| 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 | 33.5 | Very low | 51 | Low | 239 Ų | 239 | 110.6 Ų | 110.6 | 100% | 1.177 | 67% | 0.67 | S | S | * | * | 0 | 115.2 | 0 | -63 | 167.9 | -175.2 | 0 | 0 | 107.7 | A3 | M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 3.45Å | |||
| 2 | A | 38.8 | Very low | 54.6 | Low | 114 Ų | 114 | 107.3 Ų | 107.3 | 94% | 0.942 | 64% | 0.637 | S | S | * | * | trans | -87.9 | 74 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | C4 | A2-C4 PolarHBondContact O-N 3.23Š| ||
| 3 | A | 35.3 | Very low | 57.8 | Low | 90 Ų | 90 | 101.7 Ų | 101.7 | 74% | 0.744 | 60% | 0.6 | S | S | * | * | trans | -73.9 | 121.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | M1 | M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 3.45Å | ||
| 4 | C | 32.4 | Very low | 60.4 | Low | 120 Ų | 120 | 99.6 Ų | 99.6 | 81% | 0.811 | 59% | 0.589 | S | S | * | * | trans | 8.5 | 127.3 | 164.5 | -55.3 | 0 | 0 | 0 | 0 | 118.8 | A2 G6 | A2-C4 PolarHBondContact O-N 3.23Å; C4-G6 PolarHBondContact O-N 3.43Å | ||
| 5 | R | 43.9 | Very low | 62.5 | Low | 248 Ų | 248 | 99.9 Ų | 99.9 | 94% | 0.936 | 58% | 0.575 | S | S | * | * | trans | -65.2 | 76.3 | 160.9 | -72.1 | -175.6 | 177.7 | -117.4 | 3.9 | 110.7 | ||||
| 6 | G | 34.9 | Very low | 64.4 | Low | 55 Ų | 55 | 102.1 Ų | 102.1 | 57% | 0.567 | 58% | 0.579 | S | S | * | * | trans | -70.9 | 130.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | C4 | C4-G6 PolarHBondContact O-N 3.43Š| ||
| 7 | S | 43.9 | Very low | 66.1 | Low | 78 Ų | 78 | 101.7 Ų | 101.7 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | trans | 40.3 | 76.8 | 166 | 51.5 | 0 | 0 | 0 | 0 | 116.9 | S9 K10 | S7-S9 PolarHBondContact O-N 2.93Å; S7-K10 PolarHBondContact O-N 2.95Å | ||
| 8 | S | 54.6 | Low | 67.7 | Low | 95 Ų | 95 | 97.2 Ų | 97.2 | 66% | 0.664 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -11.6 | 164.4 | 179 | 0 | 0 | 0 | 0 | 114.4 | Y12 | S8-Y12 VanDerWaalsContact O-CD2 3.23Å; S8-Y12 WeakPolarHBondContact O-CD2 3.42Å; S8-Y12 WeakPolarHBondContact O-CE2 3.21Å |
| 9 | S | 63.9 | Low | 69 | Low | 80 Ų | 80 | 98.5 Ų | 98.5 | 56% | 0.559 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -16.6 | 175.9 | 49.3 | 0 | 0 | 0 | 0 | 115.1 | S7 W11 Y12 | S7-S9 PolarHBondContact O-N 2.93Å; S9-W11 PolarHBondContact O-N 3.48Å; S9-Y12 PolarHBondContact O-N 3.4Å |
| 10 | K | 86.2 | Confident | 70.2 | Confident | 93 Ų | 93 | 98.2 Ų | 98.2 | 40% | 0.404 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -30.7 | -168.6 | -178.9 | -177.4 | 170 | -167.3 | 0 | 114.7 | S7 | S7-K10 PolarHBondContact O-N 2.95Š|
| 11 | W | 93.5 | Very high | 71.5 | Confident | 5 Ų | 5 | 93.6 Ų | 93.6 | 2% | 0.019 | 52% | 0.519 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 13.8 | -176 | -58.5 | 103 | 0 | 0 | 0 | 114.3 | S9 F13 R67 Q71 T142 L143 E146 | S9-W11 PolarHBondContact O-N 3.48Å; W11-F13 HydrophobicContact CE3-CE2 4.23Å; W11-F13 HydrophobicContact CE3-CZ 4.14Å; W11-F13 WeakPolarHBondContact O-CD2 3.42Å; W11-F13 WeakPolarHBondContact O-CE2 3.43Å; W11-R67 HydrophobicContact CB-CG 4.45Å; W11-R67 VanDerWaalsContact CD1-NH2 3.34Å; W11-R67 HydrophobicContact CD2-CB 4.39Å; W11-R67 HydrophobicContact CD2-CG 3.98Å; W11-R67 HydrophobicContact CE3-CB 3.76Å; W11-R67 HydrophobicContact CE3-CG 3.69Å; W11-R67 HydrophobicContact CG-CG 4.31Å; W11-R67 VanDerWaalsContact CG-CZ 3.44Å; W11-R67 HydrophobicContact CH2-CB 4.46Å; W11-R67 HydrophobicContact CZ3-CB 3.8Å; W11-R67 HydrophobicContact CZ3-CG 4.26Å; W11-Q71 HydrophobicContact CH2-CG 4.47Å; W11-Q71 HydrophobicContact CZ3-CG 4.34Å; W11-T142 WeakPolarHBondContact CH2-O 3.44Å; W11-L143 HydrophobicContact CH2-CD2 4.42Å; W11-L143 WeakPolarHBondContact CZ2-O 3.36Å; W11-E146 VanDerWaalsContact CD1-CD 3.46Å; W11-E146 VanDerWaalsContact NE1-CD 3.26Å; W11-E146 PolarHBondContact NE1-OE1 2.76Å; W11-E146 PolarHBondContact NE1-OE2 3.38Å |
| 12 | Y | 94.8 | Very high | 74.5 | Confident | 70 Ų | 70 | 82.7 Ų | 82.7 | 28% | 0.275 | 47% | 0.466 | S | S | . | . | trans | -108.5 | 122 | 170.8 | -59.6 | -54.2 | 0 | 0 | 0 | 109.5 | S8 S9 L188 Y190 K191 P192 | S8-Y12 VanDerWaalsContact O-CD2 3.23Å; S8-Y12 WeakPolarHBondContact O-CD2 3.42Å; S8-Y12 WeakPolarHBondContact O-CE2 3.21Å; S9-Y12 PolarHBondContact O-N 3.4Å; Y12-L188 CarbonylContact C-O 3.54Å; Y12-L188 WeakPolarHBondContact CA-O 3.35Å; Y12-Y190 WeakPolarHBondContact CE1-O 3.31Å; Y12-K191 HydrophobicContact CE2-CG 4.16Å; Y12-P192 WeakPolarHBondContact OH-CD 3.16Å | ||
| 13 | F | 95.5 | Very high | 77.2 | Confident | 35 Ų | 35 | 77.3 Ų | 77.3 | 15% | 0.154 | 42% | 0.421 | C | S | . | . | trans | -119.5 | 147.7 | -170.2 | -58.4 | -85.7 | 0 | 0 | 0 | 110.2 | W11 Q17 L18 M70 L188 | W11-F13 HydrophobicContact CE3-CE2 4.23Å; W11-F13 HydrophobicContact CE3-CZ 4.14Å; W11-F13 WeakPolarHBondContact O-CD2 3.42Å; W11-F13 WeakPolarHBondContact O-CE2 3.43Å; F13-Q17 VanDerWaalsContact CA-OE1 3.25Å; F13-Q17 HydrophobicContact CB-CB 4.04Å; F13-Q17 HydrophobicContact CD1-CB 4.45Å; F13-L18 HydrophobicContact CB-CG 4.32Å; F13-M70 HydrophobicContact CB-CE 4.27Å; F13-M70 HydrophobicContact CD1-CE 3.98Å; F13-M70 HydrophobicContact CD2-CE 3.99Å; F13-M70 HydrophobicContact CD2-CG 4.16Å; F13-M70 HydrophobicContact CE1-CE 4.32Å; F13-M70 HydrophobicContact CE2-CB 4.07Å; F13-M70 HydrophobicContact CE2-CE 4.33Å; F13-M70 HydrophobicContact CE2-CG 3.79Å; F13-M70 HydrophobicContact CG-CE 3.81Å; F13-M70 HydrophobicContact CZ-CB 3.97Å; F13-M70 HydrophobicContact CZ-CE 4.48Å; F13-M70 HydrophobicContact CZ-CG 4.19Å; F13-L188 HydrophobicContact CD2-CB 4.16Å; F13-L188 WeakPolarHBondContact CD2-O 3.32Å; F13-L188 HydrophobicContact CE2-CD2 4.32Å; F13-L188 PolarHBondContact N-O 2.74Å | ||
| 14 | T | 94.6 | Very high | 80 | Confident | 72 Ų | 72 | 75.4 Ų | 75.4 | 44% | 0.442 | 40% | 0.395 | S | S | . | . | trans | -71.3 | 162.3 | 172.6 | 67 | 0 | 0 | 0 | 0 | 111.1 | E16 Q17 L18 | T14-E16 VanDerWaalsContact C-N 3.27Å; T14-E16 PolarHBondContact O-N 3.01Å; T14-Q17 PolarHBondContact O-N 2.89Å; T14-Q17 VanDerWaalsContact O-N 3.1Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.36Å; T14-Q17 PolarHBondContact OG1-N 2.93Å; T14-Q17 VanDerWaalsContact OG1-N 3.16Å; T14-L18 PolarHBondContact O-N 3.02Å | ||
| 15 | R | 91.9 | Very high | 83 | Confident | 104 Ų | 104 | 78 Ų | 78 | 39% | 0.392 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.4 | -42.2 | 172.6 | -74.4 | -178.8 | 172.3 | 147.1 | -6.5 | 111.5 | Q17 L18 E19 E235 E239 | R15-Q17 PolarHBondContact O-N 3.21Å; R15-L18 CarbonylContact O-C 3.6Å; R15-L18 WeakPolarHBondContact O-CA 3.45Å; R15-L18 WeakPolarHBondContact O-CB 3.44Å; R15-L18 PolarHBondContact O-N 2.77Å; R15-E19 WeakPolarHBondContact O-CG 3.49Å; R15-E19 PolarHBondContact O-N 3.06Å; R15-E235 IonicContact CZ-OE1 2.68Å; R15-E235 IonicContact NH1-OE1 3.29Å; R15-E235 PolarHBondContact NH1-OE1 3.49Å; R15-E235 IonicContact NH2-OE1 3.74Å; R15-E235 PolarHBondContact NH2-OE1 3.43Å; R15-E239 IonicContact CZ-OE2 3.2Å; R15-E239 IonicContact NE-OE2 2.87Å; R15-E239 IonicContact NH2-OE2 2.67Å; R15-E239 PolarHBondContact NH2-OE2 3.44Å |
| 16 | E | 92.8 | Very high | 85.3 | Confident | 136 Ų | 136 | 69.1 Ų | 69.1 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -57.9 | -40.4 | 173.1 | -178.2 | -171.3 | -169.1 | 0 | 0 | 113.2 | T14 L18 E19 N20 | T14-E16 VanDerWaalsContact C-N 3.27Å; T14-E16 PolarHBondContact O-N 3.01Å; E16-L18 VanDerWaalsContact C-N 3.31Å; E16-L18 PolarHBondContact O-N 3.16Å; E16-E19 PolarHBondContact O-N 3.11Å; E16-N20 PolarHBondContact O-N 2.73Å; E16-N20 VanDerWaalsContact O-N 3.12Å; E16-N20 PolarHBondContact O-ND2 3.39Å |
| 17 | Q | 94.2 | Very high | 88.1 | Confident | 95 Ų | 95 | 69.5 Ų | 69.5 | 44% | 0.444 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.5 | -29.4 | 175.4 | -73.6 | 171.1 | -21.2 | 0 | 0 | 112.4 | F13 T14 R15 N20 | F13-Q17 VanDerWaalsContact CA-OE1 3.25Å; F13-Q17 HydrophobicContact CB-CB 4.04Å; F13-Q17 HydrophobicContact CD1-CB 4.45Å; T14-Q17 PolarHBondContact O-N 2.89Å; T14-Q17 VanDerWaalsContact O-N 3.1Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.36Å; T14-Q17 PolarHBondContact OG1-N 2.93Å; T14-Q17 VanDerWaalsContact OG1-N 3.16Å; R15-Q17 PolarHBondContact O-N 3.21Å; Q17-N20 PolarHBondContact O-N 3.4Å |
| 18 | L | 93.6 | Very high | 90.5 | Very high | 20 Ų | 20 | 66.3 Ų | 66.3 | 11% | 0.105 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -79.9 | -17.7 | 172.3 | -76.6 | 161.7 | 0 | 0 | 0 | 113.5 | F13 T14 R15 E16 T21 M70 T185 L188 Q189 | F13-L18 HydrophobicContact CB-CG 4.32Å; T14-L18 PolarHBondContact O-N 3.02Å; R15-L18 CarbonylContact O-C 3.6Å; R15-L18 WeakPolarHBondContact O-CA 3.45Å; R15-L18 WeakPolarHBondContact O-CB 3.44Å; R15-L18 PolarHBondContact O-N 2.77Å; E16-L18 VanDerWaalsContact C-N 3.31Å; E16-L18 PolarHBondContact O-N 3.16Å; L18-T21 WeakPolarHBondContact O-CG2 3.46Å; L18-M70 HydrophobicContact CD2-CE 3.7Å; L18-M70 HydrophobicContact CD2-SD 3.54Å; L18-M70 VanDerWaalsContact CD2-SD 3.54Å; L18-M70 HydrophobicContact CG-CE 4.23Å; L18-T185 HydrophobicContact CD2-CG2 4.48Å; L18-L188 HydrophobicContact CD2-CD1 4.25Å; L18-Q189 HydrophobicContact CD1-CG 3.27Å |
| 19 | E | 92.4 | Very high | 92.4 | Very high | 123 Ų | 123 | 67.9 Ų | 67.9 | 58% | 0.575 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -79.7 | -24.8 | 167.1 | -72.8 | 166 | -176.9 | 0 | 0 | 111.5 | R15 E16 R24 | R15-E19 WeakPolarHBondContact O-CG 3.49Å; R15-E19 PolarHBondContact O-N 3.06Å; E16-E19 PolarHBondContact O-N 3.11Å; E19-R24 WeakPolarHBondContact O-CB 3.43Å; E19-R24 WeakPolarHBondContact O-CD 3.5Å; E19-R24 WeakPolarHBondContact O-CG 3.39Å |
| 20 | N | 93.9 | Very high | 93.8 | Very high | 91 Ų | 91 | 67.1 Ų | 67.1 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -106 | 31.2 | -176.8 | -73.7 | -77.5 | 0 | 0 | 0 | 114.3 | E16 Q17 R25 | E16-N20 PolarHBondContact O-N 2.73Å; E16-N20 VanDerWaalsContact O-N 3.12Å; E16-N20 PolarHBondContact O-ND2 3.39Å; Q17-N20 PolarHBondContact O-N 3.4Å; N20-R25 PolarHBondContact O-NH1 2.86Å |
| 21 | T | 96.1 | Very high | 94 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | trans | -56.9 | 160.7 | -178.6 | 83.2 | 0 | 0 | 0 | 0 | 113.3 | L18 S23 R24 R25 E33 M70 | L18-T21 WeakPolarHBondContact O-CG2 3.46Å; T21-S23 PolarHBondContact O-N 2.96Å; T21-S23 VanDerWaalsContact O-N 3.16Å; T21-S23 PolarHBondContact OG1-N 3.21Å; T21-S23 VanDerWaalsContact OG1-N 3.09Å; T21-R24 HydrophobicContact CG2-CG 4.15Å; T21-R24 WeakPolarHBondContact O-CB 3.43Å; T21-R24 PolarHBondContact O-N 3.46Å; T21-R24 VanDerWaalsContact O-N 3.11Å; T21-R24 VanDerWaalsContact OG1-CG 3.28Å; T21-R24 WeakPolarHBondContact OG1-CG 3.23Å; T21-R24 PolarHBondContact OG1-N 3.44Å; T21-R25 WeakPolarHBondContact O-CG 3.32Å; T21-R25 PolarHBondContact O-N 3.17Å; T21-E33 PolarHBondContact OG1-OE2 3.25Å; T21-M70 HydrophobicContact CG2-SD 4.45Å | ||
| 22 | P | 96.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 74.4 Ų | 74.4 | 7% | 0.071 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.8 | 170.4 | -21.9 | 32 | 0 | 0 | 0 | 113.8 | C26 M70 Q71 | P22-C26 PolarHBondContact O-N 2.64Å; P22-C26 PolarHBondContact O-SG 2.81Å; P22-M70 VanDerWaalsContact CD-O 3.31Å; P22-M70 WeakPolarHBondContact CD-O 3.38Å; P22-M70 WeakPolarHBondContact CG-O 3.35Å; P22-Q71 VanDerWaalsContact CG-C 3.46Å; P22-Q71 WeakPolarHBondContact CG-O 3.19Å |
| 23 | S | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -39.3 | 175.9 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | T21 R25 C26 G27 L28 E33 S73 F74 | T21-S23 PolarHBondContact O-N 2.96Å; T21-S23 VanDerWaalsContact O-N 3.16Å; T21-S23 PolarHBondContact OG1-N 3.21Å; T21-S23 VanDerWaalsContact OG1-N 3.09Å; S23-R25 VanDerWaalsContact C-N 3.34Å; S23-R25 PolarHBondContact O-N 2.93Å; S23-C26 CarbonylContact O-C 3.45Å; S23-C26 WeakPolarHBondContact O-CA 3.31Å; S23-C26 PolarHBondContact O-N 3.24Å; S23-G27 PolarHBondContact O-N 3.45Å; S23-L28 WeakPolarHBondContact O-CB 3.37Å; S23-L28 PolarHBondContact O-N 2.99Å; S23-E33 WeakPolarHBondContact CB-OE2 3.44Å; S23-S73 WeakPolarHBondContact OG-CA 3.34Å; S23-F74 WeakPolarHBondContact OG-CD2 3.45Å; S23-F74 PolarHBondContact OG-N 3.23Å; S23-F74 VanDerWaalsContact OG-N 3.1Å |
| 24 | R | 94.1 | Very high | 94.1 | Very high | 50 Ų | 50 | 71.6 Ų | 71.6 | 19% | 0.189 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -58.9 | -45.7 | 173.5 | -62.1 | -94.3 | 178.7 | -84 | -5.5 | 111.1 | E19 T21 C26 G27 L28 E29 S30 E33 | E19-R24 WeakPolarHBondContact O-CB 3.43Å; E19-R24 WeakPolarHBondContact O-CD 3.5Å; E19-R24 WeakPolarHBondContact O-CG 3.39Å; T21-R24 HydrophobicContact CG2-CG 4.15Å; T21-R24 WeakPolarHBondContact O-CB 3.43Å; T21-R24 PolarHBondContact O-N 3.46Å; T21-R24 VanDerWaalsContact O-N 3.11Å; T21-R24 VanDerWaalsContact OG1-CG 3.28Å; T21-R24 WeakPolarHBondContact OG1-CG 3.23Å; T21-R24 PolarHBondContact OG1-N 3.44Å; R24-C26 PolarHBondContact O-N 2.88Å; R24-C26 VanDerWaalsContact O-N 3.11Å; R24-G27 PolarHBondContact O-N 2.91Å; R24-L28 PolarHBondContact NH1-O 3.29Å; R24-E29 PolarHBondContact NH1-O 3.47Å; R24-S30 VanDerWaalsContact CZ-CB 3.4Å; R24-S30 PolarHBondContact NH2-O 3.43Å; R24-S30 PolarHBondContact NH2-OG 3.47Å; R24-E33 IonicContact CZ-OE2 2.61Å; R24-E33 VanDerWaalsContact NH1-CB 3.31Å; R24-E33 IonicContact NH1-OE2 3.5Å; R24-E33 PolarHBondContact NH1-OE2 3.4Å; R24-E33 IonicContact NH2-OE2 2.67Å |
| 25 | R | 94.7 | Very high | 94.2 | Very high | 176 Ų | 176 | 70.3 Ų | 70.3 | 66% | 0.664 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -64.6 | -11.2 | 174.7 | -59.6 | -170.4 | -51.5 | -99.8 | 11.4 | 113.9 | N20 T21 S23 | N20-R25 PolarHBondContact O-NH1 2.86Å; T21-R25 WeakPolarHBondContact O-CG 3.32Å; T21-R25 PolarHBondContact O-N 3.17Å; S23-R25 VanDerWaalsContact C-N 3.34Å; S23-R25 PolarHBondContact O-N 2.93Å |
| 26 | C | 93.6 | Very high | 94.4 | Very high | 60 Ų | 60 | 68 Ų | 68 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -103.6 | 16.9 | 169.7 | -67.8 | 0 | 0 | 0 | 0 | 113.5 | P22 S23 R24 T75 | P22-C26 PolarHBondContact O-N 2.64Å; P22-C26 PolarHBondContact O-SG 2.81Å; S23-C26 CarbonylContact O-C 3.45Å; S23-C26 WeakPolarHBondContact O-CA 3.31Å; S23-C26 PolarHBondContact O-N 3.24Å; R24-C26 PolarHBondContact O-N 2.88Å; R24-C26 VanDerWaalsContact O-N 3.11Å; C26-T75 HydrophobicContact CB-CG2 4.16Å; C26-T75 WeakPolarHBondContact CB-OG1 3.44Å |
| 27 | G | 92.9 | Very high | 94.7 | Very high | 63 Ų | 63 | 61.8 Ų | 61.8 | 65% | 0.649 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 23.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S23 R24 | S23-G27 PolarHBondContact O-N 3.45Å; R24-G27 PolarHBondContact O-N 2.91Å |
| 28 | L | 94.6 | Very high | 94.8 | Very high | 12 Ų | 12 | 58.8 Ų | 58.8 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | trans | -90.7 | 121.7 | 175.1 | -160.5 | 76.2 | 0 | 0 | 0 | 111.6 | S23 R24 R32 E33 Y36 F74 | S23-L28 WeakPolarHBondContact O-CB 3.37Å; S23-L28 PolarHBondContact O-N 2.99Å; R24-L28 PolarHBondContact NH1-O 3.29Å; L28-R32 HydrophobicContact CD1-CG 4.03Å; L28-R32 HydrophobicContact CG-CG 4.42Å; L28-E33 HydrophobicContact CD2-CB 3.8Å; L28-E33 HydrophobicContact CD2-CG 3.99Å; L28-E33 HydrophobicContact CG-CB 4.48Å; L28-Y36 HydrophobicContact CD1-CD2 4.43Å; L28-Y36 HydrophobicContact CD1-CE2 3.82Å; L28-Y36 HydrophobicContact CD2-CD2 3.91Å; L28-Y36 HydrophobicContact CD2-CE2 4.13Å; L28-F74 HydrophobicContact CD2-CB 4.07Å; L28-F74 HydrophobicContact CD2-CD2 4.17Å; L28-F74 HydrophobicContact CD2-CG 4.48Å | ||
| 29 | E | 94.8 | Very high | 95 | Very high | 127 Ų | 127 | 61.5 Ų | 61.5 | 59% | 0.593 | 31% | 0.314 | S | S | * | . | trans | -67.4 | 154.3 | -174.9 | -76.9 | -53.9 | 143 | 0 | 0 | 116.7 | R24 R32 E33 | R24-E29 PolarHBondContact NH1-O 3.47Å; E29-R32 HydrophobicContact CB-CB 4.06Å; E29-R32 WeakPolarHBondContact O-CB 3.3Å; E29-R32 PolarHBondContact O-N 3.22Å; E29-R32 VanDerWaalsContact O-N 3.12Å; E29-E33 PolarHBondContact O-N 3.38Å | ||
| 30 | S | 92.3 | Very high | 95.2 | Very high | 65 Ų | 65 | 55.7 Ų | 55.7 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -7.4 | -103.2 | 162.2 | -146 | 0 | 0 | 0 | 0 | 115.5 | R24 R32 E33 | R24-S30 VanDerWaalsContact CZ-CB 3.4Å; R24-S30 PolarHBondContact NH2-O 3.43Å; R24-S30 PolarHBondContact NH2-OG 3.47Å; S30-R32 PolarHBondContact O-N 3.08Å; S30-E33 PolarHBondContact O-N 2.86Å |
