527-T529 PolarHBondContact O-OG1 3.46Å; T529-L538 HydrophobicContact CG2-CD1 3.85Å; T529-L538 WeakPolarHBondContact O-CB 3.36Å; T529-L538 PolarHBondContact O-N 3.28Å | ||
| 530 | S | 86.1 | Confident | 87.5 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -98 | 146.9 | 172.5 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | N532 M536 | S530-N532 PolarHBondContact O-N 2.99Å; S530-M536 CarbonylContact C-O 3.56Å; S530-M536 WeakPolarHBondContact CA-O 3.38Å |
| 531 | C | 87.8 | Confident | 87.2 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | trans | -62.1 | 131.5 | 175.2 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | S533 C534 H535 M536 L538 H556 C559 | C531-S533 PolarHBondContact O-N 3.5Å; C531-S533 VanDerWaalsContact O-N 3.15Å; C531-S533 PolarHBondContact SG-N 2.75Å; C531-S533 VanDerWaalsContact SG-N 3.39Å; C531-C534 VanDerWaalsContact CB-SG 3.57Å; C531-C534 VanDerWaalsContact SG-SG 3.65Å; C531-H535 VanDerWaalsContact O-CA 3.23Å; C531-H535 WeakPolarHBondContact O-CA 3.5Å; C531-H535 PolarHBondContact O-N 2.85Å; C531-M536 WeakPolarHBondContact CB-O 3.39Å; C531-M536 PolarHBondContact N-O 3.49Å; C531-L538 HydrophobicContact CB-CD2 4.02Å; C531-H556 WeakPolarHBondContact CB-CE1 3.15Å; C531-H556 WeakPolarHBondContact CB-ND1 3.2Å; C531-H556 PolarHBondContact SG-ND1 2.64Å; C531-H556 VanDerWaalsContact SG-ND1 3.44Å; C531-C559 VanDerWaalsContact SG-SG 3.66Å | ||
| 532 | N | 91.8 | Very high | 87.1 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -6.2 | 179.4 | -70.8 | 109 | 0 | 0 | 0 | 113.9 | S530 L553 G554 F563 | S530-N532 PolarHBondContact O-N 2.99Å; N532-L553 HydrophobicContact CB-CB 4.48Å; N532-L553 HydrophobicContact CB-CD2 3.9Å; N532-G554 WeakPolarHBondContact CB-O 3.35Å; N532-G554 PolarHBondContact N-O 2.7Å; N532-G554 PolarHBondContact OD1-N 2.88Å; N532-G554 PolarHBondContact OD1-O 2.85Å; N532-G554 VanDerWaalsContact OD1-O 3.05Å; N532-F563 HydrophobicContact CB-CE1 3.65Å; N532-F563 HydrophobicContact CB-CZ 4.04Å |
| 533 | S | 88.4 | Confident | 87 | Confident | 30 Ų | 30 | 57.3 Ų | 57.3 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -56 | 176.9 | 174.1 | 0 | 0 | 0 | 0 | 113 | C531 R562 | C531-S533 PolarHBondContact O-N 3.5Å; C531-S533 VanDerWaalsContact O-N 3.15Å; C531-S533 PolarHBondContact SG-N 2.75Å; C531-S533 VanDerWaalsContact SG-N 3.39Å; S533-R562 VanDerWaalsContact OG-CB 3.22Å; S533-R562 WeakPolarHBondContact OG-CB 3.41Å; S533-R562 VanDerWaalsContact OG-CD 3.29Å; S533-R562 WeakPolarHBondContact OG-CD 3.23Å |
| 534 | C | 82.1 | Confident | 86.9 | Confident | 41 Ų | 41 | 54.6 Ų | 54.6 | 28% | 0.277 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -5.3 | -175.5 | 68.8 | 0 | 0 | 0 | 0 | 113.7 | C531 M536 H556 | C531-C534 VanDerWaalsContact CB-SG 3.57Å; C531-C534 VanDerWaalsContact SG-SG 3.65Å; C534-M536 HydrophobicContact CB-CG 4.47Å; C534-M536 PolarHBondContact O-N 3.06Å; C534-H556 PolarHBondContact SG-CE1 2.73Å; C534-H556 PolarHBondContact SG-ND1 3.41Å |
| 535 | H | 81.7 | Confident | 86.9 | Confident | 141 Ų | 141 | 52.7 Ų | 52.7 | 65% | 0.653 | 26% | 0.261 | S | S | * | . | trans | 61.1 | 2.2 | -177.4 | -53.1 | -64.4 | 0 | 0 | 0 | 115.9 | C531 | C531-H535 VanDerWaalsContact O-CA 3.23Å; C531-H535 WeakPolarHBondContact O-CA 3.5Å; C531-H535 PolarHBondContact O-N 2.85Å | ||
| 536 | M | 81.9 | Confident | 87.2 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 30% | 0.3 | 26% | 0.259 | S | S | . | . | trans | -76.4 | 158.5 | 171.2 | -57.4 | -62.6 | -87.4 | 0 | 0 | 110.9 | D367 S530 C531 C534 | D367-M536 HydrophobicContact CB-CE 3.59Å; D367-M536 VanDerWaalsContact CG-CE 3.4Å; S530-M536 CarbonylContact C-O 3.56Å; S530-M536 WeakPolarHBondContact CA-O 3.38Å; C531-M536 WeakPolarHBondContact CB-O 3.39Å; C531-M536 PolarHBondContact N-O 3.49Å; C534-M536 HydrophobicContact CB-CG 4.47Å; C534-M536 PolarHBondContact O-N 3.06Å | ||
| 537 | L | 82.1 | Confident | 87.9 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -64.6 | 138.7 | -177.2 | -67.6 | 164.4 | 0 | 0 | 0 | 111.8 | L280 D367 Y371 I528 R539 H556 | L280-L537 HydrophobicContact CD1-CD1 3.92Å; L280-L537 HydrophobicContact CD1-CD2 3.66Å; L280-L537 HydrophobicContact CD1-CG 4.46Å; L280-L537 HydrophobicContact CD2-CD1 3.4Å; L280-L537 HydrophobicContact CG-CD1 4.31Å; D367-L537 PolarHBondContact OD2-N 3.44Å; Y371-L537 HydrophobicContact CD2-CD1 4.41Å; Y371-L537 HydrophobicContact CG-CD1 4.31Å; I528-L537 HydrophobicContact CG2-CD2 3.84Å; L537-R539 VanDerWaalsContact C-N 3.33Å; L537-R539 HydrophobicContact CB-CG 4.27Å; L537-R539 WeakPolarHBondContact O-CG 3.42Å; L537-R539 PolarHBondContact O-N 3.34Å; L537-H556 PolarHBondContact O-CE1 2.84Å; L537-H556 PolarHBondContact O-NE2 3.41Å |
| 538 | L | 87.3 | Confident | 88.6 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | trans | -74 | 93.1 | 161.6 | -63.6 | 177.2 | 0 | 0 | 0 | 107 | F525 T529 C531 Q544 A555 | F525-L538 HydrophobicContact CD1-CD1 4.3Å; F525-L538 HydrophobicContact CD2-CD1 3.84Å; F525-L538 HydrophobicContact CE1-CD1 4Å; F525-L538 HydrophobicContact CE2-CD1 3.53Å; F525-L538 HydrophobicContact CG-CD1 4.24Å; F525-L538 HydrophobicContact CZ-CD1 3.61Å; T529-L538 HydrophobicContact CG2-CD1 3.85Å; T529-L538 WeakPolarHBondContact O-CB 3.36Å; T529-L538 PolarHBondContact O-N 3.28Å; C531-L538 HydrophobicContact CB-CD2 4.02Å; L538-Q544 HydrophobicContact CB-CB 3.93Å; L538-A555 VanDerWaalsContact CD2-C 3.5Å | ||
| 539 | R | 87.7 | Confident | 89 | Confident | 14 Ų | 14 | 34 Ų | 34 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | trans | -73.6 | 141.7 | -166.1 | -52.9 | -176.4 | -168.2 | 93.6 | 3 | 112.2 | D367 Y371 E374 L537 Q544 Y858 | D367-R539 IonicContact OD1-CZ 3.92Å; D367-R539 IonicContact OD1-NE 3.55Å; D367-R539 PolarHBondContact OD1-NE 3.25Å; D367-R539 IonicContact OD1-NH2 3.87Å; D367-R539 PolarHBondContact OD1-NH2 2.95Å; Y371-R539 HydrophobicContact CD2-CB 4.5Å; E374-R539 HydrophobicContact CB-CB 3.84Å; E374-R539 HydrophobicContact CG-CB 3.6Å; L537-R539 VanDerWaalsContact C-N 3.33Å; L537-R539 HydrophobicContact CB-CG 4.27Å; L537-R539 WeakPolarHBondContact O-CG 3.42Å; L537-R539 PolarHBondContact O-N 3.34Å; R539-Q544 WeakPolarHBondContact O-CB 3.38Å; R539-Q544 WeakPolarHBondContact O-CG 3.33Å; R539-Y858 VanDerWaalsContact CZ-OH 3.29Å; R539-Y858 PolarHBondContact NH1-OH 3.02Å; R539-Y858 PolarHBondContact NH2-OH 3.37Å | ||
| 540 | G | 87 | Confident | 89.3 | Confident | 4 Ų | 4 | 38 Ų | 38 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 101.3 | -173.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D378 Q544 | D378-G540 WeakPolarHBondContact OD2-CA 3.3Å; G540-Q544 VanDerWaalsContact C-CG 3.43Å; G540-Q544 VanDerWaalsContact O-CG 3.24Å; G540-Q544 WeakPolarHBondContact O-CG 3.2Å; G540-Q544 PolarHBondContact O-NE2 3.28Å; G540-Q544 VanDerWaalsContact O-NE2 3.13Å |
| 541 | V | 87.9 | Confident | 89.3 | Confident | 54 Ų | 54 | 36.8 Ų | 36.8 | 33% | 0.327 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -123 | -5.8 | -179.6 | -64.5 | 0 | 0 | 0 | 0 | 113.3 | V375 D378 L382 T524 | V375-V541 HydrophobicContact CG1-CG1 3.96Å; V375-V541 HydrophobicContact CG2-CG1 4.12Å; D378-V541 HydrophobicContact CB-CG2 3.63Å; D378-V541 PolarHBondContact OD2-N 3Å; L382-V541 HydrophobicContact CD1-CG2 4.42Å; T524-V541 VanDerWaalsContact CG2-O 3.3Å; T524-V541 WeakPolarHBondContact CG2-O 3.49Å |
| 542 | F | 92.1 | Very high | 89.5 | Confident | 11 Ų | 11 | 39.1 Ų | 39.1 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -135.9 | 120.4 | -174.1 | -178.4 | -124.8 | 0 | 0 | 0 | 109.6 | D378 T381 L382 I385 S400 G403 R404 Q544 | D378-F542 HydrophobicContact CB-CB 4.04Å; D378-F542 PolarHBondContact OD2-N 3.47Å; T381-F542 HydrophobicContact CG2-CE1 4.47Å; L382-F542 HydrophobicContact CD1-CB 4.37Å; L382-F542 HydrophobicContact CD2-CD1 4.28Å; L382-F542 HydrophobicContact CD2-CD2 3.86Å; L382-F542 HydrophobicContact CD2-CE1 4.43Å; L382-F542 HydrophobicContact CD2-CE2 4.02Å; L382-F542 HydrophobicContact CD2-CG 3.99Å; L382-F542 HydrophobicContact CD2-CZ 4.3Å; L382-F542 HydrophobicContact CG-CB 4.46Å; L382-F542 HydrophobicContact CG-CG 4.32Å; I385-F542 HydrophobicContact CD1-CE1 3.68Å; I385-F542 HydrophobicContact CD1-CZ 3.84Å; S400-F542 WeakPolarHBondContact O-CE2 3.37Å; S400-F542 VanDerWaalsContact O-CZ 3.32Å; S400-F542 WeakPolarHBondContact O-CZ 3.42Å; G403-F542 WeakPolarHBondContact O-CZ 3.23Å; R404-F542 HydrophobicContact CG-CD1 4Å; R404-F542 HydrophobicContact CG-CE1 3.88Å; R404-F542 PolarHBondContact NH1-O 2.9Å; R404-F542 PolarHBondContact NH2-O 3.22Å; F542-Q544 VanDerWaalsContact C-N 3.34Å; F542-Q544 PolarHBondContact O-N 3.33Å |
| 543 | Y | 94.1 | Very high | 89.5 | Confident | 44 Ų | 44 | 37.4 Ų | 37.4 | 17% | 0.173 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 43.1 | 55.3 | -178.4 | -73.2 | -76.8 | 0 | 0 | 0 | 113.9 | S400 N401 G403 R404 M522 H523 T524 G545 | S400-Y543 WeakPolarHBondContact O-CE2 3.16Å; N401-Y543 PolarHBondContact O-OH 3.37Å; N401-Y543 VanDerWaalsContact O-OH 3.08Å; G403-Y543 VanDerWaalsContact CA-CE2 3.45Å; R404-Y543 PolarHBondContact NH1-O 2.98Å; M522-Y543 HydrophobicContact CB-CD1 3.76Å; M522-Y543 HydrophobicContact CB-CE1 3.94Å; M522-Y543 HydrophobicContact CE-CD1 3.86Å; M522-Y543 HydrophobicContact CE-CE1 4.39Å; M522-Y543 HydrophobicContact CE-CG 4.1Å; H523-Y543 WeakPolarHBondContact O-CA 3.35Å; T524-Y543 PolarHBondContact OG1-N 3.29Å; Y543-G545 PolarHBondContact O-N 2.82Å |
| 544 | Q | 92.6 | Very high | 89.8 | Confident | 11 Ų | 11 | 36 Ų | 36 | 5% | 0.051 | 20% | 0.2 | C | C | . | . | trans | -68.1 | -23.4 | -173.5 | -55.7 | 96.6 | -34.2 | 0 | 0 | 113.2 | H523 T524 F525 L538 R539 G540 F542 | H523-Q544 PolarHBondContact O-N 3.31Å; T524-Q544 VanDerWaalsContact CA-OE1 3.32Å; F525-Q544 HydrophobicContact CD2-CB 4.46Å; F525-Q544 PolarHBondContact O-NE2 3.45Å; L538-Q544 HydrophobicContact CB-CB 3.93Å; R539-Q544 WeakPolarHBondContact O-CB 3.38Å; R539-Q544 WeakPolarHBondContact O-CG 3.33Å; G540-Q544 VanDerWaalsContact C-CG 3.43Å; G540-Q544 VanDerWaalsContact O-CG 3.24Å; G540-Q544 WeakPolarHBondContact O-CG 3.2Å; G540-Q544 PolarHBondContact O-NE2 3.28Å; G540-Q544 VanDerWaalsContact O-NE2 3.13Å; F542-Q544 VanDerWaalsContact C-N 3.34Å; F542-Q544 PolarHBondContact O-N 3.33Å | ||
| 545 | G | 93.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 6% | 0.062 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | -145.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H523 Y543 A555 | H523-G545 PolarHBondContact N-O 3.32Å; Y543-G545 PolarHBondContact O-N 2.82Å; G545-A555 WeakPolarHBondContact CA-O 3.26Å |
| 546 | Y | 96.4 | Very high | 90.8 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 4% | 0.043 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 143.5 | -173.7 | -62.1 | -100.3 | 0 | 0 | 0 | 111 | N507 P510 R521 M522 G554 A555 K557 L560 | N507-Y546 WeakPolarHBondContact CA-OH 3.17Å; N507-Y546 VanDerWaalsContact O-CE1 3.22Å; N507-Y546 WeakPolarHBondContact O-CE1 3.49Å; N507-Y546 PolarHBondContact O-OH 2.89Å; P510-Y546 HydrophobicContact CB-CE1 4.29Å; P510-Y546 HydrophobicContact CG-CD1 3.97Å; P510-Y546 HydrophobicContact CG-CE1 3.46Å; P510-Y546 VanDerWaalsContact CG-CE1 3.46Å; R521-Y546 CarbonylContact O-C 3.53Å; R521-Y546 VanDerWaalsContact O-CA 3.22Å; R521-Y546 WeakPolarHBondContact O-CA 3.36Å; M522-Y546 HydrophobicContact CB-CE1 4.39Å; M522-Y546 HydrophobicContact CG-CD1 4.19Å; M522-Y546 HydrophobicContact CG-CE1 3.51Å; Y546-G554 CarbonylContact O-C 3.6Å; Y546-G554 VanDerWaalsContact O-CA 3.29Å; Y546-G554 WeakPolarHBondContact O-CA 3.33Å; Y546-A555 PolarHBondContact N-O 3.43Å; Y546-A555 PolarHBondContact O-N 3.27Å; Y546-K557 HydrophobicContact CD2-CB 4.31Å; Y546-K557 HydrophobicContact CE2-CB 3.59Å; Y546-K557 HydrophobicContact CE2-CD 4.4Å; Y546-K557 HydrophobicContact CE2-CG 3.71Å; Y546-L560 HydrophobicContact CD1-CD1 4.39Å; Y546-L560 HydrophobicContact CD2-CD1 4.28Å; Y546-L560 HydrophobicContact CD2-CD2 4.42Å; Y546-L560 HydrophobicContact CG-CD1 4.16Å; Y546-L560 HydrophobicContact CG-CD2 4.26Å |
| 547 | L | 96 | Very high | 91.4 | Very high | 46 Ų | 46 | 26.9 Ų | 26.9 | 24% | 0.241 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 129 | 173.6 | -175.4 | 72.6 | 0 | 0 | 0 | 109.2 | F520 R521 H523 F525 S549 G552 L553 | F520-L547 WeakPolarHBondContact CA-O 3.44Å; R521-L547 PolarHBondContact N-O 3.09Å; R521-L547 PolarHBondContact O-N 2.84Å; H523-L547 HydrophobicContact CB-CB 3.61Å; F525-L547 HydrophobicContact CE1-CD1 3.97Å; F525-L547 HydrophobicContact CZ-CB 4.13Å; F525-L547 HydrophobicContact CZ-CD1 4.23Å; L547-S549 PolarHBondContact O-N 3.29Å; L547-G552 VanDerWaalsContact CD1-O 3.26Å; L547-G552 WeakPolarHBondContact CD1-O 3.3Å; L547-L553 WeakPolarHBondContact CA-O 3.42Å |
| 548 | C | 95 | Very high | 91.6 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 115.1 | 171.6 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | H518 E519 F520 K550 C551 G552 L553 C566 | H518-C548 PolarHBondContact ND1-SG 3.44Å; E519-C548 PolarHBondContact N-SG 3.25Å; E519-C548 WeakPolarHBondContact O-CA 3.38Å; F520-C548 HydrophobicContact CD1-CB 3.73Å; F520-C548 HydrophobicContact CE1-CB 3.62Å; F520-C548 HydrophobicContact CE2-CB 4.49Å; F520-C548 HydrophobicContact CG-CB 4.23Å; F520-C548 HydrophobicContact CZ-CB 4.02Å; C548-K550 PolarHBondContact O-N 3.47Å; C548-K550 VanDerWaalsContact O-N 3.12Å; C548-C551 VanDerWaalsContact CB-SG 3.6Å; C548-C551 PolarHBondContact SG-SG 2.88Å; C548-G552 WeakPolarHBondContact O-CA 3.39Å; C548-G552 PolarHBondContact O-N 2.95Å; C548-L553 PolarHBondContact N-O 3.22Å; C548-C566 VanDerWaalsContact SG-SG 3.64Å |
| 549 | S | 92.6 | Very high | 91.7 | Very high | 67 Ų | 67 | 28.7 Ų | 28.7 | 47% | 0.469 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -18.3 | -179.6 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | E519 L547 | E519-S549 WeakPolarHBondContact CB-OG 3.38Å; E519-S549 WeakPolarHBondContact CG-OG 3.31Å; E519-S549 PolarHBondContact O-N 3.31Å; E519-S549 PolarHBondContact O-OG 3.31Å; E519-S549 VanDerWaalsContact O-OG 3.12Å; L547-S549 PolarHBondContact O-N 3.29Å |
| 550 | K | 90.1 | Very high | 91.8 | Very high | 124 Ų | 124 | 28.1 Ų | 28.1 | 54% | 0.539 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -42.9 | -179 | -66.1 | 177.4 | -172.3 | 168.8 | 0 | 113.9 | F517 E519 C548 C566 | F517-K550 WeakPolarHBondContact O-CD 3.48Å; F517-K550 PolarHBondContact O-NZ 3.13Å; E519-K550 HydrophobicContact CB-CD 4.21Å; E519-K550 HydrophobicContact CB-CG 4.26Å; E519-K550 VanDerWaalsContact OE2-CE 3.23Å; E519-K550 WeakPolarHBondContact OE2-CE 3.25Å; E519-K550 IonicContact OE2-NZ 2.67Å; C548-K550 PolarHBondContact O-N 3.47Å; C548-K550 VanDerWaalsContact O-N 3.12Å; K550-C566 WeakPolarHBondContact CB-SG 3.48Å |
| 551 | C | 87.2 | Confident | 91.8 | Very high | 19 Ų | 19 | 29.4 Ų | 29.4 | 13% | 0.128 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -4.5 | -174.6 | 67.9 | 0 | 0 | 0 | 0 | 114.9 | H518 C548 L553 T569 | H518-C551 PolarHBondContact CE1-SG 2.83Å; H518-C551 PolarHBondContact ND1-SG 3.49Å; H518-C551 VanDerWaalsContact ND1-SG 3.35Å; C548-C551 VanDerWaalsContact CB-SG 3.6Å; C548-C551 PolarHBondContact SG-SG 2.88Å; C551-L553 VanDerWaalsContact C-N 3.26Å; C551-L553 PolarHBondContact O-N 2.99Å; C551-L553 VanDerWaalsContact SG-CG 3.56Å; C551-T569 HydrophobicContact CB-CG2 4.3Å |
| 552 | G | 90.8 | Very high | 91.8 | Very high | 50 Ų | 50 | 32.4 Ų | 32.4 | 52% | 0.515 | 18% | 0.178 | S | C | . | . | trans | 73.2 | 9.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L547 C548 | L547-G552 VanDerWaalsContact CD1-O 3.26Å; L547-G552 WeakPolarHBondContact CD1-O 3.3Å; C548-G552 WeakPolarHBondContact O-CA 3.39Å; C548-G552 PolarHBondContact O-N 2.95Å | ||
| 553 | L | 93.4 | Very high | 91.3 | Very high | 41 Ų | 41 | 32.7 Ų | 32.7 | 22% | 0.215 | 18% | 0.179 | C | C | . | . | trans | -69.9 | 133.9 | 175.1 | -66.9 | 175.7 | 0 | 0 | 0 | 110.8 | F520 N532 L547 C548 C551 F563 | F520-L553 HydrophobicContact CE1-CB 4.44Å; F520-L553 WeakPolarHBondContact CE1-O 3.26Å; N532-L553 HydrophobicContact CB-CB 4.48Å; N532-L553 HydrophobicContact CB-CD2 3.9Å; L547-L553 WeakPolarHBondContact CA-O 3.42Å; C548-L553 PolarHBondContact N-O 3.22Å; C551-L553 VanDerWaalsContact C-N 3.26Å; C551-L553 PolarHBondContact O-N 2.99Å; C551-L553 VanDerWaalsContact SG-CG 3.56Å; L553-F563 HydrophobicContact CD1-CD1 3.88Å; L553-F563 HydrophobicContact CD1-CE1 4.22Å | ||
| 554 | G | 93.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 137.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N532 Y546 | N532-G554 WeakPolarHBondContact CB-O 3.35Å; N532-G554 PolarHBondContact N-O 2.7Å; N532-G554 PolarHBondContact OD1-N 2.88Å; N532-G554 PolarHBondContact OD1-O 2.85Å; N532-G554 VanDerWaalsContact OD1-O 3.05Å; Y546-G554 CarbonylContact O-C 3.6Å; Y546-G554 VanDerWaalsContact O-CA 3.29Å; Y546-G554 WeakPolarHBondContact O-CA 3.33Å |
| 555 | A | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 156 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | F520 L538 G545 Y546 C559 L560 F563 | F520-A555 HydrophobicContact CE1-CB 4.12Å; L538-A555 VanDerWaalsContact CD2-C 3.5Å; G545-A555 WeakPolarHBondContact CA-O 3.26Å; Y546-A555 PolarHBondContact N-O 3.43Å; Y546-A555 PolarHBondContact O-N 3.27Å; A555-C559 HydrophobicContact CB-CB 4.27Å; A555-L560 HydrophobicContact CB-CD2 3.77Å; A555-F563 HydrophobicContact CB-CE2 3.37Å; A555-F563 HydrophobicContact CB-CZ 3.54Å |
| 556 | H | 91.6 | Very high | 89.7 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 3% | 0.032 | 22% | 0.22 | C | C | . | . | trans | -68.8 | 162.6 | 164.5 | -55.2 | 104.4 | 0 | 0 | 0 | 111.1 | C531 C534 L537 E558 C559 L560 | C531-H556 WeakPolarHBondContact CB-CE1 3.15Å; C531-H556 WeakPolarHBondContact CB-ND1 3.2Å; C531-H556 PolarHBondContact SG-ND1 2.64Å; C531-H556 VanDerWaalsContact SG-ND1 3.44Å; C534-H556 PolarHBondContact SG-CE1 2.73Å; C534-H556 PolarHBondContact SG-ND1 3.41Å; L537-H556 PolarHBondContact O-CE1 2.84Å; L537-H556 PolarHBondContact O-NE2 3.41Å; H556-E558 VanDerWaalsContact C-N 3.31Å; H556-E558 HydrophobicContact CB-CG 4.03Å; H556-E558 WeakPolarHBondContact CB-OE2 3.21Å; H556-E558 PolarHBondContact O-N 2.85Å; H556-C559 HydrophobicContact CB-CB 4.21Å; H556-C559 PolarHBondContact O-N 2.86Å; H556-C559 VanDerWaalsContact O-N 3.11Å; H556-L560 WeakPolarHBondContact O-CD2 3.39Å | ||
| 557 | K | 93.1 | Very high | 88.2 | Confident | 43 Ų | 43 | 38.6 Ų | 38.6 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -60.2 | -42.2 | -179.3 | -165.5 | 178.2 | 177 | -177.7 | 0 | 112 | S506 N507 P510 Y546 C559 L560 | S506-K557 VanDerWaalsContact O-CE 3.23Å; S506-K557 WeakPolarHBondContact O-CE 3.5Å; S506-K557 PolarHBondContact O-NZ 2.75Å; S506-K557 PolarHBondContact OG-NZ 3.02Å; N507-K557 PolarHBondContact OD1-NZ 3.19Å; P510-K557 HydrophobicContact CB-CD 4.45Å; P510-K557 HydrophobicContact CB-CG 3.86Å; Y546-K557 HydrophobicContact CD2-CB 4.31Å; Y546-K557 HydrophobicContact CE2-CB 3.59Å; Y546-K557 HydrophobicContact CE2-CD 4.4Å; Y546-K557 HydrophobicContact CE2-CG 3.71Å; K557-C559 VanDerWaalsContact C-N 3.28Å; K557-C559 PolarHBondContact O-N 2.83Å; K557-L560 VanDerWaalsContact O-CG 3.28Å; K557-L560 WeakPolarHBondContact O-CG 3.47Å |
| 558 | E | 87.8 | Confident | 86.4 | Confident | 45 Ų | 45 | 45.1 Ų | 45.1 | 21% | 0.21 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -72.1 | -20.2 | 178.6 | 53.5 | -91.3 | -130.2 | 0 | 0 | 112.8 | H556 D814 | H556-E558 VanDerWaalsContact C-N 3.31Å; H556-E558 HydrophobicContact CB-CG 4.03Å; H556-E558 WeakPolarHBondContact CB-OE2 3.21Å; H556-E558 PolarHBondContact O-N 2.85Å; E558-D814 HydrophobicContact CB-CB 4.14Å; E558-D814 HydrophobicContact CG-CB 4.42Å |
| 559 | C | 89.4 | Confident | 84 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.027 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -89.2 | -9.2 | -177.1 | -74 | 0 | 0 | 0 | 0 | 113.9 | C531 A555 H556 K557 G561 R562 F563 | C531-C559 VanDerWaalsContact SG-SG 3.66Å; A555-C559 HydrophobicContact CB-CB 4.27Å; H556-C559 HydrophobicContact CB-CB 4.21Å; H556-C559 PolarHBondContact O-N 2.86Å; H556-C559 VanDerWaalsContact O-N 3.11Å; K557-C559 VanDerWaalsContact C-N 3.28Å; K557-C559 PolarHBondContact O-N 2.83Å; C559-G561 VanDerWaalsContact C-N 3.25Å; C559-G561 PolarHBondContact O-N 3.34Å; C559-R562 WeakPolarHBondContact O-CB 3.42Å; C559-R562 PolarHBondContact O-N 3.46Å; C559-F563 WeakPolarHBondContact O-CD2 3.07Å; C559-F563 VanDerWaalsContact O-CE2 3.27Å; C559-F563 WeakPolarHBondContact O-CE2 3.34Å |
| 560 | L | 89.3 | Confident | 81.4 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -61.6 | -31.2 | -171.2 | -56.7 | -177.3 | 0 | 0 | 0 | 113.5 | P510 N512 F520 Y546 A555 H556 K557 R562 | P510-L560 HydrophobicContact CB-CD1 3.8Å; P510-L560 HydrophobicContact CG-CD1 3.35Å; N512-L560 HydrophobicContact CB-CB 4.2Å; F520-L560 HydrophobicContact CB-CD1 4.29Å; F520-L560 HydrophobicContact CB-CD2 4.05Å; F520-L560 HydrophobicContact CD1-CD2 3.72Å; F520-L560 HydrophobicContact CD2-CB 4.4Å; F520-L560 HydrophobicContact CD2-CD2 3.81Å; F520-L560 HydrophobicContact CE1-CD2 4.04Å; F520-L560 HydrophobicContact CE2-CD2 4.12Å; F520-L560 HydrophobicContact CG-CD2 3.6Å; F520-L560 HydrophobicContact CZ-CD2 4.24Å; Y546-L560 HydrophobicContact CD1-CD1 4.39Å; Y546-L560 HydrophobicContact CD2-CD1 4.28Å; Y546-L560 HydrophobicContact CD2-CD2 4.42Å; Y546-L560 HydrophobicContact CG-CD1 4.16Å; Y546-L560 HydrophobicContact CG-CD2 4.26Å; A555-L560 HydrophobicContact CB-CD2 3.77Å; H556-L560 WeakPolarHBondContact O-CD2 3.39Å; K557-L560 VanDerWaalsContact O-CG 3.28Å; K557-L560 WeakPolarHBondContact O-CG 3.47Å; L560-R562 VanDerWaalsContact C-N 3.28Å; L560-R562 PolarHBondContact O-N 3.11Å |
| 561 | G | 86.7 | Confident | 78.7 | Confident | 32 Ų | 32 | 53.8 Ų | 53.8 | 33% | 0.33 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -75.9 | -10.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | C559 | C559-G561 VanDerWaalsContact C-N 3.25Å; C559-G561 PolarHBondContact O-N 3.34Å |
| 562 | R | 88.4 | Confident | 75.9 | Confident | 116 Ų | 116 | 56.1 Ų | 56.1 | 44% | 0.438 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -91.5 | -4.6 | -170.7 | -58 | 179.6 | -179.1 | -153.1 | -4.7 | 113.7 | S533 C559 L560 D814 | S533-R562 VanDerWaalsContact OG-CB 3.22Å; S533-R562 WeakPolarHBondContact OG-CB 3.41Å; S533-R562 VanDerWaalsContact OG-CD 3.29Å; S533-R562 WeakPolarHBondContact OG-CD 3.23Å; C559-R562 WeakPolarHBondContact O-CB 3.42Å; C559-R562 PolarHBondContact O-N 3.46Å; L560-R562 VanDerWaalsContact C-N 3.28Å; L560-R562 PolarHBondContact O-N 3.11Å; R562-D814 IonicContact CZ-OD2 2.73Å; R562-D814 IonicContact NH2-OD1 3.8Å; R562-D814 IonicContact NH2-OD2 3.79Å; R562-D814 PolarHBondContact NH2-OD2 3.34Å |
| 563 | F | 81.8 | Confident | 73 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | trans | -88.3 | 143.8 | -178.7 | -63.8 | -77 | 0 | 0 | 0 | 112.7 | N516 F520 N532 L553 A555 C559 | N516-F563 PolarHBondContact ND2-O 3.18Å; F520-F563 HydrophobicContact CE1-CE2 4.46Å; F520-F563 AromaticContact CE2-CD2 3.97Å; F520-F563 HydrophobicContact CE2-CD2 3.97Å; F520-F563 HydrophobicContact CE2-CE2 4.47Å; F520-F563 AromaticContact CZ-CD2 3.62Å; F520-F563 HydrophobicContact CZ-CD2 3.62Å; F520-F563 AromaticContact CZ-CE2 3.8Å; F520-F563 HydrophobicContact CZ-CE2 3.8Å; F520-F563 HydrophobicContact CZ-CG 4.24Å; N532-F563 HydrophobicContact CB-CE1 3.65Å; N532-F563 HydrophobicContact CB-CZ 4.04Å; L553-F563 HydrophobicContact CD1-CD1 3.88Å; L553-F563 HydrophobicContact CD1-CE1 4.22Å; A555-F563 HydrophobicContact CB-CE2 3.37Å; A555-F563 HydrophobicContact CB-CZ 3.54Å; C559-F563 WeakPolarHBondContact O-CD2 3.07Å; C559-F563 VanDerWaalsContact O-CE2 3.27Å; C559-F563 WeakPolarHBondContact O-CE2 3.34Å | ||
| 564 | G | 80.9 | Confident | 70.4 | Confident | 54 Ų | 54 | 64 Ų | 64 | 56% | 0.557 | 40% | 0.403 | S | S | * | . | trans | -71.2 | -167.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N516 H518 C566 | N516-G564 WeakPolarHBondContact CB-O 3.21Å; H518-G564 PolarHBondContact CD2-O 3.28Å; H518-G564 PolarHBondContact NE2-O 3.38Å; G564-C566 PolarHBondContact O-N 2.93Å | ||
| 565 | C | 83.6 | Confident | 67.2 | Low | 62 Ų | 62 | 75.2 Ų | 75.2 | 42% | 0.419 | 45% | 0.445 | S | S | . | . | trans | -60.5 | 135.1 | -177.5 | -60.4 | 0 | 0 | 0 | 0 | 114.2 | N516 | N516-C565 CarbonylContact O-C 3.4Å; N516-C565 WeakPolarHBondContact O-CA 3.21Å | ||
| 566 | C | 82 | Confident | 64.5 | Low | 24 Ų | 24 | 81.6 Ų | 81.6 | 16% | 0.162 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 144.1 | 176.6 | -166.4 | 0 | 0 | 0 | 0 | 112.8 | N516 F517 H518 C548 K550 G564 | N516-C566 PolarHBondContact O-N 2.9Å; F517-C566 VanDerWaalsContact C-CB 3.45Å; F517-C566 HydrophobicContact CB-CB 4.17Å; F517-C566 WeakPolarHBondContact O-CB 3.37Å; H518-C566 HydrophobicContact CB-CB 4.34Å; H518-C566 VanDerWaalsContact CE1-CA 3.43Å; H518-C566 WeakPolarHBondContact CE1-CA 3.17Å; H518-C566 WeakPolarHBondContact ND1-CB 3.5Å; H518-C566 PolarHBondContact ND1-SG 2.91Å; H518-C566 PolarHBondContact NE2-N 2.9Å; C548-C566 VanDerWaalsContact SG-SG 3.64Å; K550-C566 WeakPolarHBondContact CB-SG 3.48Å; G564-C566 PolarHBondContact O-N 2.93Å |