| 31 | D | 91.8 | Very high | 95.5 | Very high | 110 Ų | 110 | 51.3 Ų | 51.3 | 59% | 0.588 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.5 | -18.7 | 179.3 | -51.6 | -90.8 | 0 | 0 | 0 | 113.9 | L34 S35 | D31-L34 PolarHBondContact O-N 2.81Å; D31-S35 VanDerWaalsContact O-CB 3.24Å; D31-S35 WeakPolarHBondContact O-CB 3.46Å; D31-S35 PolarHBondContact O-N 3.14Å |
| 32 | R | 94.7 | Very high | 95.5 | Very high | 140 Ų | 140 | 54 Ų | 54 | 53% | 0.528 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.3 | -42.7 | 179.5 | -171.4 | -179.9 | -67.7 | -170.5 | 3.5 | 111 | L28 E29 S30 S35 Y36 | L28-R32 HydrophobicContact CD1-CG 4.03Å; L28-R32 HydrophobicContact CG-CG 4.42Å; E29-R32 HydrophobicContact CB-CB 4.06Å; E29-R32 WeakPolarHBondContact O-CB 3.3Å; E29-R32 PolarHBondContact O-N 3.22Å; E29-R32 VanDerWaalsContact O-N 3.12Å; S30-R32 PolarHBondContact O-N 3.08Å; R32-S35 PolarHBondContact O-N 3.07Å; R32-Y36 HydrophobicContact CG-CD1 4.47Å; R32-Y36 HydrophobicContact CG-CE1 3.92Å; R32-Y36 HydrophobicContact CG-CE2 4.29Å; R32-Y36 VanDerWaalsContact O-CD1 3.31Å; R32-Y36 WeakPolarHBondContact O-CD1 3.49Å; R32-Y36 VanDerWaalsContact O-CG 3.3Å; R32-Y36 PolarHBondContact O-N 3.34Å |
| 33 | E | 96.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66 | -43.2 | 174 | -166.5 | -172.2 | 143.2 | 0 | 0 | 111.6 | T21 S23 R24 L28 E29 S30 S35 Y36 R37 F74 | T21-E33 PolarHBondContact OG1-OE2 3.25Å; S23-E33 WeakPolarHBondContact CB-OE2 3.44Å; R24-E33 IonicContact CZ-OE2 2.61Å; R24-E33 VanDerWaalsContact NH1-CB 3.31Å; R24-E33 IonicContact NH1-OE2 3.5Å; R24-E33 PolarHBondContact NH1-OE2 3.4Å; R24-E33 IonicContact NH2-OE2 2.67Å; L28-E33 HydrophobicContact CD2-CB 3.8Å; L28-E33 HydrophobicContact CD2-CG 3.99Å; L28-E33 HydrophobicContact CG-CB 4.48Å; E29-E33 PolarHBondContact O-N 3.38Å; S30-E33 PolarHBondContact O-N 2.86Å; E33-S35 VanDerWaalsContact C-N 3.32Å; E33-S35 PolarHBondContact O-N 3.35Å; E33-Y36 PolarHBondContact O-N 2.98Å; E33-Y36 VanDerWaalsContact O-N 3.1Å; E33-R37 WeakPolarHBondContact O-CG 3.31Å; E33-R37 PolarHBondContact O-N 3.29Å; E33-R37 IonicContact OE1-CZ 3.24Å; E33-R37 IonicContact OE1-NE 2.72Å; E33-R37 PolarHBondContact OE1-NE 3.34Å; E33-R37 IonicContact OE1-NH2 2.87Å; E33-R37 PolarHBondContact OE1-NH2 3.11Å; E33-F74 HydrophobicContact CG-CD2 3.79Å; E33-F74 HydrophobicContact CG-CE2 3.68Å |
| 34 | L | 94.6 | Very high | 95.7 | Very high | 42 Ų | 42 | 54.4 Ų | 54.4 | 22% | 0.22 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 176.7 | -177 | 60.4 | 0 | 0 | 0 | 110.9 | D31 Y36 R37 Q38 | D31-L34 PolarHBondContact O-N 2.81Å; L34-Y36 VanDerWaalsContact C-N 3.32Å; L34-Y36 PolarHBondContact O-N 2.84Å; L34-R37 PolarHBondContact O-N 3.42Å; L34-Q38 WeakPolarHBondContact O-CB 3.31Å; L34-Q38 VanDerWaalsContact O-CG 3.25Å; L34-Q38 WeakPolarHBondContact O-CG 3.18Å; L34-Q38 PolarHBondContact O-N 3.01Å |
| 35 | S | 95.4 | Very high | 95.9 | Very high | 46 Ų | 46 | 52.7 Ų | 52.7 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.3 | -37.3 | 174.1 | -169.7 | 0 | 0 | 0 | 0 | 112.4 | D31 R32 E33 Q38 Q39 | D31-S35 VanDerWaalsContact O-CB 3.24Å; D31-S35 WeakPolarHBondContact O-CB 3.46Å; D31-S35 PolarHBondContact O-N 3.14Å; R32-S35 PolarHBondContact O-N 3.07Å; E33-S35 VanDerWaalsContact C-N 3.32Å; E33-S35 PolarHBondContact O-N 3.35Å; S35-Q38 PolarHBondContact O-N 3.08Å; S35-Q39 VanDerWaalsContact O-CB 3.32Å; S35-Q39 WeakPolarHBondContact O-CB 3.34Å; S35-Q39 WeakPolarHBondContact O-CG 3.35Å; S35-Q39 PolarHBondContact O-N 3.39Å; S35-Q39 PolarHBondContact O-NE2 2.99Å; S35-Q39 PolarHBondContact OG-NE2 2.89Å |
| 36 | Y | 97.5 | Very high | 96 | Very high | 56 Ų | 56 | 48.2 Ų | 48.2 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 176.1 | -72.5 | 3.4 | 0 | 0 | 0 | 112.4 | L28 R32 E33 L34 Q39 A40 F74 R79 | L28-Y36 HydrophobicContact CD1-CD2 4.43Å; L28-Y36 HydrophobicContact CD1-CE2 3.82Å; L28-Y36 HydrophobicContact CD2-CD2 3.91Å; L28-Y36 HydrophobicContact CD2-CE2 4.13Å; R32-Y36 HydrophobicContact CG-CD1 4.47Å; R32-Y36 HydrophobicContact CG-CE1 3.92Å; R32-Y36 HydrophobicContact CG-CE2 4.29Å; R32-Y36 VanDerWaalsContact O-CD1 3.31Å; R32-Y36 WeakPolarHBondContact O-CD1 3.49Å; R32-Y36 VanDerWaalsContact O-CG 3.3Å; R32-Y36 PolarHBondContact O-N 3.34Å; E33-Y36 PolarHBondContact O-N 2.98Å; E33-Y36 VanDerWaalsContact O-N 3.1Å; L34-Y36 VanDerWaalsContact C-N 3.32Å; L34-Y36 PolarHBondContact O-N 2.84Å; Y36-Q39 PolarHBondContact O-N 3.01Å; Y36-A40 WeakPolarHBondContact O-CB 3.35Å; Y36-A40 PolarHBondContact O-N 3.25Å; Y36-F74 HydrophobicContact CD2-CB 3.93Å; Y36-F74 HydrophobicContact CD2-CD1 4.16Å; Y36-F74 HydrophobicContact CD2-CD2 4.46Å; Y36-F74 AromaticContact CD2-CG 3.95Å; Y36-F74 HydrophobicContact CD2-CG 3.95Å; Y36-R79 WeakPolarHBondContact O-CD 3.33Å |
| 37 | R | 98.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 172 | -68.2 | 172.7 | -179.3 | -92.6 | 7.1 | 111.3 | E33 L34 A40 A41 M65 H66 Y69 F74 | E33-R37 WeakPolarHBondContact O-CG 3.31Å; E33-R37 PolarHBondContact O-N 3.29Å; E33-R37 IonicContact OE1-CZ 3.24Å; E33-R37 IonicContact OE1-NE 2.72Å; E33-R37 PolarHBondContact OE1-NE 3.34Å; E33-R37 IonicContact OE1-NH2 2.87Å; E33-R37 PolarHBondContact OE1-NH2 3.11Å; L34-R37 PolarHBondContact O-N 3.42Å; R37-A40 WeakPolarHBondContact O-CB 3.47Å; R37-A40 PolarHBondContact O-N 3.39Å; R37-A41 PolarHBondContact O-N 2.87Å; R37-M65 HydrophobicContact CB-CE 4.33Å; R37-M65 HydrophobicContact CB-SD 4.4Å; R37-M65 HydrophobicContact CG-SD 4.32Å; R37-M65 WeakPolarHBondContact O-CE 3.42Å; R37-H66 PolarHBondContact NH1-O 3.05Å; R37-Y69 PolarHBondContact NH2-O 2.88Å; R37-F74 HydrophobicContact CB-CZ 4.48Å; R37-F74 HydrophobicContact CG-CE2 3.77Å; R37-F74 HydrophobicContact CG-CZ 3.59Å |
| 38 | Q | 96.9 | Very high | 96.5 | Very high | 33 Ų | 33 | 42.4 Ų | 42.4 | 15% | 0.154 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 175.8 | -72.1 | 172.7 | -5 | 0 | 0 | 112.7 | L34 S35 A41 N42 H182 L183 | L34-Q38 WeakPolarHBondContact O-CB 3.31Å; L34-Q38 VanDerWaalsContact O-CG 3.25Å; L34-Q38 WeakPolarHBondContact O-CG 3.18Å; L34-Q38 PolarHBondContact O-N 3.01Å; S35-Q38 PolarHBondContact O-N 3.08Å; Q38-A41 PolarHBondContact O-N 3.16Å; Q38-N42 VanDerWaalsContact O-CG 3.32Å; Q38-N42 PolarHBondContact O-N 3.39Å; Q38-N42 PolarHBondContact O-ND2 3.18Å; Q38-H182 WeakPolarHBondContact CG-O 3.36Å; Q38-L183 HydrophobicContact CG-CD2 4.42Å; Q38-L183 PolarHBondContact NE2-O 3.04Å |
| 39 | Q | 96.4 | Very high | 96.6 | Very high | 77 Ų | 77 | 47.7 Ų | 47.7 | 36% | 0.36 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.8 | -40.7 | 175.6 | -74.9 | 171.3 | 53.7 | 0 | 0 | 111.8 | S35 Y36 N42 L43 R79 | S35-Q39 VanDerWaalsContact O-CB 3.32Å; S35-Q39 WeakPolarHBondContact O-CB 3.34Å; S35-Q39 WeakPolarHBondContact O-CG 3.35Å; S35-Q39 PolarHBondContact O-N 3.39Å; S35-Q39 PolarHBondContact O-NE2 2.99Å; S35-Q39 PolarHBondContact OG-NE2 2.89Å; Y36-Q39 PolarHBondContact O-N 3.01Å; Q39-N42 PolarHBondContact O-N 3.43Å; Q39-L43 PolarHBondContact O-N 2.96Å; Q39-R79 VanDerWaalsContact OE1-CZ 3.31Å; Q39-R79 VanDerWaalsContact OE1-NE 3.12Å |
| 40 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y36 R37 N42 L43 I44 M65 R79 | Y36-A40 WeakPolarHBondContact O-CB 3.35Å; Y36-A40 PolarHBondContact O-N 3.25Å; R37-A40 WeakPolarHBondContact O-CB 3.47Å; R37-A40 PolarHBondContact O-N 3.39Å; A40-N42 VanDerWaalsContact C-N 3.33Å; A40-N42 PolarHBondContact O-N 2.92Å; A40-L43 PolarHBondContact O-N 3.14Å; A40-L43 VanDerWaalsContact O-N 3.15Å; A40-I44 VanDerWaalsContact O-CG1 3.27Å; A40-I44 WeakPolarHBondContact O-CG1 3.14Å; A40-I44 PolarHBondContact O-N 2.99Å; A40-M65 HydrophobicContact CB-CE 4.06Å; A40-M65 HydrophobicContact CB-CG 3.91Å; A40-M65 HydrophobicContact CB-SD 3.91Å; A40-R79 HydrophobicContact CB-CB 4.08Å |
| 41 | A | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -37.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R37 Q38 Q45 I62 M65 H182 | R37-A41 PolarHBondContact O-N 2.87Å; Q38-A41 PolarHBondContact O-N 3.16Å; A41-Q45 WeakPolarHBondContact O-CB 3.48Å; A41-Q45 PolarHBondContact O-N 3.19Å; A41-Q45 VanDerWaalsContact O-N 3.09Å; A41-I62 HydrophobicContact CB-CD1 4.06Å; A41-I62 HydrophobicContact CB-CG1 4.08Å; A41-I62 HydrophobicContact CB-CG2 4.17Å; A41-M65 HydrophobicContact CB-CE 4.4Å; A41-H182 VanDerWaalsContact C-CE1 3.47Å; A41-H182 HydrophobicContact CB-CB 4.38Å; A41-H182 PolarHBondContact O-CE1 3.1Å |
| 42 | N | 96.8 | Very high | 97.3 | Very high | 58 Ų | 58 | 46.4 Ų | 46.4 | 31% | 0.31 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.4 | -46.1 | 171.7 | -68.7 | -45.2 | 0 | 0 | 0 | 111.7 | Q38 Q39 A40 I44 Q45 D46 R250 | Q38-N42 VanDerWaalsContact O-CG 3.32Å; Q38-N42 PolarHBondContact O-N 3.39Å; Q38-N42 PolarHBondContact O-ND2 3.18Å; Q39-N42 PolarHBondContact O-N 3.43Å; A40-N42 VanDerWaalsContact C-N 3.33Å; A40-N42 PolarHBondContact O-N 2.92Å; N42-I44 PolarHBondContact O-N 3.1Å; N42-Q45 WeakPolarHBondContact O-CB 3.41Å; N42-Q45 PolarHBondContact O-N 2.88Å; N42-D46 PolarHBondContact O-N 3.12Å; N42-R250 PolarHBondContact OD1-NH1 3.31Å |
| 43 | L | 98.1 | Very high | 97.5 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 11% | 0.105 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 177.6 | 177 | 60.4 | 0 | 0 | 0 | 112.2 | Q39 A40 Q45 D46 M47 C110 L111 | Q39-L43 PolarHBondContact O-N 2.96Å; A40-L43 PolarHBondContact O-N 3.14Å; A40-L43 VanDerWaalsContact O-N 3.15Å; L43-Q45 VanDerWaalsContact C-N 3.3Å; L43-Q45 PolarHBondContact O-N 3.25Å; L43-D46 PolarHBondContact O-N 2.68Å; L43-M47 HydrophobicContact CD1-CG 4.08Å; L43-M47 HydrophobicContact CD1-SD 4.38Å; L43-M47 HydrophobicContact CG-SD 4.47Å; L43-M47 VanDerWaalsContact O-CB 3.3Å; L43-M47 WeakPolarHBondContact O-CB 3.1Å; L43-M47 WeakPolarHBondContact O-CG 3.35Å; L43-M47 PolarHBondContact O-N 3.03Å; L43-C110 HydrophobicContact CD1-CB 3.78Å; L43-L111 HydrophobicContact CD1-CD2 3.99Å; L43-L111 HydrophobicContact CD1-CG 4.41Å; L43-L111 HydrophobicContact CD2-CD2 3.74Å |
| 44 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.2 | -40.4 | 176.1 | -66.1 | 167.1 | 0 | 0 | 0 | 110.9 | A40 N42 G48 I58 A61 I62 M65 L87 | A40-I44 VanDerWaalsContact O-CG1 3.27Å; A40-I44 WeakPolarHBondContact O-CG1 3.14Å; A40-I44 PolarHBondContact O-N 2.99Å; N42-I44 PolarHBondContact O-N 3.1Å; I44-G48 PolarHBondContact O-N 3.11Å; I44-I58 HydrophobicContact CG2-CG2 4.33Å; I44-A61 HydrophobicContact CG2-CB 3.6Å; I44-I62 HydrophobicContact CB-CG1 4.19Å; I44-I62 HydrophobicContact CD1-CG1 4.13Å; I44-I62 HydrophobicContact CG2-CG1 3.96Å; I44-M65 HydrophobicContact CD1-CB 3.93Å; I44-M65 HydrophobicContact CD1-CG 4.22Å; I44-L87 HydrophobicContact CG2-CB 4.41Å; I44-L87 HydrophobicContact CG2-CD1 4.16Å |
| 45 | Q | 98.3 | Very high | 97.7 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 7% | 0.065 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.9 | -46.1 | 177.8 | 177.8 | 77.3 | 72.7 | 0 | 0 | 112.9 | A41 N42 L43 G48 Q49 I58 H182 | A41-Q45 WeakPolarHBondContact O-CB 3.48Å; A41-Q45 PolarHBondContact O-N 3.19Å; A41-Q45 VanDerWaalsContact O-N 3.09Å; N42-Q45 WeakPolarHBondContact O-CB 3.41Å; N42-Q45 PolarHBondContact O-N 2.88Å; L43-Q45 VanDerWaalsContact C-N 3.3Å; L43-Q45 PolarHBondContact O-N 3.25Å; Q45-G48 PolarHBondContact O-N 2.63Å; Q45-Q49 WeakPolarHBondContact O-CG 3.31Å; Q45-Q49 PolarHBondContact O-N 2.99Å; Q45-I58 HydrophobicContact CB-CG2 4.15Å; Q45-H182 WeakPolarHBondContact CB-CE1 3.35Å; Q45-H182 VanDerWaalsContact CD-NE2 3.32Å; Q45-H182 WeakPolarHBondContact CG-CE1 3.39Å; Q45-H182 PolarHBondContact OE1-CE1 3.24Å; Q45-H182 PolarHBondContact OE1-NE2 2.62Å |
| 46 | D | 97.3 | Very high | 97.8 | Very high | 81 Ų | 81 | 44 Ų | 44 | 43% | 0.433 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.3 | -39.3 | -179.3 | -69.7 | -6.5 | 0 | 0 | 0 | 110.9 | N42 L43 R50 | N42-D46 PolarHBondContact O-N 3.12Å; L43-D46 PolarHBondContact O-N 2.68Å; D46-R50 WeakPolarHBondContact O-CG 3.18Å; D46-R50 PolarHBondContact O-N 3.43Å |
| 47 | M | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63 | -46 | 170 | -77.2 | -166.6 | 62.6 | 0 | 0 | 112.2 | L43 Q49 R50 L51 P84 L87 V103 V106 A107 C110 | L43-M47 HydrophobicContact CD1-CG 4.08Å; L43-M47 HydrophobicContact CD1-SD 4.38Å; L43-M47 HydrophobicContact CG-SD 4.47Å; L43-M47 VanDerWaalsContact O-CB 3.3Å; L43-M47 WeakPolarHBondContact O-CB 3.1Å; L43-M47 WeakPolarHBondContact O-CG 3.35Å; L43-M47 PolarHBondContact O-N 3.03Å; M47-Q49 VanDerWaalsContact C-N 3.34Å; M47-Q49 PolarHBondContact O-N 3.02Å; M47-R50 PolarHBondContact O-N 2.91Å; M47-R50 VanDerWaalsContact O-N 3.17Å; M47-L51 HydrophobicContact CE-CD1 4.28Å; M47-L51 WeakPolarHBondContact O-CB 3.12Å; M47-L51 WeakPolarHBondContact O-CG 3.47Å; M47-L51 PolarHBondContact O-N 3.16Å; M47-P84 HydrophobicContact CE-CB 3.8Å; M47-P84 HydrophobicContact SD-CB 3.97Å; M47-L87 HydrophobicContact CB-CD2 3.6Å; M47-L87 HydrophobicContact CE-CD2 4.38Å; M47-V103 HydrophobicContact CE-CG1 3.78Å; M47-V103 WeakPolarHBondContact CE-O 3.17Å; M47-V106 HydrophobicContact CB-CG1 4.15Å; M47-V106 HydrophobicContact CE-CG1 4.25Å; M47-V106 HydrophobicContact CG-CG1 4.13Å; M47-A107 HydrophobicContact CE-CB 3.67Å; M47-A107 HydrophobicContact SD-CB 3.88Å; M47-C110 HydrophobicContact CG-CB 4.18Å |
| 48 | G | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.7 | -36.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I44 Q45 L51 N52 V53 | I44-G48 PolarHBondContact O-N 3.11Å; Q45-G48 PolarHBondContact O-N 2.63Å; G48-L51 PolarHBondContact O-N 3.09Å; G48-N52 PolarHBondContact O-N 3.16Å; G48-N52 VanDerWaalsContact O-N 3.08Å; G48-V53 WeakPolarHBondContact O-CG2 3.28Å; G48-V53 PolarHBondContact O-N 2.85Å; G48-V53 VanDerWaalsContact O-N 3.09Å |
| 49 | Q | 97.9 | Very high | 97.9 | Very high | 124 Ų | 124 | 39.7 Ų | 39.7 | 58% | 0.579 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -63.5 | -44.5 | 171.4 | -73.2 | 176.7 | 6.9 | 0 | 0 | 111.6 | Q45 M47 N52 | Q45-Q49 WeakPolarHBondContact O-CG 3.31Å; Q45-Q49 PolarHBondContact O-N 2.99Å; M47-Q49 VanDerWaalsContact C-N 3.34Å; M47-Q49 PolarHBondContact O-N 3.02Å; Q49-N52 PolarHBondContact O-N 2.68Å; Q49-N52 VanDerWaalsContact O-N 3.09Å |
| 50 | R | 97.4 | Very high | 98 | Very high | 138 Ų | 138 | 36 Ų | 36 | 52% | 0.521 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68.2 | -33.2 | 177.4 | -70.3 | 174.5 | -176 | -148.8 | 7 | 113.6 | D46 M47 N52 V106 A109 C110 | D46-R50 WeakPolarHBondContact O-CG 3.18Å; D46-R50 PolarHBondContact O-N 3.43Å; M47-R50 PolarHBondContact O-N 2.91Å; M47-R50 VanDerWaalsContact O-N 3.17Å; R50-N52 PolarHBondContact O-N 2.71Å; R50-V106 HydrophobicContact CB-CG1 3.64Å; R50-V106 HydrophobicContact CB-CG2 4.35Å; R50-A109 VanDerWaalsContact NH1-C 3.33Å; R50-A109 PolarHBondContact NH1-O 3.26Å; R50-C110 VanDerWaalsContact CD-SG 3.57Å |
| 51 | L | 97.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -5 | 171.6 | -72.8 | 166.5 | 0 | 0 | 0 | 113.2 | M47 G48 V53 L87 R98 V103 V106 | M47-L51 HydrophobicContact CE-CD1 4.28Å; M47-L51 WeakPolarHBondContact O-CB 3.12Å; M47-L51 WeakPolarHBondContact O-CG 3.47Å; M47-L51 PolarHBondContact O-N 3.16Å; G48-L51 PolarHBondContact O-N 3.09Å; L51-V53 VanDerWaalsContact C-N 3.32Å; L51-V53 HydrophobicContact CB-CG1 4.37Å; L51-V53 PolarHBondContact O-N 3.02Å; L51-L87 HydrophobicContact CD1-CD2 3.89Å; L51-L87 HydrophobicContact CD1-CG 4.44Å; L51-R98 HydrophobicContact CD2-CB 4.46Å; L51-R98 HydrophobicContact CD2-CG 4.4Å; L51-R98 PolarHBondContact O-NE 3.01Å; L51-V103 HydrophobicContact CD1-CB 4.47Å; L51-V103 HydrophobicContact CD1-CG1 4.31Å; L51-V103 HydrophobicContact CD1-CG2 4Å; L51-V103 HydrophobicContact CD2-CG2 4.16Å; L51-V106 HydrophobicContact CD2-CB 4.18Å; L51-V106 HydrophobicContact CD2-CG2 3.83Å; L51-V106 HydrophobicContact CG-CB 4.17Å; L51-V106 HydrophobicContact CG-CG1 4.1Å; L51-V106 HydrophobicContact CG-CG2 4.1Å |