| 567 | G | 64.8 | Low | 61.5 | Low | 56 Ų | 56 | 90.3 Ų | 90.3 | 58% | 0.577 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 1.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | T569 | G567-T569 PolarHBondContact O-N 3.06Š|
| 568 | K | 57.8 | Low | 58.4 | Low | 182 Ų | 182 | 93.4 Ų | 93.4 | 79% | 0.791 | 55% | 0.552 | S | S | * | * | trans | -88.1 | 75 | 164.3 | -65.7 | -173.4 | -179 | -177.6 | 0 | 109.5 | ||||
| 569 | T | 44 | Very low | 55.7 | Low | 76 Ų | 76 | 101.1 Ų | 101.1 | 47% | 0.466 | 59% | 0.585 | S | S | . | * | trans | -109.4 | 104.7 | 170.1 | 39.9 | 0 | 0 | 0 | 0 | 109.3 | C551 G567 S571 | C551-T569 HydrophobicContact CB-CG2 4.3Å; G567-T569 PolarHBondContact O-N 3.06Å; T569-S571 PolarHBondContact O-N 2.91Å; T569-S571 PolarHBondContact O-OG 2.81Å | ||
| 570 | D | 39.4 | Very low | 52.9 | Low | 177 Ų | 177 | 108.2 Ų | 108.2 | 95% | 0.947 | 62% | 0.617 | S | S | * | * | trans | -57.6 | 105.7 | 166.2 | -86.2 | -32.4 | 0 | 0 | 0 | 108.8 | ||||
| 571 | S | 32.3 | Very low | 50 | Low | 121 Ų | 121 | 120.1 Ų | 120.1 | 85% | 0.846 | 66% | 0.662 | S | S | * | * | trans | -102.6 | 100.9 | 172.8 | 27.8 | 0 | 0 | 0 | 0 | 108 | T569 | T569-S571 PolarHBondContact O-N 2.91Å; T569-S571 PolarHBondContact O-OG 2.81Å | ||
| 572 | G | 29.3 | Very low | 47.5 | Very low | 69 Ų | 69 | 123.1 Ų | 123.1 | 71% | 0.711 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 157.4 | 103.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 573 | S | 29 | Very low | 45.3 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | trans | 19.9 | 112.9 | 138.9 | 164 | 0 | 0 | 0 | 0 | 116.9 | R575 | S573-R575 PolarHBondContact O-N 2.84Š| ||
| 574 | V | 38.4 | Very low | 43.9 | Very low | 140 Ų | 140 | 124.9 Ų | 124.9 | 85% | 0.848 | 71% | 0.708 | S | S | * | * | trans | -13.7 | 99.9 | 157.4 | -175.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 575 | R | 26.6 | Very low | 43 | Very low | 236 Ų | 236 | 124.8 Ų | 124.8 | 89% | 0.891 | 69% | 0.694 | S | S | * | * | trans | -153.3 | 117.6 | 139 | -104.8 | 173.9 | -169.7 | -164.6 | 2.1 | 108.5 | S573 Q577 | S573-R575 PolarHBondContact O-N 2.84Å; R575-Q577 PolarHBondContact O-N 3.39Å; R575-Q577 VanDerWaalsContact O-N 3.17Å | ||
| 576 | T | 38.4 | Very low | 42.3 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 82% | 0.822 | 70% | 0.699 | S | S | * | * | trans | -40.4 | 109.6 | 172 | 29.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 577 | Q | 28.6 | Very low | 42.3 | Very low | 190 Ų | 190 | 129.2 Ų | 129.2 | 89% | 0.888 | 71% | 0.712 | S | S | * | * | trans | -173.4 | 112 | 143.9 | -103.6 | 166.1 | 54.7 | 0 | 0 | 110.1 | R575 | R575-Q577 PolarHBondContact O-N 3.39Å; R575-Q577 VanDerWaalsContact O-N 3.17Å | ||
| 578 | S | 29 | Very low | 43.1 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | -68.8 | 126 | 175.4 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 579 | K | 30.1 | Very low | 44.4 | Very low | 207 Ų | 207 | 120.6 Ų | 120.6 | 90% | 0.9 | 66% | 0.661 | S | S | * | * | trans | -137 | 77.9 | 154.4 | -81.4 | -170.1 | 172.9 | 170.6 | 0 | 109.7 | R581 | K579-R581 PolarHBondContact O-N 2.88Š| ||
| 580 | H | 31.2 | Very low | 46.4 | Very low | 153 Ų | 153 | 117 Ų | 117 | 71% | 0.708 | 64% | 0.639 | S | S | * | * | trans | -56.7 | 129.9 | 149.6 | -84.8 | -86 | 0 | 0 | 0 | 108.4 | ||||
| 581 | R | 28.8 | Very low | 48.4 | Very low | 251 Ų | 251 | 112.5 Ų | 112.5 | 95% | 0.947 | 61% | 0.614 | S | S | * | * | trans | -82.2 | 99.5 | 139.4 | -86.5 | -170.6 | 175.7 | -169.2 | 0.1 | 105.3 | K579 | K579-R581 PolarHBondContact O-N 2.88Š| ||
| 582 | D | 34.2 | Very low | 51.1 | Low | 94 Ų | 94 | 112.7 Ų | 112.7 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | trans | -51.4 | 144.6 | -179.6 | -73.1 | -43.3 | 0 | 0 | 0 | 112.5 | G584 | D582-G584 VanDerWaalsContact C-N 3.3Å; D582-G584 PolarHBondContact O-N 2.92Å; D582-G584 VanDerWaalsContact O-N 3.1Å | ||
| 583 | P | 40.8 | Very low | 53.9 | Low | 119 Ų | 119 | 113.3 Ų | 113.3 | 77% | 0.773 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -61.2 | 105.6 | 139.8 | 27.8 | -23.1 | 0 | 0 | 0 | 105 | L585 | P583-L585 PolarHBondContact O-N 2.97Š|
| 584 | G | 52.8 | Low | 56.8 | Low | 52 Ų | 52 | 108.4 Ų | 108.4 | 54% | 0.536 | 55% | 0.546 | S | S | . | . | trans | -39.3 | 136.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D582 | D582-G584 VanDerWaalsContact C-N 3.3Å; D582-G584 PolarHBondContact O-N 2.92Å; D582-G584 VanDerWaalsContact O-N 3.1Å | ||
| 585 | L | 61.1 | Low | 59.2 | Low | 52 Ų | 52 | 107.7 Ų | 107.7 | 27% | 0.272 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -46.3 | 151.7 | -172 | -69.5 | 162.3 | 0 | 0 | 0 | 112.7 | P583 K587 E615 L616 I617 | P583-L585 PolarHBondContact O-N 2.97Å; L585-K587 PolarHBondContact O-N 3Å; L585-E615 HydrophobicContact CB-CG 3.57Å; L585-E615 HydrophobicContact CD1-CG 4.15Å; L585-E615 HydrophobicContact CG-CG 4.43Å; L585-L616 VanDerWaalsContact CB-O 3.3Å; L585-L616 WeakPolarHBondContact CB-O 3.45Å; L585-L616 WeakPolarHBondContact CD2-O 3.33Å; L585-I617 HydrophobicContact CD1-CG1 4.03Å |
| 586 | P | 70.4 | Confident | 61.8 | Low | 80 Ų | 80 | 97.2 Ų | 97.2 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -49.9 | 130.5 | -177.2 | -26.2 | 33.5 | 0 | 0 | 0 | 112.5 | L616 | P586-L616 HydrophobicContact CB-CB 4.32Å; P586-L616 HydrophobicContact CB-CD2 4.45Å; P586-L616 WeakPolarHBondContact O-CB 3.42Å; P586-L616 PolarHBondContact O-N 2.74Å |
| 587 | K | 80.9 | Confident | 63.7 | Low | 100 Ų | 100 | 96.6 Ų | 96.6 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130.7 | -180 | -66.4 | -179.7 | -175.3 | 178.1 | 0 | 110.7 | L585 I613 I614 L631 C647 | L585-K587 PolarHBondContact O-N 3Å; K587-I613 HydrophobicContact CB-CG2 3.86Å; K587-I613 HydrophobicContact CD-CG2 4.27Å; K587-I613 HydrophobicContact CG-CG2 4.27Å; K587-I614 CarbonylContact C-O 3.54Å; K587-I614 WeakPolarHBondContact CA-O 2.88Å; K587-L631 HydrophobicContact CD-CD1 3.8Å; K587-L631 HydrophobicContact CG-CD1 4.2Å; K587-C647 HydrophobicContact CB-CB 4.41Å; K587-C647 PolarHBondContact O-N 2.95Å |
| 588 | M | 82.8 | Confident | 66.1 | Low | 21 Ų | 21 | 91.7 Ų | 91.7 | 10% | 0.103 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.8 | -179.4 | -60.6 | -66.6 | -173.9 | 0 | 0 | 109.5 | I613 I614 L616 W626 V644 R645 P646 | M588-I613 CarbonylContact O-C 3.56Å; M588-I613 WeakPolarHBondContact O-CA 3.28Å; M588-I614 HydrophobicContact CB-CB 4.5Å; M588-I614 PolarHBondContact N-O 3.43Å; M588-I614 PolarHBondContact O-N 2.96Å; M588-L616 HydrophobicContact CE-CD2 3.61Å; M588-L616 HydrophobicContact CG-CB 4.33Å; M588-L616 HydrophobicContact CG-CD1 4.28Å; M588-L616 HydrophobicContact CG-CD2 4.45Å; M588-W626 HydrophobicContact CE-CZ3 4.3Å; M588-V644 HydrophobicContact CB-CB 3.87Å; M588-V644 HydrophobicContact CB-CG2 3.83Å; M588-V644 HydrophobicContact CG-CG2 4.09Å; M588-V644 HydrophobicContact SD-CG2 4.47Å; M588-R645 CarbonylContact C-O 3.55Å; M588-R645 VanDerWaalsContact CA-O 3.25Å; M588-R645 WeakPolarHBondContact CA-O 3.1Å; M588-P646 HydrophobicContact CE-CG 4.33Å; M588-P646 VanDerWaalsContact SD-CA 3.58Å; M588-P646 HydrophobicContact SD-CB 4.19Å; M588-P646 HydrophobicContact SD-CG 3.92Å |
| 589 | L | 84.1 | Confident | 68.4 | Low | 36 Ų | 36 | 91 Ų | 91 | 19% | 0.188 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 127.2 | 171 | 176.4 | 65.1 | 0 | 0 | 0 | 109.5 | I591 D612 I613 V644 R645 C647 | L589-I591 PolarHBondContact O-N 2.75Å; L589-D612 WeakPolarHBondContact CA-O 3.25Å; L589-I613 HydrophobicContact CD1-CG1 4.48Å; L589-V644 CarbonylContact O-C 3.5Å; L589-V644 VanDerWaalsContact O-CA 3.3Å; L589-V644 WeakPolarHBondContact O-CA 3.34Å; L589-R645 HydrophobicContact CB-CG 4.23Å; L589-R645 PolarHBondContact N-O 2.96Å; L589-R645 PolarHBondContact O-N 2.86Å; L589-C647 HydrophobicContact CB-CB 4.26Å |
| 590 | V | 85.6 | Confident | 70.8 | Confident | 1 Ų | 1 | 81.5 Ų | 81.5 | 1% | 0.006 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 124.4 | 174.5 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | R592 I608 Q609 T610 G611 D612 I614 V644 | V590-R592 VanDerWaalsContact CG1-O 3.25Å; V590-R592 WeakPolarHBondContact CG1-O 3.39Å; V590-I608 HydrophobicContact CG1-CB 4.17Å; V590-I608 HydrophobicContact CG1-CD1 3.87Å; V590-I608 HydrophobicContact CG1-CG1 4.11Å; V590-I608 HydrophobicContact CG2-CB 4.04Å; V590-I608 HydrophobicContact CG2-CD1 4.19Å; V590-Q609 VanDerWaalsContact CB-O 3.28Å; V590-Q609 WeakPolarHBondContact CB-O 3.37Å; V590-Q609 VanDerWaalsContact CG1-O 3.3Å; V590-Q609 WeakPolarHBondContact CG1-O 3.42Å; V590-T610 WeakPolarHBondContact O-CA 3.4Å; V590-G611 PolarHBondContact O-N 3.47Å; V590-D612 HydrophobicContact CB-CB 4.2Å; V590-D612 HydrophobicContact CG2-CB 3.77Å; V590-D612 WeakPolarHBondContact CG2-O 3.3Å; V590-D612 PolarHBondContact N-O 3.09Å; V590-I614 HydrophobicContact CG2-CD1 3.45Å; V590-I614 VanDerWaalsContact CG2-CD1 3.45Å; V590-I614 HydrophobicContact CG2-CG1 3.71Å; V590-V644 HydrophobicContact CG2-CG1 4.06Å |
| 591 | I | 82.8 | Confident | 72.7 | Confident | 81 Ų | 81 | 79.2 Ų | 79.2 | 42% | 0.415 | 44% | 0.44 | S | S | . | . | trans | -106.9 | -13.5 | 179.5 | 56.1 | 170.6 | 0 | 0 | 0 | 112.5 | L589 T610 A643 R645 | L589-I591 PolarHBondContact O-N 2.75Å; I591-T610 PolarHBondContact O-OG1 3.31Å; I591-A643 VanDerWaalsContact CG1-O 3.25Å; I591-A643 WeakPolarHBondContact CG1-O 3.4Å; I591-A643 PolarHBondContact N-O 2.73Å; I591-R645 HydrophobicContact CG2-CB 4.38Å; I591-R645 HydrophobicContact CG2-CG 3.68Å | ||
| 592 | R | 87.9 | Confident | 74.6 | Confident | 126 Ų | 126 | 71.6 Ų | 71.6 | 48% | 0.475 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -143.2 | 132 | 179.2 | -174.1 | 173.3 | 66.7 | 143.3 | -5.3 | 110.9 | V590 T610 D642 A643 | V590-R592 VanDerWaalsContact CG1-O 3.25Å; V590-R592 WeakPolarHBondContact CG1-O 3.39Å; R592-T610 WeakPolarHBondContact CA-OG1 3.46Å; R592-T610 PolarHBondContact N-OG1 2.97Å; R592-D642 IonicContact CZ-OD1 3.29Å; R592-D642 IonicContact CZ-OD2 3.44Å; R592-D642 IonicContact NH2-OD1 2.82Å; R592-D642 PolarHBondContact NH2-OD1 3.38Å; R592-D642 IonicContact NH2-OD2 3.98Å; R592-D642 PolarHBondContact NH2-OD2 3.37Å; R592-A643 HydrophobicContact CB-CB 4.27Å; R592-A643 PolarHBondContact N-O 2.83Å |
| 593 | N | 88.1 | Confident | 76.7 | Confident | 81 Ų | 81 | 68.5 Ų | 68.5 | 43% | 0.433 | 42% | 0.415 | S | S | . | . | trans | -61.1 | 142.7 | 175 | -63.2 | -23.6 | 0 | 0 | 0 | 111.7 | F595 I608 Q609 T610 | N593-F595 HydrophobicContact CB-CE2 3.74Å; N593-F595 HydrophobicContact CB-CZ 3.82Å; N593-I608 CarbonylContact C-O 3.56Å; N593-I608 WeakPolarHBondContact CA-O 3.31Å; N593-Q609 VanDerWaalsContact OD1-CA 3.31Å; N593-Q609 WeakPolarHBondContact OD1-CA 3.21Å; N593-T610 PolarHBondContact N-OG1 2.95Å; N593-T610 PolarHBondContact OD1-N 2.88Å; N593-T610 PolarHBondContact OD1-OG1 3.12Å | ||
| 594 | Y | 90.7 | Very high | 78.7 | Confident | 14 Ų | 14 | 67.4 Ų | 67.4 | 6% | 0.055 | 41% | 0.408 | C | S | . | . | B | Isolated β-bridge | trans | -145.6 | 130.2 | 170.1 | 164 | -98.4 | 0 | 0 | 0 | 109.1 | G596 V597 P598 A605 L606 S607 I608 W625 F639 P640 | Y594-G596 VanDerWaalsContact OH-C 3.28Å; Y594-G596 WeakPolarHBondContact OH-CA 3.46Å; Y594-V597 WeakPolarHBondContact CD2-O 3.43Å; Y594-V597 VanDerWaalsContact CE2-C 3.44Å; Y594-V597 VanDerWaalsContact CE2-N 3.35Å; Y594-V597 VanDerWaalsContact CE2-O 3.26Å; Y594-V597 WeakPolarHBondContact CE2-O 3.46Å; Y594-P598 WeakPolarHBondContact CE2-O 3.24Å; Y594-P598 PolarHBondContact OH-O 3.49Å; Y594-A605 HydrophobicContact CE1-CB 4.27Å; Y594-L606 WeakPolarHBondContact CD1-O 3.49Å; Y594-L606 WeakPolarHBondContact CE1-O 3.36Å; Y594-S607 CarbonylContact O-C 3.33Å; Y594-S607 VanDerWaalsContact O-CA 3.23Å; Y594-S607 WeakPolarHBondContact O-CA 3.46Å; Y594-I608 HydrophobicContact CD1-CG1 4.25Å; Y594-I608 HydrophobicContact CG-CG1 4.49Å; Y594-I608 PolarHBondContact N-O 3.46Å; Y594-I608 PolarHBondContact O-N 3.49Å; Y594-W625 HydrophobicContact CE1-CZ3 4.07Å; Y594-W625 AromaticContact CE2-CH2 3.71Å; Y594-W625 HydrophobicContact CE2-CH2 3.71Å; Y594-W625 HydrophobicContact CE2-CZ3 4.01Å; Y594-W625 AromaticContact CZ-CH2 3.61Å; Y594-W625 AromaticContact CZ-CZ3 3.52Å; Y594-W625 VanDerWaalsContact OH-CH2 3.25Å; Y594-W625 WeakPolarHBondContact OH-CH2 3.28Å; Y594-W625 VanDerWaalsContact OH-CZ3 3.25Å; Y594-W625 WeakPolarHBondContact OH-CZ3 3.25Å; Y594-F639 HydrophobicContact CD1-CB 4.4Å; Y594-P640 HydrophobicContact CD1-CG 4.45Å; Y594-P640 HydrophobicContact CD2-CG 3.76Å; Y594-P640 HydrophobicContact CE2-CG 4Å; Y594-P640 HydrophobicContact CG-CG 4Å |
| 595 | F | 89.4 | Confident | 80.3 | Confident | 125 Ų | 125 | 66.7 Ų | 66.7 | 55% | 0.548 | 40% | 0.398 | S | S | . | . | trans | -118.3 | 33.2 | -172.1 | -56.9 | -74.3 | 0 | 0 | 0 | 112.2 | N593 Q609 | N593-F595 HydrophobicContact CB-CE2 3.74Å; N593-F595 HydrophobicContact CB-CZ 3.82Å; F595-Q609 HydrophobicContact CE1-CG 4.15Å | ||
| 596 | G | 80.8 | Confident | 81.8 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 17% | 0.165 | 39% | 0.386 | C | S | . | . | S | Bend | trans | 88.2 | 8.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y594 P598 | Y594-G596 VanDerWaalsContact OH-C 3.28Å; Y594-G596 WeakPolarHBondContact OH-CA 3.46Å; G596-P598 CarbonylContact O-C 3.17Å |
| 597 | V | 76.9 | Confident | 82.7 | Confident | 121 Ų | 121 | 63.3 Ų | 63.3 | 73% | 0.733 | 38% | 0.38 | S | S | * | . | trans | -129.5 | 125.4 | 179.9 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | Y594 | Y594-V597 WeakPolarHBondContact CD2-O 3.43Å; Y594-V597 VanDerWaalsContact CE2-C 3.44Å; Y594-V597 VanDerWaalsContact CE2-N 3.35Å; Y594-V597 VanDerWaalsContact CE2-O 3.26Å; Y594-V597 WeakPolarHBondContact CE2-O 3.46Å | ||
| 598 | P | 78.8 | Confident | 83.2 | Confident | 88 Ų | 88 | 58.6 Ų | 58.6 | 57% | 0.571 | 36% | 0.359 | S | S | * | . | S | Bend | cis | -66.3 | 153.7 | -2.9 | 25.6 | -31.1 | 0 | 0 | 0 | 112.7 | Y594 G596 W625 | Y594-P598 WeakPolarHBondContact CE2-O 3.24Å; Y594-P598 PolarHBondContact OH-O 3.49Å; G596-P598 CarbonylContact O-C 3.17Å; P598-W625 HydrophobicContact CG-CH2 4.31Å; P598-W625 HydrophobicContact CG-CZ2 4.01Å; P598-W625 WeakPolarHBondContact O-CH2 3.42Å |
| 599 | S | 77.3 | Confident | 83.5 | Confident | 92 Ų | 92 | 62.9 Ų | 62.9 | 64% | 0.643 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 137.6 | 179.9 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 600 | P | 81.5 | Confident | 83.5 | Confident | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.058 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 143 | 175.6 | 8.1 | -0.5 | 0 | 0 | 0 | 111.2 | S602 A605 W625 F638 | P600-S602 VanDerWaalsContact C-N 3.32Å; P600-A605 VanDerWaalsContact CD-CB 3.48Å; P600-A605 HydrophobicContact CG-CB 3.92Å; P600-W625 HydrophobicContact CB-CD2 3.89Å; P600-W625 HydrophobicContact CB-CE3 3.78Å; P600-W625 HydrophobicContact CB-CG 4.37Å; P600-W625 HydrophobicContact CB-CZ3 4.17Å; P600-W625 HydrophobicContact CG-CE3 4.01Å; P600-W625 HydrophobicContact CG-CZ3 4Å; P600-F638 HydrophobicContact CB-CB 3.66Å; P600-F638 HydrophobicContact CB-CG 4.24Å; P600-F638 HydrophobicContact CG-CB 3.48Å; P600-F638 VanDerWaalsContact CG-CB 3.48Å; P600-F638 HydrophobicContact CG-CG 4.41Å |
| 601 | A | 71.6 | Confident | 82.9 | Confident | 105 Ų | 105 | 67.4 Ų | 67.4 | 87% | 0.868 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -21.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 602 | S | 68.4 | Low | 83 | Confident | 91 Ų | 91 | 65.1 Ų | 65.1 | 64% | 0.636 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 5.2 | -168.9 | -51.2 | 0 | 0 | 0 | 0 | 114.4 | P600 F638 | P600-S602 VanDerWaalsContact C-N 3.32Å; S602-F638 VanDerWaalsContact O-CE2 3.26Å; S602-F638 WeakPolarHBondContact O-CE2 3.42Å |
| 603 | G | 78.1 | Confident | 82.8 | Confident | 28 Ų | 28 | 62.1 Ų | 62.1 | 29% | 0.289 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 156.4 | -170.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 604 | P | 83.8 | Confident | 82.8 | Confident | 96 Ų | 96 | 58.2 Ų | 58.2 | 62% | 0.623 | 38% | 0.379 | S | S | * | . | trans | -67.7 | 138.9 | -176.8 | 27.9 | -33.9 | 0 | 0 | 0 | 111.8 | G637 F638 | P604-G637 WeakPolarHBondContact O-CA 3.32Å; P604-F638 PolarHBondContact O-N 3.24Å | ||
| 605 | A | 86.4 | Confident | 82.7 | Confident | 38 Ų | 38 | 59.5 Ų | 59.5 | 31% | 0.314 | 39% | 0.386 | S | S | . | . | B | Isolated β-bridge | trans | -74.3 | 136.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y594 P600 | Y594-A605 HydrophobicContact CE1-CB 4.27Å; P600-A605 VanDerWaalsContact CD-CB 3.48Å; P600-A605 HydrophobicContact CG-CB 3.92Å |
| 606 | L | 91.1 | Very high | 82.4 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.026 | 36% | 0.363 | C | S | . | . | trans | -97.6 | 115.8 | 175.2 | -175 | 61.7 | 0 | 0 | 0 | 109.4 | Y594 I608 G628 I630 E635 F638 F639 | Y594-L606 WeakPolarHBondContact CD1-O 3.49Å; Y594-L606 WeakPolarHBondContact CE1-O 3.36Å; L606-I608 HydrophobicContact CB-CG2 4.4Å; L606-I608 HydrophobicContact CD2-CG2 3.95Å; L606-I608 HydrophobicContact CG-CG2 3.77Å; L606-I608 PolarHBondContact O-N 2.92Å; L606-G628 WeakPolarHBondContact CD2-O 3.25Å; L606-I630 HydrophobicContact CD1-CD1 3.94Å; L606-I630 HydrophobicContact CD1-CG1 4.13Å; L606-I630 HydrophobicContact CD2-CD1 4.47Å; L606-I630 HydrophobicContact CD2-CG1 4.01Å; L606-I630 HydrophobicContact CG-CD1 4.12Å; L606-I630 HydrophobicContact CG-CG1 4.2Å; L606-E635 HydrophobicContact CD1-CB 3.74Å; L606-E635 WeakPolarHBondContact CD1-O 3.35Å; L606-F638 PolarHBondContact N-O 3.34Å; L606-F639 HydrophobicContact CD2-CD1 3.99Å | ||
| 607 | S | 90.1 | Very high | 82.4 | Confident | 56 Ų | 56 | 56.3 Ų | 56.3 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | trans | -74.8 | 118.8 | 173.7 | -67 | 0 | 0 | 0 | 0 | 109.7 | Y594 I630 | Y594-S607 CarbonylContact O-C 3.33Å; Y594-S607 VanDerWaalsContact O-CA 3.23Å; Y594-S607 WeakPolarHBondContact O-CA 3.46Å; S607-I630 VanDerWaalsContact O-CD1 3.3Å; S607-I630 WeakPolarHBondContact O-CD1 3.21Å | ||
| 608 | I | 90.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -121.5 | 140.1 | -174.5 | 59.3 | 168.5 | 0 | 0 | 0 | 110.4 | V590 N593 Y594 L606 I614 I630 F639 A643 V644 | V590-I608 HydrophobicContact CG1-CB 4.17Å; V590-I608 HydrophobicContact CG1-CD1 3.87Å; V590-I608 HydrophobicContact CG1-CG1 4.11Å; V590-I608 HydrophobicContact CG2-CB 4.04Å; V590-I608 HydrophobicContact CG2-CD1 4.19Å; N593-I608 CarbonylContact C-O 3.56Å; N593-I608 WeakPolarHBondContact CA-O 3.31Å; Y594-I608 HydrophobicContact CD1-CG1 4.25Å; Y594-I608 HydrophobicContact CG-CG1 4.49Å; Y594-I608 PolarHBondContact N-O 3.46Å; Y594-I608 PolarHBondContact O-N 3.49Å; L606-I608 HydrophobicContact CB-CG2 4.4Å; L606-I608 HydrophobicContact CD2-CG2 3.95Å; L606-I608 HydrophobicContact CG-CG2 3.77Å; L606-I608 PolarHBondContact O-N 2.92Å; I608-I614 HydrophobicContact CB-CD1 4.27Å; I608-I614 HydrophobicContact CD1-CD1 4.33Å; I608-I614 HydrophobicContact CG2-CD1 3.56Å; I608-I630 HydrophobicContact CG2-CD1 4.11Å; I608-I630 HydrophobicContact CG2-CG1 4.36Å; I608-F639 HydrophobicContact CD1-CB 3.79Å; I608-F639 HydrophobicContact CD1-CD2 4.06Å; I608-F639 HydrophobicContact CD1-CG 4.14Å; I608-F639 HydrophobicContact CG1-CB 4.41Å; I608-F639 HydrophobicContact CG2-CB 4.28Å; I608-A643 HydrophobicContact CD1-CB 3.82Å; I608-V644 HydrophobicContact CD1-CG1 4.35Å |
| 609 | Q | 88.9 | Confident | 82.2 | Confident | 111 Ų | 111 | 52 Ų | 52 | 52% | 0.519 | 35% | 0.349 | S | S | . | . | trans | -116.7 | 144.3 | 177.3 | -63.8 | -174.2 | -3.5 | 0 | 0 | 111.2 | V590 N593 F595 G611 D612 | V590-Q609 VanDerWaalsContact CB-O 3.28Å; V590-Q609 WeakPolarHBondContact CB-O 3.37Å; V590-Q609 VanDerWaalsContact CG1-O 3.3Å; V590-Q609 WeakPolarHBondContact CG1-O 3.42Å; N593-Q609 VanDerWaalsContact OD1-CA 3.31Å; N593-Q609 WeakPolarHBondContact OD1-CA 3.21Å; F595-Q609 HydrophobicContact CE1-CG 4.15Å; Q609-G611 PolarHBondContact O-N 3.36Å; Q609-D612 PolarHBondContact N-OD2 2.82Å; Q609-D612 VanDerWaalsContact O-CB 3.25Å; Q609-D612 WeakPolarHBondContact O-CB 3.48Å; Q609-D612 VanDerWaalsContact O-CG 3.3Å; Q609-D612 PolarHBondContact O-N 2.77Å | ||
| 610 | T | 85.3 | Confident | 81.9 | Confident | 82 Ų | 82 | 51.5 Ų | 51.5 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 124.4 | 177.7 | -62 | 0 | 0 | 0 | 0 | 109.9 | V590 I591 R592 N593 | V590-T610 WeakPolarHBondContact O-CA 3.4Å; I591-T610 PolarHBondContact O-OG1 3.31Å; R592-T610 WeakPolarHBondContact CA-OG1 3.46Å; R592-T610 PolarHBondContact N-OG1 2.97Å; N593-T610 PolarHBondContact N-OG1 2.95Å; N593-T610 PolarHBondContact OD1-N 2.88Å; N593-T610 PolarHBondContact OD1-OG1 3.12Å |
| 611 | G | 72.4 | Confident | 80.8 | Confident | 50 Ų | 50 | 58.7 Ų | 58.7 | 52% | 0.515 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.7 | -18.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V590 Q609 | V590-G611 PolarHBondContact O-N 3.47Å; Q609-G611 PolarHBondContact O-N 3.36Å |
| 612 | D | 85.9 | Confident | 80.4 | Confident | 34 Ų | 34 | 62.4 Ų | 62.4 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | trans | -64.8 | 147.8 | 174.3 | -73.6 | -29.8 | 0 | 0 | 0 | 111.5 | L589 V590 Q609 I630 | L589-D612 WeakPolarHBondContact CA-O 3.25Å; V590-D612 HydrophobicContact CB-CB 4.2Å; V590-D612 HydrophobicContact CG2-CB 3.77Å; V590-D612 WeakPolarHBondContact CG2-O 3.3Å; V590-D612 PolarHBondContact N-O 3.09Å; Q609-D612 PolarHBondContact N-OD2 2.82Å; Q609-D612 VanDerWaalsContact O-CB 3.25Å; Q609-D612 WeakPolarHBondContact O-CB 3.48Å; Q609-D612 VanDerWaalsContact O-CG 3.3Å; Q609-D612 PolarHBondContact O-N 2.77Å; D612-I630 HydrophobicContact CB-CG2 4.24Å | ||
| 613 | I | 83.7 | Confident | 80.8 | Confident | 62 Ų | 62 | 60 Ų | 60 | 32% | 0.318 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 118.8 | 171.8 | -54.4 | 178.9 | 0 | 0 | 0 | 108.6 | K587 M588 L589 L631 | K587-I613 HydrophobicContact CB-CG2 3.86Å; K587-I613 HydrophobicContact CD-CG2 4.27Å; K587-I613 HydrophobicContact CG-CG2 4.27Å; M588-I613 CarbonylContact O-C 3.56Å; M588-I613 WeakPolarHBondContact O-CA 3.28Å; L589-I613 HydrophobicContact CD1-CG1 4.48Å; I613-L631 HydrophobicContact CB-CD1 4.13Å; I613-L631 HydrophobicContact CG2-CD1 3.64Å; I613-L631 HydrophobicContact CG2-CG 4.48Å; I613-L631 WeakPolarHBondContact O-CB 3.2Å; I613-L631 PolarHBondContact O-N 2.91Å |
| 614 | I | 86.6 | Confident | 81 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.3 | 179.6 | -58.4 | -177.7 | 0 | 0 | 0 | 109.4 | K587 M588 V590 I608 R629 I630 F639 V644 | K587-I614 CarbonylContact C-O 3.54Å; K587-I614 WeakPolarHBondContact CA-O 2.88Å; M588-I614 HydrophobicContact CB-CB 4.5Å; M588-I614 PolarHBondContact N-O 3.43Å; M588-I614 PolarHBondContact O-N 2.96Å; V590-I614 HydrophobicContact CG2-CD1 3.45Å; V590-I614 VanDerWaalsContact CG2-CD1 3.45Å; V590-I614 HydrophobicContact CG2-CG1 3.71Å; I608-I614 HydrophobicContact CB-CD1 4.27Å; I608-I614 HydrophobicContact CD1-CD1 4.33Å; I608-I614 HydrophobicContact CG2-CD1 3.56Å; I614-R629 CarbonylContact C-O 3.6Å; I614-R629 WeakPolarHBondContact CA-O 3.3Å; I614-I630 HydrophobicContact CG1-CG1 4.39Å; I614-F639 HydrophobicContact CD1-CD1 4.05Å; I614-F639 HydrophobicContact CD1-CD2 4.23Å; I614-F639 HydrophobicContact CD1-CE1 3.98Å; I614-F639 HydrophobicContact CD1-CE2 4.2Å; I614-F639 HydrophobicContact CD1-CG 4.18Å; I614-F639 HydrophobicContact CD1-CZ 4.05Å; I614-F639 HydrophobicContact CG2-CE1 3.67Å; I614-F639 HydrophobicContact CG2-CZ 3.91Å; I614-V644 HydrophobicContact CD1-CG1 4.03Å |
| 615 | E | 89 | Confident | 81 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 19% | 0.192 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 114.4 | 166.5 | -175.7 | 170.1 | -110.6 | 0 | 0 | 108.8 | L585 I617 G628 R629 L631 | L585-E615 HydrophobicContact CB-CG 3.57Å; L585-E615 HydrophobicContact CD1-CG 4.15Å; L585-E615 HydrophobicContact CG-CG 4.43Å; E615-I617 PolarHBondContact O-N 2.65Å; E615-G628 CarbonylContact O-C 3.54Å; E615-G628 WeakPolarHBondContact O-CA 3.31Å; E615-R629 PolarHBondContact N-O 3.28Å; E615-R629 PolarHBondContact O-N 2.91Å; E615-L631 HydrophobicContact CB-CD2 3.79Å; E615-L631 HydrophobicContact CB-CG 4.16Å; E615-L631 HydrophobicContact CG-CD2 4.48Å |
| 616 | L | 82.8 | Confident | 81.2 | Confident | 16 Ų | 16 | 60 Ų | 60 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 111.9 | -167.7 | -167.6 | 73.9 | 0 | 0 | 0 | 111.4 | L585 P586 M588 A619 W626 F639 | L585-L616 VanDerWaalsContact CB-O 3.3Å; L585-L616 WeakPolarHBondContact CB-O 3.45Å; L585-L616 WeakPolarHBondContact CD2-O 3.33Å; P586-L616 HydrophobicContact CB-CB 4.32Å; P586-L616 HydrophobicContact CB-CD2 4.45Å; P586-L616 WeakPolarHBondContact O-CB 3.42Å; P586-L616 PolarHBondContact O-N 2.74Å; M588-L616 HydrophobicContact CE-CD2 3.61Å; M588-L616 HydrophobicContact CG-CB 4.33Å; M588-L616 HydrophobicContact CG-CD1 4.28Å; M588-L616 HydrophobicContact CG-CD2 4.45Å; L616-A619 HydrophobicContact CD1-CB 4.31Å; L616-A619 HydrophobicContact CD2-CB 3.58Å; L616-A619 HydrophobicContact CG-CB 4.09Å; L616-W626 HydrophobicContact CD1-CB 4.12Å; L616-W626 HydrophobicContact CD1-CD2 4.43Å; L616-W626 HydrophobicContact CD1-CE3 3.88Å; L616-F639 HydrophobicContact CD1-CZ 3.8Å |