| 52 | N | 97.4 | Very high | 98.1 | Very high | 132 Ų | 132 | 36 Ų | 36 | 71% | 0.706 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 52.7 | -176 | -162.7 | 71.5 | 0 | 0 | 0 | 111.9 | G48 Q49 R50 R98 | G48-N52 PolarHBondContact O-N 3.16Å; G48-N52 VanDerWaalsContact O-N 3.08Å; Q49-N52 PolarHBondContact O-N 2.68Å; Q49-N52 VanDerWaalsContact O-N 3.09Å; R50-N52 PolarHBondContact O-N 2.71Å; N52-R98 PolarHBondContact O-NH2 3.11Å |
| 53 | V | 98.3 | Very high | 98.2 | Very high | 15 Ų | 15 | 33.6 Ų | 33.6 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | trans | -103.1 | 160.8 | 170.4 | -65.5 | 0 | 0 | 0 | 0 | 110.5 | G48 L51 T57 I58 L87 Q96 R98 | G48-V53 WeakPolarHBondContact O-CG2 3.28Å; G48-V53 PolarHBondContact O-N 2.85Å; G48-V53 VanDerWaalsContact O-N 3.09Å; L51-V53 VanDerWaalsContact C-N 3.32Å; L51-V53 HydrophobicContact CB-CG1 4.37Å; L51-V53 PolarHBondContact O-N 3.02Å; V53-T57 HydrophobicContact CB-CG2 4.16Å; V53-T57 HydrophobicContact CG2-CG2 4.2Å; V53-I58 HydrophobicContact CG2-CG1 4.17Å; V53-L87 HydrophobicContact CG2-CD1 4.26Å; V53-Q96 HydrophobicContact CG1-CB 4.49Å; V53-R98 HydrophobicContact CG1-CG 3.89Å | ||
| 54 | S | 98.2 | Very high | 98.2 | Very high | 36 Ų | 36 | 32.7 Ų | 32.7 | 25% | 0.252 | 16% | 0.161 | S | C | . | . | trans | -65.3 | 157 | -176.4 | 80.1 | 0 | 0 | 0 | 0 | 113.5 | L56 T57 I58 | S54-L56 PolarHBondContact O-N 2.87Å; S54-L56 PolarHBondContact OG-N 2.72Å; S54-T57 WeakPolarHBondContact O-CB 3.44Å; S54-T57 PolarHBondContact O-N 3.47Å; S54-T57 PolarHBondContact OG-N 2.84Å; S54-T57 VanDerWaalsContact OG-N 3.07Å; S54-T57 PolarHBondContact OG-OG1 3.37Å; S54-I58 WeakPolarHBondContact O-CG1 3.42Å; S54-I58 PolarHBondContact O-N 2.73Å; S54-I58 VanDerWaalsContact O-N 3.11Å | ||
| 55 | Q | 97.3 | Very high | 98.2 | Very high | 55 Ų | 55 | 32.7 Ų | 32.7 | 26% | 0.257 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.7 | -27.8 | 172.3 | -171 | 62.1 | 50.9 | 0 | 0 | 112.2 | I58 N59 | Q55-I58 PolarHBondContact O-N 2.84Å; Q55-N59 PolarHBondContact NE2-OD1 3.47Å; Q55-N59 WeakPolarHBondContact O-CB 3.19Å; Q55-N59 PolarHBondContact O-N 2.74Å; Q55-N59 PolarHBondContact O-ND2 3.27Å; Q55-N59 PolarHBondContact O-OD1 3.35Å |
| 56 | L | 97.6 | Very high | 98.2 | Very high | 75 Ų | 75 | 32.1 Ų | 32.1 | 39% | 0.393 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61 | -49.9 | 172 | 174.5 | 61.4 | 0 | 0 | 0 | 110.4 | S54 I58 N59 T60 E94 H151 | S54-L56 PolarHBondContact O-N 2.87Å; S54-L56 PolarHBondContact OG-N 2.72Å; L56-I58 VanDerWaalsContact C-N 3.3Å; L56-I58 PolarHBondContact O-N 3.41Å; L56-N59 WeakPolarHBondContact O-CB 3.22Å; L56-N59 PolarHBondContact O-N 3.05Å; L56-T60 PolarHBondContact O-N 2.99Å; L56-T60 PolarHBondContact O-OG1 3.13Å; L56-E94 WeakPolarHBondContact CD2-OE2 3.34Å; L56-H151 VanDerWaalsContact CD1-CD2 3.42Å; L56-H151 WeakPolarHBondContact CD1-CD2 3.28Å |
| 57 | T | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.3 | -42.1 | 175.4 | -46.4 | 0 | 0 | 0 | 0 | 112.8 | V53 S54 A61 A90 A91 E94 | V53-T57 HydrophobicContact CB-CG2 4.16Å; V53-T57 HydrophobicContact CG2-CG2 4.2Å; S54-T57 WeakPolarHBondContact O-CB 3.44Å; S54-T57 PolarHBondContact O-N 3.47Å; S54-T57 PolarHBondContact OG-N 2.84Å; S54-T57 VanDerWaalsContact OG-N 3.07Å; S54-T57 PolarHBondContact OG-OG1 3.37Å; T57-A61 WeakPolarHBondContact O-CB 3.41Å; T57-A61 PolarHBondContact O-N 3.42Å; T57-A90 HydrophobicContact CG2-CB 4.22Å; T57-A91 HydrophobicContact CG2-CB 4.07Å; T57-E94 HydrophobicContact CG2-CB 4.32Å; T57-E94 HydrophobicContact CG2-CG 4.42Å |
| 58 | I | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.1 | -43.4 | 176 | -67.1 | 171.6 | 0 | 0 | 0 | 110.8 | I44 Q45 V53 S54 Q55 L56 A61 I62 L87 | I44-I58 HydrophobicContact CG2-CG2 4.33Å; Q45-I58 HydrophobicContact CB-CG2 4.15Å; V53-I58 HydrophobicContact CG2-CG1 4.17Å; S54-I58 WeakPolarHBondContact O-CG1 3.42Å; S54-I58 PolarHBondContact O-N 2.73Å; S54-I58 VanDerWaalsContact O-N 3.11Å; Q55-I58 PolarHBondContact O-N 2.84Å; L56-I58 VanDerWaalsContact C-N 3.3Å; L56-I58 PolarHBondContact O-N 3.41Å; I58-A61 PolarHBondContact O-N 3.3Å; I58-I62 HydrophobicContact CG2-CD1 3.96Å; I58-I62 VanDerWaalsContact O-CG1 3.27Å; I58-I62 WeakPolarHBondContact O-CG1 2.98Å; I58-I62 PolarHBondContact O-N 3.34Å; I58-L87 HydrophobicContact CG1-CD1 4.49Å |
| 59 | N | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 177.7 | -66.7 | -7.4 | 0 | 0 | 0 | 111.5 | Q55 L56 I62 V63 H151 H153 L181 | Q55-N59 PolarHBondContact NE2-OD1 3.47Å; Q55-N59 WeakPolarHBondContact O-CB 3.19Å; Q55-N59 PolarHBondContact O-N 2.74Å; Q55-N59 PolarHBondContact O-ND2 3.27Å; Q55-N59 PolarHBondContact O-OD1 3.35Å; L56-N59 WeakPolarHBondContact O-CB 3.22Å; L56-N59 PolarHBondContact O-N 3.05Å; N59-I62 WeakPolarHBondContact O-CB 3.23Å; N59-I62 PolarHBondContact O-N 2.81Å; N59-V63 PolarHBondContact O-N 2.92Å; N59-H151 VanDerWaalsContact C-CE1 3.4Å; N59-H153 PolarHBondContact ND2-CE1 3.26Å; N59-H153 PolarHBondContact ND2-ND1 2.83Å; N59-H153 PolarHBondContact ND2-NE2 2.68Å; N59-L181 HydrophobicContact CB-CD1 3.62Å |
| 60 | T | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 176.3 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | L56 I62 V63 Y64 A90 E94 I149 H151 | L56-T60 PolarHBondContact O-N 2.99Å; L56-T60 PolarHBondContact O-OG1 3.13Å; T60-I62 VanDerWaalsContact C-N 3.3Å; T60-I62 PolarHBondContact O-N 3.44Å; T60-V63 PolarHBondContact O-N 3.19Å; T60-Y64 HydrophobicContact CG2-CD2 4.42Å; T60-Y64 HydrophobicContact CG2-CE1 3.91Å; T60-Y64 HydrophobicContact CG2-CE2 3.82Å; T60-Y64 PolarHBondContact O-N 3.25Å; T60-A90 HydrophobicContact CG2-CB 3.94Å; T60-E94 VanDerWaalsContact CB-OE1 3.31Å; T60-E94 WeakPolarHBondContact CB-OE1 3.49Å; T60-E94 HydrophobicContact CG2-CG 4.44Å; T60-E94 WeakPolarHBondContact CG2-OE1 3.48Å; T60-E94 PolarHBondContact OG1-OE1 3.4Å; T60-I149 HydrophobicContact CG2-CB 4.4Å; T60-I149 HydrophobicContact CG2-CG1 4.06Å; T60-H151 PolarHBondContact N-CE1 3.01Å; T60-H151 PolarHBondContact OG1-NE2 2.99Å |
| 61 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.1 | -37.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I44 T57 I58 Y64 M65 L87 A90 | I44-A61 HydrophobicContact CG2-CB 3.6Å; T57-A61 WeakPolarHBondContact O-CB 3.41Å; T57-A61 PolarHBondContact O-N 3.42Å; I58-A61 PolarHBondContact O-N 3.3Å; A61-Y64 PolarHBondContact O-N 3.12Å; A61-M65 PolarHBondContact O-N 3Å; A61-L87 HydrophobicContact CB-CB 4.17Å; A61-L87 HydrophobicContact CB-CD1 3.93Å; A61-A90 HydrophobicContact CB-CB 3.78Å |
| 62 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.5 | -42.2 | 175.5 | -70.2 | 166.3 | 0 | 0 | 0 | 111.1 | A41 I44 I58 N59 T60 M65 H66 L181 H182 | A41-I62 HydrophobicContact CB-CD1 4.06Å; A41-I62 HydrophobicContact CB-CG1 4.08Å; A41-I62 HydrophobicContact CB-CG2 4.17Å; I44-I62 HydrophobicContact CB-CG1 4.19Å; I44-I62 HydrophobicContact CD1-CG1 4.13Å; I44-I62 HydrophobicContact CG2-CG1 3.96Å; I58-I62 HydrophobicContact CG2-CD1 3.96Å; I58-I62 VanDerWaalsContact O-CG1 3.27Å; I58-I62 WeakPolarHBondContact O-CG1 2.98Å; I58-I62 PolarHBondContact O-N 3.34Å; N59-I62 WeakPolarHBondContact O-CB 3.23Å; N59-I62 PolarHBondContact O-N 2.81Å; T60-I62 VanDerWaalsContact C-N 3.3Å; T60-I62 PolarHBondContact O-N 3.44Å; I62-M65 HydrophobicContact CG2-CE 4.42Å; I62-M65 WeakPolarHBondContact O-CB 3.24Å; I62-M65 PolarHBondContact O-N 3.37Å; I62-H66 PolarHBondContact O-CD2 3.49Å; I62-H66 VanDerWaalsContact O-CD2 3.27Å; I62-H66 PolarHBondContact O-N 3.05Å; I62-L181 HydrophobicContact CG2-CB 4.13Å; I62-L181 VanDerWaalsContact CG2-O 3.25Å; I62-L181 WeakPolarHBondContact CG2-O 3.47Å; I62-H182 WeakPolarHBondContact CD1-NE2 3.42Å |
| 63 | V | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 17.4 Ų | 17.4 | 4% | 0.042 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.1 | -39.5 | 175.6 | 177 | 0 | 0 | 0 | 0 | 111.5 | N59 T60 M65 H66 R67 I149 L181 C187 | N59-V63 PolarHBondContact O-N 2.92Å; T60-V63 PolarHBondContact O-N 3.19Å; V63-M65 PolarHBondContact O-N 3.43Å; V63-H66 PolarHBondContact O-N 3.49Å; V63-R67 HydrophobicContact CG1-CG 4.32Å; V63-R67 WeakPolarHBondContact O-CB 3.46Å; V63-R67 WeakPolarHBondContact O-CG 3.2Å; V63-R67 PolarHBondContact O-N 3.01Å; V63-I149 HydrophobicContact CB-CG2 3.95Å; V63-I149 HydrophobicContact CG1-CD1 3.96Å; V63-I149 HydrophobicContact CG1-CG1 4.31Å; V63-I149 HydrophobicContact CG1-CG2 3.77Å; V63-I149 HydrophobicContact CG2-CG2 4.03Å; V63-L181 HydrophobicContact CG2-CD2 3.85Å; V63-C187 HydrophobicContact CG2-CB 4.32Å |
| 64 | Y | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 171.5 | -67 | -17.2 | 0 | 0 | 0 | 112 | T60 A61 H66 R67 F68 L89 A90 L143 I147 I149 | T60-Y64 HydrophobicContact CG2-CD2 4.42Å; T60-Y64 HydrophobicContact CG2-CE1 3.91Å; T60-Y64 HydrophobicContact CG2-CE2 3.82Å; T60-Y64 PolarHBondContact O-N 3.25Å; A61-Y64 PolarHBondContact O-N 3.12Å; Y64-H66 PolarHBondContact O-N 2.69Å; Y64-R67 PolarHBondContact O-N 3.48Å; Y64-F68 WeakPolarHBondContact O-CB 3.43Å; Y64-F68 PolarHBondContact O-N 3.12Å; Y64-L89 HydrophobicContact CD2-CD2 4.16Å; Y64-L89 HydrophobicContact CD2-CG 4.38Å; Y64-L89 HydrophobicContact CE2-CB 4.42Å; Y64-L89 HydrophobicContact CE2-CD2 3.96Å; Y64-L89 HydrophobicContact CE2-CG 3.87Å; Y64-A90 HydrophobicContact CD2-CB 4.18Å; Y64-A90 HydrophobicContact CE2-CB 3.86Å; Y64-L143 HydrophobicContact CD1-CD1 3.53Å; Y64-L143 HydrophobicContact CD1-CD2 4.42Å; Y64-L143 HydrophobicContact CD2-CD1 4.43Å; Y64-L143 HydrophobicContact CE1-CD1 3.93Å; Y64-L143 HydrophobicContact CG-CD1 3.82Å; Y64-I147 PolarHBondContact OH-O 3.01Å; Y64-I149 HydrophobicContact CD1-CD1 4.25Å; Y64-I149 HydrophobicContact CD1-CG1 4.12Å; Y64-I149 HydrophobicContact CE1-CD1 3.96Å; Y64-I149 HydrophobicContact CE1-CG1 3.62Å |
| 65 | M | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 175.4 | 178.4 | -77 | -62.9 | 0 | 0 | 111.2 | R37 A40 A41 I44 A61 I62 V63 R67 F68 Y69 T86 | R37-M65 HydrophobicContact CB-CE 4.33Å; R37-M65 HydrophobicContact CB-SD 4.4Å; R37-M65 HydrophobicContact CG-SD 4.32Å; R37-M65 WeakPolarHBondContact O-CE 3.42Å; A40-M65 HydrophobicContact CB-CE 4.06Å; A40-M65 HydrophobicContact CB-CG 3.91Å; A40-M65 HydrophobicContact CB-SD 3.91Å; A41-M65 HydrophobicContact CB-CE 4.4Å; I44-M65 HydrophobicContact CD1-CB 3.93Å; I44-M65 HydrophobicContact CD1-CG 4.22Å; A61-M65 PolarHBondContact O-N 3Å; I62-M65 HydrophobicContact CG2-CE 4.42Å; I62-M65 WeakPolarHBondContact O-CB 3.24Å; I62-M65 PolarHBondContact O-N 3.37Å; V63-M65 PolarHBondContact O-N 3.43Å; M65-R67 PolarHBondContact O-N 3.45Å; M65-F68 PolarHBondContact O-N 3.1Å; M65-Y69 HydrophobicContact CG-CD2 4.01Å; M65-Y69 HydrophobicContact CG-CE2 3.97Å; M65-Y69 VanDerWaalsContact O-CD2 3.25Å; M65-Y69 WeakPolarHBondContact O-CD2 3.47Å; M65-Y69 PolarHBondContact O-N 3.09Å; M65-Y69 HydrophobicContact SD-CD2 3.81Å; M65-Y69 HydrophobicContact SD-CE2 4.19Å; M65-T86 HydrophobicContact CB-CG2 4.48Å |
| 66 | H | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.009 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 177.8 | -89.1 | -80.9 | 0 | 0 | 0 | 112.8 | R37 I62 V63 Y64 L181 T184 L188 | R37-H66 PolarHBondContact NH1-O 3.05Å; I62-H66 PolarHBondContact O-CD2 3.49Å; I62-H66 VanDerWaalsContact O-CD2 3.27Å; I62-H66 PolarHBondContact O-N 3.05Å; V63-H66 PolarHBondContact O-N 3.49Å; Y64-H66 PolarHBondContact O-N 2.69Å; H66-L181 PolarHBondContact NE2-O 2.87Å; H66-L181 VanDerWaalsContact NE2-O 3.17Å; H66-T184 PolarHBondContact CE1-O 2.68Å; H66-L188 HydrophobicContact CB-CD1 3.93Å; H66-L188 HydrophobicContact CB-CD2 4.12Å; H66-L188 HydrophobicContact CB-CG 4.05Å |
| 67 | R | 98.1 | Very high | 97.9 | Very high | 19 Ų | 19 | 22.6 Ų | 22.6 | 7% | 0.072 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.3 | -41.5 | 178.6 | -74 | 178.4 | 169.9 | -156 | -10.2 | 112.2 | W11 V63 Y64 M65 Y69 M70 L143 E146 L188 | W11-R67 HydrophobicContact CB-CG 4.45Å; W11-R67 VanDerWaalsContact CD1-NH2 3.34Å; W11-R67 HydrophobicContact CD2-CB 4.39Å; W11-R67 HydrophobicContact CD2-CG 3.98Å; W11-R67 HydrophobicContact CE3-CB 3.76Å; W11-R67 HydrophobicContact CE3-CG 3.69Å; W11-R67 HydrophobicContact CG-CG 4.31Å; W11-R67 VanDerWaalsContact CG-CZ 3.44Å; W11-R67 HydrophobicContact CH2-CB 4.46Å; W11-R67 HydrophobicContact CZ3-CB 3.8Å; W11-R67 HydrophobicContact CZ3-CG 4.26Å; V63-R67 HydrophobicContact CG1-CG 4.32Å; V63-R67 WeakPolarHBondContact O-CB 3.46Å; V63-R67 WeakPolarHBondContact O-CG 3.2Å; V63-R67 PolarHBondContact O-N 3.01Å; Y64-R67 PolarHBondContact O-N 3.48Å; M65-R67 PolarHBondContact O-N 3.45Å; R67-Y69 PolarHBondContact O-N 3.44Å; R67-M70 WeakPolarHBondContact O-CB 3.38Å; R67-M70 PolarHBondContact O-N 2.88Å; R67-M70 VanDerWaalsContact O-N 3.08Å; R67-L143 HydrophobicContact CB-CD2 3.63Å; R67-L143 HydrophobicContact CG-CD2 4.46Å; R67-E146 IonicContact CZ-OE1 2.66Å; R67-E146 VanDerWaalsContact CZ-OE1 3.24Å; R67-E146 IonicContact NH1-OE1 3.28Å; R67-E146 PolarHBondContact NH1-OE1 2.95Å; R67-E146 IonicContact NH2-OE1 3.74Å; R67-E146 PolarHBondContact NH2-OE1 2.94Å; R67-L188 HydrophobicContact CG-CD2 3.92Å |
| 68 | F | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.6 | -47.2 | 178.1 | -179.4 | -90.9 | 0 | 0 | 0 | 111.9 | Y64 M65 M70 Q71 H72 F77 I82 I138 V139 T142 | Y64-F68 WeakPolarHBondContact O-CB 3.43Å; Y64-F68 PolarHBondContact O-N 3.12Å; M65-F68 PolarHBondContact O-N 3.1Å; F68-M70 PolarHBondContact O-N 2.81Å; F68-Q71 PolarHBondContact O-N 2.85Å; F68-H72 HydrophobicContact CD1-CB 4.14Å; F68-H72 AromaticContact CD2-CD2 3.72Å; F68-H72 HydrophobicContact CE1-CB 3.67Å; F68-H72 AromaticContact CE1-CD2 3.77Å; F68-H72 AromaticContact CE1-CG 3.95Å; F68-H72 AromaticContact CE2-CD2 3.33Å; F68-H72 WeakPolarHBondContact CE2-CD2 3.48Å; F68-H72 AromaticContact CE2-NE2 3.87Å; F68-H72 HydrophobicContact CZ-CB 4.02Å; F68-H72 AromaticContact CZ-CD2 3.35Å; F68-H72 WeakPolarHBondContact CZ-CD2 3.47Å; F68-H72 AromaticContact CZ-CG 3.78Å; F68-H72 PolarHBondContact O-N 2.76Å; F68-F77 HydrophobicContact CE1-CB 3.83Å; F68-F77 HydrophobicContact CE1-CD2 4.28Å; F68-F77 HydrophobicContact CE1-CG 4.02Å; F68-F77 HydrophobicContact CZ-CB 4.16Å; F68-F77 HydrophobicContact CZ-CD1 4.13Å; F68-F77 HydrophobicContact CZ-CD2 4.07Å; F68-F77 HydrophobicContact CZ-CE2 4.48Å; F68-F77 AromaticContact CZ-CG 3.86Å; F68-F77 HydrophobicContact CZ-CG 3.86Å; F68-I82 HydrophobicContact CD1-CD1 4.46Å; F68-I82 HydrophobicContact CD1-CG1 4.34Å; F68-I82 HydrophobicContact CD1-CG2 4Å; F68-I82 HydrophobicContact CE1-CD1 3.67Å; F68-I82 HydrophobicContact CE1-CG1 3.76Å; F68-I82 HydrophobicContact CE1-CG2 4.25Å; F68-I82 HydrophobicContact CE2-CD1 4.3Å; F68-I82 HydrophobicContact CG-CG2 4.42Å; F68-I82 HydrophobicContact CZ-CD1 3.57Å; F68-I82 HydrophobicContact CZ-CG1 4.21Å; F68-I138 HydrophobicContact CE2-CG2 4.22Å; F68-V139 HydrophobicContact CD2-CB 4.4Å; F68-V139 HydrophobicContact CD2-CG2 3.76Å; F68-V139 HydrophobicContact CE2-CG2 3.76Å; F68-T142 HydrophobicContact CD2-CG2 3.93Å; F68-T142 HydrophobicContact CE2-CG2 4.47Å |
| 69 | Y | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 8.7 | 177.9 | -69.6 | -64.7 | 0 | 0 | 0 | 114.8 | R37 M65 R67 H72 F74 F77 R79 I82 | R37-Y69 PolarHBondContact NH2-O 2.88Å; M65-Y69 HydrophobicContact CG-CD2 4.01Å; M65-Y69 HydrophobicContact CG-CE2 3.97Å; M65-Y69 VanDerWaalsContact O-CD2 3.25Å; M65-Y69 WeakPolarHBondContact O-CD2 3.47Å; M65-Y69 PolarHBondContact O-N 3.09Å; M65-Y69 HydrophobicContact SD-CD2 3.81Å; M65-Y69 HydrophobicContact SD-CE2 4.19Å; R67-Y69 PolarHBondContact O-N 3.44Å; Y69-H72 WeakPolarHBondContact CA-O 3.42Å; Y69-F74 AromaticContact CD1-CD1 3.99Å; Y69-F74 HydrophobicContact CD1-CD1 3.99Å; Y69-F74 AromaticContact CD1-CD2 3.88Å; Y69-F74 HydrophobicContact CD1-CD2 3.88Å; Y69-F74 HydrophobicContact CD1-CE1 4.04Å; Y69-F74 AromaticContact CD1-CE2 3.92Å; Y69-F74 HydrophobicContact CD1-CE2 3.92Å; Y69-F74 AromaticContact CD1-CG 3.91Å; Y69-F74 HydrophobicContact CD1-CG 3.91Å; Y69-F74 HydrophobicContact CD1-CZ 4Å; Y69-F74 HydrophobicContact CD2-CD1 4.32Å; Y69-F74 AromaticContact CD2-CE1 3.57Å; Y69-F74 HydrophobicContact CD2-CE1 3.57Å; Y69-F74 AromaticContact CD2-CE2 3.97Å; Y69-F74 HydrophobicContact CD2-CE2 3.97Å; Y69-F74 AromaticContact CD2-CZ 3.36Å; Y69-F74 HydrophobicContact CD2-CZ 3.36Å; Y69-F74 HydrophobicContact CE1-CB 4.35Å; Y69-F74 AromaticContact CE1-CD1 3.52Å; Y69-F74 HydrophobicContact CE1-CD1 3.52Å; Y69-F74 HydrophobicContact CE1-CD2 4.22Å; Y69-F74 AromaticContact CE1-CE1 3.77Å; Y69-F74 HydrophobicContact CE1-CE1 3.77Å; Y69-F74 HydrophobicContact CE1-CE2 4.43Å; Y69-F74 AromaticContact CE1-CG 3.76Å; Y69-F74 HydrophobicContact CE1-CG 3.76Å; Y69-F74 HydrophobicContact CE1-CZ 4.22Å; Y69-F74 AromaticContact CE2-CD1 3.88Å; Y69-F74 HydrophobicContact CE2-CD1 3.88Å; Y69-F74 AromaticContact CE2-CE1 3.25Å; Y69-F74 HydrophobicContact CE2-CE1 3.25Å; Y69-F74 HydrophobicContact CE2-CE2 4.47Å; Y69-F74 AromaticContact CE2-CZ 3.61Å; Y69-F74 HydrophobicContact CE2-CZ 3.61Å; Y69-F74 HydrophobicContact CG-CD1 4.36Å; Y69-F74 HydrophobicContact CG-CD2 4.12Å; Y69-F74 AromaticContact CG-CE1 3.94Å; Y69-F74 HydrophobicContact CG-CE1 3.94Å; Y69-F74 AromaticContact CG-CE2 3.67Å; Y69-F74 HydrophobicContact CG-CE2 3.67Å; Y69-F74 HydrophobicContact CG-CG 4.45Å; Y69-F74 AromaticContact CG-CZ 3.57Å; Y69-F74 HydrophobicContact CG-CZ 3.57Å; Y69-F74 AromaticContact CZ-CD1 3.43Å; Y69-F74 VanDerWaalsContact CZ-CD1 3.43Å; Y69-F74 AromaticContact CZ-CE1 3.35Å; Y69-F77 HydrophobicContact CE1-CB 4.38Å; Y69-F77 VanDerWaalsContact CE1-O 3.31Å; Y69-F77 WeakPolarHBondContact CE1-O 3.38Å; Y69-F77 PolarHBondContact OH-O 3.47Å; Y69-R79 WeakPolarHBondContact OH-CA 3.5Å; Y69-R79 PolarHBondContact OH-N 3.29Å; Y69-I82 HydrophobicContact CE2-CB 4.33Å; Y69-I82 HydrophobicContact CE2-CG2 4.02Å; Y69-I82 WeakPolarHBondContact OH-CG1 3.43Å |
| 70 | M | 97.3 | Very high | 97.6 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 6% | 0.064 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -17.2 | 160.5 | -66.8 | -53.5 | -65.8 | 0 | 0 | 112.9 | F13 L18 T21 P22 R67 F68 L188 | F13-M70 HydrophobicContact CB-CE 4.27Å; F13-M70 HydrophobicContact CD1-CE 3.98Å; F13-M70 HydrophobicContact CD2-CE 3.99Å; F13-M70 HydrophobicContact CD2-CG 4.16Å; F13-M70 HydrophobicContact CE1-CE 4.32Å; F13-M70 HydrophobicContact CE2-CB 4.07Å; F13-M70 HydrophobicContact CE2-CE 4.33Å; F13-M70 HydrophobicContact CE2-CG 3.79Å; F13-M70 HydrophobicContact CG-CE 3.81Å; F13-M70 HydrophobicContact CZ-CB 3.97Å; F13-M70 HydrophobicContact CZ-CE 4.48Å; F13-M70 HydrophobicContact CZ-CG 4.19Å; L18-M70 HydrophobicContact CD2-CE 3.7Å; L18-M70 HydrophobicContact CD2-SD 3.54Å; L18-M70 VanDerWaalsContact CD2-SD 3.54Å; L18-M70 HydrophobicContact CG-CE 4.23Å; T21-M70 HydrophobicContact CG2-SD 4.45Å; P22-M70 VanDerWaalsContact CD-O 3.31Å; P22-M70 WeakPolarHBondContact CD-O 3.38Å; P22-M70 WeakPolarHBondContact CG-O 3.35Å; R67-M70 WeakPolarHBondContact O-CB 3.38Å; R67-M70 PolarHBondContact O-N 2.88Å; R67-M70 VanDerWaalsContact O-N 3.08Å; F68-M70 PolarHBondContact O-N 2.81Å; M70-L188 HydrophobicContact CG-CD1 3.75Å; M70-L188 HydrophobicContact CG-CD2 4.07Å; M70-L188 HydrophobicContact CG-CG 4.46Å; M70-L188 HydrophobicContact SD-CD1 3.9Å |
| 71 | Q | 96.6 | Very high | 97.6 | Very high | 96 Ų | 96 | 32.7 Ų | 32.7 | 45% | 0.449 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -32.8 | 176.6 | -53.5 | -57.7 | -19.7 | 0 | 0 | 112.2 | W11 P22 F68 T142 | W11-Q71 HydrophobicContact CH2-CG 4.47Å; W11-Q71 HydrophobicContact CZ3-CG 4.34Å; P22-Q71 VanDerWaalsContact CG-C 3.46Å; P22-Q71 WeakPolarHBondContact CG-O 3.19Å; F68-Q71 PolarHBondContact O-N 2.85Å; Q71-T142 HydrophobicContact CB-CG2 3.72Å; Q71-T142 HydrophobicContact CG-CG2 3.84Å |
| 72 | H | 97.6 | Very high | 97.6 | Very high | 42 Ų | 42 | 32.7 Ų | 32.7 | 19% | 0.194 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -112.8 | 157.1 | -178.2 | -64.3 | -65.2 | 0 | 0 | 0 | 113.9 | F68 Y69 F77 T142 | F68-H72 HydrophobicContact CD1-CB 4.14Å; F68-H72 AromaticContact CD2-CD2 3.72Å; F68-H72 HydrophobicContact CE1-CB 3.67Å; F68-H72 AromaticContact CE1-CD2 3.77Å; F68-H72 AromaticContact CE1-CG 3.95Å; F68-H72 AromaticContact CE2-CD2 3.33Å; F68-H72 WeakPolarHBondContact CE2-CD2 3.48Å; F68-H72 AromaticContact CE2-NE2 3.87Å; F68-H72 HydrophobicContact CZ-CB 4.02Å; F68-H72 AromaticContact CZ-CD2 3.35Å; F68-H72 WeakPolarHBondContact CZ-CD2 3.47Å; F68-H72 AromaticContact CZ-CG 3.78Å; F68-H72 PolarHBondContact O-N 2.76Å; Y69-H72 WeakPolarHBondContact CA-O 3.42Å; H72-F77 HydrophobicContact CB-CD2 3.83Å; H72-F77 HydrophobicContact CB-CE2 4.3Å; H72-F77 AromaticContact CG-CD2 3.9Å; H72-F77 AromaticContact CG-CE2 3.88Å; H72-F77 AromaticContact ND1-CD2 3.94Å; H72-F77 AromaticContact ND1-CE2 3.49Å; H72-F77 WeakPolarHBondContact ND1-CE2 3.25Å; H72-T142 PolarHBondContact NE2-OG1 2.82Å |
| 73 | S | 97.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | trans | -92.3 | 140.8 | 175 | 176.1 | 0 | 0 | 0 | 0 | 112 | S23 T75 K76 F77 | S23-S73 WeakPolarHBondContact OG-CA 3.34Å; S73-T75 PolarHBondContact O-N 3.43Å; S73-T75 PolarHBondContact OG-N 3.05Å; S73-T75 PolarHBondContact OG-OG1 3.12Å; S73-K76 PolarHBondContact O-N 2.7Å; S73-F77 PolarHBondContact O-N 3.47Å | ||
| 74 | F | 97.3 | Very high | 97.5 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.8 | 166.5 | -77.9 | -78.3 | 0 | 0 | 0 | 113.8 | S23 L28 E33 Y36 R37 Y69 R79 | S23-F74 WeakPolarHBondContact OG-CD2 3.45Å; S23-F74 PolarHBondContact OG-N 3.23Å; S23-F74 VanDerWaalsContact OG-N 3.1Å; L28-F74 HydrophobicContact CD2-CB 4.07Å; L28-F74 HydrophobicContact CD2-CD2 4.17Å; L28-F74 HydrophobicContact CD2-CG 4.48Å; E33-F74 HydrophobicContact CG-CD2 3.79Å; E33-F74 HydrophobicContact CG-CE2 3.68Å; Y36-F74 HydrophobicContact CD2-CB 3.93Å; Y36-F74 HydrophobicContact CD2-CD1 4.16Å; Y36-F74 HydrophobicContact CD2-CD2 4.46Å; Y36-F74 AromaticContact CD2-CG 3.95Å; Y36-F74 HydrophobicContact CD2-CG 3.95Å; R37-F74 HydrophobicContact CB-CZ 4.48Å; R37-F74 HydrophobicContact CG-CE2 3.77Å; R37-F74 HydrophobicContact CG-CZ 3.59Å; Y69-F74 AromaticContact CD1-CD1 3.99Å; Y69-F74 HydrophobicContact CD1-CD1 3.99Å; Y69-F74 AromaticContact CD1-CD2 3.88Å; Y69-F74 HydrophobicContact CD1-CD2 3.88Å; Y69-F74 HydrophobicContact CD1-CE1 4.04Å; Y69-F74 AromaticContact CD1-CE2 3.92Å; Y69-F74 HydrophobicContact CD1-CE2 3.92Å; Y69-F74 AromaticContact CD1-CG 3.91Å; Y69-F74 HydrophobicContact CD1-CG 3.91Å; Y69-F74 HydrophobicContact CD1-CZ 4Å; Y69-F74 HydrophobicContact CD2-CD1 4.32Å; Y69-F74 AromaticContact CD2-CE1 3.57Å; Y69-F74 HydrophobicContact CD2-CE1 3.57Å; Y69-F74 AromaticContact CD2-CE2 3.97Å; Y69-F74 HydrophobicContact CD2-CE2 3.97Å; Y69-F74 AromaticContact CD2-CZ 3.36Å; Y69-F74 HydrophobicContact CD2-CZ 3.36Å; Y69-F74 HydrophobicContact CE1-CB 4.35Å; Y69-F74 AromaticContact CE1-CD1 3.52Å; Y69-F74 HydrophobicContact CE1-CD1 3.52Å; Y69-F74 HydrophobicContact CE1-CD2 4.22Å; Y69-F74 AromaticContact CE1-CE1 3.77Å; Y69-F74 HydrophobicContact CE1-CE1 3.77Å; Y69-F74 HydrophobicContact CE1-CE2 4.43Å; Y69-F74 AromaticContact CE1-CG 3.76Å; Y69-F74 HydrophobicContact CE1-CG 3.76Å; Y69-F74 HydrophobicContact CE1-CZ 4.22Å; Y69-F74 AromaticContact CE2-CD1 3.88Å; Y69-F74 HydrophobicContact CE2-CD1 3.88Å; Y69-F74 AromaticContact CE2-CE1 3.25Å; Y69-F74 HydrophobicContact CE2-CE1 3.25Å; Y69-F74 HydrophobicContact CE2-CE2 4.47Å; Y69-F74 AromaticContact CE2-CZ 3.61Å; Y69-F74 HydrophobicContact CE2-CZ 3.61Å; Y69-F74 HydrophobicContact CG-CD1 4.36Å; Y69-F74 HydrophobicContact CG-CD2 4.12Å; Y69-F74 AromaticContact CG-CE1 3.94Å; Y69-F74 HydrophobicContact CG-CE1 3.94Å; Y69-F74 AromaticContact CG-CE2 3.67Å; Y69-F74 HydrophobicContact CG-CE2 3.67Å; Y69-F74 HydrophobicContact CG-CG 4.45Å; Y69-F74 AromaticContact CG-CZ 3.57Å; Y69-F74 HydrophobicContact CG-CZ 3.57Å; Y69-F74 AromaticContact CZ-CD1 3.43Å; Y69-F74 VanDerWaalsContact CZ-CD1 3.43Å; Y69-F74 AromaticContact CZ-CE1 3.35Å; F74-R79 HydrophobicContact CD1-CB 4.19Å; F74-R79 HydrophobicContact CE1-CB 3.97Å |
| 75 | T | 95.1 | Very high | 97.5 | Very high | 83 Ų | 83 | 32.9 Ų | 32.9 | 51% | 0.509 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -19.6 | 174.6 | 65.4 | 0 | 0 | 0 | 0 | 113.2 | C26 S73 | C26-T75 HydrophobicContact CB-CG2 4.16Å; C26-T75 WeakPolarHBondContact CB-OG1 3.44Å; S73-T75 PolarHBondContact O-N 3.43Å; S73-T75 PolarHBondContact OG-N 3.05Å; S73-T75 PolarHBondContact OG-OG1 3.12Å |
| 76 | K | 95.6 | Very high | 97.5 | Very high | 160 Ų | 160 | 32.9 Ų | 32.9 | 70% | 0.696 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -42.6 | 175.9 | -67 | -169.6 | 176.4 | -169.7 | 0 | 112.1 | S73 | S73-K76 PolarHBondContact O-N 2.7Š|
| 77 | F | 97.6 | Very high | 97.6 | Very high | 39 Ų | 39 | 32.9 Ų | 32.9 | 17% | 0.171 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -119.9 | 105.1 | -178.4 | -69.6 | -83.9 | 0 | 0 | 0 | 109.9 | F68 Y69 H72 S73 I82 L135 I138 | F68-F77 HydrophobicContact CE1-CB 3.83Å; F68-F77 HydrophobicContact CE1-CD2 4.28Å; F68-F77 HydrophobicContact CE1-CG 4.02Å; F68-F77 HydrophobicContact CZ-CB 4.16Å; F68-F77 HydrophobicContact CZ-CD1 4.13Å; F68-F77 HydrophobicContact CZ-CD2 4.07Å; F68-F77 HydrophobicContact CZ-CE2 4.48Å; F68-F77 AromaticContact CZ-CG 3.86Å; F68-F77 HydrophobicContact CZ-CG 3.86Å; Y69-F77 HydrophobicContact CE1-CB 4.38Å; Y69-F77 VanDerWaalsContact CE1-O 3.31Å; Y69-F77 WeakPolarHBondContact CE1-O 3.38Å; Y69-F77 PolarHBondContact OH-O 3.47Å; H72-F77 HydrophobicContact CB-CD2 3.83Å; H72-F77 HydrophobicContact CB-CE2 4.3Å; H72-F77 AromaticContact CG-CD2 3.9Å; H72-F77 AromaticContact CG-CE2 3.88Å; H72-F77 AromaticContact ND1-CD2 3.94Å; H72-F77 AromaticContact ND1-CE2 3.49Å; H72-F77 WeakPolarHBondContact ND1-CE2 3.25Å; S73-F77 PolarHBondContact O-N 3.47Å; F77-I82 HydrophobicContact CB-CD1 4.04Å; F77-I82 HydrophobicContact CB-CG1 3.86Å; F77-I82 HydrophobicContact CD1-CD1 4.06Å; F77-I82 HydrophobicContact CG-CD1 4.37Å; F77-L135 HydrophobicContact CD1-CD2 3.77Å; F77-L135 HydrophobicContact CE1-CD2 3.75Å; F77-I138 HydrophobicContact CE1-CD1 4.3Å; F77-I138 HydrophobicContact CE1-CG2 4.43Å; F77-I138 HydrophobicContact CZ-CG2 4.22Å |
| 78 | H | 97.3 | Very high | 97.6 | Very high | 81 Ų | 81 | 32.9 Ų | 32.9 | 38% | 0.375 | 16% | 0.159 | S | C | . | . | trans | -71.4 | 144 | -173.7 | -167.9 | -114.8 | 0 | 0 | 0 | 112.6 | N80 I81 I82 | H78-N80 VanDerWaalsContact CE1-CG 3.42Å; H78-N80 PolarHBondContact CE1-OD1 3.07Å; H78-N80 PolarHBondContact O-N 3.2Å; H78-N80 VanDerWaalsContact O-N 3.09Å; H78-I81 HydrophobicContact CB-CG1 4.36Å; H78-I81 WeakPolarHBondContact O-CG1 3.33Å; H78-I81 PolarHBondContact O-N 3.49Å; H78-I81 VanDerWaalsContact O-N 3.1Å; H78-I82 PolarHBondContact O-N 3.29Å | ||
| 79 | R | 96.6 | Very high | 97.6 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 12% | 0.121 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.2 | -29.1 | -174.9 | 66 | -173.6 | 168.2 | -71.3 | -0.1 | 113.9 | Y36 Q39 A40 Y69 F74 I81 S83 | Y36-R79 WeakPolarHBondContact O-CD 3.33Å; Q39-R79 VanDerWaalsContact OE1-CZ 3.31Å; Q39-R79 VanDerWaalsContact OE1-NE 3.12Å; A40-R79 HydrophobicContact CB-CB 4.08Å; Y69-R79 WeakPolarHBondContact OH-CA 3.5Å; Y69-R79 PolarHBondContact OH-N 3.29Å; F74-R79 HydrophobicContact CD1-CB 4.19Å; F74-R79 HydrophobicContact CE1-CB 3.97Å; R79-I81 VanDerWaalsContact C-N 3.32Å; R79-I81 PolarHBondContact O-N 3.31Å; R79-S83 VanDerWaalsContact O-CB 3.24Å; R79-S83 WeakPolarHBondContact O-CB 3.43Å; R79-S83 PolarHBondContact O-N 3.02Å; R79-S83 PolarHBondContact O-OG 2.99Å |
| 80 | N | 97 | Very high | 97.6 | Very high | 55 Ų | 55 | 33.2 Ų | 33.2 | 29% | 0.294 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -70.7 | -23.8 | -178.9 | -62.6 | 11.2 | 0 | 0 | 0 | 113.5 | H78 P84 L111 | H78-N80 VanDerWaalsContact CE1-CG 3.42Å; H78-N80 PolarHBondContact CE1-OD1 3.07Å; H78-N80 PolarHBondContact O-N 3.2Å; H78-N80 VanDerWaalsContact O-N 3.09Å; N80-P84 WeakPolarHBondContact O-CD 3.46Å; N80-P84 WeakPolarHBondContact O-CG 3.47Å; N80-L111 HydrophobicContact CB-CD1 3.89Å; N80-L111 HydrophobicContact CB-CD2 3.93Å; N80-L111 WeakPolarHBondContact ND2-CD2 3.49Å |
| 81 | I | 97.1 | Very high | 97.7 | Very high | 48 Ų | 48 | 32.7 Ų | 32.7 | 25% | 0.246 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -97.3 | -31 | 176.9 | 56.4 | 172.1 | 0 | 0 | 0 | 112.3 | H78 R79 P84 T85 E131 L135 | H78-I81 HydrophobicContact CB-CG1 4.36Å; H78-I81 WeakPolarHBondContact O-CG1 3.33Å; H78-I81 PolarHBondContact O-N 3.49Å; H78-I81 VanDerWaalsContact O-N 3.1Å; R79-I81 VanDerWaalsContact C-N 3.32Å; R79-I81 PolarHBondContact O-N 3.31Å; I81-P84 WeakPolarHBondContact O-CD 3.21Å; I81-P84 WeakPolarHBondContact O-CG 3.44Å; I81-T85 WeakPolarHBondContact O-CB 3.48Å; I81-T85 PolarHBondContact O-OG1 3.46Å; I81-E131 WeakPolarHBondContact CD1-OE1 3.24Å; I81-L135 HydrophobicContact CB-CD1 3.82Å; I81-L135 HydrophobicContact CD1-CD1 4.03Å; I81-L135 HydrophobicContact CG1-CD1 4.12Å |
| 82 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.4 | -40.4 | 175.2 | -62.1 | -55.4 | 0 | 0 | 0 | 111.9 | F68 Y69 F77 H78 T85 T86 L135 | F68-I82 HydrophobicContact CD1-CD1 4.46Å; F68-I82 HydrophobicContact CD1-CG1 4.34Å; F68-I82 HydrophobicContact CD1-CG2 4Å; F68-I82 HydrophobicContact CE1-CD1 3.67Å; F68-I82 HydrophobicContact CE1-CG1 3.76Å; F68-I82 HydrophobicContact CE1-CG2 4.25Å; F68-I82 HydrophobicContact CE2-CD1 4.3Å; F68-I82 HydrophobicContact CG-CG2 4.42Å; F68-I82 HydrophobicContact CZ-CD1 3.57Å; F68-I82 HydrophobicContact CZ-CG1 4.21Å; Y69-I82 HydrophobicContact CE2-CB 4.33Å; Y69-I82 HydrophobicContact CE2-CG2 4.02Å; Y69-I82 WeakPolarHBondContact OH-CG1 3.43Å; F77-I82 HydrophobicContact CB-CD1 4.04Å; F77-I82 HydrophobicContact CB-CG1 3.86Å; F77-I82 HydrophobicContact CD1-CD1 4.06Å; F77-I82 HydrophobicContact CG-CD1 4.37Å; H78-I82 PolarHBondContact O-N 3.29Å; I82-T85 WeakPolarHBondContact O-CB 3.44Å; I82-T85 PolarHBondContact O-N 3.31Å; I82-T85 VanDerWaalsContact O-N 3.13Å; I82-T86 HydrophobicContact CG2-CG2 3.86Å; I82-T86 PolarHBondContact O-N 2.92Å; I82-T86 PolarHBondContact O-OG1 3.22Å; I82-T86 VanDerWaalsContact O-OG1 3.09Å; I82-L135 HydrophobicContact CD1-CD2 4.11Å |
| 83 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54.4 | -51.6 | 179.3 | -60.7 | 0 | 0 | 0 | 0 | 114.9 | R79 T85 T86 L87 | R79-S83 VanDerWaalsContact O-CB 3.24Å; R79-S83 WeakPolarHBondContact O-CB 3.43Å; R79-S83 PolarHBondContact O-N 3.02Å; R79-S83 PolarHBondContact O-OG 2.99Å; S83-T85 VanDerWaalsContact C-N 3.31Å; S83-T85 PolarHBondContact O-N 3.47Å; S83-T86 PolarHBondContact O-OG1 3.27Å; S83-L87 WeakPolarHBondContact O-CB 3.46Å; S83-L87 PolarHBondContact O-N 3.15Å |
| 84 | P | 98.5 | Very high | 97.8 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 7% | 0.065 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.7 | -34.4 | 175.8 | 26.6 | -35.6 | 0 | 0 | 0 | 112.2 | M47 N80 I81 L87 F88 V103 A107 L132 | M47-P84 HydrophobicContact CE-CB 3.8Å; M47-P84 HydrophobicContact SD-CB 3.97Å; N80-P84 WeakPolarHBondContact O-CD 3.46Å; N80-P84 WeakPolarHBondContact O-CG 3.47Å; I81-P84 WeakPolarHBondContact O-CD 3.21Å; I81-P84 WeakPolarHBondContact O-CG 3.44Å; P84-L87 PolarHBondContact O-N 2.67Å; P84-F88 WeakPolarHBondContact O-CB 3.28Å; P84-F88 PolarHBondContact O-N 2.94Å; P84-V103 HydrophobicContact CB-CG1 4.14Å; P84-A107 HydrophobicContact CB-CB 4.01Å; P84-A107 HydrophobicContact CG-CB 4.41Å; P84-L132 HydrophobicContact CB-CD1 4.35Å |
| 85 | T | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.6 | -50.3 | 178.6 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | I81 I82 S83 L87 F88 L89 L132 L135 E136 V139 | I81-T85 WeakPolarHBondContact O-CB 3.48Å; I81-T85 PolarHBondContact O-OG1 3.46Å; I82-T85 WeakPolarHBondContact O-CB 3.44Å; I82-T85 PolarHBondContact O-N 3.31Å; I82-T85 VanDerWaalsContact O-N 3.13Å; S83-T85 VanDerWaalsContact C-N 3.31Å; S83-T85 PolarHBondContact O-N 3.47Å; T85-L87 VanDerWaalsContact C-N 3.26Å; T85-L87 PolarHBondContact O-N 2.92Å; T85-F88 PolarHBondContact O-N 2.99Å; T85-L89 PolarHBondContact O-N 3.49Å; T85-L132 HydrophobicContact CG2-CD2 4.47Å; T85-L135 HydrophobicContact CG2-CB 3.73Å; T85-E136 HydrophobicContact CG2-CB 4.07Å; T85-E136 VanDerWaalsContact CG2-N 3.33Å; T85-V139 HydrophobicContact CG2-CG2 4.03Å |