| 617 | I | 82 | Confident | 81 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 30% | 0.297 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -43 | -176.7 | -64.5 | 169.6 | 0 | 0 | 0 | 111.2 | L585 E615 Q627 R629 A636 | L585-I617 HydrophobicContact CD1-CG1 4.03Å; E615-I617 PolarHBondContact O-N 2.65Å; I617-Q627 WeakPolarHBondContact CA-O 3.34Å; I617-Q627 PolarHBondContact N-O 3.38Å; I617-R629 HydrophobicContact CD1-CB 4Å; I617-A636 HydrophobicContact CD1-CB 4.37Å |
| 618 | C | 75.8 | Confident | 80.9 | Confident | 70 Ų | 70 | 60 Ų | 60 | 47% | 0.473 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 129 | 179.9 | -173 | 0 | 0 | 0 | 0 | 110.1 | Q627 | C618-Q627 HydrophobicContact CB-CB 4.11Å; C618-Q627 PolarHBondContact N-O 2.69Å; C618-Q627 PolarHBondContact O-N 3.19Å |
| 619 | A | 74.1 | Confident | 80.9 | Confident | 47 Ų | 47 | 64.6 Ų | 64.6 | 39% | 0.388 | 35% | 0.354 | S | S | . | . | trans | -134.7 | 117.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L616 W626 | L616-A619 HydrophobicContact CD1-CB 4.31Å; L616-A619 HydrophobicContact CD2-CB 3.58Å; L616-A619 HydrophobicContact CG-CB 4.09Å; A619-W626 HydrophobicContact CB-CD2 3.69Å; A619-W626 HydrophobicContact CB-CE3 4.22Å; A619-W626 HydrophobicContact CB-CG 3.86Å; A619-W626 HydrophobicContact CB-CZ2 4.33Å | ||
| 620 | D | 71.2 | Confident | 80.8 | Confident | 82 Ų | 82 | 59.5 Ų | 59.5 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | trans | -102 | 125.6 | 169.3 | 176.9 | 5 | 0 | 0 | 0 | 108.1 | H622 S623 W626 | D620-H622 PolarHBondContact O-N 3.22Å; D620-H622 IonicContact OD1-CG 2.98Å; D620-H622 PolarHBondContact OD1-N 2.81Å; D620-H622 IonicContact OD1-ND1 3.09Å; D620-H622 PolarHBondContact OD1-ND1 3.22Å; D620-S623 PolarHBondContact O-N 2.83Å; D620-S623 VanDerWaalsContact O-N 3.12Å; D620-W626 PolarHBondContact O-NE1 3.33Å | ||
| 621 | L | 58.8 | Low | 80.5 | Confident | 161 Ų | 161 | 57.4 Ų | 57.4 | 84% | 0.843 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.5 | -179.7 | -71.7 | 166.6 | 0 | 0 | 0 | 112.8 | ||
| 622 | H | 63.3 | Low | 80.4 | Confident | 182 Ų | 182 | 59.2 Ų | 59.2 | 84% | 0.843 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -2.6 | 176.5 | -53.2 | 91.6 | 0 | 0 | 0 | 112.8 | D620 | D620-H622 PolarHBondContact O-N 3.22Å; D620-H622 IonicContact OD1-CG 2.98Å; D620-H622 PolarHBondContact OD1-N 2.81Å; D620-H622 IonicContact OD1-ND1 3.09Å; D620-H622 PolarHBondContact OD1-ND1 3.22Å |
| 623 | S | 76 | Confident | 80.1 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 28% | 0.28 | 33% | 0.334 | S | S | . | . | trans | -106.7 | 135.2 | 178.7 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | D620 W625 W626 | D620-S623 PolarHBondContact O-N 2.83Å; D620-S623 VanDerWaalsContact O-N 3.12Å; S623-W625 PolarHBondContact O-N 3.22Å; S623-W625 PolarHBondContact OG-N 3.19Å; S623-W625 VanDerWaalsContact OG-N 3.12Å; S623-W625 PolarHBondContact OG-O 3.35Å; S623-W626 PolarHBondContact O-NE1 3.38Å | ||
| 624 | A | 82.3 | Confident | 80 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 54% | 0.537 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -74.2 | -6.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P640 S641 | A624-P640 WeakPolarHBondContact O-CA 3.4Å; A624-S641 PolarHBondContact O-N 2.96Å; A624-S641 PolarHBondContact O-OG 2.96Å |
| 625 | W | 84.2 | Confident | 79.9 | Confident | 56 Ų | 56 | 70 Ų | 70 | 21% | 0.212 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121.2 | -176.1 | -67.4 | 95.5 | 0 | 0 | 0 | 110.9 | Y594 P598 P600 S623 F638 F639 P640 | Y594-W625 HydrophobicContact CE1-CZ3 4.07Å; Y594-W625 AromaticContact CE2-CH2 3.71Å; Y594-W625 HydrophobicContact CE2-CH2 3.71Å; Y594-W625 HydrophobicContact CE2-CZ3 4.01Å; Y594-W625 AromaticContact CZ-CH2 3.61Å; Y594-W625 AromaticContact CZ-CZ3 3.52Å; Y594-W625 VanDerWaalsContact OH-CH2 3.25Å; Y594-W625 WeakPolarHBondContact OH-CH2 3.28Å; Y594-W625 VanDerWaalsContact OH-CZ3 3.25Å; Y594-W625 WeakPolarHBondContact OH-CZ3 3.25Å; P598-W625 HydrophobicContact CG-CH2 4.31Å; P598-W625 HydrophobicContact CG-CZ2 4.01Å; P598-W625 WeakPolarHBondContact O-CH2 3.42Å; P600-W625 HydrophobicContact CB-CD2 3.89Å; P600-W625 HydrophobicContact CB-CE3 3.78Å; P600-W625 HydrophobicContact CB-CG 4.37Å; P600-W625 HydrophobicContact CB-CZ3 4.17Å; P600-W625 HydrophobicContact CG-CE3 4.01Å; P600-W625 HydrophobicContact CG-CZ3 4Å; S623-W625 PolarHBondContact O-N 3.22Å; S623-W625 PolarHBondContact OG-N 3.19Å; S623-W625 VanDerWaalsContact OG-N 3.12Å; S623-W625 PolarHBondContact OG-O 3.35Å; W625-F638 HydrophobicContact CB-CD1 4.37Å; W625-F638 HydrophobicContact CE3-CB 4.32Å; W625-F639 VanDerWaalsContact CE3-C 3.49Å; W625-P640 HydrophobicContact CE3-CG 4.41Å; W625-P640 HydrophobicContact CH2-CG 3.89Å; W625-P640 HydrophobicContact CZ3-CG 3.74Å |
| 626 | W | 90.3 | Very high | 79.8 | Confident | 42 Ų | 42 | 70.6 Ų | 70.6 | 16% | 0.159 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 154.5 | 175.7 | -67.2 | -7.8 | 0 | 0 | 0 | 110.4 | M588 L616 A619 D620 S623 F638 F639 V644 | M588-W626 HydrophobicContact CE-CZ3 4.3Å; L616-W626 HydrophobicContact CD1-CB 4.12Å; L616-W626 HydrophobicContact CD1-CD2 4.43Å; L616-W626 HydrophobicContact CD1-CE3 3.88Å; A619-W626 HydrophobicContact CB-CD2 3.69Å; A619-W626 HydrophobicContact CB-CE3 4.22Å; A619-W626 HydrophobicContact CB-CG 3.86Å; A619-W626 HydrophobicContact CB-CZ2 4.33Å; D620-W626 PolarHBondContact O-NE1 3.33Å; S623-W626 PolarHBondContact O-NE1 3.38Å; W626-F638 CarbonylContact O-C 3.57Å; W626-F638 VanDerWaalsContact O-CA 3.29Å; W626-F638 WeakPolarHBondContact O-CA 3.37Å; W626-F639 HydrophobicContact CB-CE1 4.46Å; W626-F639 HydrophobicContact CB-CE2 4.2Å; W626-F639 HydrophobicContact CB-CZ 4Å; W626-F639 PolarHBondContact N-O 2.94Å; W626-F639 WeakPolarHBondContact O-CD1 3.09Å; W626-F639 PolarHBondContact O-N 2.91Å; W626-V644 HydrophobicContact CE3-CG2 4.21Å; W626-V644 HydrophobicContact CZ3-CG2 4.14Å |
| 627 | Q | 88.8 | Confident | 80.1 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 28% | 0.28 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 136.1 | 177.9 | -163.9 | 179.7 | 13.7 | 0 | 0 | 109.6 | I617 C618 F638 | I617-Q627 WeakPolarHBondContact CA-O 3.34Å; I617-Q627 PolarHBondContact N-O 3.38Å; C618-Q627 HydrophobicContact CB-CB 4.11Å; C618-Q627 PolarHBondContact N-O 2.69Å; C618-Q627 PolarHBondContact O-N 3.19Å; Q627-F638 HydrophobicContact CB-CD1 4.04Å; Q627-F638 HydrophobicContact CB-CE1 3.85Å; Q627-F638 HydrophobicContact CB-CZ 4.18Å; Q627-F638 HydrophobicContact CG-CD1 4.49Å; Q627-F638 HydrophobicContact CG-CD2 4.46Å; Q627-F638 HydrophobicContact CG-CE1 4.32Å; Q627-F638 HydrophobicContact CG-CE2 4.26Å; Q627-F638 HydrophobicContact CG-CZ 4.19Å |
| 628 | G | 87.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | -177.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | L606 E615 A636 G637 | L606-G628 WeakPolarHBondContact CD2-O 3.25Å; E615-G628 CarbonylContact O-C 3.54Å; E615-G628 WeakPolarHBondContact O-CA 3.31Å; G628-A636 VanDerWaalsContact O-CA 3.31Å; G628-A636 WeakPolarHBondContact O-CA 3.21Å; G628-G637 PolarHBondContact N-O 3.48Å; G628-G637 PolarHBondContact O-N 3.07Å; G628-G637 VanDerWaalsContact O-N 3.17Å |
| 629 | R | 90.8 | Very high | 81.2 | Confident | 98 Ų | 98 | 65.2 Ų | 65.2 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 126.7 | -177 | -170.4 | -178.5 | -42.4 | -175.2 | 9.6 | 110.8 | I614 E615 I617 L631 K634 E635 A636 | I614-R629 CarbonylContact C-O 3.6Å; I614-R629 WeakPolarHBondContact CA-O 3.3Å; E615-R629 PolarHBondContact N-O 3.28Å; E615-R629 PolarHBondContact O-N 2.91Å; I617-R629 HydrophobicContact CD1-CB 4Å; R629-L631 PolarHBondContact O-N 3.42Å; R629-K634 WeakPolarHBondContact CG-O 3.46Å; R629-E635 CarbonylContact C-O 3.51Å; R629-E635 VanDerWaalsContact CA-O 3.27Å; R629-E635 WeakPolarHBondContact CA-O 3.25Å; R629-E635 WeakPolarHBondContact CG-O 3.36Å; R629-A636 HydrophobicContact CB-CB 4.21Å; R629-A636 HydrophobicContact CG-CB 4.14Å |
| 630 | I | 85.8 | Confident | 81.9 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 125.8 | 176.3 | -55.8 | 175.3 | 0 | 0 | 0 | 108.1 | L606 S607 I608 D612 I614 S632 T633 K634 E635 | L606-I630 HydrophobicContact CD1-CD1 3.94Å; L606-I630 HydrophobicContact CD1-CG1 4.13Å; L606-I630 HydrophobicContact CD2-CD1 4.47Å; L606-I630 HydrophobicContact CD2-CG1 4.01Å; L606-I630 HydrophobicContact CG-CD1 4.12Å; L606-I630 HydrophobicContact CG-CG1 4.2Å; S607-I630 VanDerWaalsContact O-CD1 3.3Å; S607-I630 WeakPolarHBondContact O-CD1 3.21Å; I608-I630 HydrophobicContact CG2-CD1 4.11Å; I608-I630 HydrophobicContact CG2-CG1 4.36Å; D612-I630 HydrophobicContact CB-CG2 4.24Å; I614-I630 HydrophobicContact CG1-CG1 4.39Å; I630-S632 VanDerWaalsContact C-N 3.31Å; I630-S632 VanDerWaalsContact CG2-OG 3.23Å; I630-S632 WeakPolarHBondContact CG2-OG 3.17Å; I630-S632 PolarHBondContact O-N 3.11Å; I630-T633 WeakPolarHBondContact CB-OG1 3.33Å; I630-T633 HydrophobicContact CG2-CG2 4.47Å; I630-K634 WeakPolarHBondContact O-CA 3.39Å; I630-K634 PolarHBondContact O-N 2.75Å; I630-E635 PolarHBondContact N-O 3.27Å |
| 631 | L | 78.4 | Confident | 82.6 | Confident | 39 Ų | 39 | 61 Ų | 61 | 20% | 0.204 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -31.4 | -174.8 | -77 | 178.7 | 0 | 0 | 0 | 113.3 | K587 I613 E615 R629 K634 | K587-L631 HydrophobicContact CD-CD1 3.8Å; K587-L631 HydrophobicContact CG-CD1 4.2Å; I613-L631 HydrophobicContact CB-CD1 4.13Å; I613-L631 HydrophobicContact CG2-CD1 3.64Å; I613-L631 HydrophobicContact CG2-CG 4.48Å; I613-L631 WeakPolarHBondContact O-CB 3.2Å; I613-L631 PolarHBondContact O-N 2.91Å; E615-L631 HydrophobicContact CB-CD2 3.79Å; E615-L631 HydrophobicContact CB-CG 4.16Å; E615-L631 HydrophobicContact CG-CD2 4.48Å; R629-L631 PolarHBondContact O-N 3.42Å; L631-K634 WeakPolarHBondContact O-CE 3.33Å; L631-K634 PolarHBondContact O-NZ 2.99Å |
| 632 | S | 71.3 | Confident | 83.9 | Confident | 87 Ų | 87 | 58 Ų | 58 | 61% | 0.608 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -48.6 | -179.3 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | I630 | I630-S632 VanDerWaalsContact C-N 3.31Å; I630-S632 VanDerWaalsContact CG2-OG 3.23Å; I630-S632 WeakPolarHBondContact CG2-OG 3.17Å; I630-S632 PolarHBondContact O-N 3.11Å |
| 633 | T | 79.7 | Confident | 84.9 | Confident | 78 Ų | 78 | 49.4 Ų | 49.4 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -15.7 | -176.2 | 65 | 0 | 0 | 0 | 0 | 113.7 | I630 E635 | I630-T633 WeakPolarHBondContact CB-OG1 3.33Å; I630-T633 HydrophobicContact CG2-CG2 4.47Å; T633-E635 PolarHBondContact O-N 2.98Å; T633-E635 PolarHBondContact OG1-N 3.09Å |
| 634 | K | 81.9 | Confident | 85.3 | Confident | 132 Ų | 132 | 48.1 Ų | 48.1 | 57% | 0.574 | 26% | 0.259 | S | S | * | . | trans | 62.8 | 6.7 | -172.9 | -55.2 | -57.2 | -172.6 | -161.1 | 0 | 115.1 | R629 I630 L631 | R629-K634 WeakPolarHBondContact CG-O 3.46Å; I630-K634 WeakPolarHBondContact O-CA 3.39Å; I630-K634 PolarHBondContact O-N 2.75Å; L631-K634 WeakPolarHBondContact O-CE 3.33Å; L631-K634 PolarHBondContact O-NZ 2.99Å | ||
| 635 | E | 82.9 | Confident | 85.1 | Confident | 114 Ų | 114 | 50.7 Ų | 50.7 | 53% | 0.533 | 26% | 0.255 | S | S | . | . | trans | -67.4 | 139.2 | 174.1 | -66.7 | -175.5 | 166.2 | 0 | 0 | 110.8 | L606 R629 I630 T633 | L606-E635 HydrophobicContact CD1-CB 3.74Å; L606-E635 WeakPolarHBondContact CD1-O 3.35Å; R629-E635 CarbonylContact C-O 3.51Å; R629-E635 VanDerWaalsContact CA-O 3.27Å; R629-E635 WeakPolarHBondContact CA-O 3.25Å; R629-E635 WeakPolarHBondContact CG-O 3.36Å; I630-E635 PolarHBondContact N-O 3.27Å; T633-E635 PolarHBondContact O-N 2.98Å; T633-E635 PolarHBondContact OG1-N 3.09Å | ||
| 636 | A | 88.2 | Confident | 84.4 | Confident | 53 Ų | 53 | 52.2 Ų | 52.2 | 44% | 0.438 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I617 G628 R629 | I617-A636 HydrophobicContact CD1-CB 4.37Å; G628-A636 VanDerWaalsContact O-CA 3.31Å; G628-A636 WeakPolarHBondContact O-CA 3.21Å; R629-A636 HydrophobicContact CB-CB 4.21Å; R629-A636 HydrophobicContact CG-CB 4.14Å |
| 637 | G | 88.6 | Confident | 82.8 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.8 | -170.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | P604 G628 | P604-G637 WeakPolarHBondContact O-CA 3.32Å; G628-G637 PolarHBondContact N-O 3.48Å; G628-G637 PolarHBondContact O-N 3.07Å; G628-G637 VanDerWaalsContact O-N 3.17Å |
| 638 | F | 90.6 | Very high | 80.9 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 13% | 0.127 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 140.2 | -177.9 | -71.2 | -93.3 | 0 | 0 | 0 | 111.9 | P600 S602 P604 L606 W625 W626 Q627 | P600-F638 HydrophobicContact CB-CB 3.66Å; P600-F638 HydrophobicContact CB-CG 4.24Å; P600-F638 HydrophobicContact CG-CB 3.48Å; P600-F638 VanDerWaalsContact CG-CB 3.48Å; P600-F638 HydrophobicContact CG-CG 4.41Å; S602-F638 VanDerWaalsContact O-CE2 3.26Å; S602-F638 WeakPolarHBondContact O-CE2 3.42Å; P604-F638 PolarHBondContact O-N 3.24Å; L606-F638 PolarHBondContact N-O 3.34Å; W625-F638 HydrophobicContact CB-CD1 4.37Å; W625-F638 HydrophobicContact CE3-CB 4.32Å; W626-F638 CarbonylContact O-C 3.57Å; W626-F638 VanDerWaalsContact O-CA 3.29Å; W626-F638 WeakPolarHBondContact O-CA 3.37Å; Q627-F638 HydrophobicContact CB-CD1 4.04Å; Q627-F638 HydrophobicContact CB-CE1 3.85Å; Q627-F638 HydrophobicContact CB-CZ 4.18Å; Q627-F638 HydrophobicContact CG-CD1 4.49Å; Q627-F638 HydrophobicContact CG-CD2 4.46Å; Q627-F638 HydrophobicContact CG-CE1 4.32Å; Q627-F638 HydrophobicContact CG-CE2 4.26Å; Q627-F638 HydrophobicContact CG-CZ 4.19Å |
| 639 | F | 90.8 | Very high | 78.8 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 159.3 | 176.4 | 63 | -87 | 0 | 0 | 0 | 110.5 | Y594 L606 I608 I614 L616 W625 W626 S641 V644 | Y594-F639 HydrophobicContact CD1-CB 4.4Å; L606-F639 HydrophobicContact CD2-CD1 3.99Å; I608-F639 HydrophobicContact CD1-CB 3.79Å; I608-F639 HydrophobicContact CD1-CD2 4.06Å; I608-F639 HydrophobicContact CD1-CG 4.14Å; I608-F639 HydrophobicContact CG1-CB 4.41Å; I608-F639 HydrophobicContact CG2-CB 4.28Å; I614-F639 HydrophobicContact CD1-CD1 4.05Å; I614-F639 HydrophobicContact CD1-CD2 4.23Å; I614-F639 HydrophobicContact CD1-CE1 3.98Å; I614-F639 HydrophobicContact CD1-CE2 4.2Å; I614-F639 HydrophobicContact CD1-CG 4.18Å; I614-F639 HydrophobicContact CD1-CZ 4.05Å; I614-F639 HydrophobicContact CG2-CE1 3.67Å; I614-F639 HydrophobicContact CG2-CZ 3.91Å; L616-F639 HydrophobicContact CD1-CZ 3.8Å; W625-F639 VanDerWaalsContact CE3-C 3.49Å; W626-F639 HydrophobicContact CB-CE1 4.46Å; W626-F639 HydrophobicContact CB-CE2 4.2Å; W626-F639 HydrophobicContact CB-CZ 4Å; W626-F639 PolarHBondContact N-O 2.94Å; W626-F639 WeakPolarHBondContact O-CD1 3.09Å; W626-F639 PolarHBondContact O-N 2.91Å; F639-S641 PolarHBondContact O-N 3.5Å; F639-V644 HydrophobicContact CD2-CG1 3.74Å; F639-V644 HydrophobicContact CE2-CB 4.22Å; F639-V644 HydrophobicContact CE2-CG1 3.41Å; F639-V644 VanDerWaalsContact CE2-CG1 3.41Å; F639-V644 HydrophobicContact CE2-CG2 3.7Å; F639-V644 HydrophobicContact CZ-CG1 4.32Å; F639-V644 HydrophobicContact CZ-CG2 4.45Å |
| 640 | P | 88.7 | Confident | 76.3 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 130.4 | 179 | -22.1 | 34.6 | 0 | 0 | 0 | 111.9 | Y594 A624 W625 D642 A643 | Y594-P640 HydrophobicContact CD1-CG 4.45Å; Y594-P640 HydrophobicContact CD2-CG 3.76Å; Y594-P640 HydrophobicContact CE2-CG 4Å; Y594-P640 HydrophobicContact CG-CG 4Å; A624-P640 WeakPolarHBondContact O-CA 3.4Å; W625-P640 HydrophobicContact CE3-CG 4.41Å; W625-P640 HydrophobicContact CH2-CG 3.89Å; W625-P640 HydrophobicContact CZ3-CG 3.74Å; P640-D642 WeakPolarHBondContact CB-OD1 3.46Å; P640-D642 PolarHBondContact O-N 3.47Å; P640-A643 HydrophobicContact CB-CB 4.24Å; P640-A643 WeakPolarHBondContact O-CB 3.09Å; P640-A643 PolarHBondContact O-N 2.95Å |
| 641 | S | 86.3 | Confident | 74.1 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 19% | 0.189 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -61.4 | -28.5 | -178.7 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | A624 F639 A643 | A624-S641 PolarHBondContact O-N 2.96Å; A624-S641 PolarHBondContact O-OG 2.96Å; F639-S641 PolarHBondContact O-N 3.5Å; S641-A643 VanDerWaalsContact C-N 3.27Å; S641-A643 PolarHBondContact O-N 3.22Å |
| 642 | D | 84.8 | Confident | 72.4 | Confident | 100 Ų | 100 | 70.5 Ų | 70.5 | 54% | 0.535 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -76.6 | -8 | 177.5 | 72.2 | -11.8 | 0 | 0 | 0 | 114.2 | R592 P640 V644 | R592-D642 IonicContact CZ-OD1 3.29Å; R592-D642 IonicContact CZ-OD2 3.44Å; R592-D642 IonicContact NH2-OD1 2.82Å; R592-D642 PolarHBondContact NH2-OD1 3.38Å; R592-D642 IonicContact NH2-OD2 3.98Å; R592-D642 PolarHBondContact NH2-OD2 3.37Å; P640-D642 WeakPolarHBondContact CB-OD1 3.46Å; P640-D642 PolarHBondContact O-N 3.47Å; D642-V644 VanDerWaalsContact C-N 3.34Å |
| 643 | A | 85.3 | Confident | 71.5 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -88 | -0.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I591 R592 I608 P640 S641 | I591-A643 VanDerWaalsContact CG1-O 3.25Å; I591-A643 WeakPolarHBondContact CG1-O 3.4Å; I591-A643 PolarHBondContact N-O 2.73Å; R592-A643 HydrophobicContact CB-CB 4.27Å; R592-A643 PolarHBondContact N-O 2.83Å; I608-A643 HydrophobicContact CD1-CB 3.82Å; P640-A643 HydrophobicContact CB-CB 4.24Å; P640-A643 WeakPolarHBondContact O-CB 3.09Å; P640-A643 PolarHBondContact O-N 2.95Å; S641-A643 VanDerWaalsContact C-N 3.27Å; S641-A643 PolarHBondContact O-N 3.22Å |
| 644 | V | 84 | Confident | 70.5 | Confident | 14 Ų | 14 | 71.9 Ų | 71.9 | 9% | 0.085 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 160.9 | -172.9 | -52.1 | 0 | 0 | 0 | 0 | 113.5 | M588 L589 V590 I608 I614 W626 F639 D642 | M588-V644 HydrophobicContact CB-CB 3.87Å; M588-V644 HydrophobicContact CB-CG2 3.83Å; M588-V644 HydrophobicContact CG-CG2 4.09Å; M588-V644 HydrophobicContact SD-CG2 4.47Å; L589-V644 CarbonylContact O-C 3.5Å; L589-V644 VanDerWaalsContact O-CA 3.3Å; L589-V644 WeakPolarHBondContact O-CA 3.34Å; V590-V644 HydrophobicContact CG2-CG1 4.06Å; I608-V644 HydrophobicContact CD1-CG1 4.35Å; I614-V644 HydrophobicContact CD1-CG1 4.03Å; W626-V644 HydrophobicContact CE3-CG2 4.21Å; W626-V644 HydrophobicContact CZ3-CG2 4.14Å; F639-V644 HydrophobicContact CD2-CG1 3.74Å; F639-V644 HydrophobicContact CE2-CB 4.22Å; F639-V644 HydrophobicContact CE2-CG1 3.41Å; F639-V644 VanDerWaalsContact CE2-CG1 3.41Å; F639-V644 HydrophobicContact CE2-CG2 3.7Å; F639-V644 HydrophobicContact CZ-CG1 4.32Å; F639-V644 HydrophobicContact CZ-CG2 4.45Å; D642-V644 VanDerWaalsContact C-N 3.34Å |
| 645 | R | 78.7 | Confident | 69.9 | Low | 118 Ų | 118 | 71 Ų | 71 | 45% | 0.445 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 154.8 | 172.8 | 70.1 | 179.4 | 176.2 | 166.9 | 5.6 | 112.4 | M588 L589 I591 C649 | M588-R645 CarbonylContact C-O 3.55Å; M588-R645 VanDerWaalsContact CA-O 3.25Å; M588-R645 WeakPolarHBondContact CA-O 3.1Å; L589-R645 HydrophobicContact CB-CG 4.23Å; L589-R645 PolarHBondContact N-O 2.96Å; L589-R645 PolarHBondContact O-N 2.86Å; I591-R645 HydrophobicContact CG2-CB 4.38Å; I591-R645 HydrophobicContact CG2-CG 3.68Å; R645-C649 VanDerWaalsContact CZ-SG 3.52Å; R645-C649 PolarHBondContact NE-SG 3.11Å |
| 646 | P | 69.6 | Low | 69.7 | Low | 89 Ų | 89 | 66 Ų | 66 | 58% | 0.578 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 143.3 | 179.4 | -24.8 | 34.3 | 0 | 0 | 0 | 114.9 | M588 C649 | M588-P646 HydrophobicContact CE-CG 4.33Å; M588-P646 VanDerWaalsContact SD-CA 3.58Å; M588-P646 HydrophobicContact SD-CB 4.19Å; M588-P646 HydrophobicContact SD-CG 3.92Å; P646-C649 PolarHBondContact O-SG 3.48Å; P646-C649 VanDerWaalsContact O-SG 3.41Å |
| 647 | C | 56.9 | Low | 69.2 | Low | 44 Ų | 44 | 66.4 Ų | 66.4 | 30% | 0.297 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -126.2 | 129.1 | 178.5 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | K587 L589 | K587-C647 HydrophobicContact CB-CB 4.41Å; K587-C647 PolarHBondContact O-N 2.95Å; L589-C647 HydrophobicContact CB-CB 4.26Å |
| 648 | P | 48.3 | Very low | 68.7 | Low | 105 Ų | 105 | 70.7 Ų | 70.7 | 68% | 0.682 | 41% | 0.411 | S | S | * | . | S | Bend | cis | -76.4 | 144.8 | 5.7 | 29.4 | -32.6 | 0 | 0 | 0 | 113 | V650 | P648-V650 HydrophobicContact CB-CG2 4.49Å; P648-V650 HydrophobicContact CG-CG2 4.19Å; P648-V650 PolarHBondContact O-N 3.05Å |
| 649 | C | 42.5 | Very low | 68.5 | Low | 66 Ų | 66 | 72.1 Ų | 72.1 | 45% | 0.446 | 42% | 0.418 | S | S | . | . | trans | -73.5 | 74.3 | 175 | -51.5 | 0 | 0 | 0 | 0 | 109.9 | R645 P646 | R645-C649 VanDerWaalsContact CZ-SG 3.52Å; R645-C649 PolarHBondContact NE-SG 3.11Å; P646-C649 PolarHBondContact O-SG 3.48Å; P646-C649 VanDerWaalsContact O-SG 3.41Å | ||
| 650 | V | 39.4 | Very low | 68.3 | Low | 110 Ų | 110 | 76.5 Ų | 76.5 | 67% | 0.667 | 44% | 0.441 | S | S | * | . | trans | -76.1 | 121 | 165.4 | -169.6 | 0 | 0 | 0 | 0 | 106.2 | P648 K652 | P648-V650 HydrophobicContact CB-CG2 4.49Å; P648-V650 HydrophobicContact CG-CG2 4.19Å; P648-V650 PolarHBondContact O-N 3.05Å; V650-K652 PolarHBondContact O-N 2.87Å | ||
| 651 | P | 38.7 | Very low | 68.5 | Low | 118 Ų | 118 | 76.1 Ų | 76.1 | 77% | 0.766 | 44% | 0.438 | S | S | * | . | trans | -61.6 | 108.9 | 169.5 | -11 | 24.6 | 0 | 0 | 0 | 106.8 | ||||
| 652 | K | 43.2 | Very low | 68.9 | Low | 183 Ų | 183 | 75.6 Ų | 75.6 | 80% | 0.796 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -56 | 143.5 | 162.1 | -75.3 | -175.2 | 177.4 | -176 | 0 | 107.2 | V650 V654 | V650-K652 PolarHBondContact O-N 2.87Å; K652-V654 PolarHBondContact O-N 2.78Å; K652-V654 VanDerWaalsContact O-N 3.1Å |
| 653 | P | 51.7 | Low | 69 | Low | 107 Ų | 107 | 71.3 Ų | 71.3 | 70% | 0.695 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 123.6 | 163.2 | -16 | 27.4 | 0 | 0 | 0 | 106.8 | D655 | P653-D655 PolarHBondContact O-N 3.09Å; P653-D655 VanDerWaalsContact O-N 3.11Å |
| 654 | V | 59.3 | Low | 69 | Low | 87 Ų | 87 | 71.7 Ų | 71.7 | 53% | 0.527 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 119.4 | 175 | 177.7 | 0 | 0 | 0 | 0 | 106.2 | K652 Y656 | K652-V654 PolarHBondContact O-N 2.78Å; K652-V654 VanDerWaalsContact O-N 3.1Å; V654-Y656 HydrophobicContact CB-CE1 4.08Å; V654-Y656 HydrophobicContact CB-CE2 3.99Å; V654-Y656 HydrophobicContact CG1-CD1 4.13Å; V654-Y656 HydrophobicContact CG1-CE1 3.5Å; V654-Y656 HydrophobicContact CG1-CE2 4.3Å; V654-Y656 WeakPolarHBondContact O-CD2 3.33Å; V654-Y656 WeakPolarHBondContact O-CE2 3.28Å; V654-Y656 PolarHBondContact O-N 2.89Å |
| 655 | D | 69.1 | Low | 69.1 | Low | 114 Ų | 114 | 75.3 Ų | 75.3 | 61% | 0.61 | 44% | 0.438 | S | S | * | . | trans | -72 | 110.9 | -179.4 | -177.7 | 17.2 | 0 | 0 | 0 | 109.6 | P653 S657 | P653-D655 PolarHBondContact O-N 3.09Å; P653-D655 VanDerWaalsContact O-N 3.11Å; D655-S657 WeakPolarHBondContact OD1-CB 3.28Å; D655-S657 PolarHBondContact OD1-N 2.87Å; D655-S657 PolarHBondContact OD1-OG 3.4Å; D655-S657 PolarHBondContact OD2-OG 3.48Å | ||
| 656 | Y | 78.8 | Confident | 69.5 | Low | 9 Ų | 9 | 71.2 Ų | 71.2 | 4% | 0.035 | 43% | 0.425 | C | S | . | . | trans | -97.1 | 6.5 | 176.6 | -59.9 | -63.6 | 0 | 0 | 0 | 112.2 | V654 S658 Q659 W661 F662 Y695 I728 L729 | V654-Y656 HydrophobicContact CB-CE1 4.08Å; V654-Y656 HydrophobicContact CB-CE2 3.99Å; V654-Y656 HydrophobicContact CG1-CD1 4.13Å; V654-Y656 HydrophobicContact CG1-CE1 3.5Å; V654-Y656 HydrophobicContact CG1-CE2 4.3Å; V654-Y656 WeakPolarHBondContact O-CD2 3.33Å; V654-Y656 WeakPolarHBondContact O-CE2 3.28Å; V654-Y656 PolarHBondContact O-N 2.89Å; Y656-S658 PolarHBondContact O-N 3.18Å; Y656-S658 VanDerWaalsContact O-N 3.09Å; Y656-Q659 HydrophobicContact CD1-CG 4.33Å; Y656-Q659 VanDerWaalsContact O-CB 3.3Å; Y656-Q659 WeakPolarHBondContact O-CB 3.39Å; Y656-Q659 PolarHBondContact O-N 2.8Å; Y656-W661 AromaticContact CD1-CH2 3.88Å; Y656-W661 HydrophobicContact CD1-CH2 3.88Å; Y656-W661 HydrophobicContact CD1-CZ2 4.42Å; Y656-W661 HydrophobicContact CE1-CH2 4.43Å; Y656-W661 HydrophobicContact CG-CH2 4.08Å; Y656-F662 VanDerWaalsContact C-CD1 3.47Å; Y656-F662 HydrophobicContact CD2-CE2 4.46Å; Y656-F662 VanDerWaalsContact O-CB 3.22Å; Y656-F662 WeakPolarHBondContact O-CB 3.16Å; Y656-F662 WeakPolarHBondContact O-CD1 3.35Å; Y656-Y695 HydrophobicContact CD2-CE1 4.25Å; Y656-Y695 HydrophobicContact CE2-CE1 4.46Å; Y656-I728 HydrophobicContact CE2-CB 4.13Å; Y656-I728 HydrophobicContact CE2-CD1 4Å; Y656-I728 HydrophobicContact CE2-CG1 4.45Å; Y656-L729 HydrophobicContact CE1-CB 4.34Å | ||