| 86 | T | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.7 | -32.1 | 178.6 | 50.1 | 0 | 0 | 0 | 0 | 112 | M65 I82 S83 A90 V139 | M65-T86 HydrophobicContact CB-CG2 4.48Å; I82-T86 HydrophobicContact CG2-CG2 3.86Å; I82-T86 PolarHBondContact O-N 2.92Å; I82-T86 PolarHBondContact O-OG1 3.22Å; I82-T86 VanDerWaalsContact O-OG1 3.09Å; S83-T86 PolarHBondContact O-OG1 3.27Å; T86-A90 VanDerWaalsContact O-CB 3.28Å; T86-A90 WeakPolarHBondContact O-CB 3.36Å; T86-A90 PolarHBondContact O-N 3.5Å; T86-V139 HydrophobicContact CG2-CG1 4.23Å; T86-V139 HydrophobicContact CG2-CG2 4.36Å |
| 87 | L | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73.8 | -38.5 | 175.5 | -174.8 | 59.6 | 0 | 0 | 0 | 112.8 | I44 M47 L51 V53 I58 A61 S83 P84 T85 A91 | I44-L87 HydrophobicContact CG2-CB 4.41Å; I44-L87 HydrophobicContact CG2-CD1 4.16Å; M47-L87 HydrophobicContact CB-CD2 3.6Å; M47-L87 HydrophobicContact CE-CD2 4.38Å; L51-L87 HydrophobicContact CD1-CD2 3.89Å; L51-L87 HydrophobicContact CD1-CG 4.44Å; V53-L87 HydrophobicContact CG2-CD1 4.26Å; I58-L87 HydrophobicContact CG1-CD1 4.49Å; A61-L87 HydrophobicContact CB-CB 4.17Å; A61-L87 HydrophobicContact CB-CD1 3.93Å; S83-L87 WeakPolarHBondContact O-CB 3.46Å; S83-L87 PolarHBondContact O-N 3.15Å; P84-L87 PolarHBondContact O-N 2.67Å; T85-L87 VanDerWaalsContact C-N 3.26Å; T85-L87 PolarHBondContact O-N 2.92Å; L87-A91 VanDerWaalsContact O-CB 3.24Å; L87-A91 WeakPolarHBondContact O-CB 3.48Å; L87-A91 PolarHBondContact O-N 2.93Å |
| 88 | F | 98.8 | Very high | 97.8 | Very high | 20 Ų | 20 | 38 Ų | 38 | 9% | 0.088 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 172.8 | 176.6 | -114.9 | 0 | 0 | 0 | 111.7 | P84 T85 A91 K92 R98 L100 V103 L132 E136 | P84-F88 WeakPolarHBondContact O-CB 3.28Å; P84-F88 PolarHBondContact O-N 2.94Å; T85-F88 PolarHBondContact O-N 2.99Å; F88-A91 PolarHBondContact O-N 3.2Å; F88-K92 HydrophobicContact CZ-CD 4.27Å; F88-K92 PolarHBondContact O-N 2.99Å; F88-R98 WeakPolarHBondContact CE2-O 3.43Å; F88-L100 HydrophobicContact CE1-CD1 4.38Å; F88-L100 HydrophobicContact CE2-CB 4.3Å; F88-L100 HydrophobicContact CE2-CD1 4.41Å; F88-L100 HydrophobicContact CZ-CB 4.38Å; F88-L100 HydrophobicContact CZ-CD1 4.24Å; F88-V103 HydrophobicContact CB-CG1 4.35Å; F88-V103 HydrophobicContact CD2-CG2 4.04Å; F88-L132 HydrophobicContact CB-CD2 4.06Å; F88-L132 HydrophobicContact CD1-CD2 3.55Å; F88-L132 HydrophobicContact CE1-CD2 4.2Å; F88-L132 HydrophobicContact CG-CD2 3.97Å; F88-E136 VanDerWaalsContact CD1-OE1 3.24Å; F88-E136 WeakPolarHBondContact CD1-OE1 3.42Å; F88-E136 WeakPolarHBondContact CE1-OE1 3.31Å; F88-E136 WeakPolarHBondContact CE1-OE2 3.45Å |
| 89 | L | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.5 | -52.2 | 175.6 | 177.7 | 59.5 | 0 | 0 | 0 | 111.3 | Y64 T85 A91 K92 V93 E136 V139 L140 L143 | Y64-L89 HydrophobicContact CD2-CD2 4.16Å; Y64-L89 HydrophobicContact CD2-CG 4.38Å; Y64-L89 HydrophobicContact CE2-CB 4.42Å; Y64-L89 HydrophobicContact CE2-CD2 3.96Å; Y64-L89 HydrophobicContact CE2-CG 3.87Å; T85-L89 PolarHBondContact O-N 3.49Å; L89-A91 VanDerWaalsContact C-N 3.28Å; L89-A91 PolarHBondContact O-N 3.29Å; L89-K92 PolarHBondContact O-N 3.36Å; L89-V93 HydrophobicContact CD1-CG2 4.18Å; L89-V93 HydrophobicContact CG-CG2 4.48Å; L89-V93 WeakPolarHBondContact O-CG2 3.42Å; L89-V93 PolarHBondContact O-N 3.01Å; L89-V93 VanDerWaalsContact O-N 3.07Å; L89-E136 HydrophobicContact CD1-CG 4.48Å; L89-V139 HydrophobicContact CD2-CB 4.49Å; L89-V139 HydrophobicContact CD2-CG1 3.68Å; L89-L140 HydrophobicContact CD1-CD1 4.27Å; L89-L140 HydrophobicContact CD1-CD2 3.82Å; L89-L140 HydrophobicContact CD1-CG 4.01Å; L89-L140 HydrophobicContact CD2-CD2 4.01Å; L89-L140 HydrophobicContact CD2-CG 4Å; L89-L143 HydrophobicContact CD2-CD1 4.45Å |
| 90 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.2 | -38.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T57 T60 A61 Y64 T86 K92 V93 E94 | T57-A90 HydrophobicContact CG2-CB 4.22Å; T60-A90 HydrophobicContact CG2-CB 3.94Å; A61-A90 HydrophobicContact CB-CB 3.78Å; Y64-A90 HydrophobicContact CD2-CB 4.18Å; Y64-A90 HydrophobicContact CE2-CB 3.86Å; T86-A90 VanDerWaalsContact O-CB 3.28Å; T86-A90 WeakPolarHBondContact O-CB 3.36Å; T86-A90 PolarHBondContact O-N 3.5Å; A90-K92 PolarHBondContact O-N 3.19Å; A90-V93 PolarHBondContact O-N 2.89Å; A90-E94 WeakPolarHBondContact O-CB 3.42Å; A90-E94 VanDerWaalsContact O-CG 3.24Å; A90-E94 WeakPolarHBondContact O-CG 3.39Å; A90-E94 PolarHBondContact O-N 3.19Å |
| 91 | A | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.8 | -31.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | T57 L87 F88 L89 Q96 | T57-A91 HydrophobicContact CG2-CB 4.07Å; L87-A91 VanDerWaalsContact O-CB 3.24Å; L87-A91 WeakPolarHBondContact O-CB 3.48Å; L87-A91 PolarHBondContact O-N 2.93Å; F88-A91 PolarHBondContact O-N 3.2Å; L89-A91 VanDerWaalsContact C-N 3.28Å; L89-A91 PolarHBondContact O-N 3.29Å; A91-Q96 CarbonylContact O-C 3.43Å; A91-Q96 WeakPolarHBondContact O-CA 3.19Å; A91-Q96 PolarHBondContact O-N 2.95Å |
| 92 | K | 98.1 | Very high | 97.9 | Very high | 78 Ų | 78 | 45.3 Ų | 45.3 | 34% | 0.339 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -77.9 | -39.3 | 173.4 | -67 | -173.5 | -65.7 | -178 | 0 | 112.7 | F88 L89 A90 E94 E95 P97 E136 | F88-K92 HydrophobicContact CZ-CD 4.27Å; F88-K92 PolarHBondContact O-N 2.99Å; L89-K92 PolarHBondContact O-N 3.36Å; A90-K92 PolarHBondContact O-N 3.19Å; K92-E94 VanDerWaalsContact C-N 3.35Å; K92-E95 PolarHBondContact O-N 3.06Å; K92-P97 HydrophobicContact CG-CB 4.25Å; K92-E136 WeakPolarHBondContact CE-OE1 3.24Å; K92-E136 IonicContact NZ-OE1 2.71Å; K92-E136 PolarHBondContact NZ-OE1 3.17Å; K92-E136 IonicContact NZ-OE2 2.68Å; K92-E136 PolarHBondContact NZ-OE2 3.09Å |
| 93 | V | 98.1 | Very high | 97.9 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 26% | 0.255 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70.1 | -31.7 | -178.8 | 177 | 0 | 0 | 0 | 0 | 112.4 | L89 A90 E95 I147 | L89-V93 HydrophobicContact CD1-CG2 4.18Å; L89-V93 HydrophobicContact CG-CG2 4.48Å; L89-V93 WeakPolarHBondContact O-CG2 3.42Å; L89-V93 PolarHBondContact O-N 3.01Å; L89-V93 VanDerWaalsContact O-N 3.07Å; A90-V93 PolarHBondContact O-N 2.89Å; V93-E95 VanDerWaalsContact C-N 3.3Å; V93-E95 PolarHBondContact O-N 3.48Å; V93-I147 HydrophobicContact CG1-CB 4.23Å; V93-I147 HydrophobicContact CG1-CD1 4.29Å; V93-I147 HydrophobicContact CG1-CG1 4.44Å; V93-I147 HydrophobicContact CG2-CB 4.11Å; V93-I147 HydrophobicContact CG2-CD1 3.97Å; V93-I147 HydrophobicContact CG2-CG2 4.45Å |
| 94 | E | 97.5 | Very high | 97.8 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 22.7 | -179 | -58 | -79.2 | -178.4 | 0 | 0 | 112.4 | L56 T57 T60 A90 K92 Q96 | L56-E94 WeakPolarHBondContact CD2-OE2 3.34Å; T57-E94 HydrophobicContact CG2-CB 4.32Å; T57-E94 HydrophobicContact CG2-CG 4.42Å; T60-E94 VanDerWaalsContact CB-OE1 3.31Å; T60-E94 WeakPolarHBondContact CB-OE1 3.49Å; T60-E94 HydrophobicContact CG2-CG 4.44Å; T60-E94 WeakPolarHBondContact CG2-OE1 3.48Å; T60-E94 PolarHBondContact OG1-OE1 3.4Å; A90-E94 WeakPolarHBondContact O-CB 3.42Å; A90-E94 VanDerWaalsContact O-CG 3.24Å; A90-E94 WeakPolarHBondContact O-CG 3.39Å; A90-E94 PolarHBondContact O-N 3.19Å; K92-E94 VanDerWaalsContact C-N 3.35Å; E94-Q96 PolarHBondContact O-N 2.85Å |
| 95 | E | 96.3 | Very high | 97.7 | Very high | 162 Ų | 162 | 48.4 Ų | 48.4 | 76% | 0.757 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 30.6 | 178.8 | -60.9 | -59.5 | 151.9 | 0 | 0 | 115 | K92 V93 | K92-E95 PolarHBondContact O-N 3.06Å; V93-E95 VanDerWaalsContact C-N 3.3Å; V93-E95 PolarHBondContact O-N 3.48Å |
| 96 | Q | 96.2 | Very high | 97.6 | Very high | 67 Ų | 67 | 49 Ų | 49 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | trans | -123.7 | 48.9 | 175.5 | -65.7 | -171.5 | 7.1 | 0 | 0 | 112.8 | V53 A91 E94 R98 | V53-Q96 HydrophobicContact CG1-CB 4.49Å; A91-Q96 CarbonylContact O-C 3.43Å; A91-Q96 WeakPolarHBondContact O-CA 3.19Å; A91-Q96 PolarHBondContact O-N 2.95Å; E94-Q96 PolarHBondContact O-N 2.85Å; Q96-R98 PolarHBondContact O-NH1 3.48Å; Q96-R98 VanDerWaalsContact O-NH1 3.16Å | ||
| 97 | P | 96.8 | Very high | 97.5 | Very high | 78 Ų | 78 | 49.3 Ų | 49.3 | 51% | 0.506 | 24% | 0.236 | S | C | . | . | trans | -56.6 | 147.3 | -171.4 | 23.1 | -34.5 | 0 | 0 | 0 | 112.7 | K92 | K92-P97 HydrophobicContact CG-CB 4.25Š| ||
| 98 | R | 97.8 | Very high | 97.3 | Very high | 68 Ų | 68 | 50.4 Ų | 50.4 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | trans | -126.8 | 143.8 | 176.1 | -65 | -66.8 | 176.6 | -95.5 | 4 | 109 | L51 N52 V53 F88 Q96 L100 V103 | L51-R98 HydrophobicContact CD2-CB 4.46Å; L51-R98 HydrophobicContact CD2-CG 4.4Å; L51-R98 PolarHBondContact O-NE 3.01Å; N52-R98 PolarHBondContact O-NH2 3.11Å; V53-R98 HydrophobicContact CG1-CG 3.89Å; F88-R98 WeakPolarHBondContact CE2-O 3.43Å; Q96-R98 PolarHBondContact O-NH1 3.48Å; Q96-R98 VanDerWaalsContact O-NH1 3.16Å; R98-L100 PolarHBondContact O-N 3.49Å; R98-V103 HydrophobicContact CB-CG2 3.93Å | ||
| 99 | K | 97.7 | Very high | 97.1 | Very high | 166 Ų | 166 | 51.5 Ų | 51.5 | 72% | 0.722 | 25% | 0.254 | S | S | * | . | trans | -61.1 | 135.4 | 176.9 | -66.5 | -174.5 | 178.1 | -176.1 | 0 | 109.7 | E101 H102 V103 | K99-E101 VanDerWaalsContact C-N 3.29Å; K99-E101 PolarHBondContact O-N 3.46Å; K99-H102 HydrophobicContact CB-CB 4.33Å; K99-H102 WeakPolarHBondContact O-CA 3.46Å; K99-H102 WeakPolarHBondContact O-CB 3.39Å; K99-H102 PolarHBondContact O-N 2.96Å; K99-V103 PolarHBondContact O-N 2.8Å; K99-V103 VanDerWaalsContact O-N 3.15Å | ||
| 100 | L | 97.4 | Very high | 96.9 | Very high | 44 Ų | 44 | 52.3 Ų | 52.3 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -48.3 | -50.6 | 178.3 | 179 | 61.4 | 0 | 0 | 0 | 112.1 | F88 R98 H102 V103 I104 A129 L132 V133 | F88-L100 HydrophobicContact CE1-CD1 4.38Å; F88-L100 HydrophobicContact CE2-CB 4.3Å; F88-L100 HydrophobicContact CE2-CD1 4.41Å; F88-L100 HydrophobicContact CZ-CB 4.38Å; F88-L100 HydrophobicContact CZ-CD1 4.24Å; R98-L100 PolarHBondContact O-N 3.49Å; L100-H102 VanDerWaalsContact C-N 3.26Å; L100-H102 PolarHBondContact O-N 3.08Å; L100-V103 PolarHBondContact O-N 3.12Å; L100-V103 VanDerWaalsContact O-N 3.11Å; L100-I104 HydrophobicContact CD1-CD1 4Å; L100-I104 HydrophobicContact CD1-CG1 4.41Å; L100-I104 HydrophobicContact CG-CD1 3.84Å; L100-I104 WeakPolarHBondContact O-CG1 3.46Å; L100-I104 PolarHBondContact O-N 2.92Å; L100-A129 HydrophobicContact CD2-CB 4.22Å; L100-L132 HydrophobicContact CD1-CB 4.22Å; L100-L132 HydrophobicContact CD1-CD1 3.88Å; L100-L132 HydrophobicContact CD1-CD2 3.72Å; L100-L132 HydrophobicContact CD1-CG 4.15Å; L100-V133 HydrophobicContact CD2-CG2 3.82Å |
| 101 | E | 96.8 | Very high | 96.7 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 35% | 0.35 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -50.5 | -42.2 | 175.1 | -172.1 | -159.2 | 142.6 | 0 | 0 | 113.2 | K99 I104 K105 T120 Y125 | K99-E101 VanDerWaalsContact C-N 3.29Å; K99-E101 PolarHBondContact O-N 3.46Å; E101-I104 PolarHBondContact O-N 3.26Å; E101-K105 HydrophobicContact CG-CD 4.22Å; E101-K105 WeakPolarHBondContact O-CB 3.43Å; E101-K105 WeakPolarHBondContact O-CG 3.36Å; E101-K105 PolarHBondContact O-N 3.4Å; E101-K105 IonicContact OE1-NZ 3.35Å; E101-K105 PolarHBondContact OE1-NZ 2.88Å; E101-T120 HydrophobicContact CG-CG2 4.11Å; E101-Y125 WeakPolarHBondContact CA-OH 3.38Å; E101-Y125 HydrophobicContact CB-CE2 4.46Å; E101-Y125 WeakPolarHBondContact CB-OH 3.43Å; E101-Y125 HydrophobicContact CG-CE2 4.11Å |
| 102 | H | 97.3 | Very high | 96.4 | Very high | 84 Ų | 84 | 57.8 Ų | 57.8 | 39% | 0.389 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -72.4 | -38.2 | -178.5 | -171.7 | -157.6 | 0 | 0 | 0 | 111.4 | K99 L100 K105 V106 | K99-H102 HydrophobicContact CB-CB 4.33Å; K99-H102 WeakPolarHBondContact O-CA 3.46Å; K99-H102 WeakPolarHBondContact O-CB 3.39Å; K99-H102 PolarHBondContact O-N 2.96Å; L100-H102 VanDerWaalsContact C-N 3.26Å; L100-H102 PolarHBondContact O-N 3.08Å; H102-K105 PolarHBondContact O-N 3.19Å; H102-V106 WeakPolarHBondContact O-CB 3.47Å; H102-V106 WeakPolarHBondContact O-CG2 3.03Å; H102-V106 PolarHBondContact O-N 2.86Å |
| 103 | V | 98 | Very high | 96 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 174.2 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | M47 L51 P84 F88 R98 K99 L100 V106 A107 L132 | M47-V103 HydrophobicContact CE-CG1 3.78Å; M47-V103 WeakPolarHBondContact CE-O 3.17Å; L51-V103 HydrophobicContact CD1-CB 4.47Å; L51-V103 HydrophobicContact CD1-CG1 4.31Å; L51-V103 HydrophobicContact CD1-CG2 4Å; L51-V103 HydrophobicContact CD2-CG2 4.16Å; P84-V103 HydrophobicContact CB-CG1 4.14Å; F88-V103 HydrophobicContact CB-CG1 4.35Å; F88-V103 HydrophobicContact CD2-CG2 4.04Å; R98-V103 HydrophobicContact CB-CG2 3.93Å; K99-V103 PolarHBondContact O-N 2.8Å; K99-V103 VanDerWaalsContact O-N 3.15Å; L100-V103 PolarHBondContact O-N 3.12Å; L100-V103 VanDerWaalsContact O-N 3.11Å; V103-V106 PolarHBondContact O-N 3.17Å; V103-A107 WeakPolarHBondContact O-CB 3.35Å; V103-A107 PolarHBondContact O-N 3.27Å; V103-L132 HydrophobicContact CG1-CD1 4.49Å |
| 104 | I | 97.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 177.6 | -62.8 | 164.9 | 0 | 0 | 0 | 110.8 | L100 E101 V106 A107 H108 L118 Y125 Q128 A129 L132 | L100-I104 HydrophobicContact CD1-CD1 4Å; L100-I104 HydrophobicContact CD1-CG1 4.41Å; L100-I104 HydrophobicContact CG-CD1 3.84Å; L100-I104 WeakPolarHBondContact O-CG1 3.46Å; L100-I104 PolarHBondContact O-N 2.92Å; E101-I104 PolarHBondContact O-N 3.26Å; I104-V106 VanDerWaalsContact C-N 3.33Å; I104-V106 PolarHBondContact O-N 2.66Å; I104-A107 WeakPolarHBondContact O-CB 3.24Å; I104-A107 PolarHBondContact O-N 2.91Å; I104-H108 PolarHBondContact O-N 3.31Å; I104-L118 HydrophobicContact CG2-CD2 3.76Å; I104-Y125 HydrophobicContact CB-CE2 4.25Å; I104-Y125 HydrophobicContact CD1-CE2 3.88Å; I104-Y125 HydrophobicContact CG2-CD2 3.98Å; I104-Y125 HydrophobicContact CG2-CE2 4.1Å; I104-Q128 HydrophobicContact CG2-CB 4.22Å; I104-A129 HydrophobicContact CD1-CB 3.74Å; I104-L132 HydrophobicContact CG1-CD1 3.91Å |
| 105 | K | 95.6 | Very high | 95.3 | Very high | 69 Ų | 69 | 68.6 Ų | 68.6 | 30% | 0.3 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 177.3 | -75.2 | 176.3 | 178.4 | 174.6 | 0 | 112.8 | E101 H102 A109 T120 | E101-K105 HydrophobicContact CG-CD 4.22Å; E101-K105 WeakPolarHBondContact O-CB 3.43Å; E101-K105 WeakPolarHBondContact O-CG 3.36Å; E101-K105 PolarHBondContact O-N 3.4Å; E101-K105 IonicContact OE1-NZ 3.35Å; E101-K105 PolarHBondContact OE1-NZ 2.88Å; H102-K105 PolarHBondContact O-N 3.19Å; K105-A109 WeakPolarHBondContact O-CB 3.48Å; K105-A109 PolarHBondContact O-N 3.28Å; K105-T120 WeakPolarHBondContact CE-OG1 3.41Å; K105-T120 PolarHBondContact NZ-OG1 3.23Å |
| 106 | V | 96.9 | Very high | 94.8 | Very high | 13 Ų | 13 | 65.4 Ų | 65.4 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70 | -39.7 | 173.3 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | M47 R50 L51 H102 V103 I104 A109 C110 | M47-V106 HydrophobicContact CB-CG1 4.15Å; M47-V106 HydrophobicContact CE-CG1 4.25Å; M47-V106 HydrophobicContact CG-CG1 4.13Å; R50-V106 HydrophobicContact CB-CG1 3.64Å; R50-V106 HydrophobicContact CB-CG2 4.35Å; L51-V106 HydrophobicContact CD2-CB 4.18Å; L51-V106 HydrophobicContact CD2-CG2 3.83Å; L51-V106 HydrophobicContact CG-CB 4.17Å; L51-V106 HydrophobicContact CG-CG1 4.1Å; L51-V106 HydrophobicContact CG-CG2 4.1Å; H102-V106 WeakPolarHBondContact O-CB 3.47Å; H102-V106 WeakPolarHBondContact O-CG2 3.03Å; H102-V106 PolarHBondContact O-N 2.86Å; V103-V106 PolarHBondContact O-N 3.17Å; I104-V106 VanDerWaalsContact C-N 3.33Å; I104-V106 PolarHBondContact O-N 2.66Å; V106-A109 PolarHBondContact O-N 3.09Å; V106-C110 WeakPolarHBondContact O-CB 3.27Å; V106-C110 PolarHBondContact O-N 3.21Å |
| 107 | A | 96.8 | Very high | 94.4 | Very high | 8 Ų | 8 | 68.2 Ų | 68.2 | 7% | 0.066 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | M47 P84 V103 I104 A109 C110 L111 | M47-A107 HydrophobicContact CE-CB 3.67Å; M47-A107 HydrophobicContact SD-CB 3.88Å; P84-A107 HydrophobicContact CB-CB 4.01Å; P84-A107 HydrophobicContact CG-CB 4.41Å; V103-A107 WeakPolarHBondContact O-CB 3.35Å; V103-A107 PolarHBondContact O-N 3.27Å; I104-A107 WeakPolarHBondContact O-CB 3.24Å; I104-A107 PolarHBondContact O-N 2.91Å; A107-A109 PolarHBondContact O-N 2.9Å; A107-C110 WeakPolarHBondContact O-CB 3.45Å; A107-C110 PolarHBondContact O-N 3.45Å; A107-C110 VanDerWaalsContact O-N 3.12Å; A107-L111 WeakPolarHBondContact O-CB 3.5Å; A107-L111 VanDerWaalsContact O-CG 3.3Å; A107-L111 WeakPolarHBondContact O-CG 3.36Å; A107-L111 PolarHBondContact O-N 2.92Å |