| 657 | S | 78.7 | Confident | 70.4 | Confident | 60 Ų | 60 | 72.8 Ų | 72.8 | 42% | 0.42 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -32.3 | -177.5 | 65.2 | 0 | 0 | 0 | 0 | 113.8 | D655 Q659 R756 | D655-S657 WeakPolarHBondContact OD1-CB 3.28Å; D655-S657 PolarHBondContact OD1-N 2.87Å; D655-S657 PolarHBondContact OD1-OG 3.4Å; D655-S657 PolarHBondContact OD2-OG 3.48Å; S657-Q659 VanDerWaalsContact C-N 3.31Å; S657-Q659 PolarHBondContact O-N 3.1Å; S657-R756 PolarHBondContact O-NH1 2.88Å |
| 658 | S | 78.3 | Confident | 71.9 | Confident | 92 Ų | 92 | 77.5 Ų | 77.5 | 64% | 0.643 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -10.2 | 177.8 | 60.2 | 0 | 0 | 0 | 0 | 114.6 | Y656 | Y656-S658 PolarHBondContact O-N 3.18Å; Y656-S658 VanDerWaalsContact O-N 3.09Å |
| 659 | Q | 85.4 | Confident | 73.9 | Confident | 59 Ų | 59 | 78.4 Ų | 78.4 | 28% | 0.276 | 43% | 0.429 | S | S | . | . | trans | -85.1 | 128.7 | -177.7 | -59.7 | -62.4 | -51.8 | 0 | 0 | 111 | Y656 S657 W661 F662 | Y656-Q659 HydrophobicContact CD1-CG 4.33Å; Y656-Q659 VanDerWaalsContact O-CB 3.3Å; Y656-Q659 WeakPolarHBondContact O-CB 3.39Å; Y656-Q659 PolarHBondContact O-N 2.8Å; S657-Q659 VanDerWaalsContact C-N 3.31Å; S657-Q659 PolarHBondContact O-N 3.1Å; Q659-W661 HydrophobicContact CB-CD2 3.94Å; Q659-W661 HydrophobicContact CB-CE3 4.45Å; Q659-W661 HydrophobicContact CB-CG 4.36Å; Q659-W661 HydrophobicContact CB-CH2 4.33Å; Q659-W661 HydrophobicContact CB-CZ2 3.78Å; Q659-W661 HydrophobicContact CG-CH2 4.22Å; Q659-W661 HydrophobicContact CG-CZ2 3.61Å; Q659-W661 PolarHBondContact O-N 2.77Å; Q659-W661 VanDerWaalsContact O-N 3.08Å; Q659-F662 HydrophobicContact CB-CB 4.01Å; Q659-F662 PolarHBondContact O-N 3.34Å | ||
| 660 | L | 87.6 | Confident | 76.1 | Confident | 92 Ų | 92 | 79.1 Ų | 79.1 | 48% | 0.482 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.7 | -179.1 | -62.9 | 176.6 | 0 | 0 | 0 | 114.2 | P754 Y755 R756 | L660-P754 HydrophobicContact CB-CB 3.81Å; L660-P754 HydrophobicContact CB-CG 4.48Å; L660-Y755 WeakPolarHBondContact O-CD1 3.39Å; L660-R756 HydrophobicContact CB-CB 4.3Å; L660-R756 HydrophobicContact CD2-CB 4.15Å; L660-R756 VanDerWaalsContact O-CB 3.26Å; L660-R756 WeakPolarHBondContact O-CB 3.4Å; L660-R756 WeakPolarHBondContact O-CG 3.37Å; L660-R756 PolarHBondContact O-N 2.83Å |
| 661 | W | 92.1 | Very high | 78.6 | Confident | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.015 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -8 | 177 | 49.4 | -98.8 | 0 | 0 | 0 | 112.7 | Y656 Q659 Y683 L684 V685 I728 L729 I732 P754 | Y656-W661 AromaticContact CD1-CH2 3.88Å; Y656-W661 HydrophobicContact CD1-CH2 3.88Å; Y656-W661 HydrophobicContact CD1-CZ2 4.42Å; Y656-W661 HydrophobicContact CE1-CH2 4.43Å; Y656-W661 HydrophobicContact CG-CH2 4.08Å; Q659-W661 HydrophobicContact CB-CD2 3.94Å; Q659-W661 HydrophobicContact CB-CE3 4.45Å; Q659-W661 HydrophobicContact CB-CG 4.36Å; Q659-W661 HydrophobicContact CB-CH2 4.33Å; Q659-W661 HydrophobicContact CB-CZ2 3.78Å; Q659-W661 HydrophobicContact CG-CH2 4.22Å; Q659-W661 HydrophobicContact CG-CZ2 3.61Å; Q659-W661 PolarHBondContact O-N 2.77Å; Q659-W661 VanDerWaalsContact O-N 3.08Å; W661-Y683 HydrophobicContact CB-CD2 4.18Å; W661-Y683 HydrophobicContact CB-CE2 3.45Å; W661-Y683 VanDerWaalsContact CB-CE2 3.45Å; W661-Y683 AromaticContact CG-CE2 3.95Å; W661-Y683 HydrophobicContact CG-CE2 3.95Å; W661-L684 CarbonylContact O-C 3.55Å; W661-L684 WeakPolarHBondContact O-CA 3.37Å; W661-V685 HydrophobicContact CD2-CG2 4.33Å; W661-V685 HydrophobicContact CE3-CB 3.56Å; W661-V685 HydrophobicContact CE3-CG1 4.5Å; W661-V685 HydrophobicContact CE3-CG2 3.31Å; W661-V685 HydrophobicContact CZ3-CB 3.64Å; W661-V685 HydrophobicContact CZ3-CG1 4.09Å; W661-V685 HydrophobicContact CZ3-CG2 3.59Å; W661-V685 PolarHBondContact O-N 2.91Å; W661-I728 HydrophobicContact CH2-CG2 4.04Å; W661-I728 HydrophobicContact CZ3-CG2 4.24Å; W661-L729 HydrophobicContact CZ2-CD1 3.89Å; W661-I732 HydrophobicContact CD2-CG2 4.24Å; W661-I732 HydrophobicContact CE3-CG1 4.42Å; W661-I732 HydrophobicContact CG-CG2 4.35Å; W661-I732 HydrophobicContact CH2-CG1 4.26Å; W661-I732 HydrophobicContact CZ2-CG1 4.35Å; W661-I732 HydrophobicContact CZ3-CG1 4.3Å; W661-P754 HydrophobicContact CB-CB 3.98Å |
| 662 | F | 93.9 | Very high | 81.2 | Confident | 16 Ų | 16 | 71.5 Ų | 71.5 | 7% | 0.07 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 121.5 | -173.9 | -172.1 | -111.3 | 0 | 0 | 0 | 111.7 | Y656 Q659 V685 H687 Y695 R756 | Y656-F662 VanDerWaalsContact C-CD1 3.47Å; Y656-F662 HydrophobicContact CD2-CE2 4.46Å; Y656-F662 VanDerWaalsContact O-CB 3.22Å; Y656-F662 WeakPolarHBondContact O-CB 3.16Å; Y656-F662 WeakPolarHBondContact O-CD1 3.35Å; Q659-F662 HydrophobicContact CB-CB 4.01Å; Q659-F662 PolarHBondContact O-N 3.34Å; F662-V685 HydrophobicContact CD2-CB 4.23Å; F662-V685 HydrophobicContact CD2-CG1 4.32Å; F662-V685 WeakPolarHBondContact CD2-O 2.86Å; F662-H687 AromaticContact CZ-CD2 3.99Å; F662-H687 AromaticContact CZ-NE2 3.48Å; F662-H687 WeakPolarHBondContact CZ-NE2 3.49Å; F662-Y695 HydrophobicContact CE2-CD1 4.1Å; F662-Y695 AromaticContact CE2-CE1 3.78Å; F662-Y695 HydrophobicContact CE2-CE1 3.78Å; F662-Y695 HydrophobicContact CZ-CE1 4.2Å; F662-R756 PolarHBondContact O-NH2 3.26Å; F662-R756 VanDerWaalsContact O-NH2 3.13Å |
| 663 | A | 87.8 | Confident | 83.5 | Confident | 11 Ų | 11 | 66 Ų | 66 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -4.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I666 L684 V685 Y755 | A663-I666 HydrophobicContact CB-CD1 3.48Å; A663-I666 VanDerWaalsContact CB-CD1 3.48Å; A663-I666 HydrophobicContact CB-CG1 3.87Å; A663-L684 HydrophobicContact CB-CB 4.22Å; A663-L684 HydrophobicContact CB-CD1 3.99Å; A663-L684 HydrophobicContact CB-CD2 4.26Å; A663-L684 HydrophobicContact CB-CG 4.38Å; A663-V685 PolarHBondContact N-O 2.85Å; A663-Y755 WeakPolarHBondContact CA-OH 3.42Å; A663-Y755 HydrophobicContact CB-CE1 3.76Å; A663-Y755 WeakPolarHBondContact CB-OH 3.4Å |
| 664 | G | 84.8 | Confident | 85.3 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.8 | -148.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I666 R686 H687 | G664-I666 PolarHBondContact O-N 3.42Å; G664-R686 CarbonylContact O-C 3.53Å; G664-R686 VanDerWaalsContact O-CA 3.3Å; G664-R686 WeakPolarHBondContact O-CA 3.3Å; G664-H687 PolarHBondContact O-N 3.28Å |
| 665 | P | 86.9 | Confident | 86.8 | Confident | 89 Ų | 89 | 61.5 Ų | 61.5 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -82.9 | 78.5 | -174.2 | 34.8 | -34.9 | 0 | 0 | 0 | 112.4 | H687 F692 | P665-H687 HydrophobicContact CB-CB 4.41Å; P665-F692 HydrophobicContact CB-CD1 3.92Å; P665-F692 HydrophobicContact CB-CE1 3.47Å; P665-F692 VanDerWaalsContact CB-CE1 3.47Å; P665-F692 HydrophobicContact CG-CE1 3.92Å |
| 666 | I | 86.8 | Confident | 87.6 | Confident | 33 Ų | 33 | 59.7 Ų | 59.7 | 17% | 0.169 | 32% | 0.316 | C | S | . | . | trans | -113.6 | 143.6 | 172.4 | 64 | 164.3 | 0 | 0 | 0 | 111.7 | A663 G664 Q670 A671 L684 R686 | A663-I666 HydrophobicContact CB-CD1 3.48Å; A663-I666 VanDerWaalsContact CB-CD1 3.48Å; A663-I666 HydrophobicContact CB-CG1 3.87Å; G664-I666 PolarHBondContact O-N 3.42Å; I666-Q670 HydrophobicContact CB-CB 4.31Å; I666-A671 HydrophobicContact CD1-CB 3.88Å; I666-L684 HydrophobicContact CD1-CD1 3.85Å; I666-L684 HydrophobicContact CD1-CD2 3.94Å; I666-R686 HydrophobicContact CD1-CB 4.32Å; I666-R686 HydrophobicContact CG1-CB 3.53Å; I666-R686 HydrophobicContact CG1-CG 4.39Å; I666-R686 WeakPolarHBondContact O-CD 3.43Å; I666-R686 PolarHBondContact O-NH1 3.43Å | ||
| 667 | E | 87.4 | Confident | 87.9 | Confident | 122 Ų | 122 | 66 Ų | 66 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | trans | -79.8 | 168.3 | 177.9 | -66 | -161.9 | 170.7 | 0 | 0 | 112.2 | F669 Q670 A671 | E667-F669 HydrophobicContact CB-CD1 3.84Å; E667-F669 HydrophobicContact CB-CE1 3.75Å; E667-F669 HydrophobicContact CG-CE1 4.43Å; E667-F669 PolarHBondContact O-N 3.48Å; E667-F669 WeakPolarHBondContact OE2-CE1 3.41Å; E667-Q670 PolarHBondContact O-N 3.21Å; E667-A671 PolarHBondContact O-N 3.35Å | ||
| 668 | R | 89.4 | Confident | 88.3 | Confident | 142 Ų | 142 | 66 Ų | 66 | 54% | 0.536 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.1 | -46.9 | -175.4 | -174.1 | -177.5 | 169.6 | 154 | -0.1 | 112.1 | Q670 A671 E672 H707 | R668-Q670 VanDerWaalsContact C-N 3.32Å; R668-Q670 PolarHBondContact O-N 3.34Å; R668-A671 PolarHBondContact O-N 3.43Å; R668-E672 IonicContact CZ-OE1 3.43Å; R668-E672 IonicContact NE-OE1 3.94Å; R668-E672 PolarHBondContact NE-OE1 3.25Å; R668-E672 IonicContact NH2-OE1 3.94Å; R668-E672 WeakPolarHBondContact O-CG 3.47Å; R668-E672 PolarHBondContact O-N 3.35Å; R668-H707 WeakPolarHBondContact CG-NE2 3.43Å; R668-H707 VanDerWaalsContact CZ-CD2 3.43Å; R668-H707 PolarHBondContact NE-CD2 3.07Å; R668-H707 PolarHBondContact NE-NE2 3.48Å; R668-H707 PolarHBondContact NH2-CD2 3.04Å |
| 669 | F | 89.8 | Confident | 88.8 | Confident | 124 Ų | 124 | 64.4 Ų | 64.4 | 54% | 0.544 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.6 | -34.3 | -177.8 | 77.6 | -90.5 | 0 | 0 | 0 | 112.4 | E667 E672 A673 | E667-F669 HydrophobicContact CB-CD1 3.84Å; E667-F669 HydrophobicContact CB-CE1 3.75Å; E667-F669 HydrophobicContact CG-CE1 4.43Å; E667-F669 PolarHBondContact O-N 3.48Å; E667-F669 WeakPolarHBondContact OE2-CE1 3.41Å; F669-E672 WeakPolarHBondContact O-CB 3.08Å; F669-E672 PolarHBondContact O-N 3.37Å; F669-A673 PolarHBondContact O-N 3.41Å |
| 670 | Q | 90.1 | Very high | 89.1 | Confident | 82 Ų | 82 | 64.3 Ų | 64.3 | 38% | 0.383 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68 | -43.4 | 175.5 | -63.4 | 174.2 | -48.2 | 0 | 0 | 110.6 | I666 E667 R668 E672 A673 E674 | I666-Q670 HydrophobicContact CB-CB 4.31Å; E667-Q670 PolarHBondContact O-N 3.21Å; R668-Q670 VanDerWaalsContact C-N 3.32Å; R668-Q670 PolarHBondContact O-N 3.34Å; Q670-E672 VanDerWaalsContact C-N 3.27Å; Q670-E672 PolarHBondContact O-N 3.35Å; Q670-A673 PolarHBondContact O-N 2.52Å; Q670-E674 WeakPolarHBondContact O-CG 3.44Å; Q670-E674 PolarHBondContact O-N 2.62Å |
| 671 | A | 90.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64 | -31.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I666 E667 R668 L675 L684 S698 | I666-A671 HydrophobicContact CD1-CB 3.88Å; E667-A671 PolarHBondContact O-N 3.35Å; R668-A671 PolarHBondContact O-N 3.43Å; A671-L675 WeakPolarHBondContact O-CB 3.33Å; A671-L675 WeakPolarHBondContact O-CG 3.3Å; A671-L675 PolarHBondContact O-N 2.74Å; A671-L684 HydrophobicContact CB-CD1 4Å; A671-L684 HydrophobicContact CB-CD2 4.26Å; A671-S698 WeakPolarHBondContact CB-OG 3.37Å |
| 672 | E | 93.5 | Very high | 89.4 | Confident | 68 Ų | 68 | 60.6 Ų | 60.6 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.4 | -47.6 | 173 | -71.4 | 170.9 | -179 | 0 | 0 | 110.6 | R668 F669 Q670 E674 L675 I676 V705 H707 | R668-E672 IonicContact CZ-OE1 3.43Å; R668-E672 IonicContact NE-OE1 3.94Å; R668-E672 PolarHBondContact NE-OE1 3.25Å; R668-E672 IonicContact NH2-OE1 3.94Å; R668-E672 WeakPolarHBondContact O-CG 3.47Å; R668-E672 PolarHBondContact O-N 3.35Å; F669-E672 WeakPolarHBondContact O-CB 3.08Å; F669-E672 PolarHBondContact O-N 3.37Å; Q670-E672 VanDerWaalsContact C-N 3.27Å; Q670-E672 PolarHBondContact O-N 3.35Å; E672-E674 PolarHBondContact O-N 3.48Å; E672-L675 PolarHBondContact O-N 3.45Å; E672-I676 WeakPolarHBondContact O-CB 3.36Å; E672-I676 PolarHBondContact O-N 3.02Å; E672-V705 HydrophobicContact CG-CB 4.04Å; E672-V705 HydrophobicContact CG-CG1 4.2Å; E672-H707 WeakPolarHBondContact CG-NE2 3.21Å; E672-H707 IonicContact OE1-CD2 2.61Å; E672-H707 IonicContact OE1-NE2 3.92Å; E672-H707 PolarHBondContact OE1-NE2 2.81Å; E672-H707 VanDerWaalsContact OE1-NE2 3.11Å |
| 673 | A | 90.9 | Very high | 89.5 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 56% | 0.562 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.3 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F669 Q670 L675 | F669-A673 PolarHBondContact O-N 3.41Å; Q670-A673 PolarHBondContact O-N 2.52Å; A673-L675 VanDerWaalsContact C-N 3.33Å; A673-L675 PolarHBondContact O-N 3.2Å |
| 674 | E | 90.2 | Very high | 89.9 | Confident | 98 Ų | 98 | 59.3 Ų | 59.3 | 46% | 0.458 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.1 | -30.4 | 178.2 | -73.1 | -66.2 | 158.3 | 0 | 0 | 113.5 | Q670 E672 R678 L684 | Q670-E674 WeakPolarHBondContact O-CG 3.44Å; Q670-E674 PolarHBondContact O-N 2.62Å; E672-E674 PolarHBondContact O-N 3.48Å; E674-R678 VanDerWaalsContact O-CG 3.31Å; E674-R678 WeakPolarHBondContact O-CG 3.5Å; E674-L684 HydrophobicContact CB-CD2 4.34Å |
| 675 | L | 90.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -102.6 | -16.9 | -173.9 | -67.4 | 178.2 | 0 | 0 | 0 | 113.8 | A671 E672 A673 N677 R678 T682 L684 S698 K700 V705 | A671-L675 WeakPolarHBondContact O-CB 3.33Å; A671-L675 WeakPolarHBondContact O-CG 3.3Å; A671-L675 PolarHBondContact O-N 2.74Å; E672-L675 PolarHBondContact O-N 3.45Å; A673-L675 VanDerWaalsContact C-N 3.33Å; A673-L675 PolarHBondContact O-N 3.2Å; L675-N677 VanDerWaalsContact C-N 3.29Å; L675-N677 PolarHBondContact O-N 3.47Å; L675-R678 PolarHBondContact O-N 3.38Å; L675-R678 VanDerWaalsContact O-N 3.09Å; L675-T682 HydrophobicContact CD2-CG2 3.74Å; L675-L684 HydrophobicContact CD1-CD2 4.2Å; L675-L684 HydrophobicContact CD1-CG 4.15Å; L675-L684 HydrophobicContact CD2-CD2 4.38Å; L675-L684 HydrophobicContact CG-CD2 4.1Å; L675-S698 WeakPolarHBondContact CD1-O 3.27Å; L675-K700 HydrophobicContact CB-CB 4.5Å; L675-K700 WeakPolarHBondContact O-CD 3.2Å; L675-V705 HydrophobicContact CB-CG1 4.4Å; L675-V705 HydrophobicContact CB-CG2 3.78Å; L675-V705 HydrophobicContact CD1-CG1 3.92Å |
| 676 | I | 86.4 | Confident | 90.7 | Very high | 77 Ų | 77 | 55.8 Ų | 55.8 | 40% | 0.395 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.6 | -36.1 | -170.3 | -163 | 69.1 | 0 | 0 | 0 | 113 | E672 K700 | E672-I676 WeakPolarHBondContact O-CB 3.36Å; E672-I676 PolarHBondContact O-N 3.02Å; I676-K700 WeakPolarHBondContact O-CE 3.42Å; I676-K700 PolarHBondContact O-NZ 3.17Å |
| 677 | N | 85.3 | Confident | 90.8 | Very high | 142 Ų | 142 | 55.3 Ų | 55.3 | 76% | 0.759 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 3.5 | -179.9 | -66.2 | -30.8 | 0 | 0 | 0 | 113.5 | L675 | L675-N677 VanDerWaalsContact C-N 3.29Å; L675-N677 PolarHBondContact O-N 3.47Å |
| 678 | R | 87.1 | Confident | 90.3 | Very high | 60 Ų | 60 | 55.9 Ų | 55.9 | 23% | 0.226 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -90.1 | 163.2 | 179.3 | -58.7 | -62.9 | -165.1 | 122 | 8.6 | 111.5 | E674 L675 T682 Y755 E759 | E674-R678 VanDerWaalsContact O-CG 3.31Å; E674-R678 WeakPolarHBondContact O-CG 3.5Å; L675-R678 PolarHBondContact O-N 3.38Å; L675-R678 VanDerWaalsContact O-N 3.09Å; R678-T682 HydrophobicContact CB-CG2 3.98Å; R678-T682 HydrophobicContact CG-CG2 4.24Å; R678-Y755 PolarHBondContact NH1-O 3.47Å; R678-Y755 PolarHBondContact NH2-O 3.21Å; R678-E759 WeakPolarHBondContact CD-OE1 3.45Å; R678-E759 IonicContact NE-OE1 3.98Å; R678-E759 IonicContact NH1-OE1 3.32Å |
| 679 | V | 89 | Confident | 89.2 | Confident | 57 Ų | 57 | 50.9 Ų | 50.9 | 35% | 0.345 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 152.3 | 174.4 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | T682 F753 | V679-T682 WeakPolarHBondContact CG2-OG1 3.31Å; V679-T682 VanDerWaalsContact O-CB 3.28Å; V679-T682 WeakPolarHBondContact O-CB 3.21Å; V679-T682 PolarHBondContact O-N 3.35Å; V679-T682 PolarHBondContact O-OG1 3.41Å; V679-F753 HydrophobicContact CG2-CD2 3.84Å; V679-F753 HydrophobicContact CG2-CE2 4.12Å; V679-F753 HydrophobicContact CG2-CG 4.46Å |
| 680 | N | 90.9 | Very high | 87.7 | Confident | 58 Ų | 58 | 54.3 Ų | 54.3 | 31% | 0.31 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 150 | 173.8 | -75.5 | -39.2 | 0 | 0 | 0 | 110.8 | T682 Y701 N702 | N680-T682 PolarHBondContact O-N 3.07Å; N680-Y701 WeakPolarHBondContact OD1-CA 3.48Å; N680-N702 PolarHBondContact OD1-N 3Å |
| 681 | S | 91.5 | Very high | 86.3 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 5.6 | -175.2 | -41.5 | 0 | 0 | 0 | 0 | 115 | K700 T749 Q752 F753 | S681-K700 PolarHBondContact N-O 3.06Å; S681-T749 PolarHBondContact OG-OG1 2.9Å; S681-Q752 PolarHBondContact O-N 2.92Å; S681-F753 PolarHBondContact O-N 2.91Å; S681-F753 VanDerWaalsContact O-N 3.16Å |
| 682 | T | 94.6 | Very high | 85.3 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 130.4 | 167.6 | -51.5 | 0 | 0 | 0 | 0 | 110.2 | L675 R678 V679 N680 I699 K700 F753 | L675-T682 HydrophobicContact CD2-CG2 3.74Å; R678-T682 HydrophobicContact CB-CG2 3.98Å; R678-T682 HydrophobicContact CG-CG2 4.24Å; V679-T682 WeakPolarHBondContact CG2-OG1 3.31Å; V679-T682 VanDerWaalsContact O-CB 3.28Å; V679-T682 WeakPolarHBondContact O-CB 3.21Å; V679-T682 PolarHBondContact O-N 3.35Å; V679-T682 PolarHBondContact O-OG1 3.41Å; N680-T682 PolarHBondContact O-N 3.07Å; T682-I699 WeakPolarHBondContact O-CA 3.38Å; T682-K700 PolarHBondContact O-N 3.04Å; T682-F753 CarbonylContact C-O 3.53Å; T682-F753 VanDerWaalsContact CA-O 3.24Å; T682-F753 WeakPolarHBondContact CA-O 3.44Å; T682-F753 HydrophobicContact CG2-CB 4.4Å; T682-F753 WeakPolarHBondContact CG2-O 3.36Å |
| 683 | Y | 96.4 | Very high | 84 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 158.1 | -173.2 | 75.9 | -76.9 | 0 | 0 | 0 | 113.8 | W661 I697 S698 I732 K736 L751 F753 P754 Y755 | W661-Y683 HydrophobicContact CB-CD2 4.18Å; W661-Y683 HydrophobicContact CB-CE2 3.45Å; W661-Y683 VanDerWaalsContact CB-CE2 3.45Å; W661-Y683 AromaticContact CG-CE2 3.95Å; W661-Y683 HydrophobicContact CG-CE2 3.95Å; Y683-I697 HydrophobicContact CD2-CG2 4.4Å; Y683-S698 CarbonylContact C-O 3.42Å; Y683-S698 WeakPolarHBondContact CA-O 3.48Å; Y683-S698 WeakPolarHBondContact CB-O 3.28Å; Y683-I732 HydrophobicContact CE2-CD1 4.37Å; Y683-I732 HydrophobicContact CE2-CG2 3.81Å; Y683-I732 WeakPolarHBondContact OH-CG2 3.37Å; Y683-K736 WeakPolarHBondContact OH-CE 3.41Å; Y683-L751 HydrophobicContact CD1-CB 3.69Å; Y683-L751 HydrophobicContact CD1-CD2 4.34Å; Y683-L751 HydrophobicContact CD2-CB 4.08Å; Y683-L751 HydrophobicContact CD2-CD1 4.13Å; Y683-L751 HydrophobicContact CD2-CD2 3.97Å; Y683-L751 HydrophobicContact CD2-CG 4.28Å; Y683-L751 HydrophobicContact CE1-CB 3.57Å; Y683-L751 WeakPolarHBondContact CE1-O 3.47Å; Y683-L751 HydrophobicContact CE2-CB 3.96Å; Y683-L751 HydrophobicContact CE2-CD1 4.02Å; Y683-L751 HydrophobicContact CE2-CG 4.42Å; Y683-L751 HydrophobicContact CG-CB 3.95Å; Y683-L751 HydrophobicContact CG-CD2 3.83Å; Y683-L751 HydrophobicContact CG-CG 4.35Å; Y683-F753 WeakPolarHBondContact CD1-O 3.05Å; Y683-F753 PolarHBondContact N-O 3.26Å; Y683-P754 HydrophobicContact CE1-CG 4.32Å; Y683-Y755 PolarHBondContact O-N 3Å |
| 684 | L | 96.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 157.5 | 169.5 | 64.5 | 79.4 | 0 | 0 | 0 | 111.6 | W661 A663 I666 A671 E674 L675 R686 I697 S698 Y755 | W661-L684 CarbonylContact O-C 3.55Å; W661-L684 WeakPolarHBondContact O-CA 3.37Å; A663-L684 HydrophobicContact CB-CB 4.22Å; A663-L684 HydrophobicContact CB-CD1 3.99Å; A663-L684 HydrophobicContact CB-CD2 4.26Å; A663-L684 HydrophobicContact CB-CG 4.38Å; I666-L684 HydrophobicContact CD1-CD1 3.85Å; I666-L684 HydrophobicContact CD1-CD2 3.94Å; A671-L684 HydrophobicContact CB-CD1 4Å; A671-L684 HydrophobicContact CB-CD2 4.26Å; E674-L684 HydrophobicContact CB-CD2 4.34Å; L675-L684 HydrophobicContact CD1-CD2 4.2Å; L675-L684 HydrophobicContact CD1-CG 4.15Å; L675-L684 HydrophobicContact CD2-CD2 4.38Å; L675-L684 HydrophobicContact CG-CD2 4.1Å; L684-R686 HydrophobicContact CD1-CB 4.03Å; L684-R686 HydrophobicContact CD1-CG 4.29Å; L684-I697 CarbonylContact O-C 3.4Å; L684-I697 WeakPolarHBondContact O-CA 3.12Å; L684-S698 PolarHBondContact N-O 3.1Å; L684-S698 PolarHBondContact O-N 3.12Å; L684-Y755 HydrophobicContact CB-CD1 3.45Å; L684-Y755 VanDerWaalsContact CB-CD1 3.45Å; L684-Y755 HydrophobicContact CB-CE1 4Å; L684-Y755 HydrophobicContact CB-CG 3.85Å; L684-Y755 HydrophobicContact CD2-CD1 4.39Å; L684-Y755 HydrophobicContact CD2-CD2 4.25Å; L684-Y755 HydrophobicContact CD2-CG 4.12Å |
| 685 | V | 95.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.9 | 172.3 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | W661 F662 A663 Y695 A696 I697 I710 I728 I732 | W661-V685 HydrophobicContact CD2-CG2 4.33Å; W661-V685 HydrophobicContact CE3-CB 3.56Å; W661-V685 HydrophobicContact CE3-CG1 4.5Å; W661-V685 HydrophobicContact CE3-CG2 3.31Å; W661-V685 HydrophobicContact CZ3-CB 3.64Å; W661-V685 HydrophobicContact CZ3-CG1 4.09Å; W661-V685 HydrophobicContact CZ3-CG2 3.59Å; W661-V685 PolarHBondContact O-N 2.91Å; F662-V685 HydrophobicContact CD2-CB 4.23Å; F662-V685 HydrophobicContact CD2-CG1 4.32Å; F662-V685 WeakPolarHBondContact CD2-O 2.86Å; A663-V685 PolarHBondContact N-O 2.85Å; V685-Y695 HydrophobicContact CG1-CD1 4.17Å; V685-A696 WeakPolarHBondContact CA-O 2.87Å; V685-I697 HydrophobicContact CG2-CG1 4.28Å; V685-I710 HydrophobicContact CG1-CD1 4.27Å; V685-I728 HydrophobicContact CG1-CG2 4.47Å; V685-I732 HydrophobicContact CG2-CD1 3.52Å; V685-I732 HydrophobicContact CG2-CG1 4.11Å |
| 686 | R | 93.4 | Very high | 83.7 | Confident | 23 Ų | 23 | 59.6 Ų | 59.6 | 9% | 0.087 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 156.7 | -175.4 | 65.1 | -173.2 | -173.2 | 78.3 | 0.6 | 111.9 | G664 I666 L684 Y695 A696 S698 | G664-R686 CarbonylContact O-C 3.53Å; G664-R686 VanDerWaalsContact O-CA 3.3Å; G664-R686 WeakPolarHBondContact O-CA 3.3Å; I666-R686 HydrophobicContact CD1-CB 4.32Å; I666-R686 HydrophobicContact CG1-CB 3.53Å; I666-R686 HydrophobicContact CG1-CG 4.39Å; I666-R686 WeakPolarHBondContact O-CD 3.43Å; I666-R686 PolarHBondContact O-NH1 3.43Å; L684-R686 HydrophobicContact CD1-CB 4.03Å; L684-R686 HydrophobicContact CD1-CG 4.29Å; R686-Y695 CarbonylContact O-C 3.57Å; R686-Y695 WeakPolarHBondContact O-CA 3.44Å; R686-A696 HydrophobicContact CG-CB 4.31Å; R686-A696 PolarHBondContact N-O 3.16Å; R686-A696 PolarHBondContact O-N 3.2Å; R686-S698 PolarHBondContact NE-OG 3.47Å |
| 687 | H | 87.6 | Confident | 84.2 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 11% | 0.106 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 144.1 | 167.8 | -67.5 | -66.9 | 0 | 0 | 0 | 111.3 | F662 G664 P665 F692 E694 Y695 | F662-H687 AromaticContact CZ-CD2 3.99Å; F662-H687 AromaticContact CZ-NE2 3.48Å; F662-H687 WeakPolarHBondContact CZ-NE2 3.49Å; G664-H687 PolarHBondContact O-N 3.28Å; P665-H687 HydrophobicContact CB-CB 4.41Å; H687-F692 HydrophobicContact CB-CD1 4.3Å; H687-F692 AromaticContact CD2-CD1 3.9Å; H687-F692 PolarHBondContact CE1-O 3.27Å; H687-F692 PolarHBondContact ND1-O 2.9Å; H687-F692 VanDerWaalsContact ND1-O 3.1Å; H687-E694 CarbonylContact C-O 3.42Å; H687-E694 VanDerWaalsContact CA-O 3.32Å; H687-E694 WeakPolarHBondContact CA-O 3.33Å; H687-Y695 AromaticContact CE1-CE1 3.26Å; H687-Y695 WeakPolarHBondContact CE1-CE1 3.17Å; H687-Y695 AromaticContact CE1-CZ 3.53Å; H687-Y695 AromaticContact ND1-CD1 3.79Å; H687-Y695 AromaticContact ND1-CE1 3.46Å; H687-Y695 WeakPolarHBondContact ND1-CE1 3.47Å; H687-Y695 AromaticContact ND1-CZ 3.84Å |
| 688 | R | 77 | Confident | 84.8 | Confident | 135 Ų | 135 | 49.1 Ų | 49.1 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | trans | -103.5 | -24.7 | 179 | -175.8 | 178.5 | 179.7 | -90.3 | -6.9 | 113.3 | E694 | R688-E694 HydrophobicContact CB-CB 3.95Å; R688-E694 IonicContact CZ-OE2 3.78Å; R688-E694 PolarHBondContact N-O 3.37Å; R688-E694 IonicContact NH1-OE1 3.36Å; R688-E694 IonicContact NH1-OE2 2.94Å; R688-E694 PolarHBondContact NH1-OE2 3.04Å | ||
| 689 | S | 67.3 | Low | 85.2 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 25% | 0.252 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -115.2 | 150.8 | -177.8 | 178 | 0 | 0 | 0 | 0 | 111.7 | E691 F692 | S689-E691 PolarHBondContact O-N 3.27Å; S689-E691 PolarHBondContact OG-N 3.26Å; S689-F692 PolarHBondContact O-N 2.94Å |
| 690 | K | 58.8 | Low | 85.5 | Confident | 196 Ų | 196 | 44.1 Ų | 44.1 | 85% | 0.852 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.4 | 172.7 | -67 | -171.5 | 178.2 | -173.8 | 0 | 113.3 | ||
| 691 | E | 59.7 | Low | 85.6 | Confident | 150 Ų | 150 | 43.2 Ų | 43.2 | 70% | 0.701 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 0.6 | 176.7 | -63.9 | 166.8 | -174.7 | 0 | 0 | 112.8 | S689 T693 | S689-E691 PolarHBondContact O-N 3.27Å; S689-E691 PolarHBondContact OG-N 3.26Å; E691-T693 PolarHBondContact O-N 3.14Å; E691-T693 VanDerWaalsContact O-N 3.12Å |
| 692 | F | 70.2 | Confident | 85.3 | Confident | 111 Ų | 111 | 47.7 Ų | 47.7 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 59.5 | 17.4 | 178.7 | -45.8 | -58.4 | 0 | 0 | 0 | 116.2 | P665 H687 S689 | P665-F692 HydrophobicContact CB-CD1 3.92Å; P665-F692 HydrophobicContact CB-CE1 3.47Å; P665-F692 VanDerWaalsContact CB-CE1 3.47Å; P665-F692 HydrophobicContact CG-CE1 3.92Å; H687-F692 HydrophobicContact CB-CD1 4.3Å; H687-F692 AromaticContact CD2-CD1 3.9Å; H687-F692 PolarHBondContact CE1-O 3.27Å; H687-F692 PolarHBondContact ND1-O 2.9Å; H687-F692 VanDerWaalsContact ND1-O 3.1Å; S689-F692 PolarHBondContact O-N 2.94Å |
| 693 | T | 65.8 | Low | 84.7 | Confident | 90 Ų | 90 | 53.2 Ų | 53.2 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | trans | -96.1 | -16.4 | -177 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | E691 | E691-T693 PolarHBondContact O-N 3.14Å; E691-T693 VanDerWaalsContact O-N 3.12Å | ||
| 694 | E | 81.9 | Confident | 84.3 | Confident | 62 Ų | 62 | 57.3 Ų | 57.3 | 29% | 0.29 | 28% | 0.275 | S | S | . | . | trans | -110.5 | 145.2 | 178.8 | -65.6 | -162.8 | 145.2 | 0 | 0 | 111.8 | H687 R688 K709 | H687-E694 CarbonylContact C-O 3.42Å; H687-E694 VanDerWaalsContact CA-O 3.32Å; H687-E694 WeakPolarHBondContact CA-O 3.33Å; R688-E694 HydrophobicContact CB-CB 3.95Å; R688-E694 IonicContact CZ-OE2 3.78Å; R688-E694 PolarHBondContact N-O 3.37Å; R688-E694 IonicContact NH1-OE1 3.36Å; R688-E694 IonicContact NH1-OE2 2.94Å; R688-E694 PolarHBondContact NH1-OE2 3.04Å; E694-K709 IonicContact OE1-NZ 3.96Å; E694-K709 PolarHBondContact OE1-NZ 3.12Å | ||
| 695 | Y | 90.9 | Very high | 84.1 | Confident | 11 Ų | 11 | 58 Ų | 58 | 4% | 0.043 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 155.3 | -176.9 | -61 | -96.2 | 0 | 0 | 0 | 113.2 | Y656 F662 V685 R686 H687 I710 I728 | Y656-Y695 HydrophobicContact CD2-CE1 4.25Å; Y656-Y695 HydrophobicContact CE2-CE1 4.46Å; F662-Y695 HydrophobicContact CE2-CD1 4.1Å; F662-Y695 AromaticContact CE2-CE1 3.78Å; F662-Y695 HydrophobicContact CE2-CE1 3.78Å; F662-Y695 HydrophobicContact CZ-CE1 4.2Å; V685-Y695 HydrophobicContact CG1-CD1 4.17Å; R686-Y695 CarbonylContact O-C 3.57Å; R686-Y695 WeakPolarHBondContact O-CA 3.44Å; H687-Y695 AromaticContact CE1-CE1 3.26Å; H687-Y695 WeakPolarHBondContact CE1-CE1 3.17Å; H687-Y695 AromaticContact CE1-CZ 3.53Å; H687-Y695 AromaticContact ND1-CD1 3.79Å; H687-Y695 AromaticContact ND1-CE1 3.46Å; H687-Y695 WeakPolarHBondContact ND1-CE1 3.47Å; H687-Y695 AromaticContact ND1-CZ 3.84Å; Y695-I710 PolarHBondContact O-N 3.35Å; Y695-I728 HydrophobicContact CD1-CD1 3.68Å; Y695-I728 HydrophobicContact CD2-CD1 3.2Å; Y695-I728 HydrophobicContact CE1-CD1 3.82Å; Y695-I728 HydrophobicContact CE2-CD1 3.37Å; Y695-I728 HydrophobicContact CG-CD1 3.35Å |
| 696 | A | 93.6 | Very high | 84 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 148.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V685 R686 I708 | V685-A696 WeakPolarHBondContact CA-O 2.87Å; R686-A696 HydrophobicContact CG-CB 4.31Å; R686-A696 PolarHBondContact N-O 3.16Å; R686-A696 PolarHBondContact O-N 3.2Å; A696-I708 CarbonylContact C-O 3.53Å; A696-I708 VanDerWaalsContact CA-O 3.23Å; A696-I708 WeakPolarHBondContact CA-O 3.22Å; A696-I708 WeakPolarHBondContact CB-O 3.26Å |
| 697 | I | 95.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.5 | 171.3 | -49.8 | 178.6 | 0 | 0 | 0 | 108.1 | Y683 L684 V685 H707 I708 I710 I719 L731 I732 L751 | Y683-I697 HydrophobicContact CD2-CG2 4.4Å; L684-I697 CarbonylContact O-C 3.4Å; L684-I697 WeakPolarHBondContact O-CA 3.12Å; V685-I697 HydrophobicContact CG2-CG1 4.28Å; I697-H707 CarbonylContact O-C 3.58Å; I697-H707 VanDerWaalsContact O-CA 3.31Å; I697-H707 WeakPolarHBondContact O-CA 3.21Å; I697-I708 HydrophobicContact CB-CB 4.35Å; I697-I708 PolarHBondContact N-O 3.02Å; I697-I708 PolarHBondContact O-N 2.76Å; I697-I710 HydrophobicContact CD1-CD1 4.26Å; I697-I710 HydrophobicContact CD1-CG1 4.39Å; I697-I710 HydrophobicContact CG1-CD1 3.8Å; I697-I710 HydrophobicContact CG1-CG1 3.97Å; I697-I719 HydrophobicContact CD1-CG2 4.32Å; I697-L731 HydrophobicContact CD1-CD2 3.88Å; I697-I732 HydrophobicContact CD1-CD1 3.74Å; I697-I732 HydrophobicContact CG1-CD1 4.2Å; I697-L751 HydrophobicContact CD1-CD1 4.24Å; I697-L751 HydrophobicContact CG2-CD2 3.94Å |
| 698 | S | 97.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 130.8 | 168.7 | -53.4 | 0 | 0 | 0 | 0 | 108.5 | A671 L675 Y683 L684 R686 K706 H707 | A671-S698 WeakPolarHBondContact CB-OG 3.37Å; L675-S698 WeakPolarHBondContact CD1-O 3.27Å; Y683-S698 CarbonylContact C-O 3.42Å; Y683-S698 WeakPolarHBondContact CA-O 3.48Å; Y683-S698 WeakPolarHBondContact CB-O 3.28Å; L684-S698 PolarHBondContact N-O 3.1Å; L684-S698 PolarHBondContact O-N 3.12Å; R686-S698 PolarHBondContact NE-OG 3.47Å; S698-K706 CarbonylContact C-O 3.56Å; S698-K706 WeakPolarHBondContact CA-O 3.39Å; S698-H707 WeakPolarHBondContact CB-ND1 3.41Å; S698-H707 PolarHBondContact OG-CE1 3.19Å; S698-H707 PolarHBondContact OG-ND1 3.29Å |
| 699 | I | 96.3 | Very high | 85 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 136.5 | -175.8 | -179.7 | 161.9 | 0 | 0 | 0 | 111.7 | T682 V705 K706 L740 L747 T749 L751 | T682-I699 WeakPolarHBondContact O-CA 3.38Å; I699-V705 CarbonylContact O-C 3.59Å; I699-V705 WeakPolarHBondContact O-CA 3.2Å; I699-K706 HydrophobicContact CG2-CB 4.25Å; I699-K706 PolarHBondContact N-O 3.42Å; I699-K706 PolarHBondContact O-N 3.49Å; I699-L740 HydrophobicContact CD1-CD1 4.15Å; I699-L747 HydrophobicContact CG2-CD2 4.37Å; I699-T749 HydrophobicContact CD1-CG2 3.75Å; I699-L751 HydrophobicContact CD1-CD2 3.81Å |
| 700 | K | 94.9 | Very high | 86.2 | Confident | 12 Ų | 12 | 58 Ų | 58 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 123.6 | 172.6 | -179.1 | 70 | 173.1 | -170.6 | 0 | 110.4 | L675 I676 S681 T682 N703 D704 V705 | L675-K700 HydrophobicContact CB-CB 4.5Å; L675-K700 WeakPolarHBondContact O-CD 3.2Å; I676-K700 WeakPolarHBondContact O-CE 3.42Å; I676-K700 PolarHBondContact O-NZ 3.17Å; S681-K700 PolarHBondContact N-O 3.06Å; T682-K700 PolarHBondContact O-N 3.04Å; K700-N703 VanDerWaalsContact NZ-C 3.34Å; K700-N703 PolarHBondContact NZ-O 2.9Å; K700-D704 WeakPolarHBondContact CA-O 3.22Å; K700-V705 HydrophobicContact CD-CG2 4.27Å |
| 701 | Y | 92.8 | Very high | 87.5 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 15% | 0.153 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 129 | 177.3 | -177.6 | -104.9 | 0 | 0 | 0 | 111.6 | N680 N703 D704 S746 L747 D748 T749 | N680-Y701 WeakPolarHBondContact OD1-CA 3.48Å; Y701-N703 PolarHBondContact O-N 3.09Å; Y701-D704 PolarHBondContact N-O 3.3Å; Y701-D704 PolarHBondContact O-N 2.62Å; Y701-D704 VanDerWaalsContact O-N 3.12Å; Y701-S746 WeakPolarHBondContact CE1-O 3.23Å; Y701-L747 HydrophobicContact CD1-CD1 3.48Å; Y701-L747 VanDerWaalsContact CD1-CD1 3.48Å; Y701-L747 HydrophobicContact CD2-CD1 4.04Å; Y701-L747 HydrophobicContact CE1-CD1 4.09Å; Y701-L747 HydrophobicContact CG-CD1 3.43Å; Y701-L747 VanDerWaalsContact CG-CD1 3.43Å; Y701-D748 WeakPolarHBondContact CE2-O 3.26Å; Y701-D748 PolarHBondContact OH-N 3Å; Y701-T749 HydrophobicContact CD2-CG2 3.67Å; Y701-T749 HydrophobicContact CE2-CG2 4.17Å; Y701-T749 HydrophobicContact CG-CG2 4.32Å |
| 702 | N | 86.8 | Confident | 88.6 | Confident | 106 Ų | 106 | 48 Ų | 48 | 57% | 0.567 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50 | 52.2 | 179.9 | -70.4 | -9.1 | 0 | 0 | 0 | 113.2 | N680 D704 | N680-N702 PolarHBondContact OD1-N 3Å; N702-D704 PolarHBondContact O-N 2.89Å |
| 703 | N | 81.3 | Confident | 88.9 | Confident | 121 Ų | 121 | 48.4 Ų | 48.4 | 65% | 0.647 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | -3.8 | -178 | -69.9 | -15.6 | 0 | 0 | 0 | 116.6 | K700 Y701 | K700-N703 VanDerWaalsContact NZ-C 3.34Å; K700-N703 PolarHBondContact NZ-O 2.9Å; Y701-N703 PolarHBondContact O-N 3.09Å |
| 704 | D | 87 | Confident | 89.3 | Confident | 85 Ų | 85 | 51.9 Ų | 51.9 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 162.8 | 173.6 | -69.4 | -22.9 | 0 | 0 | 0 | 112 | K700 Y701 N702 K706 | K700-D704 WeakPolarHBondContact CA-O 3.22Å; Y701-D704 PolarHBondContact N-O 3.3Å; Y701-D704 PolarHBondContact O-N 2.62Å; Y701-D704 VanDerWaalsContact O-N 3.12Å; N702-D704 PolarHBondContact O-N 2.89Å; D704-K706 HydrophobicContact CB-CD 4.48Å; D704-K706 IonicContact OD2-NZ 2.82Å; D704-K706 PolarHBondContact OD2-NZ 3.35Å |
| 705 | V | 93.5 | Very high | 88.8 | Confident | 14 Ų | 14 | 51.6 Ų | 51.6 | 9% | 0.085 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 126 | 166.7 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | E672 L675 I699 K700 | E672-V705 HydrophobicContact CG-CB 4.04Å; E672-V705 HydrophobicContact CG-CG1 4.2Å; L675-V705 HydrophobicContact CB-CG1 4.4Å; L675-V705 HydrophobicContact CB-CG2 3.78Å; L675-V705 HydrophobicContact CD1-CG1 3.92Å; I699-V705 CarbonylContact O-C 3.59Å; I699-V705 WeakPolarHBondContact O-CA 3.2Å; K700-V705 HydrophobicContact CD-CG2 4.27Å |
| 706 | K | 93.4 | Very high | 88.2 | Confident | 80 Ų | 80 | 52.8 Ų | 52.8 | 35% | 0.348 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 142.9 | 177.1 | -55.2 | -56.9 | 177 | -163.4 | 0 | 109.6 | S698 I699 D704 L747 | S698-K706 CarbonylContact C-O 3.56Å; S698-K706 WeakPolarHBondContact CA-O 3.39Å; I699-K706 HydrophobicContact CG2-CB 4.25Å; I699-K706 PolarHBondContact N-O 3.42Å; I699-K706 PolarHBondContact O-N 3.49Å; D704-K706 HydrophobicContact CB-CD 4.48Å; D704-K706 IonicContact OD2-NZ 2.82Å; D704-K706 PolarHBondContact OD2-NZ 3.35Å; K706-L747 HydrophobicContact CB-CD1 4.46Å; K706-L747 HydrophobicContact CB-CD2 4.45Å; K706-L747 HydrophobicContact CG-CD1 4.15Å |
| 707 | H | 93.6 | Very high | 87.9 | Confident | 43 Ų | 43 | 55 Ų | 55 | 20% | 0.199 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.3 | -178.9 | -55.1 | -86.3 | 0 | 0 | 0 | 110.9 | R668 E672 I697 S698 | R668-H707 WeakPolarHBondContact CG-NE2 3.43Å; R668-H707 VanDerWaalsContact CZ-CD2 3.43Å; R668-H707 PolarHBondContact NE-CD2 3.07Å; R668-H707 PolarHBondContact NE-NE2 3.48Å; R668-H707 PolarHBondContact NH2-CD2 3.04Å; E672-H707 WeakPolarHBondContact CG-NE2 3.21Å; E672-H707 IonicContact OE1-CD2 2.61Å; E672-H707 IonicContact OE1-NE2 3.92Å; E672-H707 PolarHBondContact OE1-NE2 2.81Å; E672-H707 VanDerWaalsContact OE1-NE2 3.11Å; I697-H707 CarbonylContact O-C 3.58Å; I697-H707 VanDerWaalsContact O-CA 3.31Å; I697-H707 WeakPolarHBondContact O-CA 3.21Å; S698-H707 WeakPolarHBondContact CB-ND1 3.41Å; S698-H707 PolarHBondContact OG-CE1 3.19Å; S698-H707 PolarHBondContact OG-ND1 3.29Å |
| 708 | I | 93.1 | Very high | 87.6 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 125.4 | -178.2 | -61.8 | 158.9 | 0 | 0 | 0 | 108.5 | A696 I697 I719 L740 F744 L747 | A696-I708 CarbonylContact C-O 3.53Å; A696-I708 VanDerWaalsContact CA-O 3.23Å; A696-I708 WeakPolarHBondContact CA-O 3.22Å; A696-I708 WeakPolarHBondContact CB-O 3.26Å; I697-I708 HydrophobicContact CB-CB 4.35Å; I697-I708 PolarHBondContact N-O 3.02Å; I697-I708 PolarHBondContact O-N 2.76Å; I708-I719 HydrophobicContact CG2-CB 3.72Å; I708-I719 HydrophobicContact CG2-CD1 4.39Å; I708-I719 HydrophobicContact CG2-CG2 3.59Å; I708-L740 HydrophobicContact CD1-CD1 3.94Å; I708-L740 HydrophobicContact CD1-CD2 4.11Å; I708-F744 HydrophobicContact CB-CE2 4.5Å; I708-F744 HydrophobicContact CB-CZ 4.44Å; I708-F744 HydrophobicContact CD1-CD2 4.27Å; I708-F744 HydrophobicContact CD1-CE2 4.14Å; I708-F744 HydrophobicContact CG1-CD2 4.4Å; I708-F744 HydrophobicContact CG1-CE2 4.03Å; I708-F744 HydrophobicContact CG1-CZ 4.19Å; I708-F744 HydrophobicContact CG2-CE2 3.64Å; I708-F744 HydrophobicContact CG2-CZ 3.55Å; I708-L747 HydrophobicContact CD1-CD2 3.73Å; I708-L747 HydrophobicContact CG1-CD2 4.39Å |
| 709 | K | 92.1 | Very high | 87.3 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 37% | 0.365 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 131.2 | 174 | -174.5 | 175.6 | -178.2 | -179.9 | 0 | 109.5 | E694 L711 | E694-K709 IonicContact OE1-NZ 3.96Å; E694-K709 PolarHBondContact OE1-NZ 3.12Å; K709-L711 HydrophobicContact CD-CD2 3.72Å; K709-L711 HydrophobicContact CG-CD2 3.99Å |
| 710 | I | 91.9 | Very high | 86.6 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 120.1 | 167.6 | -54.6 | -178.3 | 0 | 0 | 0 | 107.4 | V685 Y695 I697 Y717 I719 I728 L731 | V685-I710 HydrophobicContact CG1-CD1 4.27Å; Y695-I710 PolarHBondContact O-N 3.35Å; I697-I710 HydrophobicContact CD1-CD1 4.26Å; I697-I710 HydrophobicContact CD1-CG1 4.39Å; I697-I710 HydrophobicContact CG1-CD1 3.8Å; I697-I710 HydrophobicContact CG1-CG1 3.97Å; I710-Y717 HydrophobicContact CG2-CD1 4.08Å; I710-I719 HydrophobicContact CG1-CG2 4.15Å; I710-I728 HydrophobicContact CD1-CG2 4.24Å; I710-L731 HydrophobicContact CG2-CD1 4.05Å |
| 711 | L | 85.7 | Confident | 85.6 | Confident | 63 Ų | 63 | 64.1 Ų | 64.1 | 33% | 0.33 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 142.9 | 178.3 | -60.2 | 176 | 0 | 0 | 0 | 109.6 | K709 Y717 Y718 | K709-L711 HydrophobicContact CD-CD2 3.72Å; K709-L711 HydrophobicContact CG-CD2 3.99Å; L711-Y717 WeakPolarHBondContact O-CA 3.33Å; L711-Y718 HydrophobicContact CB-CD1 4.46Å; L711-Y718 HydrophobicContact CB-CD2 4.12Å; L711-Y718 HydrophobicContact CB-CE1 4.09Å; L711-Y718 HydrophobicContact CB-CE2 3.73Å; L711-Y718 HydrophobicContact CB-CG 4.46Å; L711-Y718 HydrophobicContact CD1-CD2 4.33Å; L711-Y718 HydrophobicContact CD1-CE2 3.7Å; L711-Y718 HydrophobicContact CG-CE2 4.35Å; L711-Y718 PolarHBondContact N-O 3.13Å; L711-Y718 PolarHBondContact O-N 3.15Å |
| 712 | T | 82.4 | Confident | 84.8 | Confident | 74 Ų | 74 | 67.7 Ų | 67.7 | 45% | 0.454 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.1 | 178.3 | -51 | 0 | 0 | 0 | 0 | 109.5 | C716 Y717 | T712-C716 WeakPolarHBondContact CA-O 3.35Å; T712-Y717 HydrophobicContact CG2-CD1 4.3Å; T712-Y717 HydrophobicContact CG2-CE1 4.04Å; T712-Y717 WeakPolarHBondContact OG1-CD1 3.22Å; T712-Y717 WeakPolarHBondContact OG1-CE1 3.3Å |
| 713 | K | 76.3 | Confident | 84.5 | Confident | 120 Ų | 120 | 66.4 Ų | 66.4 | 52% | 0.522 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 133.3 | 174.8 | -172.7 | 175.6 | 177 | 179.2 | 0 | 109.4 | G715 C716 Y718 | K713-G715 PolarHBondContact O-N 2.74Å; K713-C716 PolarHBondContact N-O 2.96Å; K713-C716 PolarHBondContact O-N 2.64Å; K713-Y718 HydrophobicContact CB-CE1 3.98Å |
| 714 | E | 74.8 | Confident | 84.9 | Confident | 163 Ų | 163 | 66.4 Ų | 66.4 | 76% | 0.762 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 36.9 | 178.7 | -66.1 | 161.7 | -155.2 | 0 | 0 | 113.5 | C716 | E714-C716 PolarHBondContact O-N 3.08Š|
| 715 | G | 71.1 | Confident | 84.9 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 58% | 0.577 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 8.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K713 | K713-G715 PolarHBondContact O-N 2.74Š|
| 716 | C | 78.5 | Confident | 84.2 | Confident | 36 Ų | 36 | 72.2 Ų | 72.2 | 24% | 0.243 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 147.2 | 175.9 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | T712 K713 E714 K724 F725 | T712-C716 WeakPolarHBondContact CA-O 3.35Å; K713-C716 PolarHBondContact N-O 2.96Å; K713-C716 PolarHBondContact O-N 2.64Å; E714-C716 PolarHBondContact O-N 3.08Å; C716-K724 HydrophobicContact CB-CB 4.22Å; C716-F725 CarbonylContact C-O 3.53Å; C716-F725 WeakPolarHBondContact CA-O 3.18Å; C716-F725 WeakPolarHBondContact CB-O 3.43Å |
| 717 | Y | 88.1 | Confident | 83.8 | Confident | 48 Ų | 48 | 69.7 Ų | 69.7 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 140.3 | 179.9 | -58.6 | -88.7 | 0 | 0 | 0 | 110.9 | I710 L711 T712 F725 I728 | I710-Y717 HydrophobicContact CG2-CD1 4.08Å; L711-Y717 WeakPolarHBondContact O-CA 3.33Å; T712-Y717 HydrophobicContact CG2-CD1 4.3Å; T712-Y717 HydrophobicContact CG2-CE1 4.04Å; T712-Y717 WeakPolarHBondContact OG1-CD1 3.22Å; T712-Y717 WeakPolarHBondContact OG1-CE1 3.3Å; Y717-F725 PolarHBondContact N-O 3.46Å; Y717-F725 WeakPolarHBondContact O-CD2 3.38Å; Y717-F725 PolarHBondContact O-N 3.32Å; Y717-I728 HydrophobicContact CD1-CD1 4.09Å; Y717-I728 HydrophobicContact CD1-CG1 3.58Å; Y717-I728 HydrophobicContact CD2-CG1 4.32Å; Y717-I728 HydrophobicContact CE1-CD1 3.92Å; Y717-I728 HydrophobicContact CE1-CG1 3.75Å; Y717-I728 HydrophobicContact CE2-CG1 4.48Å; Y717-I728 HydrophobicContact CG-CG1 3.87Å |
| 718 | Y | 89.9 | Confident | 83.5 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 9% | 0.086 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 156 | 177.2 | 58 | -80.7 | 0 | 0 | 0 | 112.3 | L711 K713 E721 K723 K724 | L711-Y718 HydrophobicContact CB-CD1 4.46Å; L711-Y718 HydrophobicContact CB-CD2 4.12Å; L711-Y718 HydrophobicContact CB-CE1 4.09Å; L711-Y718 HydrophobicContact CB-CE2 3.73Å; L711-Y718 HydrophobicContact CB-CG 4.46Å; L711-Y718 HydrophobicContact CD1-CD2 4.33Å; L711-Y718 HydrophobicContact CD1-CE2 3.7Å; L711-Y718 HydrophobicContact CG-CE2 4.35Å; L711-Y718 PolarHBondContact N-O 3.13Å; L711-Y718 PolarHBondContact O-N 3.15Å; K713-Y718 HydrophobicContact CB-CE1 3.98Å; Y718-E721 HydrophobicContact CE2-CG 4.05Å; Y718-K723 WeakPolarHBondContact CB-O 3.26Å; Y718-K724 HydrophobicContact CD1-CG 4.24Å; Y718-K724 HydrophobicContact CG-CG 4.41Å |
| 719 | I | 88.9 | Confident | 83.3 | Confident | 12 Ų | 12 | 71 Ų | 71 | 6% | 0.062 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | -15.6 | 170.5 | 63.1 | 176.9 | 0 | 0 | 0 | 112.7 | I697 I708 I710 L731 Y735 L740 F744 | I697-I719 HydrophobicContact CD1-CG2 4.32Å; I708-I719 HydrophobicContact CG2-CB 3.72Å; I708-I719 HydrophobicContact CG2-CD1 4.39Å; I708-I719 HydrophobicContact CG2-CG2 3.59Å; I710-I719 HydrophobicContact CG1-CG2 4.15Å; I719-L731 HydrophobicContact CG2-CD1 4.24Å; I719-L731 HydrophobicContact CG2-CD2 4.3Å; I719-Y735 HydrophobicContact CD1-CD1 4.3Å; I719-Y735 HydrophobicContact CD1-CD2 3.71Å; I719-Y735 HydrophobicContact CD1-CE1 3.97Å; I719-Y735 HydrophobicContact CD1-CE2 3.33Å; I719-Y735 HydrophobicContact CD1-CG 4.19Å; I719-Y735 VanDerWaalsContact CD1-CZ 3.47Å; I719-Y735 HydrophobicContact CG1-CD2 4.33Å; I719-Y735 HydrophobicContact CG1-CE2 3.51Å; I719-L740 HydrophobicContact CD1-CD2 3.39Å; I719-F744 HydrophobicContact CB-CE2 4.24Å; I719-F744 HydrophobicContact CD1-CE2 4.17Å; I719-F744 HydrophobicContact CG1-CE2 4.31Å |
| 720 | A | 82.7 | Confident | 83 | Confident | 14 Ų | 14 | 71 Ų | 71 | 12% | 0.116 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 138.5 | 173 | 0 | 0 | 0 | 0 | 0 | 108.7 | N722 K723 | A720-N722 VanDerWaalsContact CB-OD1 3.23Å; A720-N722 WeakPolarHBondContact CB-OD1 3.42Å; A720-N722 PolarHBondContact O-N 3.27Å; A720-N722 VanDerWaalsContact O-N 3.11Å; A720-K723 PolarHBondContact O-N 2.77Å |
| 721 | E | 74.5 | Confident | 83 | Confident | 157 Ų | 157 | 70.9 Ų | 70.9 | 73% | 0.734 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.1 | -169.7 | -66 | -169.5 | 163.4 | 0 | 0 | 114.5 | Y718 K723 | Y718-E721 HydrophobicContact CE2-CG 4.05Å; E721-K723 VanDerWaalsContact C-N 3.27Å; E721-K723 PolarHBondContact O-N 3.35Å |
| 722 | N | 74.9 | Confident | 83.4 | Confident | 114 Ų | 114 | 67.9 Ų | 67.9 | 61% | 0.61 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -11.9 | 179.3 | 61.8 | -12.7 | 0 | 0 | 0 | 114 | A720 | A720-N722 VanDerWaalsContact CB-OD1 3.23Å; A720-N722 WeakPolarHBondContact CB-OD1 3.42Å; A720-N722 PolarHBondContact O-N 3.27Å; A720-N722 VanDerWaalsContact O-N 3.11Å |
| 723 | K | 81.8 | Confident | 83.8 | Confident | 79 Ų | 79 | 68.3 Ų | 68.3 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 118.5 | -177.6 | -155.9 | 112.9 | -178.4 | -172.2 | 0 | 111.8 | Y718 A720 E721 F725 Y734 | Y718-K723 WeakPolarHBondContact CB-O 3.26Å; A720-K723 PolarHBondContact O-N 2.77Å; E721-K723 VanDerWaalsContact C-N 3.27Å; E721-K723 PolarHBondContact O-N 3.35Å; K723-F725 HydrophobicContact CB-CE2 4.31Å; K723-F725 HydrophobicContact CB-CZ 4.38Å; K723-F725 HydrophobicContact CG-CE1 4.24Å; K723-F725 HydrophobicContact CG-CE2 3.97Å; K723-F725 HydrophobicContact CG-CZ 3.59Å; K723-Y734 HydrophobicContact CD-CE1 4.24Å; K723-Y734 HydrophobicContact CD-CE2 4.3Å; K723-Y734 WeakPolarHBondContact CE-OH 3.37Å; K723-Y734 PolarHBondContact NZ-OH 2.9Å |
| 724 | K | 88.6 | Confident | 84.5 | Confident | 121 Ų | 121 | 64.3 Ų | 64.3 | 53% | 0.526 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.7 | -177.7 | -61.5 | 179.2 | -176.9 | 177.1 | 0 | 111.1 | C716 Y718 | C716-K724 HydrophobicContact CB-CB 4.22Å; Y718-K724 HydrophobicContact CD1-CG 4.24Å; Y718-K724 HydrophobicContact CG-CG 4.41Å |
| 725 | F | 86.4 | Confident | 85.4 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 151.4 | -176.1 | -56.2 | -84.4 | 0 | 0 | 0 | 111 | C716 Y717 K723 E730 L731 Y734 Y735 | C716-F725 CarbonylContact C-O 3.53Å; C716-F725 WeakPolarHBondContact CA-O 3.18Å; C716-F725 WeakPolarHBondContact CB-O 3.43Å; Y717-F725 PolarHBondContact N-O 3.46Å; Y717-F725 WeakPolarHBondContact O-CD2 3.38Å; Y717-F725 PolarHBondContact O-N 3.32Å; K723-F725 HydrophobicContact CB-CE2 4.31Å; K723-F725 HydrophobicContact CB-CZ 4.38Å; K723-F725 HydrophobicContact CG-CE1 4.24Å; K723-F725 HydrophobicContact CG-CE2 3.97Å; K723-F725 HydrophobicContact CG-CZ 3.59Å; F725-E730 HydrophobicContact CB-CB 4.15Å; F725-E730 HydrophobicContact CD1-CB 4.22Å; F725-L731 HydrophobicContact CB-CB 4.02Å; F725-L731 HydrophobicContact CD2-CB 3.66Å; F725-L731 HydrophobicContact CD2-CD1 3.82Å; F725-L731 HydrophobicContact CD2-CG 3.65Å; F725-L731 HydrophobicContact CE2-CB 4.24Å; F725-L731 HydrophobicContact CE2-CD1 4.34Å; F725-L731 HydrophobicContact CE2-CG 3.91Å; F725-L731 HydrophobicContact CG-CB 3.8Å; F725-L731 HydrophobicContact CG-CG 4.32Å; F725-Y734 VanDerWaalsContact CE1-CB 3.43Å; F725-Y734 HydrophobicContact CE1-CD1 4.04Å; F725-Y734 HydrophobicContact CE1-CD2 4.05Å; F725-Y734 AromaticContact CE1-CG 3.56Å; F725-Y734 HydrophobicContact CE1-CG 3.56Å; F725-Y734 AromaticContact CZ-CD1 3.52Å; F725-Y734 HydrophobicContact CZ-CD1 3.52Å; F725-Y734 HydrophobicContact CZ-CD2 4.3Å; F725-Y734 HydrophobicContact CZ-CE1 4.21Å; F725-Y734 AromaticContact CZ-CG 3.56Å; F725-Y734 HydrophobicContact CZ-CG 3.56Å; F725-Y735 AromaticContact CE2-CE2 3.86Å; F725-Y735 HydrophobicContact CE2-CE2 3.86Å; F725-Y735 HydrophobicContact CZ-CE2 4.07Å |
| 726 | R | 80.2 | Confident | 86.3 | Confident | 203 Ų | 203 | 56.9 Ų | 56.9 | 77% | 0.766 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -83.4 | -15.8 | -178.2 | -61 | 177 | 178.7 | 169.7 | 0 | 112.6 | E730 | R726-E730 WeakPolarHBondContact CB-OE2 3.4Å; R726-E730 PolarHBondContact N-OE2 2.83Å |
| 727 | S | 84.5 | Confident | 86.8 | Confident | 28 Ų | 28 | 61.5 Ų | 61.5 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -148.6 | 163.4 | 174.9 | 71.1 | 0 | 0 | 0 | 0 | 111.9 | L729 E730 L731 | S727-L729 PolarHBondContact O-N 3.46Å; S727-L729 PolarHBondContact OG-N 3.15Å; S727-E730 PolarHBondContact O-N 2.91Å; S727-E730 PolarHBondContact OG-N 3.1Å; S727-E730 VanDerWaalsContact OG-N 3.15Å; S727-L731 PolarHBondContact O-N 3.19Å |
| 728 | I | 87.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.3 | -34.4 | 172.1 | -62.8 | 177.3 | 0 | 0 | 0 | 110.7 | Y656 W661 V685 Y695 I710 Y717 E730 L731 I732 | Y656-I728 HydrophobicContact CE2-CB 4.13Å; Y656-I728 HydrophobicContact CE2-CD1 4Å; Y656-I728 HydrophobicContact CE2-CG1 4.45Å; W661-I728 HydrophobicContact CH2-CG2 4.04Å; W661-I728 HydrophobicContact CZ3-CG2 4.24Å; V685-I728 HydrophobicContact CG1-CG2 4.47Å; Y695-I728 HydrophobicContact CD1-CD1 3.68Å; Y695-I728 HydrophobicContact CD2-CD1 3.2Å; Y695-I728 HydrophobicContact CE1-CD1 3.82Å; Y695-I728 HydrophobicContact CE2-CD1 3.37Å; Y695-I728 HydrophobicContact CG-CD1 3.35Å; I710-I728 HydrophobicContact CD1-CG2 4.24Å; Y717-I728 HydrophobicContact CD1-CD1 4.09Å; Y717-I728 HydrophobicContact CD1-CG1 3.58Å; Y717-I728 HydrophobicContact CD2-CG1 4.32Å; Y717-I728 HydrophobicContact CE1-CD1 3.92Å; Y717-I728 HydrophobicContact CE1-CG1 3.75Å; Y717-I728 HydrophobicContact CE2-CG1 4.48Å; Y717-I728 HydrophobicContact CG-CG1 3.87Å; I728-E730 PolarHBondContact O-N 2.91Å; I728-L731 WeakPolarHBondContact O-CB 3.46Å; I728-L731 PolarHBondContact O-N 3.2Å; I728-I732 HydrophobicContact CG2-CG1 4.1Å; I728-I732 VanDerWaalsContact O-CG1 3.31Å; I728-I732 WeakPolarHBondContact O-CG1 3.32Å; I728-I732 PolarHBondContact O-N 3.49Å |
| 729 | L | 87.7 | Confident | 86.9 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 39% | 0.393 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 177 | -171.7 | 72.8 | 0 | 0 | 0 | 111.4 | Y656 W661 S727 L731 I732 E733 | Y656-L729 HydrophobicContact CE1-CB 4.34Å; W661-L729 HydrophobicContact CZ2-CD1 3.89Å; S727-L729 PolarHBondContact O-N 3.46Å; S727-L729 PolarHBondContact OG-N 3.15Å; L729-L731 VanDerWaalsContact C-N 3.32Å; L729-L731 PolarHBondContact O-N 3.05Å; L729-I732 PolarHBondContact O-N 2.92Å; L729-E733 WeakPolarHBondContact O-CB 3.46Å; L729-E733 PolarHBondContact O-N 3.02Å |
| 730 | E | 86.8 | Confident | 87 | Confident | 86 Ų | 86 | 62.3 Ų | 62.3 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 176.1 | -75.5 | 178.4 | -174.1 | 0 | 0 | 112.1 | F725 R726 S727 I728 E733 Y734 | F725-E730 HydrophobicContact CB-CB 4.15Å; F725-E730 HydrophobicContact CD1-CB 4.22Å; R726-E730 WeakPolarHBondContact CB-OE2 3.4Å; R726-E730 PolarHBondContact N-OE2 2.83Å; S727-E730 PolarHBondContact O-N 2.91Å; S727-E730 PolarHBondContact OG-N 3.1Å; S727-E730 VanDerWaalsContact OG-N 3.15Å; I728-E730 PolarHBondContact O-N 2.91Å; E730-E733 PolarHBondContact O-N 2.83Å; E730-Y734 WeakPolarHBondContact O-CB 3.3Å; E730-Y734 PolarHBondContact O-N 2.78Å |