| 108 | H | 94.9 | Very high | 93.9 | Very high | 24 Ų | 24 | 65.5 Ų | 65.5 | 11% | 0.111 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57 | -48 | 175.3 | -164.4 | -74.5 | 0 | 0 | 0 | 111.8 | I104 C110 L111 N112 E115 S116 L118 | I104-H108 PolarHBondContact O-N 3.31Å; H108-C110 PolarHBondContact O-N 2.93Å; H108-L111 PolarHBondContact O-N 2.95Å; H108-N112 WeakPolarHBondContact O-CA 3.34Å; H108-N112 PolarHBondContact O-N 3.47Å; H108-E115 IonicContact CE1-OE2 3.84Å; H108-E115 IonicContact NE2-OE2 3.5Å; H108-S116 PolarHBondContact CE1-O 2.74Å; H108-L118 HydrophobicContact CB-CB 4.47Å |
| 109 | A | 94.6 | Very high | 93.6 | Very high | 42 Ų | 42 | 66.5 Ų | 66.5 | 35% | 0.347 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.2 | -13.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R50 K105 V106 A107 | R50-A109 VanDerWaalsContact NH1-C 3.33Å; R50-A109 PolarHBondContact NH1-O 3.26Å; K105-A109 WeakPolarHBondContact O-CB 3.48Å; K105-A109 PolarHBondContact O-N 3.28Å; V106-A109 PolarHBondContact O-N 3.09Å; A107-A109 PolarHBondContact O-N 2.9Å |
| 110 | C | 94.6 | Very high | 93.3 | Very high | 24 Ų | 24 | 60.8 Ų | 60.8 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -90.1 | -41.6 | 171.2 | -84.7 | 0 | 0 | 0 | 0 | 112.2 | L43 M47 R50 V106 A107 H108 | L43-C110 HydrophobicContact CD1-CB 3.78Å; M47-C110 HydrophobicContact CG-CB 4.18Å; R50-C110 VanDerWaalsContact CD-SG 3.57Å; V106-C110 WeakPolarHBondContact O-CB 3.27Å; V106-C110 PolarHBondContact O-N 3.21Å; A107-C110 WeakPolarHBondContact O-CB 3.45Å; A107-C110 PolarHBondContact O-N 3.45Å; A107-C110 VanDerWaalsContact O-N 3.12Å; H108-C110 PolarHBondContact O-N 2.93Å |
| 111 | L | 94.2 | Very high | 93 | Very high | 59 Ų | 59 | 67.5 Ų | 67.5 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -81.4 | -39.1 | -175.5 | -67.6 | 173.4 | 0 | 0 | 0 | 112.7 | L43 N80 A107 H108 P113 | L43-L111 HydrophobicContact CD1-CD2 3.99Å; L43-L111 HydrophobicContact CD1-CG 4.41Å; L43-L111 HydrophobicContact CD2-CD2 3.74Å; N80-L111 HydrophobicContact CB-CD1 3.89Å; N80-L111 HydrophobicContact CB-CD2 3.93Å; N80-L111 WeakPolarHBondContact ND2-CD2 3.49Å; A107-L111 WeakPolarHBondContact O-CB 3.5Å; A107-L111 VanDerWaalsContact O-CG 3.3Å; A107-L111 WeakPolarHBondContact O-CG 3.36Å; A107-L111 PolarHBondContact O-N 2.92Å; H108-L111 PolarHBondContact O-N 2.95Å; L111-P113 WeakPolarHBondContact O-CD 3.4Å |
| 112 | N | 92.6 | Very high | 92.8 | Very high | 58 Ų | 58 | 65.4 Ų | 65.4 | 31% | 0.31 | 36% | 0.356 | S | S | . | . | trans | -125.2 | 65.3 | -171.8 | -57.1 | 5.8 | 0 | 0 | 0 | 110.8 | H108 Q114 E115 | H108-N112 WeakPolarHBondContact O-CA 3.34Å; H108-N112 PolarHBondContact O-N 3.47Å; N112-Q114 PolarHBondContact O-N 3.38Å; N112-E115 HydrophobicContact CB-CB 4.07Å; N112-E115 HydrophobicContact CB-CG 4.03Å; N112-E115 WeakPolarHBondContact CB-OE2 3.3Å; N112-E115 VanDerWaalsContact ND2-CD 3.31Å; N112-E115 PolarHBondContact ND2-OE1 3.12Å; N112-E115 PolarHBondContact ND2-OE2 3.45Å; N112-E115 PolarHBondContact O-N 2.89Å; N112-E115 VanDerWaalsContact O-N 3.16Å | ||
| 113 | P | 89.7 | Confident | 92.6 | Very high | 92 Ų | 92 | 67.8 Ų | 67.8 | 60% | 0.597 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -7.7 | -168.7 | -20.2 | 34.6 | 0 | 0 | 0 | 116 | L111 | L111-P113 WeakPolarHBondContact O-CD 3.4Š|
| 114 | Q | 90 | Very high | 92.3 | Very high | 188 Ų | 188 | 70.1 Ų | 70.1 | 88% | 0.879 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -6.7 | 179.6 | -57.9 | -64.1 | -16.1 | 0 | 0 | 112.7 | N112 | N112-Q114 PolarHBondContact O-N 3.38Š|
| 115 | E | 89.7 | Confident | 92.2 | Very high | 114 Ų | 114 | 71 Ų | 71 | 53% | 0.533 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -87.6 | 159.3 | 178.9 | -70.5 | 177.1 | -166.4 | 0 | 0 | 111.3 | H108 N112 | H108-E115 IonicContact CE1-OE2 3.84Å; H108-E115 IonicContact NE2-OE2 3.5Å; N112-E115 HydrophobicContact CB-CB 4.07Å; N112-E115 HydrophobicContact CB-CG 4.03Å; N112-E115 WeakPolarHBondContact CB-OE2 3.3Å; N112-E115 VanDerWaalsContact ND2-CD 3.31Å; N112-E115 PolarHBondContact ND2-OE1 3.12Å; N112-E115 PolarHBondContact ND2-OE2 3.45Å; N112-E115 PolarHBondContact O-N 2.89Å; N112-E115 VanDerWaalsContact O-N 3.16Å |
| 116 | S | 86.8 | Confident | 92.2 | Very high | 95 Ų | 95 | 72 Ų | 72 | 66% | 0.664 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 153.8 | 176.4 | 47.3 | 0 | 0 | 0 | 0 | 111.8 | H108 L118 | H108-S116 PolarHBondContact CE1-O 2.74Å; S116-L118 PolarHBondContact O-N 3.41Å |
| 117 | P | 86.1 | Confident | 92.1 | Very high | 125 Ų | 125 | 77.9 Ų | 77.9 | 81% | 0.812 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 127.6 | 173.9 | -24.7 | 34.8 | 0 | 0 | 0 | 111.4 | D119 | P117-D119 PolarHBondContact O-N 3.4Š|
| 118 | L | 88.1 | Confident | 92.1 | Very high | 21 Ų | 21 | 81 Ų | 81 | 11% | 0.11 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 118.9 | -173.7 | -176.4 | 69.8 | 0 | 0 | 0 | 112.5 | I104 H108 S116 T120 A124 Y125 | I104-L118 HydrophobicContact CG2-CD2 3.76Å; H108-L118 HydrophobicContact CB-CB 4.47Å; S116-L118 PolarHBondContact O-N 3.41Å; L118-T120 PolarHBondContact O-N 2.71Å; L118-A124 HydrophobicContact CD1-CB 4.48Å; L118-Y125 HydrophobicContact CD2-CD2 3.83Å; L118-Y125 HydrophobicContact CD2-CG 4.4Å; L118-Y125 HydrophobicContact CG-CD2 4.46Å |
| 119 | D | 90.1 | Very high | 92.2 | Very high | 90 Ų | 90 | 80.5 Ų | 80.5 | 48% | 0.481 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 128.6 | 175.7 | 174.6 | 28.7 | 0 | 0 | 0 | 111.1 | P117 K121 S122 Y125 | P117-D119 PolarHBondContact O-N 3.4Å; D119-K121 PolarHBondContact O-N 3.41Å; D119-K121 PolarHBondContact OD1-N 3.1Å; D119-S122 WeakPolarHBondContact O-CB 3.41Å; D119-S122 PolarHBondContact O-N 2.98Å; D119-S122 VanDerWaalsContact O-N 3.12Å; D119-S122 PolarHBondContact O-OG 2.82Å; D119-S122 PolarHBondContact OD2-N 3.43Å; D119-Y125 WeakPolarHBondContact O-CB 3.46Å |
| 120 | T | 91 | Very high | 92.3 | Very high | 46 Ų | 46 | 84.8 Ų | 84.8 | 28% | 0.282 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -12.3 | -178.1 | -43.5 | 0 | 0 | 0 | 0 | 112.6 | E101 K105 L118 Y125 | E101-T120 HydrophobicContact CG-CG2 4.11Å; K105-T120 WeakPolarHBondContact CE-OG1 3.41Å; K105-T120 PolarHBondContact NZ-OG1 3.23Å; L118-T120 PolarHBondContact O-N 2.71Å; T120-Y125 HydrophobicContact CG2-CD1 3.94Å; T120-Y125 HydrophobicContact CG2-CE1 3.54Å; T120-Y125 HydrophobicContact CG2-CE2 4.39Å; T120-Y125 WeakPolarHBondContact O-CD1 3.32Å |
| 121 | K | 91.1 | Very high | 92.5 | Very high | 184 Ų | 184 | 87.1 Ų | 87.1 | 80% | 0.8 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -5.5 | 170.5 | -59.4 | 178.7 | -178.7 | 177.6 | 0 | 113.4 | D119 | D119-K121 PolarHBondContact O-N 3.41Å; D119-K121 PolarHBondContact OD1-N 3.1Å |
| 122 | S | 93.4 | Very high | 92.7 | Very high | 31 Ų | 31 | 84.8 Ų | 84.8 | 22% | 0.217 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -73.1 | 144.8 | -179.5 | 72.4 | 0 | 0 | 0 | 0 | 112.1 | D119 A124 Y125 L126 | D119-S122 WeakPolarHBondContact O-CB 3.41Å; D119-S122 PolarHBondContact O-N 2.98Å; D119-S122 VanDerWaalsContact O-N 3.12Å; D119-S122 PolarHBondContact O-OG 2.82Å; D119-S122 PolarHBondContact OD2-N 3.43Å; S122-A124 PolarHBondContact O-N 3.44Å; S122-Y125 PolarHBondContact O-N 3.48Å; S122-Y125 VanDerWaalsContact O-N 3.14Å; S122-Y125 WeakPolarHBondContact OG-CB 3.31Å; S122-Y125 PolarHBondContact OG-N 3.35Å; S122-Y125 VanDerWaalsContact OG-N 3.12Å; S122-L126 WeakPolarHBondContact O-CG 3.17Å; S122-L126 PolarHBondContact O-N 3.19Å; S122-L126 VanDerWaalsContact O-N 3.11Å |
| 123 | N | 93.3 | Very high | 92.9 | Very high | 135 Ų | 135 | 85.6 Ų | 85.6 | 72% | 0.722 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.5 | -32.5 | 172.8 | -74 | -30.3 | 0 | 0 | 0 | 112.1 | L126 Q127 | N123-L126 PolarHBondContact O-N 3.33Å; N123-Q127 WeakPolarHBondContact O-CB 3.44Å; N123-Q127 PolarHBondContact O-N 3.07Å |
| 124 | A | 90.8 | Very high | 93.3 | Very high | 50 Ų | 50 | 85.6 Ų | 85.6 | 41% | 0.413 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L118 S122 Q128 | L118-A124 HydrophobicContact CD1-CB 4.48Å; S122-A124 PolarHBondContact O-N 3.44Å; A124-Q128 WeakPolarHBondContact O-CB 3.5Å; A124-Q128 WeakPolarHBondContact O-CG 3.25Å; A124-Q128 PolarHBondContact O-N 2.94Å |
| 125 | Y | 95.6 | Very high | 93.7 | Very high | 22 Ų | 22 | 77.1 Ų | 77.1 | 9% | 0.086 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 173.7 | 170.6 | -96.5 | 0 | 0 | 0 | 112.1 | E101 I104 L118 D119 T120 S122 Q127 Q128 A129 | E101-Y125 WeakPolarHBondContact CA-OH 3.38Å; E101-Y125 HydrophobicContact CB-CE2 4.46Å; E101-Y125 WeakPolarHBondContact CB-OH 3.43Å; E101-Y125 HydrophobicContact CG-CE2 4.11Å; I104-Y125 HydrophobicContact CB-CE2 4.25Å; I104-Y125 HydrophobicContact CD1-CE2 3.88Å; I104-Y125 HydrophobicContact CG2-CD2 3.98Å; I104-Y125 HydrophobicContact CG2-CE2 4.1Å; L118-Y125 HydrophobicContact CD2-CD2 3.83Å; L118-Y125 HydrophobicContact CD2-CG 4.4Å; L118-Y125 HydrophobicContact CG-CD2 4.46Å; D119-Y125 WeakPolarHBondContact O-CB 3.46Å; T120-Y125 HydrophobicContact CG2-CD1 3.94Å; T120-Y125 HydrophobicContact CG2-CE1 3.54Å; T120-Y125 HydrophobicContact CG2-CE2 4.39Å; T120-Y125 WeakPolarHBondContact O-CD1 3.32Å; S122-Y125 PolarHBondContact O-N 3.48Å; S122-Y125 VanDerWaalsContact O-N 3.14Å; S122-Y125 WeakPolarHBondContact OG-CB 3.31Å; S122-Y125 PolarHBondContact OG-N 3.35Å; S122-Y125 VanDerWaalsContact OG-N 3.12Å; Y125-Q127 VanDerWaalsContact C-N 3.31Å; Y125-Q127 PolarHBondContact O-N 2.98Å; Y125-Q128 PolarHBondContact O-N 2.85Å; Y125-A129 HydrophobicContact CE1-CB 4.4Å; Y125-A129 WeakPolarHBondContact O-CB 3.43Å; Y125-A129 PolarHBondContact O-N 3.16Å |
| 126 | L | 95.8 | Very high | 94.1 | Very high | 90 Ų | 90 | 72.7 Ų | 72.7 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | -179.6 | -64.7 | 174.3 | 0 | 0 | 0 | 111.5 | S122 N123 A129 Q130 | S122-L126 WeakPolarHBondContact O-CG 3.17Å; S122-L126 PolarHBondContact O-N 3.19Å; S122-L126 VanDerWaalsContact O-N 3.11Å; N123-L126 PolarHBondContact O-N 3.33Å; L126-A129 PolarHBondContact O-N 2.92Å; L126-Q130 PolarHBondContact O-N 3.3Å |
| 127 | Q | 95.9 | Very high | 94.7 | Very high | 138 Ų | 138 | 70.8 Ų | 70.8 | 65% | 0.645 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.6 | -47.2 | 174.9 | -172.1 | 173.7 | 9.1 | 0 | 0 | 111.9 | N123 Y125 A129 Q130 E131 | N123-Q127 WeakPolarHBondContact O-CB 3.44Å; N123-Q127 PolarHBondContact O-N 3.07Å; Y125-Q127 VanDerWaalsContact C-N 3.31Å; Y125-Q127 PolarHBondContact O-N 2.98Å; Q127-A129 VanDerWaalsContact C-N 3.3Å; Q127-A129 PolarHBondContact O-N 2.64Å; Q127-Q130 PolarHBondContact O-N 3.06Å; Q127-E131 VanDerWaalsContact O-CB 3.31Å; Q127-E131 WeakPolarHBondContact O-CB 3.24Å; Q127-E131 PolarHBondContact O-N 3.17Å |
| 128 | Q | 95.3 | Very high | 95.3 | Very high | 73 Ų | 73 | 67.1 Ų | 67.1 | 34% | 0.341 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62 | -36.2 | 176.1 | -74.8 | 178.4 | -1.9 | 0 | 0 | 112.6 | I104 A124 Y125 L132 | I104-Q128 HydrophobicContact CG2-CB 4.22Å; A124-Q128 WeakPolarHBondContact O-CB 3.5Å; A124-Q128 WeakPolarHBondContact O-CG 3.25Å; A124-Q128 PolarHBondContact O-N 2.94Å; Y125-Q128 PolarHBondContact O-N 2.85Å; Q128-L132 WeakPolarHBondContact O-CB 3.35Å; Q128-L132 PolarHBondContact O-N 3.35Å |
| 129 | A | 97.3 | Very high | 95.8 | Very high | 14 Ų | 14 | 66.1 Ų | 66.1 | 12% | 0.116 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.1 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L100 I104 Y125 L126 Q127 V133 | L100-A129 HydrophobicContact CD2-CB 4.22Å; I104-A129 HydrophobicContact CD1-CB 3.74Å; Y125-A129 HydrophobicContact CE1-CB 4.4Å; Y125-A129 WeakPolarHBondContact O-CB 3.43Å; Y125-A129 PolarHBondContact O-N 3.16Å; L126-A129 PolarHBondContact O-N 2.92Å; Q127-A129 VanDerWaalsContact C-N 3.3Å; Q127-A129 PolarHBondContact O-N 2.64Å; A129-V133 WeakPolarHBondContact O-CG2 3.34Å; A129-V133 PolarHBondContact O-N 2.8Å |
| 130 | Q | 97.9 | Very high | 96.1 | Very high | 131 Ų | 131 | 63.6 Ų | 63.6 | 61% | 0.612 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -66.5 | -43.8 | 174.1 | -175.2 | 176.8 | -0.9 | 0 | 0 | 111.6 | L126 Q127 V133 I134 | L126-Q130 PolarHBondContact O-N 3.3Å; Q127-Q130 PolarHBondContact O-N 3.06Å; Q130-V133 PolarHBondContact O-N 3.4Å; Q130-I134 HydrophobicContact CG-CD1 3.96Å; Q130-I134 WeakPolarHBondContact O-CG1 3.44Å; Q130-I134 PolarHBondContact O-N 3.29Å; Q130-I134 VanDerWaalsContact O-N 3.07Å |
| 131 | E | 97.3 | Very high | 96.5 | Very high | 74 Ų | 74 | 67 Ų | 67 | 35% | 0.346 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.7 | -49 | 178.1 | -175.9 | -179.2 | -158.5 | 0 | 0 | 111.4 | I81 Q127 V133 I134 L135 | I81-E131 WeakPolarHBondContact CD1-OE1 3.24Å; Q127-E131 VanDerWaalsContact O-CB 3.31Å; Q127-E131 WeakPolarHBondContact O-CB 3.24Å; Q127-E131 PolarHBondContact O-N 3.17Å; E131-V133 VanDerWaalsContact C-N 3.32Å; E131-V133 PolarHBondContact O-N 2.55Å; E131-I134 PolarHBondContact O-N 2.87Å; E131-I134 VanDerWaalsContact O-N 3.14Å; E131-L135 HydrophobicContact CG-CD1 3.78Å; E131-L135 HydrophobicContact CG-CG 4.13Å; E131-L135 WeakPolarHBondContact O-CB 3.39Å; E131-L135 VanDerWaalsContact O-CG 3.3Å; E131-L135 WeakPolarHBondContact O-CG 3.35Å; E131-L135 PolarHBondContact O-N 3.07Å |
| 132 | L | 98.3 | Very high | 96.8 | Very high | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61 | -40.1 | -179.5 | -160.5 | 163.8 | 0 | 0 | 0 | 111.7 | P84 T85 F88 L100 V103 I104 Q128 L135 E136 | P84-L132 HydrophobicContact CB-CD1 4.35Å; T85-L132 HydrophobicContact CG2-CD2 4.47Å; F88-L132 HydrophobicContact CB-CD2 4.06Å; F88-L132 HydrophobicContact CD1-CD2 3.55Å; F88-L132 HydrophobicContact CE1-CD2 4.2Å; F88-L132 HydrophobicContact CG-CD2 3.97Å; L100-L132 HydrophobicContact CD1-CB 4.22Å; L100-L132 HydrophobicContact CD1-CD1 3.88Å; L100-L132 HydrophobicContact CD1-CD2 3.72Å; L100-L132 HydrophobicContact CD1-CG 4.15Å; V103-L132 HydrophobicContact CG1-CD1 4.49Å; I104-L132 HydrophobicContact CG1-CD1 3.91Å; Q128-L132 WeakPolarHBondContact O-CB 3.35Å; Q128-L132 PolarHBondContact O-N 3.35Å; L132-L135 PolarHBondContact O-N 3.32Å; L132-E136 WeakPolarHBondContact O-CB 3.21Å; L132-E136 PolarHBondContact O-N 2.8Å |
| 133 | V | 98.3 | Very high | 96.9 | Very high | 76 Ų | 76 | 57.9 Ų | 57.9 | 46% | 0.461 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 112 | L100 A129 Q130 E131 S137 | L100-V133 HydrophobicContact CD2-CG2 3.82Å; A129-V133 WeakPolarHBondContact O-CG2 3.34Å; A129-V133 PolarHBondContact O-N 2.8Å; Q130-V133 PolarHBondContact O-N 3.4Å; E131-V133 VanDerWaalsContact C-N 3.32Å; E131-V133 PolarHBondContact O-N 2.55Å; V133-S137 PolarHBondContact O-N 2.89Å |
| 134 | I | 98.3 | Very high | 97 | Very high | 91 Ų | 91 | 53.4 Ų | 53.4 | 47% | 0.467 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.5 | -47.5 | 174.5 | -67.9 | 166.6 | 0 | 0 | 0 | 110.4 | Q130 E131 E136 S137 I138 | Q130-I134 HydrophobicContact CG-CD1 3.96Å; Q130-I134 WeakPolarHBondContact O-CG1 3.44Å; Q130-I134 PolarHBondContact O-N 3.29Å; Q130-I134 VanDerWaalsContact O-N 3.07Å; E131-I134 PolarHBondContact O-N 2.87Å; E131-I134 VanDerWaalsContact O-N 3.14Å; I134-E136 VanDerWaalsContact C-N 3.3Å; I134-E136 PolarHBondContact O-N 3.49Å; I134-S137 WeakPolarHBondContact O-CB 3.37Å; I134-S137 PolarHBondContact O-N 3.43Å; I134-I138 HydrophobicContact CG2-CD1 3.94Å; I134-I138 WeakPolarHBondContact O-CG1 3.44Å; I134-I138 PolarHBondContact O-N 3.39Å; I134-I138 VanDerWaalsContact O-N 3.08Å |