| 731 | L | 92.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.7 | -49.4 | 177.3 | -174.9 | 156.6 | 0 | 0 | 0 | 111.1 | I697 I710 I719 F725 S727 I728 L729 Y734 Y735 | I697-L731 HydrophobicContact CD1-CD2 3.88Å; I710-L731 HydrophobicContact CG2-CD1 4.05Å; I719-L731 HydrophobicContact CG2-CD1 4.24Å; I719-L731 HydrophobicContact CG2-CD2 4.3Å; F725-L731 HydrophobicContact CB-CB 4.02Å; F725-L731 HydrophobicContact CD2-CB 3.66Å; F725-L731 HydrophobicContact CD2-CD1 3.82Å; F725-L731 HydrophobicContact CD2-CG 3.65Å; F725-L731 HydrophobicContact CE2-CB 4.24Å; F725-L731 HydrophobicContact CE2-CD1 4.34Å; F725-L731 HydrophobicContact CE2-CG 3.91Å; F725-L731 HydrophobicContact CG-CB 3.8Å; F725-L731 HydrophobicContact CG-CG 4.32Å; S727-L731 PolarHBondContact O-N 3.19Å; I728-L731 WeakPolarHBondContact O-CB 3.46Å; I728-L731 PolarHBondContact O-N 3.2Å; L729-L731 VanDerWaalsContact C-N 3.32Å; L729-L731 PolarHBondContact O-N 3.05Å; L731-Y734 PolarHBondContact O-N 3.25Å; L731-Y735 HydrophobicContact CD2-CD2 3.95Å; L731-Y735 HydrophobicContact CD2-CE2 4.37Å; L731-Y735 HydrophobicContact CG-CD2 4.21Å; L731-Y735 HydrophobicContact CG-CE2 4.3Å; L731-Y735 VanDerWaalsContact O-CD2 3.31Å; L731-Y735 WeakPolarHBondContact O-CD2 3.26Å; L731-Y735 PolarHBondContact O-N 3.41Å; L731-Y735 VanDerWaalsContact O-N 3.16Å |
| 732 | I | 93.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 179.3 | -64.3 | -61 | 0 | 0 | 0 | 110.4 | W661 Y683 V685 I697 I728 L729 Y734 Y735 K736 L751 | W661-I732 HydrophobicContact CD2-CG2 4.24Å; W661-I732 HydrophobicContact CE3-CG1 4.42Å; W661-I732 HydrophobicContact CG-CG2 4.35Å; W661-I732 HydrophobicContact CH2-CG1 4.26Å; W661-I732 HydrophobicContact CZ2-CG1 4.35Å; W661-I732 HydrophobicContact CZ3-CG1 4.3Å; Y683-I732 HydrophobicContact CE2-CD1 4.37Å; Y683-I732 HydrophobicContact CE2-CG2 3.81Å; Y683-I732 WeakPolarHBondContact OH-CG2 3.37Å; V685-I732 HydrophobicContact CG2-CD1 3.52Å; V685-I732 HydrophobicContact CG2-CG1 4.11Å; I697-I732 HydrophobicContact CD1-CD1 3.74Å; I697-I732 HydrophobicContact CG1-CD1 4.2Å; I728-I732 HydrophobicContact CG2-CG1 4.1Å; I728-I732 VanDerWaalsContact O-CG1 3.31Å; I728-I732 WeakPolarHBondContact O-CG1 3.32Å; I728-I732 PolarHBondContact O-N 3.49Å; L729-I732 PolarHBondContact O-N 2.92Å; I732-Y734 VanDerWaalsContact C-N 3.29Å; I732-Y734 PolarHBondContact O-N 2.96Å; I732-Y735 PolarHBondContact O-N 3.29Å; I732-K736 WeakPolarHBondContact O-CG 3.33Å; I732-K736 PolarHBondContact O-N 2.82Å; I732-L751 HydrophobicContact CD1-CD1 3.56Å; I732-L751 HydrophobicContact CG2-CD1 4.19Å |
| 733 | E | 90.6 | Very high | 87.5 | Confident | 84 Ų | 84 | 61.6 Ų | 61.6 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62 | -37 | 179.8 | -166.9 | 57.1 | -146.6 | 0 | 0 | 112.7 | L729 E730 K736 H737 | L729-E733 WeakPolarHBondContact O-CB 3.46Å; L729-E733 PolarHBondContact O-N 3.02Å; E730-E733 PolarHBondContact O-N 2.83Å; E733-K736 WeakPolarHBondContact OE2-CD 3.49Å; E733-K736 IonicContact OE2-NZ 3.11Å; E733-K736 PolarHBondContact OE2-NZ 3.41Å; E733-H737 PolarHBondContact O-ND1 3.01Å; E733-H737 IonicContact OE1-CE1 3.72Å; E733-H737 PolarHBondContact OE1-CE1 3.34Å; E733-H737 IonicContact OE1-ND1 3.9Å |
| 734 | Y | 91.1 | Very high | 87.7 | Confident | 35 Ų | 35 | 61.2 Ų | 61.2 | 14% | 0.137 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.5 | -50.6 | 174.2 | -179.6 | -92.7 | 0 | 0 | 0 | 112.1 | K723 F725 E730 L731 I732 K736 H737 H738 E742 | K723-Y734 HydrophobicContact CD-CE1 4.24Å; K723-Y734 HydrophobicContact CD-CE2 4.3Å; K723-Y734 WeakPolarHBondContact CE-OH 3.37Å; K723-Y734 PolarHBondContact NZ-OH 2.9Å; F725-Y734 VanDerWaalsContact CE1-CB 3.43Å; F725-Y734 HydrophobicContact CE1-CD1 4.04Å; F725-Y734 HydrophobicContact CE1-CD2 4.05Å; F725-Y734 AromaticContact CE1-CG 3.56Å; F725-Y734 HydrophobicContact CE1-CG 3.56Å; F725-Y734 AromaticContact CZ-CD1 3.52Å; F725-Y734 HydrophobicContact CZ-CD1 3.52Å; F725-Y734 HydrophobicContact CZ-CD2 4.3Å; F725-Y734 HydrophobicContact CZ-CE1 4.21Å; F725-Y734 AromaticContact CZ-CG 3.56Å; F725-Y734 HydrophobicContact CZ-CG 3.56Å; E730-Y734 WeakPolarHBondContact O-CB 3.3Å; E730-Y734 PolarHBondContact O-N 2.78Å; L731-Y734 PolarHBondContact O-N 3.25Å; I732-Y734 VanDerWaalsContact C-N 3.29Å; I732-Y734 PolarHBondContact O-N 2.96Å; Y734-K736 VanDerWaalsContact C-N 3.28Å; Y734-K736 PolarHBondContact O-N 3.3Å; Y734-H737 PolarHBondContact O-N 3.13Å; Y734-H738 HydrophobicContact CD1-CB 4.02Å; Y734-H738 AromaticContact CD2-CE1 3.71Å; Y734-H738 AromaticContact CD2-ND1 3.58Å; Y734-H738 HydrophobicContact CE1-CB 3.52Å; Y734-H738 AromaticContact CE1-CG 3.62Å; Y734-H738 AromaticContact CE1-ND1 3.96Å; Y734-H738 HydrophobicContact CE2-CB 4.47Å; Y734-H738 AromaticContact CE2-CD2 3.71Å; Y734-H738 AromaticContact CE2-CE1 3.41Å; Y734-H738 VanDerWaalsContact CE2-CE1 3.41Å; Y734-H738 WeakPolarHBondContact CE2-CE1 3.19Å; Y734-H738 AromaticContact CE2-CG 3.65Å; Y734-H738 AromaticContact CE2-ND1 3.44Å; Y734-H738 WeakPolarHBondContact CE2-ND1 3.35Å; Y734-H738 AromaticContact CE2-NE2 3.55Å; Y734-H738 AromaticContact CG-ND1 3.88Å; Y734-H738 AromaticContact CZ-CD2 3.47Å; Y734-H738 VanDerWaalsContact CZ-CD2 3.47Å; Y734-H738 AromaticContact CZ-CE1 3.94Å; Y734-H738 AromaticContact CZ-CG 3.35Å; Y734-H738 AromaticContact CZ-ND1 3.65Å; Y734-H738 AromaticContact CZ-NE2 3.84Å; Y734-H738 PolarHBondContact O-N 2.97Å; Y734-H738 PolarHBondContact O-ND1 3.33Å; Y734-H738 PolarHBondContact OH-CD2 3.5Å; Y734-E742 PolarHBondContact OH-OE2 3.43Å |
| 735 | Y | 93.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -78.3 | -4.7 | -176.9 | -73.4 | -69.2 | 0 | 0 | 0 | 114.5 | I719 F725 L731 I732 H738 L740 T750 L751 | I719-Y735 HydrophobicContact CD1-CD1 4.3Å; I719-Y735 HydrophobicContact CD1-CD2 3.71Å; I719-Y735 HydrophobicContact CD1-CE1 3.97Å; I719-Y735 HydrophobicContact CD1-CE2 3.33Å; I719-Y735 HydrophobicContact CD1-CG 4.19Å; I719-Y735 VanDerWaalsContact CD1-CZ 3.47Å; I719-Y735 HydrophobicContact CG1-CD2 4.33Å; I719-Y735 HydrophobicContact CG1-CE2 3.51Å; F725-Y735 AromaticContact CE2-CE2 3.86Å; F725-Y735 HydrophobicContact CE2-CE2 3.86Å; F725-Y735 HydrophobicContact CZ-CE2 4.07Å; L731-Y735 HydrophobicContact CD2-CD2 3.95Å; L731-Y735 HydrophobicContact CD2-CE2 4.37Å; L731-Y735 HydrophobicContact CG-CD2 4.21Å; L731-Y735 HydrophobicContact CG-CE2 4.3Å; L731-Y735 VanDerWaalsContact O-CD2 3.31Å; L731-Y735 WeakPolarHBondContact O-CD2 3.26Å; L731-Y735 PolarHBondContact O-N 3.41Å; L731-Y735 VanDerWaalsContact O-N 3.16Å; I732-Y735 PolarHBondContact O-N 3.29Å; Y735-H738 WeakPolarHBondContact CD1-O 3.48Å; Y735-L740 HydrophobicContact CD1-CD2 3.62Å; Y735-L740 HydrophobicContact CD1-CG 4.34Å; Y735-L740 HydrophobicContact CE1-CD2 4.08Å; Y735-L740 HydrophobicContact CG-CD2 3.89Å; Y735-T750 WeakPolarHBondContact O-CB 3.48Å; Y735-L751 PolarHBondContact O-N 3.37Å |
| 736 | K | 90.6 | Very high | 87 | Confident | 64 Ų | 64 | 68.9 Ų | 68.9 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.4 | -31.8 | 160.2 | -76.5 | 177.4 | -176.5 | 168.9 | 0 | 111.9 | Y683 I732 E733 Y734 T750 L751 | Y683-K736 WeakPolarHBondContact OH-CE 3.41Å; I732-K736 WeakPolarHBondContact O-CG 3.33Å; I732-K736 PolarHBondContact O-N 2.82Å; E733-K736 WeakPolarHBondContact OE2-CD 3.49Å; E733-K736 IonicContact OE2-NZ 3.11Å; E733-K736 PolarHBondContact OE2-NZ 3.41Å; Y734-K736 VanDerWaalsContact C-N 3.28Å; Y734-K736 PolarHBondContact O-N 3.3Å; K736-T750 WeakPolarHBondContact O-CB 3.45Å; K736-L751 HydrophobicContact CG-CB 4.34Å; K736-L751 WeakPolarHBondContact CG-O 3.43Å |
| 737 | H | 87.7 | Confident | 87.4 | Confident | 132 Ų | 132 | 59.6 Ų | 59.6 | 61% | 0.611 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -112.4 | -14 | -171.8 | -58.3 | 94.8 | 0 | 0 | 0 | 113.8 | E733 Y734 | E733-H737 PolarHBondContact O-ND1 3.01Å; E733-H737 IonicContact OE1-CE1 3.72Å; E733-H737 PolarHBondContact OE1-CE1 3.34Å; E733-H737 IonicContact OE1-ND1 3.9Å; Y734-H737 PolarHBondContact O-N 3.13Å |
| 738 | H | 89.1 | Confident | 87.7 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -122.1 | 136 | -177.5 | -60.4 | 77.5 | 0 | 0 | 0 | 110.7 | Y734 Y735 | Y734-H738 HydrophobicContact CD1-CB 4.02Å; Y734-H738 AromaticContact CD2-CE1 3.71Å; Y734-H738 AromaticContact CD2-ND1 3.58Å; Y734-H738 HydrophobicContact CE1-CB 3.52Å; Y734-H738 AromaticContact CE1-CG 3.62Å; Y734-H738 AromaticContact CE1-ND1 3.96Å; Y734-H738 HydrophobicContact CE2-CB 4.47Å; Y734-H738 AromaticContact CE2-CD2 3.71Å; Y734-H738 AromaticContact CE2-CE1 3.41Å; Y734-H738 VanDerWaalsContact CE2-CE1 3.41Å; Y734-H738 WeakPolarHBondContact CE2-CE1 3.19Å; Y734-H738 AromaticContact CE2-CG 3.65Å; Y734-H738 AromaticContact CE2-ND1 3.44Å; Y734-H738 WeakPolarHBondContact CE2-ND1 3.35Å; Y734-H738 AromaticContact CE2-NE2 3.55Å; Y734-H738 AromaticContact CG-ND1 3.88Å; Y734-H738 AromaticContact CZ-CD2 3.47Å; Y734-H738 VanDerWaalsContact CZ-CD2 3.47Å; Y734-H738 AromaticContact CZ-CE1 3.94Å; Y734-H738 AromaticContact CZ-CG 3.35Å; Y734-H738 AromaticContact CZ-ND1 3.65Å; Y734-H738 AromaticContact CZ-NE2 3.84Å; Y734-H738 PolarHBondContact O-N 2.97Å; Y734-H738 PolarHBondContact O-ND1 3.33Å; Y734-H738 PolarHBondContact OH-CD2 3.5Å; Y735-H738 WeakPolarHBondContact CD1-O 3.48Å |
| 739 | S | 91.4 | Very high | 88 | Confident | 28 Ų | 28 | 62.6 Ų | 62.6 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | trans | -65.2 | 137 | -176.6 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | R741 E742 D748 | S739-R741 PolarHBondContact O-N 3.01Å; S739-R741 VanDerWaalsContact O-N 3.11Å; S739-R741 VanDerWaalsContact OG-CB 3.3Å; S739-R741 WeakPolarHBondContact OG-CB 3.29Å; S739-R741 PolarHBondContact OG-N 3.03Å; S739-E742 PolarHBondContact O-N 2.85Å; S739-D748 PolarHBondContact OG-OD1 3.45Å | ||
| 740 | L | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -63.8 | -11.5 | 172.4 | -69.4 | 168.8 | 0 | 0 | 0 | 112.7 | I699 I708 I719 Y735 E742 G743 F744 L747 T749 L751 | I699-L740 HydrophobicContact CD1-CD1 4.15Å; I708-L740 HydrophobicContact CD1-CD1 3.94Å; I708-L740 HydrophobicContact CD1-CD2 4.11Å; I719-L740 HydrophobicContact CD1-CD2 3.39Å; Y735-L740 HydrophobicContact CD1-CD2 3.62Å; Y735-L740 HydrophobicContact CD1-CG 4.34Å; Y735-L740 HydrophobicContact CE1-CD2 4.08Å; Y735-L740 HydrophobicContact CG-CD2 3.89Å; L740-E742 PolarHBondContact O-N 2.91Å; L740-E742 VanDerWaalsContact O-N 3.15Å; L740-G743 PolarHBondContact O-N 3.3Å; L740-F744 PolarHBondContact O-N 3.06Å; L740-L747 CarbonylContact C-O 3.4Å; L740-L747 HydrophobicContact CB-CD2 4.14Å; L740-L747 HydrophobicContact CB-CG 4.12Å; L740-L747 HydrophobicContact CD1-CD2 3.87Å; L740-L747 HydrophobicContact CD1-CG 4.24Å; L740-T749 WeakPolarHBondContact CB-O 3.44Å; L740-T749 HydrophobicContact CD1-CG2 4.33Å; L740-T749 PolarHBondContact N-O 3.48Å; L740-L751 HydrophobicContact CD1-CD2 4.03Å |
| 741 | R | 87.5 | Confident | 88.6 | Confident | 142 Ų | 142 | 56.6 Ų | 56.6 | 54% | 0.536 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -56.8 | -26.6 | 174.4 | -173.9 | 171.4 | 174.2 | -176.2 | -2.6 | 113.5 | S739 G743 F744 L747 D748 | S739-R741 PolarHBondContact O-N 3.01Å; S739-R741 VanDerWaalsContact O-N 3.11Å; S739-R741 VanDerWaalsContact OG-CB 3.3Å; S739-R741 WeakPolarHBondContact OG-CB 3.29Å; S739-R741 PolarHBondContact OG-N 3.03Å; R741-G743 PolarHBondContact O-N 2.79Å; R741-F744 WeakPolarHBondContact CA-O 3.49Å; R741-L747 PolarHBondContact N-O 3.22Å; R741-L747 VanDerWaalsContact N-O 3.09Å; R741-D748 HydrophobicContact CB-CB 4.31Å; R741-D748 VanDerWaalsContact CD-CG 3.5Å; R741-D748 VanDerWaalsContact CD-OD2 3.25Å; R741-D748 WeakPolarHBondContact CD-OD2 3.22Å; R741-D748 IonicContact CZ-OD2 3.81Å; R741-D748 IonicContact NE-OD2 3.95Å; R741-D748 IonicContact NH1-OD2 2.9Å; R741-D748 PolarHBondContact NH1-OD2 3.22Å |
| 742 | E | 77.8 | Confident | 88.4 | Confident | 96 Ų | 96 | 61 Ų | 61 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -59.7 | -31 | 175.1 | -68.4 | -176.3 | 176.1 | 0 | 0 | 112.8 | Y734 S739 L740 | Y734-E742 PolarHBondContact OH-OE2 3.43Å; S739-E742 PolarHBondContact O-N 2.85Å; L740-E742 PolarHBondContact O-N 2.91Å; L740-E742 VanDerWaalsContact O-N 3.15Å |
| 743 | G | 76.1 | Confident | 88.4 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 33% | 0.33 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -26 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L740 R741 | L740-G743 PolarHBondContact O-N 3.3Å; R741-G743 PolarHBondContact O-N 2.79Å |
| 744 | F | 86.2 | Confident | 88.5 | Confident | 70 Ų | 70 | 58 Ų | 58 | 31% | 0.307 | 29% | 0.289 | S | S | . | . | trans | -137.6 | 92.2 | -171.6 | -56.8 | -81.4 | 0 | 0 | 0 | 110.2 | I708 I719 L740 R741 S746 L747 | I708-F744 HydrophobicContact CB-CE2 4.5Å; I708-F744 HydrophobicContact CB-CZ 4.44Å; I708-F744 HydrophobicContact CD1-CD2 4.27Å; I708-F744 HydrophobicContact CD1-CE2 4.14Å; I708-F744 HydrophobicContact CG1-CD2 4.4Å; I708-F744 HydrophobicContact CG1-CE2 4.03Å; I708-F744 HydrophobicContact CG1-CZ 4.19Å; I708-F744 HydrophobicContact CG2-CE2 3.64Å; I708-F744 HydrophobicContact CG2-CZ 3.55Å; I719-F744 HydrophobicContact CB-CE2 4.24Å; I719-F744 HydrophobicContact CD1-CE2 4.17Å; I719-F744 HydrophobicContact CG1-CE2 4.31Å; L740-F744 PolarHBondContact O-N 3.06Å; R741-F744 WeakPolarHBondContact CA-O 3.49Å; F744-S746 PolarHBondContact O-N 2.91Å; F744-L747 HydrophobicContact CB-CB 3.91Å; F744-L747 HydrophobicContact CB-CD2 4.49Å; F744-L747 PolarHBondContact O-N 2.76Å | ||
| 745 | K | 79.8 | Confident | 88.4 | Confident | 193 Ų | 193 | 57.5 Ų | 57.5 | 84% | 0.839 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -26.4 | -170.4 | -67.5 | -177.4 | 179.7 | 179.1 | 0 | 115.8 | ||
| 746 | S | 81.7 | Confident | 88.2 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 75% | 0.748 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 3.8 | -179.2 | 63 | 0 | 0 | 0 | 0 | 114.7 | Y701 F744 | Y701-S746 WeakPolarHBondContact CE1-O 3.23Å; F744-S746 PolarHBondContact O-N 2.91Å |
| 747 | L | 88.2 | Confident | 87.8 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | trans | -120.5 | 73 | -177.1 | -174.4 | 60.6 | 0 | 0 | 0 | 109.4 | I699 Y701 K706 I708 L740 R741 F744 T749 | I699-L747 HydrophobicContact CG2-CD2 4.37Å; Y701-L747 HydrophobicContact CD1-CD1 3.48Å; Y701-L747 VanDerWaalsContact CD1-CD1 3.48Å; Y701-L747 HydrophobicContact CD2-CD1 4.04Å; Y701-L747 HydrophobicContact CE1-CD1 4.09Å; Y701-L747 HydrophobicContact CG-CD1 3.43Å; Y701-L747 VanDerWaalsContact CG-CD1 3.43Å; K706-L747 HydrophobicContact CB-CD1 4.46Å; K706-L747 HydrophobicContact CB-CD2 4.45Å; K706-L747 HydrophobicContact CG-CD1 4.15Å; I708-L747 HydrophobicContact CD1-CD2 3.73Å; I708-L747 HydrophobicContact CG1-CD2 4.39Å; L740-L747 CarbonylContact C-O 3.4Å; L740-L747 HydrophobicContact CB-CD2 4.14Å; L740-L747 HydrophobicContact CB-CG 4.12Å; L740-L747 HydrophobicContact CD1-CD2 3.87Å; L740-L747 HydrophobicContact CD1-CG 4.24Å; R741-L747 PolarHBondContact N-O 3.22Å; R741-L747 VanDerWaalsContact N-O 3.09Å; F744-L747 HydrophobicContact CB-CB 3.91Å; F744-L747 HydrophobicContact CB-CD2 4.49Å; F744-L747 PolarHBondContact O-N 2.76Å; L747-T749 HydrophobicContact CD1-CG2 3.82Å; L747-T749 HydrophobicContact CG-CG2 4.14Å; L747-T749 PolarHBondContact O-N 3.2Å; L747-T749 VanDerWaalsContact O-N 3.15Å | ||
| 748 | D | 91.1 | Very high | 86.9 | Confident | 75 Ų | 75 | 59.3 Ų | 59.3 | 40% | 0.401 | 30% | 0.3 | S | S | . | . | trans | -86.8 | 79.7 | 179.5 | -155.8 | -3.8 | 0 | 0 | 0 | 110.3 | Y701 S739 R741 | Y701-D748 WeakPolarHBondContact CE2-O 3.26Å; Y701-D748 PolarHBondContact OH-N 3Å; S739-D748 PolarHBondContact OG-OD1 3.45Å; R741-D748 HydrophobicContact CB-CB 4.31Å; R741-D748 VanDerWaalsContact CD-CG 3.5Å; R741-D748 VanDerWaalsContact CD-OD2 3.25Å; R741-D748 WeakPolarHBondContact CD-OD2 3.22Å; R741-D748 IonicContact CZ-OD2 3.81Å; R741-D748 IonicContact NE-OD2 3.95Å; R741-D748 IonicContact NH1-OD2 2.9Å; R741-D748 PolarHBondContact NH1-OD2 3.22Å | ||
| 749 | T | 92.4 | Very high | 85.4 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 9% | 0.092 | 31% | 0.307 | C | S | . | . | trans | -156.9 | 166.7 | 176.6 | -168.5 | 0 | 0 | 0 | 0 | 111.3 | S681 I699 Y701 L740 L747 | S681-T749 PolarHBondContact OG-OG1 2.9Å; I699-T749 HydrophobicContact CD1-CG2 3.75Å; Y701-T749 HydrophobicContact CD2-CG2 3.67Å; Y701-T749 HydrophobicContact CE2-CG2 4.17Å; Y701-T749 HydrophobicContact CG-CG2 4.32Å; L740-T749 WeakPolarHBondContact CB-O 3.44Å; L740-T749 HydrophobicContact CD1-CG2 4.33Å; L740-T749 PolarHBondContact N-O 3.48Å; L747-T749 HydrophobicContact CD1-CG2 3.82Å; L747-T749 HydrophobicContact CG-CG2 4.14Å; L747-T749 PolarHBondContact O-N 3.2Å; L747-T749 VanDerWaalsContact O-N 3.15Å | ||
| 750 | T | 93.6 | Very high | 83.8 | Confident | 35 Ų | 35 | 65.4 Ų | 65.4 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | trans | -114 | 166.5 | 174.6 | 62.8 | 0 | 0 | 0 | 0 | 111.3 | Y735 K736 Q752 | Y735-T750 WeakPolarHBondContact O-CB 3.48Å; K736-T750 WeakPolarHBondContact O-CB 3.45Å; T750-Q752 VanDerWaalsContact C-N 3.28Å; T750-Q752 PolarHBondContact O-N 3.41Å | ||
| 751 | L | 94.7 | Very high | 82 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | trans | -77.8 | 74.4 | 176.1 | -58.7 | -174.7 | 0 | 0 | 0 | 110.5 | Y683 I697 I699 I732 Y735 K736 L740 | Y683-L751 HydrophobicContact CD1-CB 3.69Å; Y683-L751 HydrophobicContact CD1-CD2 4.34Å; Y683-L751 HydrophobicContact CD2-CB 4.08Å; Y683-L751 HydrophobicContact CD2-CD1 4.13Å; Y683-L751 HydrophobicContact CD2-CD2 3.97Å; Y683-L751 HydrophobicContact CD2-CG 4.28Å; Y683-L751 HydrophobicContact CE1-CB 3.57Å; Y683-L751 WeakPolarHBondContact CE1-O 3.47Å; Y683-L751 HydrophobicContact CE2-CB 3.96Å; Y683-L751 HydrophobicContact CE2-CD1 4.02Å; Y683-L751 HydrophobicContact CE2-CG 4.42Å; Y683-L751 HydrophobicContact CG-CB 3.95Å; Y683-L751 HydrophobicContact CG-CD2 3.83Å; Y683-L751 HydrophobicContact CG-CG 4.35Å; I697-L751 HydrophobicContact CD1-CD1 4.24Å; I697-L751 HydrophobicContact CG2-CD2 3.94Å; I699-L751 HydrophobicContact CD1-CD2 3.81Å; I732-L751 HydrophobicContact CD1-CD1 3.56Å; I732-L751 HydrophobicContact CG2-CD1 4.19Å; Y735-L751 PolarHBondContact O-N 3.37Å; K736-L751 HydrophobicContact CG-CB 4.34Å; K736-L751 WeakPolarHBondContact CG-O 3.43Å; L740-L751 HydrophobicContact CD1-CD2 4.03Å | ||
| 752 | Q | 88.7 | Confident | 80.4 | Confident | 92 Ų | 92 | 60.9 Ų | 60.9 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | trans | -84.6 | -43.3 | -163.7 | -162.1 | 173.3 | 6.7 | 0 | 0 | 114.1 | S681 T750 | S681-Q752 PolarHBondContact O-N 2.92Å; T750-Q752 VanDerWaalsContact C-N 3.28Å; T750-Q752 PolarHBondContact O-N 3.41Å | ||
| 753 | F | 92.8 | Very high | 79.3 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 1% | 0.013 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 114.8 | -174.8 | -50.7 | -72.6 | 0 | 0 | 0 | 111.3 | V679 S681 T682 Y683 A762 F766 | V679-F753 HydrophobicContact CG2-CD2 3.84Å; V679-F753 HydrophobicContact CG2-CE2 4.12Å; V679-F753 HydrophobicContact CG2-CG 4.46Å; S681-F753 PolarHBondContact O-N 2.91Å; S681-F753 VanDerWaalsContact O-N 3.16Å; T682-F753 CarbonylContact C-O 3.53Å; T682-F753 VanDerWaalsContact CA-O 3.24Å; T682-F753 WeakPolarHBondContact CA-O 3.44Å; T682-F753 HydrophobicContact CG2-CB 4.4Å; T682-F753 WeakPolarHBondContact CG2-O 3.36Å; Y683-F753 WeakPolarHBondContact CD1-O 3.05Å; Y683-F753 PolarHBondContact N-O 3.26Å; F753-A762 HydrophobicContact CD1-CB 3.86Å; F753-A762 HydrophobicContact CE1-CB 4.27Å; F753-A762 HydrophobicContact CG-CB 4.3Å; F753-F766 HydrophobicContact CE2-CD2 4.04Å; F753-F766 AromaticContact CE2-CE2 3.84Å; F753-F766 HydrophobicContact CE2-CE2 3.84Å; F753-F766 AromaticContact CZ-CD2 3.71Å; F753-F766 HydrophobicContact CZ-CD2 3.71Å; F753-F766 AromaticContact CZ-CE2 3.9Å; F753-F766 HydrophobicContact CZ-CE2 3.9Å |
| 754 | P | 92.3 | Very high | 78.1 | Confident | 18 Ų | 18 | 64 Ų | 64 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 137.3 | 169.1 | -22.1 | 34.5 | 0 | 0 | 0 | 111.4 | L660 W661 Y683 R756 E757 | L660-P754 HydrophobicContact CB-CB 3.81Å; L660-P754 HydrophobicContact CB-CG 4.48Å; W661-P754 HydrophobicContact CB-CB 3.98Å; Y683-P754 HydrophobicContact CE1-CG 4.32Å; P754-R756 VanDerWaalsContact C-N 3.28Å; P754-R756 PolarHBondContact O-N 2.97Å; P754-E757 WeakPolarHBondContact CD-OE2 3.44Å; P754-E757 VanDerWaalsContact O-CB 3.26Å; P754-E757 WeakPolarHBondContact O-CB 3.36Å; P754-E757 PolarHBondContact O-N 3.35Å |
| 755 | Y | 90.6 | Very high | 76.5 | Confident | 25 Ų | 25 | 67.7 Ų | 67.7 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -25 | -173.3 | 89.1 | -74.4 | 0 | 0 | 0 | 115.5 | L660 A663 R678 Y683 L684 E757 | L660-Y755 WeakPolarHBondContact O-CD1 3.39Å; A663-Y755 WeakPolarHBondContact CA-OH 3.42Å; A663-Y755 HydrophobicContact CB-CE1 3.76Å; A663-Y755 WeakPolarHBondContact CB-OH 3.4Å; R678-Y755 PolarHBondContact NH1-O 3.47Å; R678-Y755 PolarHBondContact NH2-O 3.21Å; Y683-Y755 PolarHBondContact O-N 3Å; L684-Y755 HydrophobicContact CB-CD1 3.45Å; L684-Y755 VanDerWaalsContact CB-CD1 3.45Å; L684-Y755 HydrophobicContact CB-CE1 4Å; L684-Y755 HydrophobicContact CB-CG 3.85Å; L684-Y755 HydrophobicContact CD2-CD1 4.39Å; L684-Y755 HydrophobicContact CD2-CD2 4.25Å; L684-Y755 HydrophobicContact CD2-CG 4.12Å; Y755-E757 VanDerWaalsContact C-N 3.31Å |
| 756 | R | 87.8 | Confident | 74.9 | Confident | 118 Ų | 118 | 64 Ų | 64 | 45% | 0.445 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 0.5 | 173.6 | -59.6 | -179.9 | 179.2 | 175.9 | -2.7 | 113.6 | S657 L660 F662 P754 | S657-R756 PolarHBondContact O-NH1 2.88Å; L660-R756 HydrophobicContact CB-CB 4.3Å; L660-R756 HydrophobicContact CD2-CB 4.15Å; L660-R756 VanDerWaalsContact O-CB 3.26Å; L660-R756 WeakPolarHBondContact O-CB 3.4Å; L660-R756 WeakPolarHBondContact O-CG 3.37Å; L660-R756 PolarHBondContact O-N 2.83Å; F662-R756 PolarHBondContact O-NH2 3.26Å; F662-R756 VanDerWaalsContact O-NH2 3.13Å; P754-R756 VanDerWaalsContact C-N 3.28Å; P754-R756 PolarHBondContact O-N 2.97Å |
| 757 | E | 82.4 | Confident | 73 | Confident | 28 Ų | 28 | 64.9 Ų | 64.9 | 13% | 0.131 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -72.6 | 130.9 | 172.7 | -161.2 | 172.6 | -154.8 | 0 | 0 | 109 | P754 Y755 E759 A761 R765 | P754-E757 WeakPolarHBondContact CD-OE2 3.44Å; P754-E757 VanDerWaalsContact O-CB 3.26Å; P754-E757 WeakPolarHBondContact O-CB 3.36Å; P754-E757 PolarHBondContact O-N 3.35Å; Y755-E757 VanDerWaalsContact C-N 3.31Å; E757-E759 PolarHBondContact O-N 3.4Å; E757-A761 HydrophobicContact CG-CB 4.46Å; E757-R765 IonicContact OE1-CZ 2.75Å; E757-R765 IonicContact OE1-NH1 3.39Å; E757-R765 PolarHBondContact OE1-NH1 2.84Å; E757-R765 IonicContact OE1-NH2 2.67Å; E757-R765 PolarHBondContact OE1-NH2 3.01Å; E757-R765 IonicContact OE2-NH1 2.76Å; E757-R765 PolarHBondContact OE2-NH1 2.75Å |
| 758 | P | 68.8 | Low | 70.7 | Confident | 88 Ų | 88 | 75.5 Ų | 75.5 | 57% | 0.571 | 36% | 0.364 | S | S | * | . | trans | -62.5 | 135.4 | -177.8 | 20 | -29.5 | 0 | 0 | 0 | 111.7 | N760 A761 A762 | P758-N760 PolarHBondContact O-N 3.36Å; P758-N760 VanDerWaalsContact O-N 3.13Å; P758-A761 HydrophobicContact CG-CB 4.28Å; P758-A761 WeakPolarHBondContact O-CB 3.33Å; P758-A761 PolarHBondContact O-N 3.02Å; P758-A762 PolarHBondContact O-N 3.07Å | ||
| 759 | E | 58.9 | Low | 68.2 | Low | 104 Ų | 104 | 77 Ų | 77 | 49% | 0.486 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -54.9 | -36 | -172.1 | -95.4 | 174.9 | 178.4 | 0 | 0 | 113.7 | R678 E757 A761 A762 V763 | R678-E759 WeakPolarHBondContact CD-OE1 3.45Å; R678-E759 IonicContact NE-OE1 3.98Å; R678-E759 IonicContact NH1-OE1 3.32Å; E757-E759 PolarHBondContact O-N 3.4Å; E759-A761 VanDerWaalsContact C-N 3.29Å; E759-A761 PolarHBondContact O-N 3.4Å; E759-A762 PolarHBondContact O-N 3.29Å; E759-V763 WeakPolarHBondContact O-CB 3.31Å; E759-V763 VanDerWaalsContact O-CG2 3.29Å; E759-V763 WeakPolarHBondContact O-CG2 3.42Å; E759-V763 PolarHBondContact O-N 3.32Å |
| 760 | N | 56.8 | Low | 65.2 | Low | 124 Ų | 124 | 79.8 Ų | 79.8 | 66% | 0.663 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60 | -37.9 | 176.3 | -67.5 | -21.3 | 0 | 0 | 0 | 111.9 | P758 H764 | P758-N760 PolarHBondContact O-N 3.36Å; P758-N760 VanDerWaalsContact O-N 3.13Å; N760-H764 VanDerWaalsContact O-CB 3.23Å; N760-H764 WeakPolarHBondContact O-CB 3.4Å; N760-H764 PolarHBondContact O-CD2 3.25Å; N760-H764 PolarHBondContact O-N 2.96Å |
| 761 | A | 54.5 | Low | 62.1 | Low | 39 Ų | 39 | 83.3 Ų | 83.3 | 32% | 0.322 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -73.2 | -34.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | E757 P758 E759 R765 | E757-A761 HydrophobicContact CG-CB 4.46Å; P758-A761 HydrophobicContact CG-CB 4.28Å; P758-A761 WeakPolarHBondContact O-CB 3.33Å; P758-A761 PolarHBondContact O-N 3.02Å; E759-A761 VanDerWaalsContact C-N 3.29Å; E759-A761 PolarHBondContact O-N 3.4Å; A761-R765 PolarHBondContact O-N 3.42Å |
| 762 | A | 53.3 | Low | 59 | Low | 8 Ų | 8 | 90 Ų | 90 | 7% | 0.066 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -71.8 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F753 P758 E759 R765 F766 | F753-A762 HydrophobicContact CD1-CB 3.86Å; F753-A762 HydrophobicContact CE1-CB 4.27Å; F753-A762 HydrophobicContact CG-CB 4.3Å; P758-A762 PolarHBondContact O-N 3.07Å; E759-A762 PolarHBondContact O-N 3.29Å; A762-R765 PolarHBondContact O-N 2.86Å; A762-F766 PolarHBondContact O-N 3.33Å |
| 763 | V | 54.7 | Low | 56 | Low | 65 Ų | 65 | 91.5 Ų | 91.5 | 39% | 0.394 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71 | -37.7 | 177.2 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | E759 R765 F766 N767 | E759-V763 WeakPolarHBondContact O-CB 3.31Å; E759-V763 VanDerWaalsContact O-CG2 3.29Å; E759-V763 WeakPolarHBondContact O-CG2 3.42Å; E759-V763 PolarHBondContact O-N 3.32Å; V763-R765 VanDerWaalsContact C-N 3.32Å; V763-R765 PolarHBondContact O-N 2.88Å; V763-F766 PolarHBondContact O-N 3.25Å; V763-N767 PolarHBondContact O-N 3.42Å; V763-N767 VanDerWaalsContact O-N 3.15Å |
| 764 | H | 51.4 | Low | 53.9 | Low | 128 Ų | 128 | 96.4 Ų | 96.4 | 59% | 0.593 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.6 | -25.4 | 175.4 | -76.9 | -52.5 | 0 | 0 | 0 | 114 | N760 | N760-H764 VanDerWaalsContact O-CB 3.23Å; N760-H764 WeakPolarHBondContact O-CB 3.4Å; N760-H764 PolarHBondContact O-CD2 3.25Å; N760-H764 PolarHBondContact O-N 2.96Å |
| 765 | R | 51.6 | Low | 50.7 | Low | 148 Ų | 148 | 102.7 Ų | 102.7 | 56% | 0.558 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -74.5 | -35.8 | 170.1 | -83.8 | -169.6 | -165.2 | 127.8 | 10.5 | 112.4 | E757 A761 A762 V763 N767 R768 | E757-R765 IonicContact OE1-CZ 2.75Å; E757-R765 IonicContact OE1-NH1 3.39Å; E757-R765 PolarHBondContact OE1-NH1 2.84Å; E757-R765 IonicContact OE1-NH2 2.67Å; E757-R765 PolarHBondContact OE1-NH2 3.01Å; E757-R765 IonicContact OE2-NH1 2.76Å; E757-R765 PolarHBondContact OE2-NH1 2.75Å; A761-R765 PolarHBondContact O-N 3.42Å; A762-R765 PolarHBondContact O-N 2.86Å; V763-R765 VanDerWaalsContact C-N 3.32Å; V763-R765 PolarHBondContact O-N 2.88Å; R765-N767 VanDerWaalsContact C-N 3.3Å; R765-N767 PolarHBondContact O-N 3.38Å; R765-R768 PolarHBondContact O-N 3.32Å |
| 766 | F | 46.5 | Very low | 47.7 | Very low | 115 Ų | 115 | 108.9 Ų | 108.9 | 50% | 0.504 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.1 | -34.2 | 175.8 | -122.6 | -85.9 | 0 | 0 | 0 | 112.2 | F753 A762 V763 | F753-F766 HydrophobicContact CE2-CD2 4.04Å; F753-F766 AromaticContact CE2-CE2 3.84Å; F753-F766 HydrophobicContact CE2-CE2 3.84Å; F753-F766 AromaticContact CZ-CD2 3.71Å; F753-F766 HydrophobicContact CZ-CD2 3.71Å; F753-F766 AromaticContact CZ-CE2 3.9Å; F753-F766 HydrophobicContact CZ-CE2 3.9Å; A762-F766 PolarHBondContact O-N 3.33Å; V763-F766 PolarHBondContact O-N 3.25Å |
| 767 | N | 42.1 | Very low | 44.7 | Very low | 125 Ų | 125 | 109.5 Ų | 109.5 | 67% | 0.668 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 2.9 | 179.7 | -78.7 | -9.6 | 0 | 0 | 0 | 115.1 | V763 R765 | V763-N767 PolarHBondContact O-N 3.42Å; V763-N767 VanDerWaalsContact O-N 3.15Å; R765-N767 VanDerWaalsContact C-N 3.3Å; R765-N767 PolarHBondContact O-N 3.38Å |
| 768 | R | 39.3 | Very low | 41.9 | Very low | 232 Ų | 232 | 111.5 Ų | 111.5 | 88% | 0.875 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 1.2 | 178.9 | -98.8 | -174.4 | 174.6 | -173.4 | 0.4 | 114.9 | R765 | R765-R768 PolarHBondContact O-N 3.32Š|
| 769 | S | 38.3 | Very low | 39.8 | Very low | 106 Ų | 106 | 115.1 Ų | 115.1 | 74% | 0.741 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -122.8 | 81.1 | 174.5 | 45.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 770 | G | 30.2 | Very low | 38.1 | Very low | 74 Ų | 74 | 114.8 Ų | 114.8 | 76% | 0.763 | 66% | 0.659 | S | S | * | * | trans | 158.6 | 103.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 771 | S | 29.3 | Very low | 37 | Very low | 108 Ų | 108 | 116.5 Ų | 116.5 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | trans | -78.7 | 156.3 | -179.6 | 48.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 772 | N | 28 | Very low | 35.5 | Very low | 142 Ų | 142 | 121.5 Ų | 121.5 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | trans | 97.6 | 89.6 | 151.5 | -68.6 | -1.6 | 0 | 0 | 0 | 121 | ||||
| 773 | T | 26 | Very low | 34.5 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | 22.2 | 162.4 | 121.5 | 54.5 | 0 | 0 | 0 | 0 | 122 | |||||
| 774 | P | 49.3 | Very low | 33.3 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | cis | -138.2 | 178.3 | -43.1 | 37.3 | -18.5 | 0 | 0 | 0 | 112.4 | ||||
| 775 | L | 25.8 | Very low | 32 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | 160.1 | 123.3 | 129.6 | -82.5 | 165.9 | 0 | 0 | 0 | 113.6 | |||||
| 776 | L | 27.1 | Very low | 30.6 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | 25.8 | 144.2 | 140.1 | -73.2 | 161.2 | 0 | 0 | 0 | 123.4 | ||||
| 777 | C | 24.3 | Very low | 29.5 | Very low | 130 Ų | 130 | 130 Ų | 130 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | 96 | 130.1 | 137.9 | -109.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 778 | G | 24.1 | Very low | 28.5 | Very low | 71 Ų | 71 | 128.4 Ų | 128.4 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | 116.5 | 98.9 | 124.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 779 | L | 25.6 | Very low | 27.6 | Very low | 164 Ų | 164 | 127 Ų | 127 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -1.6 | 134 | 142.4 | -72.4 | 152.3 | 0 | 0 | 0 | 120.5 | ||||
| 780 | S | 23 | Very low | 26.9 | Very low | 96 Ų | 96 | 128.5 Ų | 128.5 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | 64.9 | 129.5 | 126.9 | -63.9 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 781 | L | 33.6 | Very low | 26.6 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | 49.7 | 109.7 | 136.2 | -77.9 | 153.2 | 0 | 0 | 0 | 119.6 | ||||
| 782 | V | 22.9 | Very low | 26.6 | Very low | 144 Ų | 144 | 131 Ų | 131 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | -162 | 125.5 | 127.1 | -138 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 783 | T | 30.7 | Very low | 26.5 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -99.9 | 145.2 | 145.4 | 35 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 784 | P | 31.3 | Very low | 26.4 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | -160.3 | 167.2 | 80.9 | 39.6 | -17.6 | 0 | 0 | 0 | 119.5 | |||||
| 785 | A | 22.9 | Very low | 25.2 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | 74.2 | 125 | 138.6 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 786 | G | 23.1 | Very low | 25.2 | Very low | 73 Ų | 73 | 126.5 Ų | 126.5 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | 168.9 | 83.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 787 | Y | 22.8 | Very low | 25.1 | Very low | 225 Ų | 225 | 128.2 Ų | 128.2 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -7.8 | 149.4 | 157.3 | -63.5 | -86.8 | 0 | 0 | 0 | 118.8 | ||||
| 788 | S | 22 | Very low | 25 | Very low | 91 Ų | 91 | 132 Ų | 132 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | cis | -174.4 | 145.7 | 4.7 | -89.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 789 | F | 20.6 | Very low | 25.1 | Very low | 201 Ų | 201 | 133.6 Ų | 133.6 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | 159.2 | 111.9 | 132.2 | -108.2 | -94.6 | 0 | 0 | 0 | 110.4 | ||||
| 790 | V | 23.5 | Very low | 25.2 | Very low | 139 Ų | 139 | 132 Ų | 132 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | trans | -140.5 | 125.8 | 166.5 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 791 | P | 23.7 | Very low | 25.4 | Very low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | trans | -105.5 | 164.1 | 150.4 | 30.1 | -16.5 | 0 | 0 | 0 | 111.6 | ||||
| 792 | P | 29.1 | Very low | 25.5 | Very low | 124 Ų | 124 | 132 Ų | 132 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | trans | -100.7 | 176.2 | -146.6 | 38.3 | -33.9 | 0 | 0 | 0 | 114.6 | ||||
| 793 | S | 24.8 | Very low | 26.4 | Very low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | 105.1 | 106.5 | 158.3 | -165.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 794 | S | 25.4 | Very low | 27.3 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | 153 | 85.8 | 113.6 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 795 | A | 23.8 | Very low | 29.2 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 79% | 0.793 | 74% | 0.743 | S | S | * | * | trans | -114.9 | 128 | 160 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 796 | P | 25.1 | Very low | 31.9 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | trans | -77.9 | 140.3 | 179.4 | 31.4 | -31.9 | 0 | 0 | 0 | 111.2 | W798 | P796-W798 PolarHBondContact O-N 3.02Š| ||
| 797 | F | 25.1 | Very low | 34.7 | Very low | 190 Ų | 190 | 125.1 Ų | 125.1 | 83% | 0.833 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -60.9 | 14.5 | -171.3 | -174.5 | -107.1 | 0 | 0 | 0 | 117.2 | ||
| 798 | W | 22.7 | Very low | 37.6 | Very low | 209 Ų | 209 | 117.7 Ų | 117.7 | 79% | 0.792 | 68% | 0.677 | S | S | * | * | trans | -91 | 0.9 | -166.1 | -64.6 | 111.8 | 0 | 0 | 0 | 116.6 | P796 | P796-W798 PolarHBondContact O-N 3.02Š| ||
| 799 | S | 25.9 | Very low | 40.6 | Very low | 105 Ų | 105 | 113.4 Ų | 113.4 | 73% | 0.734 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 13.3 | -170.1 | 50.2 | 0 | 0 | 0 | 0 | 116.5 | ||
| 800 | V | 27.4 | Very low | 43.7 | Very low | 132 Ų | 132 | 107.1 Ų | 107.1 | 80% | 0.8 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -3.3 | -179.6 | -170.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 801 | L | 28.1 | Very low | 46.2 | Very low | 137 Ų | 137 | 100.5 Ų | 100.5 | 72% | 0.717 | 58% | 0.582 | S | S | * | * | trans | -125.2 | 35.1 | -174.2 | -70 | 168.9 | 0 | 0 | 0 | 114.7 | ||||
| 802 | T | 34.3 | Very low | 48.2 | Very low | 117 Ų | 117 | 100.5 Ų | 100.5 | 72% | 0.718 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 117.4 | 165.4 | 46.5 | 0 | 0 | 0 | 0 | 109.2 | K804 | T802-K804 PolarHBondContact O-N 2.88Š|
| 803 | P | 42.4 | Very low | 49.8 | Very low | 62 Ų | 62 | 100.1 Ų | 100.1 | 40% | 0.403 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -56 | 134.1 | 173.6 | -19.4 | 29.6 | 0 | 0 | 0 | 109.2 | V805 Y834 | P803-V805 PolarHBondContact O-N 3.16Å; P803-Y834 HydrophobicContact CB-CD1 3.8Å; P803-Y834 HydrophobicContact CB-CD2 4.4Å; P803-Y834 HydrophobicContact CB-CE1 4.29Å; P803-Y834 HydrophobicContact CB-CG 3.87Å; P803-Y834 HydrophobicContact CG-CD2 4.44Å; P803-Y834 HydrophobicContact CG-CG 4.4Å; P803-Y834 WeakPolarHBondContact O-CE1 3.44Å |
| 804 | K | 48.9 | Very low | 51.5 | Low | 182 Ų | 182 | 96.6 Ų | 96.6 | 79% | 0.791 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 122.1 | 177.7 | -169.6 | 177 | 179.5 | -177.4 | 0 | 108.7 | T802 I806 | T802-K804 PolarHBondContact O-N 2.88Å; K804-I806 PolarHBondContact O-N 3.42Å |
| 805 | V | 72.3 | Confident | 53.2 | Low | 67 Ų | 67 | 91.8 Ų | 91.8 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 118.1 | 172 | -178.8 | 0 | 0 | 0 | 0 | 107.6 | P803 G807 K832 I833 Y834 | P803-V805 PolarHBondContact O-N 3.16Å; V805-G807 VanDerWaalsContact CG1-O 3.3Å; V805-G807 WeakPolarHBondContact CG1-O 3.33Å; V805-K832 HydrophobicContact CG1-CB 4.14Å; V805-K832 HydrophobicContact CG2-CB 4.3Å; V805-K832 HydrophobicContact CG2-CD 4.29Å; V805-I833 CarbonylContact C-O 3.59Å; V805-I833 WeakPolarHBondContact CA-O 3.2Å; V805-Y834 HydrophobicContact CB-CE1 4.44Å; V805-Y834 HydrophobicContact CG2-CD1 4.1Å; V805-Y834 HydrophobicContact CG2-CE1 3.51Å |
| 806 | I | 79.3 | Confident | 54.9 | Low | 89 Ų | 89 | 88.8 Ų | 88.8 | 46% | 0.456 | 46% | 0.461 | S | S | . | . | trans | -97.3 | -6.5 | -178.7 | 61.7 | 169.8 | 0 | 0 | 0 | 113 | K804 I833 Y834 K836 | K804-I806 PolarHBondContact O-N 3.42Å; I806-I833 HydrophobicContact CD1-CG2 4.02Å; I806-I833 HydrophobicContact CG1-CB 4.25Å; I806-I833 HydrophobicContact CG1-CG2 3.82Å; I806-I833 WeakPolarHBondContact CG1-O 3.09Å; I806-I833 PolarHBondContact N-O 2.97Å; I806-Y834 WeakPolarHBondContact CD1-O 3.4Å; I806-K836 HydrophobicContact CD1-CB 4.41Å; I806-K836 HydrophobicContact CD1-CD 4.41Å; I806-K836 HydrophobicContact CD1-CG 3.87Å | ||
| 807 | G | 81.8 | Confident | 56.4 | Low | 19 Ų | 19 | 84.9 Ų | 84.9 | 20% | 0.196 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.7 | 177.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V805 I833 | V805-G807 VanDerWaalsContact CG1-O 3.3Å; V805-G807 WeakPolarHBondContact CG1-O 3.33Å; G807-I833 PolarHBondContact O-N 2.89Å |
| 808 | V | 83.6 | Confident | 57.5 | Low | 70 Ų | 70 | 79.3 Ų | 79.3 | 42% | 0.424 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.4 | 175.4 | -179.3 | 0 | 0 | 0 | 0 | 109 | V830 V831 G862 | V808-V830 HydrophobicContact CG1-CG1 3.3Å; V808-V831 WeakPolarHBondContact CA-O 3.36Å; V808-G862 PolarHBondContact O-N 2.9Å |
| 809 | A | 84.5 | Confident | 58.7 | Low | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 156.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V831 I833 W843 V859 E860 E861 | A809-V831 PolarHBondContact N-O 3.45Å; A809-V831 PolarHBondContact O-N 2.9Å; A809-I833 HydrophobicContact CB-CD1 3.82Å; A809-I833 HydrophobicContact CB-CG1 4.39Å; A809-W843 HydrophobicContact CB-CZ3 4.27Å; A809-V859 HydrophobicContact CB-CB 3.71Å; A809-V859 HydrophobicContact CB-CG2 3.62Å; A809-E860 CarbonylContact C-O 3.52Å; A809-E860 WeakPolarHBondContact CA-O 3.46Å; A809-E860 WeakPolarHBondContact CB-O 3.23Å; A809-E861 HydrophobicContact CB-CG 4.18Å |
| 810 | I | 85.2 | Confident | 59.6 | Low | 69 Ų | 69 | 68.1 Ų | 68.1 | 35% | 0.354 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 125.5 | 177.2 | -59.8 | 175.3 | 0 | 0 | 0 | 108 | R812 D829 V859 E860 | I810-R812 PolarHBondContact O-N 3.26Å; I810-D829 CarbonylContact C-O 3.57Å; I810-D829 WeakPolarHBondContact CA-O 3.49Å; I810-V859 CarbonylContact O-C 3.52Å; I810-V859 WeakPolarHBondContact O-CA 3.45Å; I810-E860 PolarHBondContact N-O 3.24Å; I810-E860 PolarHBondContact O-N 3.09Å |
| 811 | A | 76.4 | Confident | 60.7 | Low | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 123.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L825 Q826 G828 D829 Y858 V859 | A811-L825 HydrophobicContact CB-CB 4.04Å; A811-L825 HydrophobicContact CB-CD1 4.26Å; A811-Q826 WeakPolarHBondContact CB-O 3.32Å; A811-G828 PolarHBondContact O-N 3.14Å; A811-D829 HydrophobicContact CB-CB 4Å; A811-D829 PolarHBondContact N-O 3.11Å; A811-Y858 CarbonylContact C-O 3.55Å; A811-Y858 VanDerWaalsContact CA-O 3.24Å; A811-Y858 WeakPolarHBondContact CA-O 3.41Å; A811-V859 HydrophobicContact CB-CG1 4.31Å |
| 812 | R | 66.9 | Low | 62.7 | Low | 109 Ų | 109 | 58 Ų | 58 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -92.7 | -19.6 | 175 | -67.4 | -56.2 | -160.7 | -167.3 | 0.3 | 112.9 | I810 E827 Y858 E860 | I810-R812 PolarHBondContact O-N 3.26Å; R812-E827 WeakPolarHBondContact O-CG 3.41Å; R812-Y858 PolarHBondContact N-O 2.86Å; R812-E860 HydrophobicContact CG-CB 3.76Å; R812-E860 IonicContact CZ-OE2 2.77Å; R812-E860 IonicContact NE-OE2 3.69Å; R812-E860 PolarHBondContact NE-OE2 3.31Å; R812-E860 IonicContact NH2-OE1 3.15Å; R812-E860 PolarHBondContact NH2-OE1 2.7Å; R812-E860 IonicContact NH2-OE2 3.66Å; R812-E860 PolarHBondContact NH2-OE2 3.18Å |
| 813 | Y | 61.8 | Low | 64.6 | Low | 115 Ų | 115 | 52.6 Ų | 52.6 | 45% | 0.451 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -142.3 | 147.7 | -177 | -55.4 | -69.4 | 0 | 0 | 0 | 109.4 | Y858 | Y813-Y858 VanDerWaalsContact CB-CD1 3.48Å; Y813-Y858 PolarHBondContact N-O 3.22Å |
| 814 | D | 60.3 | Low | 66.1 | Low | 39 Ų | 39 | 51.7 Ų | 51.7 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | trans | -65.8 | 137.2 | 171.2 | -61.9 | -17.5 | 0 | 0 | 0 | 110 | E558 R562 L825 Q826 E827 Y858 | E558-D814 HydrophobicContact CB-CB 4.14Å; E558-D814 HydrophobicContact CG-CB 4.42Å; R562-D814 IonicContact CZ-OD2 2.73Å; R562-D814 IonicContact NH2-OD1 3.8Å; R562-D814 IonicContact NH2-OD2 3.79Å; R562-D814 PolarHBondContact NH2-OD2 3.34Å; D814-L825 CarbonylContact C-O 3.55Å; D814-L825 WeakPolarHBondContact CA-O 3.43Å; D814-Q826 WeakPolarHBondContact OD1-CA 3.24Å; D814-E827 PolarHBondContact OD1-N 3.35Å; D814-Y858 WeakPolarHBondContact O-CD1 3.47Å; D814-Y858 WeakPolarHBondContact O-CE1 3.48Å | ||
| 815 | F | 62.3 | Low | 67.5 | Low | 15 Ų | 15 | 43.2 Ų | 43.2 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -132.7 | 126.4 | 173.6 | 172.3 | -107.4 | 0 | 0 | 0 | 109.3 | E822 L823 S824 L825 W842 F854 P855 Y858 | F815-E822 HydrophobicContact CE1-CB 4.14Å; F815-E822 HydrophobicContact CZ-CB 4.3Å; F815-E822 HydrophobicContact CZ-CG 4.39Å; F815-E822 WeakPolarHBondContact CZ-OE2 3.37Å; F815-L823 WeakPolarHBondContact CD1-O 3.19Å; F815-L823 WeakPolarHBondContact CE1-O 3.48Å; F815-S824 CarbonylContact O-C 3.44Å; F815-S824 WeakPolarHBondContact O-CA 3.36Å; F815-S824 WeakPolarHBondContact O-CB 3.4Å; F815-L825 HydrophobicContact CB-CB 4.12Å; F815-L825 HydrophobicContact CB-CG 4.39Å; F815-L825 PolarHBondContact N-O 3.4Å; F815-L825 PolarHBondContact O-N 3.45Å; F815-W842 HydrophobicContact CE1-CH2 4.29Å; F815-W842 HydrophobicContact CE1-CZ3 4.03Å; F815-W842 AromaticContact CE2-CH2 3.91Å; F815-W842 HydrophobicContact CE2-CH2 3.91Å; F815-W842 HydrophobicContact CE2-CZ3 4.41Å; F815-W842 AromaticContact CZ-CH2 3.43Å; F815-W842 HydrophobicContact CZ-CH2 3.43Å; F815-W842 VanDerWaalsContact CZ-CH2 3.43Å; F815-W842 AromaticContact CZ-CZ3 3.61Å; F815-W842 HydrophobicContact CZ-CZ3 3.61Å; F815-F854 HydrophobicContact CD1-CB 4.18Å; F815-F854 HydrophobicContact CE1-CB 4.4Å; F815-P855 HydrophobicContact CD2-CG 3.79Å; F815-P855 HydrophobicContact CE2-CG 3.73Å; F815-P855 HydrophobicContact CG-CG 4.27Å; F815-P855 HydrophobicContact CZ-CG 4.16Å; F815-Y858 HydrophobicContact CB-CD1 3.61Å; F815-Y858 HydrophobicContact CB-CE1 4.05Å; F815-Y858 HydrophobicContact CB-CG 4.1Å; F815-Y858 HydrophobicContact CD2-CE1 4.41Å; F815-Y858 HydrophobicContact CG-CD1 4.47Å |
| 816 | S | 58.2 | Low | 67.5 | Low | 33 Ų | 33 | 46.4 Ų | 46.4 | 23% | 0.231 | 23% | 0.233 | C | C | . | . | trans | -101.7 | 120.1 | 176.3 | -72.1 | 0 | 0 | 0 | 0 | 111.3 | R818 | S816-R818 PolarHBondContact O-N 3.15Š| ||
| 817 | S | 56.6 | Low | 67.3 | Low | 23 Ų | 23 | 48 Ų | 48 | 16% | 0.161 | 24% | 0.238 | C | C | . | . | trans | -61.8 | 128.8 | 176.7 | 62.4 | 0 | 0 | 0 | 0 | 111.1 | E822 S824 | S817-E822 WeakPolarHBondContact CB-O 3.5Å; S817-S824 WeakPolarHBondContact CB-OG 3.28Å; S817-S824 PolarHBondContact N-OG 2.88Å; S817-S824 PolarHBondContact OG-OG 3.05Å | ||
| 818 | R | 49.8 | Very low | 66.9 | Low | 72 Ų | 72 | 49.4 Ų | 49.4 | 27% | 0.272 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -94 | -23.9 | -178.3 | -63 | 178.7 | 174.1 | -157.5 | -10.3 | 112.8 | E374 S816 E822 | E374-R818 IonicContact OE2-CZ 3.55Å; E374-R818 IonicContact OE2-NH1 2.75Å; E374-R818 PolarHBondContact OE2-NH1 3.21Å; S816-R818 PolarHBondContact O-N 3.15Å; R818-E822 WeakPolarHBondContact CB-OE2 3.47Å; R818-E822 PolarHBondContact N-OE2 3.16Å |
| 819 | D | 46.8 | Very low | 66.9 | Low | 30 Ų | 30 | 47.4 Ų | 47.4 | 16% | 0.16 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -128.9 | -177.4 | 171.7 | 74.2 | 25.1 | 0 | 0 | 0 | 111.5 | M503 R821 E822 | M503-D819 VanDerWaalsContact CE-C 3.44Å; D819-R821 VanDerWaalsContact C-N 3.31Å; D819-R821 WeakPolarHBondContact OD1-CA 3.15Å; D819-R821 VanDerWaalsContact OD1-CB 3.31Å; D819-R821 WeakPolarHBondContact OD1-CB 3.34Å; D819-R821 PolarHBondContact OD1-N 2.86Å; D819-R821 IonicContact OD1-NE 2.73Å; D819-R821 IonicContact OD2-CZ 2.74Å; D819-R821 IonicContact OD2-NE 3.47Å; D819-R821 PolarHBondContact OD2-NE 2.84Å; D819-R821 VanDerWaalsContact OD2-NE 3.16Å; D819-R821 IonicContact OD2-NH2 3.47Å; D819-R821 PolarHBondContact OD2-NH2 2.8Å; D819-E822 PolarHBondContact OD1-N 3Å |
| 820 | T | 44.9 | Very low | 67.1 | Low | 50 Ų | 50 | 51.8 Ų | 51.8 | 31% | 0.307 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -76.7 | -15.3 | -179.3 | 42.3 | 0 | 0 | 0 | 0 | 114.3 | M503 | M503-T820 HydrophobicContact CE-CG2 4.21Å; M503-T820 HydrophobicContact SD-CG2 3.6Å |
| 821 | R | 51.3 | Low | 67.3 | Low | 46 Ų | 46 | 48.5 Ų | 48.5 | 17% | 0.174 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -86.5 | -26.2 | -179.3 | -63 | 172.9 | -64.8 | -171.5 | -1.7 | 111.2 | D156 D819 G852 W853 | D156-R821 WeakPolarHBondContact OD2-CG 3.36Å; D819-R821 VanDerWaalsContact C-N 3.31Å; D819-R821 WeakPolarHBondContact OD1-CA 3.15Å; D819-R821 VanDerWaalsContact OD1-CB 3.31Å; D819-R821 WeakPolarHBondContact OD1-CB 3.34Å; D819-R821 PolarHBondContact OD1-N 2.86Å; D819-R821 IonicContact OD1-NE 2.73Å; D819-R821 IonicContact OD2-CZ 2.74Å; D819-R821 IonicContact OD2-NE 3.47Å; D819-R821 PolarHBondContact OD2-NE 2.84Å; D819-R821 VanDerWaalsContact OD2-NE 3.16Å; D819-R821 IonicContact OD2-NH2 3.47Å; D819-R821 PolarHBondContact OD2-NH2 2.8Å; R821-G852 CarbonylContact O-C 3.56Å; R821-G852 WeakPolarHBondContact O-CA 3.4Å; R821-W853 PolarHBondContact O-N 2.9Å |
| 822 | E | 69.9 | Low | 67.8 | Low | 11 Ų | 11 | 53 Ų | 53 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -77.5 | 140.5 | 177.1 | -67.3 | 178.9 | -178.9 | 0 | 0 | 112.1 | F815 S817 R818 D819 W842 W853 | F815-E822 HydrophobicContact CE1-CB 4.14Å; F815-E822 HydrophobicContact CZ-CB 4.3Å; F815-E822 HydrophobicContact CZ-CG 4.39Å; F815-E822 WeakPolarHBondContact CZ-OE2 3.37Å; S817-E822 WeakPolarHBondContact CB-O 3.5Å; R818-E822 WeakPolarHBondContact CB-OE2 3.47Å; R818-E822 PolarHBondContact N-OE2 3.16Å; D819-E822 PolarHBondContact OD1-N 3Å; E822-W842 HydrophobicContact CB-CZ3 4.49Å; E822-W842 HydrophobicContact CG-CH2 4.02Å; E822-W842 HydrophobicContact CG-CZ3 3.73Å; E822-W842 WeakPolarHBondContact OE1-CH2 3.31Å; E822-W853 CarbonylContact C-O 3.57Å; E822-W853 WeakPolarHBondContact CA-O 3.2Å |
| 823 | L | 74.2 | Confident | 68.7 | Low | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | trans | -97.7 | 115.6 | 174.9 | 179.2 | 63.3 | 0 | 0 | 0 | 109 | F815 L825 V831 G845 V847 R850 G852 W853 F854 | F815-L823 WeakPolarHBondContact CD1-O 3.19Å; F815-L823 WeakPolarHBondContact CE1-O 3.48Å; L823-L825 HydrophobicContact CD2-CD2 4.04Å; L823-L825 HydrophobicContact CG-CD2 4.12Å; L823-V831 HydrophobicContact CD2-CG1 4.34Å; L823-G845 WeakPolarHBondContact CD2-O 3.5Å; L823-V847 HydrophobicContact CD1-CB 4.45Å; L823-V847 HydrophobicContact CD2-CB 4.16Å; L823-V847 HydrophobicContact CD2-CG2 3.99Å; L823-R850 HydrophobicContact CD1-CB 3.99Å; L823-R850 HydrophobicContact CD1-CG 3.98Å; L823-R850 VanDerWaalsContact CD1-O 3.28Å; L823-R850 WeakPolarHBondContact CD1-O 3.44Å; L823-G852 VanDerWaalsContact CB-C 3.48Å; L823-W853 PolarHBondContact N-O 3.02Å; L823-F854 HydrophobicContact CB-CB 4.47Å; L823-F854 HydrophobicContact CB-CD1 4.34Å; L823-F854 HydrophobicContact CD2-CD1 3.95Å; L823-F854 HydrophobicContact CD2-CE1 4.43Å | ||
| 824 | S | 73.4 | Confident | 69.4 | Low | 42 Ų | 42 | 43.4 Ų | 43.4 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | trans | -65.2 | 138 | 170.4 | -63.6 | 0 | 0 | 0 | 0 | 110.3 | F815 S817 | F815-S824 CarbonylContact O-C 3.44Å; F815-S824 WeakPolarHBondContact O-CA 3.36Å; F815-S824 WeakPolarHBondContact O-CB 3.4Å; S817-S824 WeakPolarHBondContact CB-OG 3.28Å; S817-S824 PolarHBondContact N-OG 2.88Å; S817-S824 PolarHBondContact OG-OG 3.05Å | ||
| 825 | L | 77.4 | Confident | 70.1 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -119.5 | 145.6 | 175.6 | -55.9 | 178.9 | 0 | 0 | 0 | 109.8 | A811 D814 F815 L823 V831 V847 F854 V859 | A811-L825 HydrophobicContact CB-CB 4.04Å; A811-L825 HydrophobicContact CB-CD1 4.26Å; D814-L825 CarbonylContact C-O 3.55Å; D814-L825 WeakPolarHBondContact CA-O 3.43Å; F815-L825 HydrophobicContact CB-CB 4.12Å; F815-L825 HydrophobicContact CB-CG 4.39Å; F815-L825 PolarHBondContact N-O 3.4Å; F815-L825 PolarHBondContact O-N 3.45Å; L823-L825 HydrophobicContact CD2-CD2 4.04Å; L823-L825 HydrophobicContact CG-CD2 4.12Å; L825-V831 HydrophobicContact CD2-CG1 4.49Å; L825-V831 HydrophobicContact CD2-CG2 3.68Å; L825-V847 HydrophobicContact CD2-CG2 3.82Å; L825-F854 HydrophobicContact CD1-CB 3.64Å; L825-F854 HydrophobicContact CD1-CD2 3.58Å; L825-F854 HydrophobicContact CD1-CE2 4.44Å; L825-F854 HydrophobicContact CD1-CG 3.69Å; L825-F854 HydrophobicContact CD2-CB 4.3Å; L825-F854 HydrophobicContact CD2-CD1 4.43Å; L825-F854 HydrophobicContact CD2-CG 4.2Å; L825-F854 HydrophobicContact CG-CB 3.91Å; L825-F854 HydrophobicContact CG-CG 4.2Å; L825-V859 HydrophobicContact CD1-CG1 3.53Å |
| 826 | Q | 72.1 | Confident | 70.6 | Confident | 135 Ų | 135 | 46.7 Ų | 46.7 | 63% | 0.631 | 25% | 0.248 | S | C | * | . | trans | -110.4 | 143.2 | 163.9 | -63.7 | -174.9 | -0.5 | 0 | 0 | 109.2 | A811 D814 G828 D829 | A811-Q826 WeakPolarHBondContact CB-O 3.32Å; D814-Q826 WeakPolarHBondContact OD1-CA 3.24Å; Q826-G828 PolarHBondContact O-N 3.04Å; Q826-D829 PolarHBondContact N-OD2 3.35Å; Q826-D829 WeakPolarHBondContact O-CB 3.31Å; Q826-D829 VanDerWaalsContact O-CG 3.3Å; Q826-D829 PolarHBondContact O-N 2.94Å | ||