| 135 | L | 98.4 | Very high | 97.2 | Very high | 10 Ų | 10 | 57.4 Ų | 57.4 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.6 | -35.8 | 178.6 | -69.7 | 174.4 | 0 | 0 | 0 | 112 | F77 I81 I82 T85 E131 L132 S137 I138 V139 | F77-L135 HydrophobicContact CD1-CD2 3.77Å; F77-L135 HydrophobicContact CE1-CD2 3.75Å; I81-L135 HydrophobicContact CB-CD1 3.82Å; I81-L135 HydrophobicContact CD1-CD1 4.03Å; I81-L135 HydrophobicContact CG1-CD1 4.12Å; I82-L135 HydrophobicContact CD1-CD2 4.11Å; T85-L135 HydrophobicContact CG2-CB 3.73Å; E131-L135 HydrophobicContact CG-CD1 3.78Å; E131-L135 HydrophobicContact CG-CG 4.13Å; E131-L135 WeakPolarHBondContact O-CB 3.39Å; E131-L135 VanDerWaalsContact O-CG 3.3Å; E131-L135 WeakPolarHBondContact O-CG 3.35Å; E131-L135 PolarHBondContact O-N 3.07Å; L132-L135 PolarHBondContact O-N 3.32Å; L135-S137 VanDerWaalsContact C-N 3.34Å; L135-S137 PolarHBondContact O-N 3.06Å; L135-I138 HydrophobicContact CD2-CD1 4.44Å; L135-I138 PolarHBondContact O-N 3.32Å; L135-V139 VanDerWaalsContact O-CG2 3.31Å; L135-V139 WeakPolarHBondContact O-CG2 3.44Å; L135-V139 PolarHBondContact O-N 2.87Å |
| 136 | E | 98.4 | Very high | 97.2 | Very high | 22 Ų | 22 | 59.4 Ų | 59.4 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 175 | 172.2 | 168.1 | -109.9 | 0 | 0 | 111.4 | T85 F88 L89 K92 L132 I134 I138 V139 L140 | T85-E136 HydrophobicContact CG2-CB 4.07Å; T85-E136 VanDerWaalsContact CG2-N 3.33Å; F88-E136 VanDerWaalsContact CD1-OE1 3.24Å; F88-E136 WeakPolarHBondContact CD1-OE1 3.42Å; F88-E136 WeakPolarHBondContact CE1-OE1 3.31Å; F88-E136 WeakPolarHBondContact CE1-OE2 3.45Å; L89-E136 HydrophobicContact CD1-CG 4.48Å; K92-E136 WeakPolarHBondContact CE-OE1 3.24Å; K92-E136 IonicContact NZ-OE1 2.71Å; K92-E136 PolarHBondContact NZ-OE1 3.17Å; K92-E136 IonicContact NZ-OE2 2.68Å; K92-E136 PolarHBondContact NZ-OE2 3.09Å; L132-E136 WeakPolarHBondContact O-CB 3.21Å; L132-E136 PolarHBondContact O-N 2.8Å; I134-E136 VanDerWaalsContact C-N 3.3Å; I134-E136 PolarHBondContact O-N 3.49Å; E136-I138 VanDerWaalsContact C-N 3.32Å; E136-I138 PolarHBondContact O-N 3.07Å; E136-V139 PolarHBondContact O-N 3.05Å; E136-L140 HydrophobicContact CG-CD1 4.11Å; E136-L140 WeakPolarHBondContact O-CB 3.4Å; E136-L140 PolarHBondContact O-N 2.94Å |
| 137 | S | 98.2 | Very high | 97.1 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 175.5 | -169 | 0 | 0 | 0 | 0 | 111.3 | V133 I134 L135 L140 Q141 | V133-S137 PolarHBondContact O-N 2.89Å; I134-S137 WeakPolarHBondContact O-CB 3.37Å; I134-S137 PolarHBondContact O-N 3.43Å; L135-S137 VanDerWaalsContact C-N 3.34Å; L135-S137 PolarHBondContact O-N 3.06Å; S137-L140 PolarHBondContact O-N 3.1Å; S137-Q141 WeakPolarHBondContact O-CB 3.27Å; S137-Q141 WeakPolarHBondContact O-CG 3.45Å; S137-Q141 PolarHBondContact O-N 2.99Å; S137-Q141 PolarHBondContact O-NE2 3.27Å; S137-Q141 PolarHBondContact OG-NE2 3.09Å |
| 138 | I | 98.4 | Very high | 97 | Very high | 47 Ų | 47 | 56.7 Ų | 56.7 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 176.1 | -63 | 168.3 | 0 | 0 | 0 | 111.1 | F68 F77 I134 L135 E136 T142 | F68-I138 HydrophobicContact CE2-CG2 4.22Å; F77-I138 HydrophobicContact CE1-CD1 4.3Å; F77-I138 HydrophobicContact CE1-CG2 4.43Å; F77-I138 HydrophobicContact CZ-CG2 4.22Å; I134-I138 HydrophobicContact CG2-CD1 3.94Å; I134-I138 WeakPolarHBondContact O-CG1 3.44Å; I134-I138 PolarHBondContact O-N 3.39Å; I134-I138 VanDerWaalsContact O-N 3.08Å; L135-I138 HydrophobicContact CD2-CD1 4.44Å; L135-I138 PolarHBondContact O-N 3.32Å; E136-I138 VanDerWaalsContact C-N 3.32Å; E136-I138 PolarHBondContact O-N 3.07Å; I138-T142 VanDerWaalsContact O-CB 3.23Å; I138-T142 WeakPolarHBondContact O-CB 3.44Å; I138-T142 PolarHBondContact O-N 3.2Å; I138-T142 PolarHBondContact O-OG1 2.91Å |
| 139 | V | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 176.3 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | F68 T85 T86 L89 L135 E136 Q141 T142 L143 | F68-V139 HydrophobicContact CD2-CB 4.4Å; F68-V139 HydrophobicContact CD2-CG2 3.76Å; F68-V139 HydrophobicContact CE2-CG2 3.76Å; T85-V139 HydrophobicContact CG2-CG2 4.03Å; T86-V139 HydrophobicContact CG2-CG1 4.23Å; T86-V139 HydrophobicContact CG2-CG2 4.36Å; L89-V139 HydrophobicContact CD2-CB 4.49Å; L89-V139 HydrophobicContact CD2-CG1 3.68Å; L135-V139 VanDerWaalsContact O-CG2 3.31Å; L135-V139 WeakPolarHBondContact O-CG2 3.44Å; L135-V139 PolarHBondContact O-N 2.87Å; E136-V139 PolarHBondContact O-N 3.05Å; V139-Q141 PolarHBondContact O-N 3.46Å; V139-T142 PolarHBondContact O-N 3.41Å; V139-L143 HydrophobicContact CG1-CD1 3.85Å; V139-L143 HydrophobicContact CG1-CG 4.41Å; V139-L143 WeakPolarHBondContact O-CG 3.5Å; V139-L143 PolarHBondContact O-N 3.47Å |
| 140 | L | 98 | Very high | 96.9 | Very high | 37 Ų | 37 | 59.1 Ų | 59.1 | 19% | 0.194 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.1 | -48.3 | 177.2 | -83.5 | 168.1 | 0 | 0 | 0 | 112.5 | L89 E136 S137 L143 G144 F145 I147 | L89-L140 HydrophobicContact CD1-CD1 4.27Å; L89-L140 HydrophobicContact CD1-CD2 3.82Å; L89-L140 HydrophobicContact CD1-CG 4.01Å; L89-L140 HydrophobicContact CD2-CD2 4.01Å; L89-L140 HydrophobicContact CD2-CG 4Å; E136-L140 HydrophobicContact CG-CD1 4.11Å; E136-L140 WeakPolarHBondContact O-CB 3.4Å; E136-L140 PolarHBondContact O-N 2.94Å; S137-L140 PolarHBondContact O-N 3.1Å; L140-L143 PolarHBondContact O-N 2.66Å; L140-G144 PolarHBondContact O-N 3.4Å; L140-F145 HydrophobicContact CB-CD1 4.23Å; L140-F145 HydrophobicContact CB-CE1 3.9Å; L140-F145 HydrophobicContact CB-CZ 4.48Å; L140-F145 HydrophobicContact CD2-CD1 4.09Å; L140-F145 HydrophobicContact CD2-CE1 4.41Å; L140-F145 PolarHBondContact O-N 3.05Å; L140-I147 HydrophobicContact CD2-CG2 3.76Å |
| 141 | Q | 97.9 | Very high | 96.8 | Very high | 118 Ų | 118 | 53.2 Ų | 53.2 | 55% | 0.551 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 177.1 | -69.4 | 171.6 | 46.9 | 0 | 0 | 111.8 | S137 V139 L143 G144 F145 | S137-Q141 WeakPolarHBondContact O-CB 3.27Å; S137-Q141 WeakPolarHBondContact O-CG 3.45Å; S137-Q141 PolarHBondContact O-N 2.99Å; S137-Q141 PolarHBondContact O-NE2 3.27Å; S137-Q141 PolarHBondContact OG-NE2 3.09Å; V139-Q141 PolarHBondContact O-N 3.46Å; Q141-L143 PolarHBondContact O-N 3.35Å; Q141-G144 WeakPolarHBondContact O-CA 3.46Å; Q141-G144 PolarHBondContact O-N 3.34Å; Q141-F145 HydrophobicContact CG-CE2 4.46Å; Q141-F145 HydrophobicContact CG-CZ 4.26Å |
| 142 | T | 97.4 | Very high | 96.8 | Very high | 24 Ų | 24 | 49.9 Ų | 49.9 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 178.1 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | W11 F68 Q71 H72 I138 V139 G144 | W11-T142 WeakPolarHBondContact CH2-O 3.44Å; F68-T142 HydrophobicContact CD2-CG2 3.93Å; F68-T142 HydrophobicContact CE2-CG2 4.47Å; Q71-T142 HydrophobicContact CB-CG2 3.72Å; Q71-T142 HydrophobicContact CG-CG2 3.84Å; H72-T142 PolarHBondContact NE2-OG1 2.82Å; I138-T142 VanDerWaalsContact O-CB 3.23Å; I138-T142 WeakPolarHBondContact O-CB 3.44Å; I138-T142 PolarHBondContact O-N 3.2Å; I138-T142 PolarHBondContact O-OG1 2.91Å; V139-T142 PolarHBondContact O-N 3.41Å; T142-G144 PolarHBondContact O-N 2.97Å |
| 143 | L | 96.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -8.5 | 173.8 | -64.4 | 171.9 | 0 | 0 | 0 | 112.4 | W11 Y64 R67 L89 V139 L140 Q141 F145 E146 | W11-L143 HydrophobicContact CH2-CD2 4.42Å; W11-L143 WeakPolarHBondContact CZ2-O 3.36Å; Y64-L143 HydrophobicContact CD1-CD1 3.53Å; Y64-L143 HydrophobicContact CD1-CD2 4.42Å; Y64-L143 HydrophobicContact CD2-CD1 4.43Å; Y64-L143 HydrophobicContact CE1-CD1 3.93Å; Y64-L143 HydrophobicContact CG-CD1 3.82Å; R67-L143 HydrophobicContact CB-CD2 3.63Å; R67-L143 HydrophobicContact CG-CD2 4.46Å; L89-L143 HydrophobicContact CD2-CD1 4.45Å; V139-L143 HydrophobicContact CG1-CD1 3.85Å; V139-L143 HydrophobicContact CG1-CG 4.41Å; V139-L143 WeakPolarHBondContact O-CG 3.5Å; V139-L143 PolarHBondContact O-N 3.47Å; L140-L143 PolarHBondContact O-N 2.66Å; Q141-L143 PolarHBondContact O-N 3.35Å; L143-F145 PolarHBondContact O-N 2.89Å; L143-E146 WeakPolarHBondContact O-CB 3.39Å; L143-E146 PolarHBondContact O-N 2.76Å; L143-E146 VanDerWaalsContact O-N 3.16Å |
| 144 | G | 95.4 | Very high | 96.7 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 33.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L140 Q141 T142 E146 | L140-G144 PolarHBondContact O-N 3.4Å; Q141-G144 WeakPolarHBondContact O-CA 3.46Å; Q141-G144 PolarHBondContact O-N 3.34Å; T142-G144 PolarHBondContact O-N 2.97Å; G144-E146 PolarHBondContact O-N 3.3Å; G144-E146 VanDerWaalsContact O-N 3.16Å |
| 145 | F | 95.3 | Very high | 96.6 | Very high | 134 Ų | 134 | 46.8 Ų | 46.8 | 59% | 0.588 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 14.7 | -172.7 | -55.8 | -90.1 | 0 | 0 | 0 | 115.4 | L140 Q141 L143 I147 | L140-F145 HydrophobicContact CB-CD1 4.23Å; L140-F145 HydrophobicContact CB-CE1 3.9Å; L140-F145 HydrophobicContact CB-CZ 4.48Å; L140-F145 HydrophobicContact CD2-CD1 4.09Å; L140-F145 HydrophobicContact CD2-CE1 4.41Å; L140-F145 PolarHBondContact O-N 3.05Å; Q141-F145 HydrophobicContact CG-CE2 4.46Å; Q141-F145 HydrophobicContact CG-CZ 4.26Å; L143-F145 PolarHBondContact O-N 2.89Å; F145-I147 VanDerWaalsContact C-N 3.25Å; F145-I147 PolarHBondContact O-N 3.44Å |
| 146 | E | 94.1 | Very high | 96.5 | Very high | 65 Ų | 65 | 46.4 Ų | 46.4 | 30% | 0.304 | 26% | 0.255 | S | S | . | . | trans | -77.6 | 76.1 | 171.1 | -165.1 | -168.4 | 127.3 | 0 | 0 | 110.7 | W11 R67 L143 G144 | W11-E146 VanDerWaalsContact CD1-CD 3.46Å; W11-E146 VanDerWaalsContact NE1-CD 3.26Å; W11-E146 PolarHBondContact NE1-OE1 2.76Å; W11-E146 PolarHBondContact NE1-OE2 3.38Å; R67-E146 IonicContact CZ-OE1 2.66Å; R67-E146 VanDerWaalsContact CZ-OE1 3.24Å; R67-E146 IonicContact NH1-OE1 3.28Å; R67-E146 PolarHBondContact NH1-OE1 2.95Å; R67-E146 IonicContact NH2-OE1 3.74Å; R67-E146 PolarHBondContact NH2-OE1 2.94Å; L143-E146 WeakPolarHBondContact O-CB 3.39Å; L143-E146 PolarHBondContact O-N 2.76Å; L143-E146 VanDerWaalsContact O-N 3.16Å; G144-E146 PolarHBondContact O-N 3.3Å; G144-E146 VanDerWaalsContact O-N 3.16Å | ||
| 147 | I | 94.3 | Very high | 96.4 | Very high | 57 Ų | 57 | 48.2 Ų | 48.2 | 29% | 0.292 | 27% | 0.268 | S | S | . | . | trans | -89.9 | -18.9 | -174.5 | 54.7 | 170.6 | 0 | 0 | 0 | 114.3 | Y64 V93 L140 F145 I149 | Y64-I147 PolarHBondContact OH-O 3.01Å; V93-I147 HydrophobicContact CG1-CB 4.23Å; V93-I147 HydrophobicContact CG1-CD1 4.29Å; V93-I147 HydrophobicContact CG1-CG1 4.44Å; V93-I147 HydrophobicContact CG2-CB 4.11Å; V93-I147 HydrophobicContact CG2-CD1 3.97Å; V93-I147 HydrophobicContact CG2-CG2 4.45Å; L140-I147 HydrophobicContact CD2-CG2 3.76Å; F145-I147 VanDerWaalsContact C-N 3.25Å; F145-I147 PolarHBondContact O-N 3.44Å; I147-I149 PolarHBondContact O-N 3.37Å | ||
| 148 | T | 94.2 | Very high | 96.2 | Very high | 113 Ų | 113 | 50.8 Ų | 50.8 | 69% | 0.693 | 27% | 0.272 | S | S | * | . | trans | -78 | 118.6 | 176.2 | -50.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 149 | I | 95.1 | Very high | 95.9 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 9% | 0.092 | 26% | 0.262 | C | S | . | . | trans | -116.6 | 118.3 | -177.6 | -57.6 | -58.2 | 0 | 0 | 0 | 110.5 | T60 V63 Y64 I147 H151 | T60-I149 HydrophobicContact CG2-CB 4.4Å; T60-I149 HydrophobicContact CG2-CG1 4.06Å; V63-I149 HydrophobicContact CB-CG2 3.95Å; V63-I149 HydrophobicContact CG1-CD1 3.96Å; V63-I149 HydrophobicContact CG1-CG1 4.31Å; V63-I149 HydrophobicContact CG1-CG2 3.77Å; V63-I149 HydrophobicContact CG2-CG2 4.03Å; Y64-I149 HydrophobicContact CD1-CD1 4.25Å; Y64-I149 HydrophobicContact CD1-CG1 4.12Å; Y64-I149 HydrophobicContact CE1-CD1 3.96Å; Y64-I149 HydrophobicContact CE1-CG1 3.62Å; I147-I149 PolarHBondContact O-N 3.37Å; I149-H151 PolarHBondContact O-CD2 3.15Å | ||
| 150 | D | 95.3 | Very high | 95.7 | Very high | 121 Ų | 121 | 49.2 Ų | 49.2 | 65% | 0.647 | 27% | 0.265 | S | S | * | . | trans | -77.3 | 131.8 | 168.4 | -70.1 | -51 | 0 | 0 | 0 | 110.4 | P192 | D150-P192 HydrophobicContact CB-CG 3.92Å; D150-P192 WeakPolarHBondContact O-CG 3.49Å | ||
| 151 | H | 96.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 3% | 0.032 | 29% | 0.287 | C | S | . | . | trans | -113.7 | 142.6 | -176.5 | -73.4 | -76.7 | 0 | 0 | 0 | 113.2 | L56 N59 T60 I149 H153 T154 | L56-H151 VanDerWaalsContact CD1-CD2 3.42Å; L56-H151 WeakPolarHBondContact CD1-CD2 3.28Å; N59-H151 VanDerWaalsContact C-CE1 3.4Å; T60-H151 PolarHBondContact N-CE1 3.01Å; T60-H151 PolarHBondContact OG1-NE2 2.99Å; I149-H151 PolarHBondContact O-CD2 3.15Å; H151-H153 PolarHBondContact O-N 3.04Å; H151-H153 VanDerWaalsContact O-N 3.12Å; H151-T154 PolarHBondContact O-N 3.17Å | ||
| 152 | P | 97.3 | Very high | 95 | Very high | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.3 | -26.7 | -179.3 | 23.9 | -34.2 | 0 | 0 | 0 | 113.2 | T154 D155 V156 A177 P192 I195 A196 | P152-T154 PolarHBondContact O-N 3.34Å; P152-D155 PolarHBondContact O-N 3.13Å; P152-D155 VanDerWaalsContact O-N 3.13Å; P152-V156 WeakPolarHBondContact O-CG2 3.38Å; P152-V156 PolarHBondContact O-N 3.16Å; P152-A177 HydrophobicContact CB-CB 4.36Å; P152-A177 HydrophobicContact CG-CB 4.14Å; P152-P192 WeakPolarHBondContact CB-O 3.3Å; P152-I195 HydrophobicContact CB-CB 4Å; P152-I195 HydrophobicContact CB-CG2 3.84Å; P152-I195 HydrophobicContact CG-CB 4.46Å; P152-I195 HydrophobicContact CG-CG2 3.93Å; P152-A196 HydrophobicContact CB-CB 4.23Å; P152-A196 WeakPolarHBondContact O-CB 3.45Å |
| 153 | H | 97.4 | Very high | 94.6 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.046 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -52.5 | -36.6 | 177 | -58.7 | 79.2 | 0 | 0 | 0 | 113.5 | N59 H151 V156 V157 Y174 A177 T178 | N59-H153 PolarHBondContact ND2-CE1 3.26Å; N59-H153 PolarHBondContact ND2-ND1 2.83Å; N59-H153 PolarHBondContact ND2-NE2 2.68Å; H151-H153 PolarHBondContact O-N 3.04Å; H151-H153 VanDerWaalsContact O-N 3.12Å; H153-V156 PolarHBondContact O-N 2.93Å; H153-V157 WeakPolarHBondContact O-CG2 3.36Å; H153-V157 PolarHBondContact O-N 3.12Å; H153-V157 VanDerWaalsContact O-N 3.09Å; H153-Y174 HydrophobicContact CB-CD2 4.14Å; H153-Y174 HydrophobicContact CB-CE2 3.7Å; H153-Y174 AromaticContact CD2-CD1 3.79Å; H153-Y174 AromaticContact CD2-CD2 3.85Å; H153-Y174 AromaticContact CD2-CE1 3.59Å; H153-Y174 AromaticContact CD2-CE2 3.68Å; H153-Y174 AromaticContact CD2-CG 3.91Å; H153-Y174 AromaticContact CD2-CZ 3.52Å; H153-Y174 PolarHBondContact NE2-O 3.39Å; H153-A177 VanDerWaalsContact CE1-C 3.42Å; H153-A177 PolarHBondContact CE1-O 2.78Å; H153-A177 VanDerWaalsContact NE2-C 3.34Å; H153-T178 PolarHBondContact NE2-N 2.98Å; H153-T178 VanDerWaalsContact NE2-N 3.15Å; H153-T178 PolarHBondContact NE2-OG1 2.99Å |
| 154 | T | 95.9 | Very high | 94.3 | Very high | 79 Ų | 79 | 66.6 Ų | 66.6 | 49% | 0.485 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 178.8 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | H151 P152 V157 K158 | H151-T154 PolarHBondContact O-N 3.17Å; P152-T154 PolarHBondContact O-N 3.34Å; T154-V157 PolarHBondContact O-N 3.07Å; T154-K158 WeakPolarHBondContact O-CG 3.3Å; T154-K158 PolarHBondContact O-N 3.18Å |
| 155 | D | 96.1 | Very high | 94.1 | Very high | 22 Ų | 22 | 65.7 Ų | 65.7 | 12% | 0.118 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -79.9 | -26.7 | -179 | -59.4 | -44.6 | 0 | 0 | 0 | 112.4 | P152 V157 K158 C159 A196 V224 | P152-D155 PolarHBondContact O-N 3.13Å; P152-D155 VanDerWaalsContact O-N 3.13Å; D155-V157 VanDerWaalsContact C-N 3.34Å; D155-K158 PolarHBondContact O-N 3.38Å; D155-K158 WeakPolarHBondContact OD1-CD 3.32Å; D155-K158 WeakPolarHBondContact OD1-CE 3.45Å; D155-K158 IonicContact OD1-NZ 3.21Å; D155-K158 PolarHBondContact OD1-NZ 3.11Å; D155-C159 VanDerWaalsContact O-CB 3.24Å; D155-C159 WeakPolarHBondContact O-CB 3.38Å; D155-C159 PolarHBondContact O-N 3.09Å; D155-A196 HydrophobicContact CB-CB 3.82Å; D155-V224 HydrophobicContact CB-CG1 4.28Å |
| 156 | V | 96.6 | Very high | 94 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 167 | 169.8 | 0 | 0 | 0 | 0 | 111 | P152 H153 T160 A177 A196 C199 I200 | P152-V156 WeakPolarHBondContact O-CG2 3.38Å; P152-V156 PolarHBondContact O-N 3.16Å; H153-V156 PolarHBondContact O-N 2.93Å; V156-T160 HydrophobicContact CG1-CG2 4.33Å; V156-T160 WeakPolarHBondContact O-CB 3.25Å; V156-T160 VanDerWaalsContact O-CG2 3.28Å; V156-T160 WeakPolarHBondContact O-CG2 3.18Å; V156-T160 PolarHBondContact O-N 3.19Å; V156-T160 PolarHBondContact O-OG1 3.18Å; V156-A177 HydrophobicContact CG2-CB 4.25Å; V156-A196 HydrophobicContact CG2-CB 3.71Å; V156-C199 HydrophobicContact CG2-CB 4.48Å; V156-I200 HydrophobicContact CG1-CG1 4.43Å; V156-I200 HydrophobicContact CG2-CG1 4.37Å |