| 827 | E | 75.2 | Confident | 70.4 | Confident | 122 Ų | 122 | 50 Ų | 50 | 57% | 0.57 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 123 | 173.7 | -178 | 179.3 | 167.5 | 0 | 0 | 110.3 | R812 D814 | R812-E827 WeakPolarHBondContact O-CG 3.41Å; D814-E827 PolarHBondContact OD1-N 3.35Å |
| 828 | G | 74 | Confident | 70 | Confident | 48 Ų | 48 | 49.6 Ų | 49.6 | 50% | 0.495 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98 | -9.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A811 Q826 V830 | A811-G828 PolarHBondContact O-N 3.14Å; Q826-G828 PolarHBondContact O-N 3.04Å; G828-V830 PolarHBondContact O-N 3.49Å |
| 829 | D | 84.8 | Confident | 69.5 | Low | 29 Ų | 29 | 49.8 Ų | 49.8 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | trans | -61.9 | 134.4 | 177.7 | -81.1 | -19.2 | 0 | 0 | 0 | 111.7 | I810 A811 Q826 V847 | I810-D829 CarbonylContact C-O 3.57Å; I810-D829 WeakPolarHBondContact CA-O 3.49Å; A811-D829 HydrophobicContact CB-CB 4Å; A811-D829 PolarHBondContact N-O 3.11Å; Q826-D829 PolarHBondContact N-OD2 3.35Å; Q826-D829 WeakPolarHBondContact O-CB 3.31Å; Q826-D829 VanDerWaalsContact O-CG 3.3Å; Q826-D829 PolarHBondContact O-N 2.94Å; D829-V847 HydrophobicContact CB-CG1 4.02Å; D829-V847 HydrophobicContact CB-CG2 4.21Å | ||
| 830 | V | 87.9 | Confident | 69.5 | Low | 92 Ų | 92 | 53.1 Ų | 53.1 | 56% | 0.558 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 110.1 | 173.1 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | V808 G828 | V808-V830 HydrophobicContact CG1-CG1 3.3Å; G828-V830 PolarHBondContact O-N 3.49Å |
| 831 | V | 88.9 | Confident | 70 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.5 | -176.2 | -165.1 | 0 | 0 | 0 | 0 | 109.9 | V808 A809 L823 L825 I833 V847 F854 V859 | V808-V831 WeakPolarHBondContact CA-O 3.36Å; A809-V831 PolarHBondContact N-O 3.45Å; A809-V831 PolarHBondContact O-N 2.9Å; L823-V831 HydrophobicContact CD2-CG1 4.34Å; L825-V831 HydrophobicContact CD2-CG1 4.49Å; L825-V831 HydrophobicContact CD2-CG2 3.68Å; V831-I833 PolarHBondContact O-N 2.89Å; V831-V847 HydrophobicContact CB-CG2 3.95Å; V831-V847 HydrophobicContact CG1-CG2 3.9Å; V831-V847 HydrophobicContact CG2-CG2 3.59Å; V831-F854 HydrophobicContact CB-CE1 4.48Å; V831-F854 HydrophobicContact CB-CZ 4.21Å; V831-F854 HydrophobicContact CG1-CD1 4.05Å; V831-F854 HydrophobicContact CG1-CE1 3.27Å; V831-F854 HydrophobicContact CG1-CE2 4.26Å; V831-F854 HydrophobicContact CG1-CZ 3.38Å; V831-V859 HydrophobicContact CG2-CG1 3.95Å |
| 832 | K | 86.4 | Confident | 71.1 | Confident | 94 Ų | 94 | 51.4 Ų | 51.4 | 41% | 0.409 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 117.8 | 168.9 | -66.2 | 176.8 | -174.5 | 168.6 | 0 | 108.5 | V805 G845 E846 | V805-K832 HydrophobicContact CG1-CB 4.14Å; V805-K832 HydrophobicContact CG2-CB 4.3Å; V805-K832 HydrophobicContact CG2-CD 4.29Å; K832-G845 CarbonylContact O-C 3.58Å; K832-G845 WeakPolarHBondContact O-CA 3.41Å; K832-E846 HydrophobicContact CB-CB 4.36Å; K832-E846 PolarHBondContact N-O 3.47Å; K832-E846 PolarHBondContact O-N 2.85Å |
| 833 | I | 85.5 | Confident | 71.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.2 | -178.5 | -55.6 | 173.4 | 0 | 0 | 0 | 108.9 | V805 I806 G807 A809 V831 K836 W843 E861 | V805-I833 CarbonylContact C-O 3.59Å; V805-I833 WeakPolarHBondContact CA-O 3.2Å; I806-I833 HydrophobicContact CD1-CG2 4.02Å; I806-I833 HydrophobicContact CG1-CB 4.25Å; I806-I833 HydrophobicContact CG1-CG2 3.82Å; I806-I833 WeakPolarHBondContact CG1-O 3.09Å; I806-I833 PolarHBondContact N-O 2.97Å; G807-I833 PolarHBondContact O-N 2.89Å; A809-I833 HydrophobicContact CB-CD1 3.82Å; A809-I833 HydrophobicContact CB-CG1 4.39Å; V831-I833 PolarHBondContact O-N 2.89Å; I833-K836 HydrophobicContact CG2-CG 3.83Å; I833-W843 HydrophobicContact CD1-CE3 3.57Å; I833-W843 HydrophobicContact CD1-CZ3 3.62Å; I833-W843 HydrophobicContact CG1-CE3 4.25Å; I833-E861 HydrophobicContact CD1-CG 4.25Å |
| 834 | Y | 77.6 | Confident | 71.6 | Confident | 23 Ų | 23 | 56.3 Ų | 56.3 | 9% | 0.09 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -41.5 | 174.2 | -67 | -42.1 | 0 | 0 | 0 | 112.4 | P803 V805 I806 R844 E846 V851 | P803-Y834 HydrophobicContact CB-CD1 3.8Å; P803-Y834 HydrophobicContact CB-CD2 4.4Å; P803-Y834 HydrophobicContact CB-CE1 4.29Å; P803-Y834 HydrophobicContact CB-CG 3.87Å; P803-Y834 HydrophobicContact CG-CD2 4.44Å; P803-Y834 HydrophobicContact CG-CG 4.4Å; P803-Y834 WeakPolarHBondContact O-CE1 3.44Å; V805-Y834 HydrophobicContact CB-CE1 4.44Å; V805-Y834 HydrophobicContact CG2-CD1 4.1Å; V805-Y834 HydrophobicContact CG2-CE1 3.51Å; I806-Y834 WeakPolarHBondContact CD1-O 3.4Å; Y834-R844 PolarHBondContact N-O 2.74Å; Y834-E846 HydrophobicContact CE2-CB 3.65Å; Y834-E846 PolarHBondContact OH-OE2 3.39Å; Y834-V851 HydrophobicContact CD2-CG1 3.96Å; Y834-V851 HydrophobicContact CE2-CG1 4.06Å; Y834-V851 HydrophobicContact CE2-CG2 3.97Å |
| 835 | T | 73.9 | Confident | 71.9 | Confident | 45 Ų | 45 | 54.3 Ų | 54.3 | 28% | 0.276 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 141.4 | 176.6 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | W843 R844 W853 | T835-W843 WeakPolarHBondContact O-CA 3.5Å; T835-R844 PolarHBondContact N-O 2.78Å; T835-R844 PolarHBondContact O-N 3.19Å; T835-R844 WeakPolarHBondContact OG1-CB 3.38Å; T835-W853 WeakPolarHBondContact OG1-CH2 3.5Å |
| 836 | K | 74.2 | Confident | 72.1 | Confident | 79 Ų | 79 | 56 Ų | 56 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 8.7 | 173.3 | -65.9 | -178.8 | -173.1 | -176.4 | 0 | 112.3 | I806 I833 G838 W843 E861 | I806-K836 HydrophobicContact CD1-CB 4.41Å; I806-K836 HydrophobicContact CD1-CD 4.41Å; I806-K836 HydrophobicContact CD1-CG 3.87Å; I833-K836 HydrophobicContact CG2-CG 3.83Å; K836-G838 PolarHBondContact O-N 2.81Å; K836-W843 HydrophobicContact CD-CZ2 4.43Å; K836-W843 HydrophobicContact CG-CD2 4.2Å; K836-W843 HydrophobicContact CG-CG 4.29Å; K836-E861 WeakPolarHBondContact CE-OE1 3.36Å; K836-E861 IonicContact NZ-OE1 2.65Å; K836-E861 PolarHBondContact NZ-OE1 3.09Å; K836-E861 IonicContact NZ-OE2 3.38Å; K836-E861 PolarHBondContact NZ-OE2 3.41Å |
| 837 | S | 54.2 | Low | 72.7 | Confident | 101 Ų | 101 | 50 Ų | 50 | 71% | 0.706 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 3.8 | -167.3 | -41 | 0 | 0 | 0 | 0 | 115 | A839 | S837-A839 PolarHBondContact O-N 2.81Å |
| 838 | G | 47.8 | Very low | 72.5 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 17% | 0.165 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 123 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K836 N840 G841 W842 | K836-G838 PolarHBondContact O-N 2.81Å; G838-N840 PolarHBondContact O-N 2.92Å; G838-G841 PolarHBondContact O-N 3.24Å; G838-W842 VanDerWaalsContact CA-O 3.29Å; G838-W842 WeakPolarHBondContact CA-O 3.41Å; G838-W842 PolarHBondContact N-O 3.36Å |
| 839 | A | 38.2 | Very low | 71.6 | Confident | 75 Ų | 75 | 52 Ų | 52 | 62% | 0.62 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 135.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | S837 | S837-A839 PolarHBondContact O-N 2.81Š|
| 840 | N | 46.8 | Very low | 70.4 | Confident | 101 Ų | 101 | 56.4 Ų | 56.4 | 54% | 0.54 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 27.2 | 175.9 | -45.7 | -34.5 | 0 | 0 | 0 | 116.8 | G838 | G838-N840 PolarHBondContact O-N 2.92Š|
| 841 | G | 56.8 | Low | 69.6 | Low | 27 Ų | 27 | 54.6 Ų | 54.6 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 32.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G838 S856 | G838-G841 PolarHBondContact O-N 3.24Å; G841-S856 WeakPolarHBondContact O-CB 3.39Å; G841-S856 PolarHBondContact O-N 2.87Å; G841-S856 PolarHBondContact O-OG 2.8Å |
| 842 | W | 72.8 | Confident | 68.5 | Low | 33 Ų | 33 | 54.8 Ų | 54.8 | 13% | 0.125 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 137.4 | 170.7 | -74.4 | 74.3 | 0 | 0 | 0 | 110.4 | F815 E822 G838 W853 F854 P855 | F815-W842 HydrophobicContact CE1-CH2 4.29Å; F815-W842 HydrophobicContact CE1-CZ3 4.03Å; F815-W842 AromaticContact CE2-CH2 3.91Å; F815-W842 HydrophobicContact CE2-CH2 3.91Å; F815-W842 HydrophobicContact CE2-CZ3 4.41Å; F815-W842 AromaticContact CZ-CH2 3.43Å; F815-W842 HydrophobicContact CZ-CH2 3.43Å; F815-W842 VanDerWaalsContact CZ-CH2 3.43Å; F815-W842 AromaticContact CZ-CZ3 3.61Å; F815-W842 HydrophobicContact CZ-CZ3 3.61Å; E822-W842 HydrophobicContact CB-CZ3 4.49Å; E822-W842 HydrophobicContact CG-CH2 4.02Å; E822-W842 HydrophobicContact CG-CZ3 3.73Å; E822-W842 WeakPolarHBondContact OE1-CH2 3.31Å; G838-W842 VanDerWaalsContact CA-O 3.29Å; G838-W842 WeakPolarHBondContact CA-O 3.41Å; G838-W842 PolarHBondContact N-O 3.36Å; W842-W853 HydrophobicContact CB-CE3 4.2Å; W842-W853 HydrophobicContact CE3-CB 3.95Å; W842-W853 HydrophobicContact CZ3-CB 4.45Å; W842-F854 WeakPolarHBondContact CA-O 3.45Å; W842-P855 HydrophobicContact CD2-CB 4.38Å; W842-P855 HydrophobicContact CD2-CG 4.4Å; W842-P855 HydrophobicContact CE3-CG 4.29Å; W842-P855 HydrophobicContact CH2-CG 3.9Å; W842-P855 HydrophobicContact CZ2-CG 3.95Å; W842-P855 HydrophobicContact CZ3-CG 4.04Å |
| 843 | W | 79.3 | Confident | 67.9 | Low | 37 Ų | 37 | 51.8 Ų | 51.8 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 147.3 | 176.9 | -66 | -10.6 | 0 | 0 | 0 | 110 | A809 I833 T835 K836 W853 F854 S856 V859 E861 | A809-W843 HydrophobicContact CB-CZ3 4.27Å; I833-W843 HydrophobicContact CD1-CE3 3.57Å; I833-W843 HydrophobicContact CD1-CZ3 3.62Å; I833-W843 HydrophobicContact CG1-CE3 4.25Å; T835-W843 WeakPolarHBondContact O-CA 3.5Å; K836-W843 HydrophobicContact CD-CZ2 4.43Å; K836-W843 HydrophobicContact CG-CD2 4.2Å; K836-W843 HydrophobicContact CG-CG 4.29Å; W843-W853 CarbonylContact O-C 3.59Å; W843-W853 WeakPolarHBondContact O-CA 3.42Å; W843-F854 HydrophobicContact CB-CE1 4.2Å; W843-F854 HydrophobicContact CB-CE2 3.88Å; W843-F854 HydrophobicContact CB-CZ 3.69Å; W843-F854 HydrophobicContact CE3-CE2 4.01Å; W843-F854 HydrophobicContact CE3-CZ 4.22Å; W843-F854 PolarHBondContact N-O 3.11Å; W843-F854 WeakPolarHBondContact O-CD1 3.23Å; W843-F854 PolarHBondContact O-N 3.36Å; W843-S856 VanDerWaalsContact CD2-CB 3.41Å; W843-V859 HydrophobicContact CE3-CG2 3.64Å; W843-V859 HydrophobicContact CH2-CG2 4.37Å; W843-V859 HydrophobicContact CZ3-CG2 3.4Å; W843-E861 HydrophobicContact CH2-CG 3.65Å; W843-E861 WeakPolarHBondContact CH2-OE1 3.25Å; W843-E861 WeakPolarHBondContact CZ2-OE1 3.3Å; W843-E861 HydrophobicContact CZ3-CG 3.73Å |
| 844 | R | 76.2 | Confident | 67.1 | Low | 80 Ų | 80 | 51.8 Ų | 51.8 | 30% | 0.302 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 133.3 | 171.5 | -160 | 175.5 | -178.9 | -95.2 | 2.4 | 108.5 | Y834 T835 V851 G852 W853 | Y834-R844 PolarHBondContact N-O 2.74Å; T835-R844 PolarHBondContact N-O 2.78Å; T835-R844 PolarHBondContact O-N 3.19Å; T835-R844 WeakPolarHBondContact OG1-CB 3.38Å; R844-V851 HydrophobicContact CG-CG1 4.41Å; R844-V851 VanDerWaalsContact CZ-CG1 3.45Å; R844-G852 WeakPolarHBondContact CA-O 3.47Å; R844-W853 HydrophobicContact CB-CD2 3.87Å; R844-W853 HydrophobicContact CB-CE3 3.75Å; R844-W853 HydrophobicContact CB-CH2 3.87Å; R844-W853 HydrophobicContact CB-CZ2 3.97Å; R844-W853 HydrophobicContact CB-CZ3 3.75Å; R844-W853 HydrophobicContact CG-CD2 4.12Å; R844-W853 HydrophobicContact CG-CE3 4.5Å; R844-W853 HydrophobicContact CG-CZ2 4.25Å; R844-W853 VanDerWaalsContact N-CE3 3.35Å |
| 845 | G | 79.6 | Confident | 66.7 | Low | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | -170.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L823 K832 V851 G852 | L823-G845 WeakPolarHBondContact CD2-O 3.5Å; K832-G845 CarbonylContact O-C 3.58Å; K832-G845 WeakPolarHBondContact O-CA 3.41Å; G845-V851 WeakPolarHBondContact O-CA 3.38Å; G845-G852 PolarHBondContact N-O 3.34Å; G845-G852 PolarHBondContact O-N 2.82Å |
| 846 | E | 82.6 | Confident | 66.7 | Low | 39 Ų | 39 | 49.6 Ų | 49.6 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 133.7 | -176.5 | -174.2 | -172.6 | 127 | 0 | 0 | 111.3 | K832 Y834 R850 V851 | K832-E846 HydrophobicContact CB-CB 4.36Å; K832-E846 PolarHBondContact N-O 3.47Å; K832-E846 PolarHBondContact O-N 2.85Å; Y834-E846 HydrophobicContact CE2-CB 3.65Å; Y834-E846 PolarHBondContact OH-OE2 3.39Å; E846-R850 VanDerWaalsContact CA-O 3.28Å; E846-R850 WeakPolarHBondContact CA-O 3.31Å; E846-V851 HydrophobicContact CB-CG2 4.16Å; E846-V851 HydrophobicContact CG-CG2 4.05Å |
| 847 | V | 83.1 | Confident | 66.2 | Low | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 132 | 168 | 172.7 | 0 | 0 | 0 | 0 | 107.6 | L823 L825 D829 V831 G849 R850 | L823-V847 HydrophobicContact CD1-CB 4.45Å; L823-V847 HydrophobicContact CD2-CB 4.16Å; L823-V847 HydrophobicContact CD2-CG2 3.99Å; L825-V847 HydrophobicContact CD2-CG2 3.82Å; D829-V847 HydrophobicContact CB-CG1 4.02Å; D829-V847 HydrophobicContact CB-CG2 4.21Å; V831-V847 HydrophobicContact CB-CG2 3.95Å; V831-V847 HydrophobicContact CG1-CG2 3.9Å; V831-V847 HydrophobicContact CG2-CG2 3.59Å; V847-G849 PolarHBondContact O-N 3.21Å; V847-G849 VanDerWaalsContact O-N 3.12Å; V847-R850 PolarHBondContact N-O 3.32Å; V847-R850 VanDerWaalsContact N-O 3.09Å; V847-R850 PolarHBondContact O-N 3.11Å |
| 848 | N | 72.4 | Confident | 66.8 | Low | 153 Ų | 153 | 43 Ų | 43 | 82% | 0.818 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 36.1 | 175.6 | -62.5 | -39.4 | 0 | 0 | 0 | 114.5 | R850 | N848-R850 PolarHBondContact O-N 3.39Š|
| 849 | G | 55.5 | Low | 68.1 | Low | 61 Ų | 61 | 42.9 Ų | 42.9 | 63% | 0.629 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 5.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | V847 | V847-G849 PolarHBondContact O-N 3.21Å; V847-G849 VanDerWaalsContact O-N 3.12Å |
| 850 | R | 58.3 | Low | 70.2 | Confident | 121 Ų | 121 | 43.4 Ų | 43.4 | 46% | 0.457 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 128.3 | 173.1 | -169.6 | 176.3 | -177.2 | -179.9 | -1.5 | 109.5 | L823 E846 V847 N848 | L823-R850 HydrophobicContact CD1-CB 3.99Å; L823-R850 HydrophobicContact CD1-CG 3.98Å; L823-R850 VanDerWaalsContact CD1-O 3.28Å; L823-R850 WeakPolarHBondContact CD1-O 3.44Å; E846-R850 VanDerWaalsContact CA-O 3.28Å; E846-R850 WeakPolarHBondContact CA-O 3.31Å; V847-R850 PolarHBondContact N-O 3.32Å; V847-R850 VanDerWaalsContact N-O 3.09Å; V847-R850 PolarHBondContact O-N 3.11Å; N848-R850 PolarHBondContact O-N 3.39Å |
| 851 | V | 71.4 | Confident | 71.7 | Confident | 54 Ų | 54 | 42.2 Ų | 42.2 | 33% | 0.327 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 137.2 | 179 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | Y834 R844 G845 E846 | Y834-V851 HydrophobicContact CD2-CG1 3.96Å; Y834-V851 HydrophobicContact CE2-CG1 4.06Å; Y834-V851 HydrophobicContact CE2-CG2 3.97Å; R844-V851 HydrophobicContact CG-CG1 4.41Å; R844-V851 VanDerWaalsContact CZ-CG1 3.45Å; G845-V851 WeakPolarHBondContact O-CA 3.38Å; E846-V851 HydrophobicContact CB-CG2 4.16Å; E846-V851 HydrophobicContact CG-CG2 4.05Å |
| 852 | G | 66 | Low | 72 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -180 | -177.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R821 L823 R844 G845 | R821-G852 CarbonylContact O-C 3.56Å; R821-G852 WeakPolarHBondContact O-CA 3.4Å; L823-G852 VanDerWaalsContact CB-C 3.48Å; R844-G852 WeakPolarHBondContact CA-O 3.47Å; G845-G852 PolarHBondContact N-O 3.34Å; G845-G852 PolarHBondContact O-N 2.82Å |
| 853 | W | 73.1 | Confident | 70.5 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 133.4 | -178.2 | -67.8 | 101.5 | 0 | 0 | 0 | 111.9 | E158 R821 E822 L823 T835 W842 W843 R844 | E158-W853 WeakPolarHBondContact OE2-CZ2 3.38Å; E158-W853 PolarHBondContact OE2-NE1 3.15Å; R821-W853 PolarHBondContact O-N 2.9Å; E822-W853 CarbonylContact C-O 3.57Å; E822-W853 WeakPolarHBondContact CA-O 3.2Å; L823-W853 PolarHBondContact N-O 3.02Å; T835-W853 WeakPolarHBondContact OG1-CH2 3.5Å; W842-W853 HydrophobicContact CB-CE3 4.2Å; W842-W853 HydrophobicContact CE3-CB 3.95Å; W842-W853 HydrophobicContact CZ3-CB 4.45Å; W843-W853 CarbonylContact O-C 3.59Å; W843-W853 WeakPolarHBondContact O-CA 3.42Å; R844-W853 HydrophobicContact CB-CD2 3.87Å; R844-W853 HydrophobicContact CB-CE3 3.75Å; R844-W853 HydrophobicContact CB-CH2 3.87Å; R844-W853 HydrophobicContact CB-CZ2 3.97Å; R844-W853 HydrophobicContact CB-CZ3 3.75Å; R844-W853 HydrophobicContact CG-CD2 4.12Å; R844-W853 HydrophobicContact CG-CE3 4.5Å; R844-W853 HydrophobicContact CG-CZ2 4.25Å; R844-W853 VanDerWaalsContact N-CE3 3.35Å |
| 854 | F | 70.1 | Confident | 68.3 | Low | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.2 | 174.3 | 60 | -87.2 | 0 | 0 | 0 | 109.5 | F815 L823 L825 V831 W842 W843 S856 V859 | F815-F854 HydrophobicContact CD1-CB 4.18Å; F815-F854 HydrophobicContact CE1-CB 4.4Å; L823-F854 HydrophobicContact CB-CB 4.47Å; L823-F854 HydrophobicContact CB-CD1 4.34Å; L823-F854 HydrophobicContact CD2-CD1 3.95Å; L823-F854 HydrophobicContact CD2-CE1 4.43Å; L825-F854 HydrophobicContact CD1-CB 3.64Å; L825-F854 HydrophobicContact CD1-CD2 3.58Å; L825-F854 HydrophobicContact CD1-CE2 4.44Å; L825-F854 HydrophobicContact CD1-CG 3.69Å; L825-F854 HydrophobicContact CD2-CB 4.3Å; L825-F854 HydrophobicContact CD2-CD1 4.43Å; L825-F854 HydrophobicContact CD2-CG 4.2Å; L825-F854 HydrophobicContact CG-CB 3.91Å; L825-F854 HydrophobicContact CG-CG 4.2Å; V831-F854 HydrophobicContact CB-CE1 4.48Å; V831-F854 HydrophobicContact CB-CZ 4.21Å; V831-F854 HydrophobicContact CG1-CD1 4.05Å; V831-F854 HydrophobicContact CG1-CE1 3.27Å; V831-F854 HydrophobicContact CG1-CE2 4.26Å; V831-F854 HydrophobicContact CG1-CZ 3.38Å; W842-F854 WeakPolarHBondContact CA-O 3.45Å; W843-F854 HydrophobicContact CB-CE1 4.2Å; W843-F854 HydrophobicContact CB-CE2 3.88Å; W843-F854 HydrophobicContact CB-CZ 3.69Å; W843-F854 HydrophobicContact CE3-CE2 4.01Å; W843-F854 HydrophobicContact CE3-CZ 4.22Å; W843-F854 PolarHBondContact N-O 3.11Å; W843-F854 WeakPolarHBondContact O-CD1 3.23Å; W843-F854 PolarHBondContact O-N 3.36Å; F854-S856 PolarHBondContact O-N 3.15Å; F854-V859 HydrophobicContact CD2-CG1 3.71Å; F854-V859 HydrophobicContact CD2-CG2 4.39Å; F854-V859 HydrophobicContact CE2-CB 4.22Å; F854-V859 HydrophobicContact CE2-CG1 3.47Å; F854-V859 VanDerWaalsContact CE2-CG1 3.47Å; F854-V859 HydrophobicContact CE2-CG2 3.63Å; F854-V859 HydrophobicContact CZ-CG1 4.41Å |
| 855 | P | 68.9 | Low | 67.9 | Low | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.013 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 129.5 | 179.3 | -2.8 | 17 | 0 | 0 | 0 | 109.3 | F815 W842 T857 Y858 | F815-P855 HydrophobicContact CD2-CG 3.79Å; F815-P855 HydrophobicContact CE2-CG 3.73Å; F815-P855 HydrophobicContact CG-CG 4.27Å; F815-P855 HydrophobicContact CZ-CG 4.16Å; W842-P855 HydrophobicContact CD2-CB 4.38Å; W842-P855 HydrophobicContact CD2-CG 4.4Å; W842-P855 HydrophobicContact CE3-CG 4.29Å; W842-P855 HydrophobicContact CH2-CG 3.9Å; W842-P855 HydrophobicContact CZ2-CG 3.95Å; W842-P855 HydrophobicContact CZ3-CG 4.04Å; P855-T857 PolarHBondContact O-N 3.12Å; P855-Y858 HydrophobicContact CB-CD2 3.72Å; P855-Y858 HydrophobicContact CB-CE2 4.13Å; P855-Y858 HydrophobicContact CG-CD2 3.68Å; P855-Y858 HydrophobicContact CG-CE2 3.93Å; P855-Y858 HydrophobicContact CG-CG 4.43Å; P855-Y858 WeakPolarHBondContact O-CB 3.49Å; P855-Y858 PolarHBondContact O-N 3.01Å |
| 856 | S | 73.2 | Confident | 67.3 | Low | 19 Ų | 19 | 64.2 Ų | 64.2 | 13% | 0.133 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -59.2 | -22.4 | -178.8 | 66.9 | 0 | 0 | 0 | 0 | 113.3 | G841 W843 F854 Y858 V859 | G841-S856 WeakPolarHBondContact O-CB 3.39Å; G841-S856 PolarHBondContact O-N 2.87Å; G841-S856 PolarHBondContact O-OG 2.8Å; W843-S856 VanDerWaalsContact CD2-CB 3.41Å; F854-S856 PolarHBondContact O-N 3.15Å; S856-Y858 PolarHBondContact O-N 3.19Å; S856-V859 WeakPolarHBondContact O-CG2 3.42Å; S856-V859 PolarHBondContact O-N 2.88Å |
| 857 | T | 63 | Low | 66.5 | Low | 24 Ų | 24 | 65.6 Ų | 65.6 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -70.4 | -16.6 | 177.3 | 74.6 | 0 | 0 | 0 | 0 | 113.3 | K366 Q370 P855 V859 | K366-T857 HydrophobicContact CB-CG2 3.88Å; K366-T857 HydrophobicContact CD-CG2 3.57Å; K366-T857 HydrophobicContact CG-CG2 3.8Å; Q370-T857 PolarHBondContact NE2-OG1 3.42Å; P855-T857 PolarHBondContact O-N 3.12Å; T857-V859 VanDerWaalsContact C-N 3.28Å |
| 858 | Y | 67.6 | Low | 65.5 | Low | 18 Ų | 18 | 69 Ų | 69 | 7% | 0.071 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -88.2 | -2.8 | 179 | -75.9 | -112.2 | 0 | 0 | 0 | 111.8 | R539 A811 R812 Y813 D814 F815 P855 S856 | R539-Y858 VanDerWaalsContact CZ-OH 3.29Å; R539-Y858 PolarHBondContact NH1-OH 3.02Å; R539-Y858 PolarHBondContact NH2-OH 3.37Å; A811-Y858 CarbonylContact C-O 3.55Å; A811-Y858 VanDerWaalsContact CA-O 3.24Å; A811-Y858 WeakPolarHBondContact CA-O 3.41Å; R812-Y858 PolarHBondContact N-O 2.86Å; Y813-Y858 VanDerWaalsContact CB-CD1 3.48Å; Y813-Y858 PolarHBondContact N-O 3.22Å; D814-Y858 WeakPolarHBondContact O-CD1 3.47Å; D814-Y858 WeakPolarHBondContact O-CE1 3.48Å; F815-Y858 HydrophobicContact CB-CD1 3.61Å; F815-Y858 HydrophobicContact CB-CE1 4.05Å; F815-Y858 HydrophobicContact CB-CG 4.1Å; F815-Y858 HydrophobicContact CD2-CE1 4.41Å; F815-Y858 HydrophobicContact CG-CD1 4.47Å; P855-Y858 HydrophobicContact CB-CD2 3.72Å; P855-Y858 HydrophobicContact CB-CE2 4.13Å; P855-Y858 HydrophobicContact CG-CD2 3.68Å; P855-Y858 HydrophobicContact CG-CE2 3.93Å; P855-Y858 HydrophobicContact CG-CG 4.43Å; P855-Y858 WeakPolarHBondContact O-CB 3.49Å; P855-Y858 PolarHBondContact O-N 3.01Å; S856-Y858 PolarHBondContact O-N 3.19Å |
| 859 | V | 76.3 | Confident | 65.1 | Low | 13 Ų | 13 | 63.8 Ų | 63.8 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 155.4 | -179.7 | -52.9 | 0 | 0 | 0 | 0 | 110.7 | A809 I810 A811 L825 V831 W843 F854 S856 T857 | A809-V859 HydrophobicContact CB-CB 3.71Å; A809-V859 HydrophobicContact CB-CG2 3.62Å; I810-V859 CarbonylContact O-C 3.52Å; I810-V859 WeakPolarHBondContact O-CA 3.45Å; A811-V859 HydrophobicContact CB-CG1 4.31Å; L825-V859 HydrophobicContact CD1-CG1 3.53Å; V831-V859 HydrophobicContact CG2-CG1 3.95Å; W843-V859 HydrophobicContact CE3-CG2 3.64Å; W843-V859 HydrophobicContact CH2-CG2 4.37Å; W843-V859 HydrophobicContact CZ3-CG2 3.4Å; F854-V859 HydrophobicContact CD2-CG1 3.71Å; F854-V859 HydrophobicContact CD2-CG2 4.39Å; F854-V859 HydrophobicContact CE2-CB 4.22Å; F854-V859 HydrophobicContact CE2-CG1 3.47Å; F854-V859 VanDerWaalsContact CE2-CG1 3.47Å; F854-V859 HydrophobicContact CE2-CG2 3.63Å; F854-V859 HydrophobicContact CZ-CG1 4.41Å; S856-V859 WeakPolarHBondContact O-CG2 3.42Å; S856-V859 PolarHBondContact O-N 2.88Å; T857-V859 VanDerWaalsContact C-N 3.28Å |
| 860 | E | 80.7 | Confident | 65.7 | Low | 86 Ų | 86 | 63.9 Ų | 63.9 | 40% | 0.402 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124.6 | 169.4 | -170.5 | 172.8 | 152.8 | 0 | 0 | 108.2 | A809 I810 R812 G862 | A809-E860 CarbonylContact C-O 3.52Å; A809-E860 WeakPolarHBondContact CA-O 3.46Å; A809-E860 WeakPolarHBondContact CB-O 3.23Å; I810-E860 PolarHBondContact N-O 3.24Å; I810-E860 PolarHBondContact O-N 3.09Å; R812-E860 HydrophobicContact CG-CB 3.76Å; R812-E860 IonicContact CZ-OE2 2.77Å; R812-E860 IonicContact NE-OE2 3.69Å; R812-E860 PolarHBondContact NE-OE2 3.31Å; R812-E860 IonicContact NH2-OE1 3.15Å; R812-E860 PolarHBondContact NH2-OE1 2.7Å; R812-E860 IonicContact NH2-OE2 3.66Å; R812-E860 PolarHBondContact NH2-OE2 3.18Å; E860-G862 PolarHBondContact O-N 2.66Å |
| 861 | E | 79.8 | Confident | 66.2 | Low | 77 Ų | 77 | 59.9 Ų | 59.9 | 36% | 0.36 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 134.9 | 174.1 | -69.1 | -174.1 | -149.5 | 0 | 0 | 109.6 | A809 I833 K836 W843 | A809-E861 HydrophobicContact CB-CG 4.18Å; I833-E861 HydrophobicContact CD1-CG 4.25Å; K836-E861 WeakPolarHBondContact CE-OE1 3.36Å; K836-E861 IonicContact NZ-OE1 2.65Å; K836-E861 PolarHBondContact NZ-OE1 3.09Å; K836-E861 IonicContact NZ-OE2 3.38Å; K836-E861 PolarHBondContact NZ-OE2 3.41Å; W843-E861 HydrophobicContact CH2-CG 3.65Å; W843-E861 WeakPolarHBondContact CH2-OE1 3.25Å; W843-E861 WeakPolarHBondContact CZ2-OE1 3.3Å; W843-E861 HydrophobicContact CZ3-CG 3.73Å |
| 862 | G | 62.9 | Low | 65.8 | Low | 49 Ų | 49 | 60.3 Ų | 60.3 | 51% | 0.505 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -70 | 130 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | V808 E860 E864 | V808-G862 PolarHBondContact O-N 2.9Å; E860-G862 PolarHBondContact O-N 2.66Å; G862-E864 PolarHBondContact O-N 2.82Å |
| 863 | E | 41.5 | Very low | 65.8 | Low | 190 Ų | 190 | 65.1 Ų | 65.1 | 89% | 0.888 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 129.2 | 165.8 | -68.3 | -179.9 | 171.4 | 0 | 0 | 108.2 | ||
| 864 | E | 32.5 | Very low | 65.1 | Low | 271 Ų | 271 | 68.1 Ų | 68.1 | 100% | 1.266 | 35% | 0.351 | S | S | * | . | trans | -64.8 | 0 | 171.2 | -84.4 | -172.1 | 160.5 | 0 | 0 | 112.3 | G862 | G862-E864 PolarHBondContact O-N 2.82Š|
Retrieved 864 of 864 residues in 621.8 ms
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