| 157 | V | 95.6 | Very high | 93.9 | Very high | 60 Ų | 60 | 67.8 Ų | 67.8 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.3 | -50.1 | 178.4 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | H153 T154 D155 C159 T160 Q161 Y174 | H153-V157 WeakPolarHBondContact O-CG2 3.36Å; H153-V157 PolarHBondContact O-N 3.12Å; H153-V157 VanDerWaalsContact O-N 3.09Å; T154-V157 PolarHBondContact O-N 3.07Å; D155-V157 VanDerWaalsContact C-N 3.34Å; V157-C159 PolarHBondContact O-N 3.36Å; V157-T160 PolarHBondContact O-N 2.85Å; V157-T160 PolarHBondContact O-OG1 3.07Å; V157-Q161 WeakPolarHBondContact O-CB 3.3Å; V157-Q161 VanDerWaalsContact O-CG 3.31Å; V157-Q161 WeakPolarHBondContact O-CG 3.4Å; V157-Q161 PolarHBondContact O-N 3.44Å; V157-Q161 VanDerWaalsContact O-N 3.09Å; V157-Y174 HydrophobicContact CG2-CD2 4.28Å |
| 158 | K | 94.1 | Very high | 93.7 | Very high | 109 Ų | 109 | 68 Ų | 68 | 47% | 0.474 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -53.6 | -54 | 176.1 | -65.6 | 171 | -166.2 | 159.9 | 0 | 111.6 | T154 D155 Q161 L162 | T154-K158 WeakPolarHBondContact O-CG 3.3Å; T154-K158 PolarHBondContact O-N 3.18Å; D155-K158 PolarHBondContact O-N 3.38Å; D155-K158 WeakPolarHBondContact OD1-CD 3.32Å; D155-K158 WeakPolarHBondContact OD1-CE 3.45Å; D155-K158 IonicContact OD1-NZ 3.21Å; D155-K158 PolarHBondContact OD1-NZ 3.11Å; K158-Q161 PolarHBondContact O-N 3.32Å; K158-L162 VanDerWaalsContact O-CG 3.31Å; K158-L162 WeakPolarHBondContact O-CG 3.43Å; K158-L162 PolarHBondContact O-N 3.36Å |
| 159 | C | 93.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 62.9 Ų | 62.9 | 3% | 0.027 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.8 | -43.5 | -174.5 | -174.9 | 0 | 0 | 0 | 0 | 112 | D155 V157 Q161 L162 V163 I200 W220 V224 | D155-C159 VanDerWaalsContact O-CB 3.24Å; D155-C159 WeakPolarHBondContact O-CB 3.38Å; D155-C159 PolarHBondContact O-N 3.09Å; V157-C159 PolarHBondContact O-N 3.36Å; C159-Q161 VanDerWaalsContact C-N 3.3Å; C159-Q161 PolarHBondContact O-N 2.8Å; C159-L162 PolarHBondContact O-N 3.03Å; C159-V163 WeakPolarHBondContact O-CG2 3.48Å; C159-V163 PolarHBondContact O-N 3.29Å; C159-I200 HydrophobicContact CB-CD1 3.59Å; C159-W220 VanDerWaalsContact SG-CE3 3.55Å; C159-V224 HydrophobicContact CB-CG2 3.75Å; C159-V224 VanDerWaalsContact SG-CG2 3.57Å |
| 160 | T | 93.3 | Very high | 93.5 | Very high | 10 Ų | 10 | 63.3 Ų | 63.3 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.4 | -31.4 | 179.9 | 53.1 | 0 | 0 | 0 | 0 | 112.7 | V156 V157 R164 A165 A170 I200 | V156-T160 HydrophobicContact CG1-CG2 4.33Å; V156-T160 WeakPolarHBondContact O-CB 3.25Å; V156-T160 VanDerWaalsContact O-CG2 3.28Å; V156-T160 WeakPolarHBondContact O-CG2 3.18Å; V156-T160 PolarHBondContact O-N 3.19Å; V156-T160 PolarHBondContact O-OG1 3.18Å; V157-T160 PolarHBondContact O-N 2.85Å; V157-T160 PolarHBondContact O-OG1 3.07Å; T160-R164 PolarHBondContact O-N 2.84Å; T160-A165 HydrophobicContact CG2-CB 4.24Å; T160-A165 WeakPolarHBondContact O-CB 3.44Å; T160-A165 PolarHBondContact O-N 3.49Å; T160-A170 HydrophobicContact CG2-CB 4.26Å; T160-I200 HydrophobicContact CG2-CD1 4.14Å; T160-I200 HydrophobicContact CG2-CG1 4.18Å |
| 161 | Q | 92.5 | Very high | 93.4 | Very high | 140 Ų | 140 | 61.3 Ų | 61.3 | 65% | 0.654 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.6 | -47.6 | 169.4 | -71.4 | 171.9 | -9.4 | 0 | 0 | 111.9 | V157 K158 C159 V163 R164 | V157-Q161 WeakPolarHBondContact O-CB 3.3Å; V157-Q161 VanDerWaalsContact O-CG 3.31Å; V157-Q161 WeakPolarHBondContact O-CG 3.4Å; V157-Q161 PolarHBondContact O-N 3.44Å; V157-Q161 VanDerWaalsContact O-N 3.09Å; K158-Q161 PolarHBondContact O-N 3.32Å; C159-Q161 VanDerWaalsContact C-N 3.3Å; C159-Q161 PolarHBondContact O-N 2.8Å; Q161-V163 PolarHBondContact O-N 3.2Å; Q161-R164 PolarHBondContact O-N 3.09Å; Q161-R164 VanDerWaalsContact O-N 3.08Å |
| 162 | L | 89.3 | Confident | 93.2 | Very high | 136 Ų | 136 | 61.1 Ų | 61.1 | 71% | 0.712 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59.6 | -44.7 | -179.4 | -73.6 | 168.1 | 0 | 0 | 0 | 112.7 | K158 C159 R164 | K158-L162 VanDerWaalsContact O-CG 3.31Å; K158-L162 WeakPolarHBondContact O-CG 3.43Å; K158-L162 PolarHBondContact O-N 3.36Å; C159-L162 PolarHBondContact O-N 3.03Å; L162-R164 PolarHBondContact O-N 3.42Å |
| 163 | V | 89.4 | Confident | 93.1 | Very high | 38 Ų | 38 | 60.9 Ų | 60.9 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 6.2 | 178 | -51.8 | 0 | 0 | 0 | 0 | 113.5 | C159 Q161 A165 W209 I211 W220 | C159-V163 WeakPolarHBondContact O-CG2 3.48Å; C159-V163 PolarHBondContact O-N 3.29Å; Q161-V163 PolarHBondContact O-N 3.2Å; V163-A165 VanDerWaalsContact C-N 3.26Å; V163-A165 HydrophobicContact CG2-CB 4.06Å; V163-A165 PolarHBondContact O-N 3.15Å; V163-W209 HydrophobicContact CB-CH2 4.49Å; V163-W209 HydrophobicContact CG2-CH2 3.88Å; V163-W209 HydrophobicContact CG2-CZ3 4.31Å; V163-I211 HydrophobicContact CB-CG2 4.11Å; V163-I211 HydrophobicContact CG1-CD1 4.47Å; V163-I211 HydrophobicContact CG1-CG2 3.87Å; V163-I211 HydrophobicContact CG2-CD1 4.22Å; V163-I211 HydrophobicContact CG2-CG1 4.36Å; V163-W220 HydrophobicContact CG1-CB 4.18Å |
| 164 | R | 89.9 | Confident | 93 | Very high | 230 Ų | 230 | 64.8 Ų | 64.8 | 87% | 0.868 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 41.3 | -177.5 | -58 | -179.5 | 178.3 | 176.1 | -0.9 | 113.4 | T160 Q161 L162 | T160-R164 PolarHBondContact O-N 2.84Å; Q161-R164 PolarHBondContact O-N 3.09Å; Q161-R164 VanDerWaalsContact O-N 3.08Å; L162-R164 PolarHBondContact O-N 3.42Å |
| 165 | A | 90.8 | Very high | 92.9 | Very high | 21 Ų | 21 | 63.1 Ų | 63.1 | 17% | 0.174 | 31% | 0.307 | C | S | . | . | trans | -61.4 | 152.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T160 V163 L169 W209 | T160-A165 HydrophobicContact CG2-CB 4.24Å; T160-A165 WeakPolarHBondContact O-CB 3.44Å; T160-A165 PolarHBondContact O-N 3.49Å; V163-A165 VanDerWaalsContact C-N 3.26Å; V163-A165 HydrophobicContact CG2-CB 4.06Å; V163-A165 PolarHBondContact O-N 3.15Å; A165-L169 HydrophobicContact CB-CD2 4.03Å; A165-W209 HydrophobicContact CB-CH2 4.21Å; A165-W209 HydrophobicContact CB-CZ3 4.38Å | ||
| 166 | S | 92.7 | Very high | 92.8 | Very high | 68 Ų | 68 | 62.1 Ų | 62.1 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | trans | -66.7 | 153.4 | 173 | 70.6 | 0 | 0 | 0 | 0 | 112 | D168 L169 A170 | S166-D168 PolarHBondContact O-N 2.89Å; S166-L169 PolarHBondContact O-N 3.44Å; S166-L169 VanDerWaalsContact O-N 3.09Å; S166-L169 WeakPolarHBondContact OG-CB 3.49Å; S166-L169 PolarHBondContact OG-N 3.34Å; S166-A170 PolarHBondContact O-N 3.44Å | ||
| 167 | K | 91.3 | Very high | 92.9 | Very high | 175 Ų | 175 | 62.1 Ų | 62.1 | 76% | 0.761 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -55.6 | -40.9 | 176.6 | -67 | -174.1 | 178.2 | -176 | 0 | 111.7 | L169 A170 Q171 | K167-L169 VanDerWaalsContact C-N 3.33Å; K167-L169 PolarHBondContact O-N 3.07Å; K167-A170 PolarHBondContact O-N 2.99Å; K167-Q171 WeakPolarHBondContact O-CB 3.41Å; K167-Q171 WeakPolarHBondContact O-CG 3.47Å; K167-Q171 PolarHBondContact O-N 3.08Å |
| 168 | D | 90.1 | Very high | 92.9 | Very high | 63 Ų | 63 | 59.9 Ų | 59.9 | 34% | 0.337 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -41 | 177.2 | -56.7 | -14.5 | 0 | 0 | 0 | 112.5 | S166 T172 K265 | S166-D168 PolarHBondContact O-N 2.89Å; D168-T172 WeakPolarHBondContact O-CB 3.41Å; D168-T172 PolarHBondContact O-N 3.44Å; D168-T172 PolarHBondContact O-OG1 3.09Å; D168-K265 WeakPolarHBondContact OD2-CE 3.38Å; D168-K265 IonicContact OD2-NZ 2.76Å; D168-K265 PolarHBondContact OD2-NZ 3.28Å |
| 169 | L | 91.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.6 | -45.5 | 179.2 | -176.1 | 68.5 | 0 | 0 | 0 | 111 | A165 S166 K167 Q171 T172 S173 A203 S207 W209 | A165-L169 HydrophobicContact CB-CD2 4.03Å; S166-L169 PolarHBondContact O-N 3.44Å; S166-L169 VanDerWaalsContact O-N 3.09Å; S166-L169 WeakPolarHBondContact OG-CB 3.49Å; S166-L169 PolarHBondContact OG-N 3.34Å; K167-L169 VanDerWaalsContact C-N 3.33Å; K167-L169 PolarHBondContact O-N 3.07Å; L169-Q171 VanDerWaalsContact C-N 3.31Å; L169-Q171 PolarHBondContact O-N 3.48Å; L169-T172 CarbonylContact O-C 3.56Å; L169-T172 WeakPolarHBondContact O-CA 3.37Å; L169-T172 WeakPolarHBondContact O-CB 3.46Å; L169-T172 PolarHBondContact O-N 2.9Å; L169-S173 PolarHBondContact O-N 3.15Å; L169-S173 PolarHBondContact O-OG 3.48Å; L169-S173 VanDerWaalsContact O-OG 3.09Å; L169-A203 VanDerWaalsContact CD1-C 3.48Å; L169-A203 HydrophobicContact CD1-CB 3.71Å; L169-A203 VanDerWaalsContact CD1-O 3.28Å; L169-A203 WeakPolarHBondContact CD1-O 3.38Å; L169-S207 WeakPolarHBondContact CD1-OG 3.47Å; L169-W209 HydrophobicContact CD2-CD2 4Å; L169-W209 HydrophobicContact CD2-CE3 3.1Å; L169-W209 HydrophobicContact CD2-CH2 4.18Å; L169-W209 HydrophobicContact CD2-CZ3 3.19Å |
| 170 | A | 93.8 | Very high | 93.1 | Very high | 27 Ų | 27 | 54.6 Ų | 54.6 | 22% | 0.223 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.1 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T160 S166 K167 S173 Y174 | T160-A170 HydrophobicContact CG2-CB 4.26Å; S166-A170 PolarHBondContact O-N 3.44Å; K167-A170 PolarHBondContact O-N 2.99Å; A170-S173 PolarHBondContact O-N 3.44Å; A170-Y174 WeakPolarHBondContact O-CB 3.49Å; A170-Y174 PolarHBondContact O-N 3.5Å |
| 171 | Q | 92.6 | Very high | 93.3 | Very high | 79 Ų | 79 | 54.2 Ų | 54.2 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 172.4 | -71.3 | -178.9 | 10 | 0 | 0 | 112.5 | K167 L169 F175 W257 | K167-Q171 WeakPolarHBondContact O-CB 3.41Å; K167-Q171 WeakPolarHBondContact O-CG 3.47Å; K167-Q171 PolarHBondContact O-N 3.08Å; L169-Q171 VanDerWaalsContact C-N 3.31Å; L169-Q171 PolarHBondContact O-N 3.48Å; Q171-F175 VanDerWaalsContact O-CB 3.28Å; Q171-F175 WeakPolarHBondContact O-CB 3.46Å; Q171-F175 PolarHBondContact O-N 3.48Å; Q171-W257 HydrophobicContact CB-CH2 3.82Å; Q171-W257 HydrophobicContact CB-CZ2 4.13Å |
| 172 | T | 92.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.1 | -51.3 | 173.8 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | D168 L169 Y174 F175 M176 A203 R258 | D168-T172 WeakPolarHBondContact O-CB 3.41Å; D168-T172 PolarHBondContact O-N 3.44Å; D168-T172 PolarHBondContact O-OG1 3.09Å; L169-T172 CarbonylContact O-C 3.56Å; L169-T172 WeakPolarHBondContact O-CA 3.37Å; L169-T172 WeakPolarHBondContact O-CB 3.46Å; L169-T172 PolarHBondContact O-N 2.9Å; T172-Y174 PolarHBondContact O-N 3.15Å; T172-F175 WeakPolarHBondContact O-CB 3.43Å; T172-F175 PolarHBondContact O-N 3.12Å; T172-M176 HydrophobicContact CG2-CE 3.59Å; T172-M176 HydrophobicContact CG2-CG 4.43Å; T172-M176 WeakPolarHBondContact O-CG 3.39Å; T172-M176 PolarHBondContact O-N 2.94Å; T172-A203 HydrophobicContact CG2-CB 3.58Å; T172-R258 VanDerWaalsContact CG2-NH2 3.32Å; T172-R258 PolarHBondContact OG1-NH2 2.84Å; T172-R258 VanDerWaalsContact OG1-NH2 3.11Å |
| 173 | S | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -42.5 | -178.6 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | L169 A170 F175 M176 A177 A203 | L169-S173 PolarHBondContact O-N 3.15Å; L169-S173 PolarHBondContact O-OG 3.48Å; L169-S173 VanDerWaalsContact O-OG 3.09Å; A170-S173 PolarHBondContact O-N 3.44Å; S173-F175 VanDerWaalsContact C-N 3.34Å; S173-F175 PolarHBondContact O-N 3.17Å; S173-M176 PolarHBondContact O-N 3.24Å; S173-A177 PolarHBondContact O-N 3.22Å; S173-A203 VanDerWaalsContact OG-CB 3.27Å; S173-A203 WeakPolarHBondContact OG-CB 3.48Å |
| 174 | Y | 95.7 | Very high | 94.1 | Very high | 91 Ų | 91 | 39.5 Ų | 39.5 | 36% | 0.357 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 175.6 | -170.5 | -78 | 0 | 0 | 0 | 111.2 | H153 V157 A170 T172 A177 T178 | H153-Y174 HydrophobicContact CB-CD2 4.14Å; H153-Y174 HydrophobicContact CB-CE2 3.7Å; H153-Y174 AromaticContact CD2-CD1 3.79Å; H153-Y174 AromaticContact CD2-CD2 3.85Å; H153-Y174 AromaticContact CD2-CE1 3.59Å; H153-Y174 AromaticContact CD2-CE2 3.68Å; H153-Y174 AromaticContact CD2-CG 3.91Å; H153-Y174 AromaticContact CD2-CZ 3.52Å; H153-Y174 PolarHBondContact NE2-O 3.39Å; V157-Y174 HydrophobicContact CG2-CD2 4.28Å; A170-Y174 WeakPolarHBondContact O-CB 3.49Å; A170-Y174 PolarHBondContact O-N 3.5Å; T172-Y174 PolarHBondContact O-N 3.15Å; Y174-A177 PolarHBondContact O-N 3.45Å; Y174-T178 PolarHBondContact O-N 3.23Å; Y174-T178 PolarHBondContact O-OG1 3.33Å |
| 175 | F | 93.3 | Very high | 94.4 | Very high | 45 Ų | 45 | 29.7 Ų | 29.7 | 20% | 0.197 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 174.2 | -179.7 | -85 | 0 | 0 | 0 | 111.7 | Q171 T172 S173 A177 T178 N179 I254 | Q171-F175 VanDerWaalsContact O-CB 3.28Å; Q171-F175 WeakPolarHBondContact O-CB 3.46Å; Q171-F175 PolarHBondContact O-N 3.48Å; T172-F175 WeakPolarHBondContact O-CB 3.43Å; T172-F175 PolarHBondContact O-N 3.12Å; S173-F175 VanDerWaalsContact C-N 3.34Å; S173-F175 PolarHBondContact O-N 3.17Å; F175-A177 VanDerWaalsContact C-N 3.32Å; F175-A177 PolarHBondContact O-N 3.07Å; F175-T178 PolarHBondContact O-N 2.9Å; F175-N179 VanDerWaalsContact CD1-ND2 3.34Å; F175-N179 WeakPolarHBondContact CD1-ND2 3.34Å; F175-N179 WeakPolarHBondContact CE1-ND2 3.45Å; F175-N179 VanDerWaalsContact CZ-ND2 3.28Å; F175-N179 WeakPolarHBondContact CZ-ND2 3.06Å; F175-N179 PolarHBondContact O-N 3.09Å; F175-N179 VanDerWaalsContact O-N 3.09Å; F175-N179 PolarHBondContact O-ND2 3.5Å; F175-I254 HydrophobicContact CD1-CG2 4.41Å; F175-I254 HydrophobicContact CE1-CB 4.25Å; F175-I254 HydrophobicContact CE1-CD1 3.75Å; F175-I254 HydrophobicContact CE1-CG1 3.61Å; F175-I254 HydrophobicContact CE1-CG2 3.96Å; F175-I254 HydrophobicContact CZ-CG1 4.03Å |
| 176 | M | 94.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 174.2 | -64 | -46.2 | 149.4 | 0 | 0 | 111.7 | T172 S173 T178 N179 S180 C199 L202 W206 F240 I254 | T172-M176 HydrophobicContact CG2-CE 3.59Å; T172-M176 HydrophobicContact CG2-CG 4.43Å; T172-M176 WeakPolarHBondContact O-CG 3.39Å; T172-M176 PolarHBondContact O-N 2.94Å; S173-M176 PolarHBondContact O-N 3.24Å; M176-T178 VanDerWaalsContact C-N 3.28Å; M176-T178 PolarHBondContact O-N 2.93Å; M176-N179 CarbonylContact O-C 3.45Å; M176-N179 WeakPolarHBondContact O-CA 3.44Å; M176-N179 PolarHBondContact O-N 3.33Å; M176-S180 PolarHBondContact O-N 3.19Å; M176-C199 HydrophobicContact CB-CB 3.87Å; M176-L202 HydrophobicContact CG-CD2 4.29Å; M176-L202 HydrophobicContact SD-CD2 4.19Å; M176-W206 HydrophobicContact CE-CE3 3.62Å; M176-W206 HydrophobicContact CE-CH2 4.46Å; M176-W206 HydrophobicContact CE-CZ3 3.43Å; M176-W206 VanDerWaalsContact CE-CZ3 3.43Å; M176-W206 HydrophobicContact SD-CE3 4.5Å; M176-W206 HydrophobicContact SD-CZ3 4.15Å; M176-F240 HydrophobicContact CB-CE1 4.25Å; M176-I254 HydrophobicContact CE-CG2 4Å |
| 177 | A | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.4 | -30.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P152 H153 V156 S173 Y174 F175 S180 C199 | P152-A177 HydrophobicContact CB-CB 4.36Å; P152-A177 HydrophobicContact CG-CB 4.14Å; H153-A177 VanDerWaalsContact CE1-C 3.42Å; H153-A177 PolarHBondContact CE1-O 2.78Å; H153-A177 VanDerWaalsContact NE2-C 3.34Å; V156-A177 HydrophobicContact CG2-CB 4.25Å; S173-A177 PolarHBondContact O-N 3.22Å; Y174-A177 PolarHBondContact O-N 3.45Å; F175-A177 VanDerWaalsContact C-N 3.32Å; F175-A177 PolarHBondContact O-N 3.07Å; A177-S180 PolarHBondContact O-OG 2.89Å; A177-S180 VanDerWaalsContact O-OG 3.07Å; A177-C199 VanDerWaalsContact CA-SG 3.52Å; A177-C199 HydrophobicContact CB-CB 4.33Å; A177-C199 PolarHBondContact N-SG 2.8Å |
| 178 | T | 95.8 | Very high | 95.2 | Very high | 13 Ų | 13 | 18 Ų | 18 | 8% | 0.08 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -74.4 | -30.4 | 170 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | H153 Y174 F175 M176 H182 | H153-T178 PolarHBondContact NE2-N 2.98Å; H153-T178 VanDerWaalsContact NE2-N 3.15Å; H153-T178 PolarHBondContact NE2-OG1 2.99Å; Y174-T178 PolarHBondContact O-N 3.23Å; Y174-T178 PolarHBondContact O-OG1 3.33Å; F175-T178 PolarHBondContact O-N 2.9Å; M176-T178 VanDerWaalsContact C-N 3.28Å; M176-T178 PolarHBondContact O-N 2.93Å; T178-H182 PolarHBondContact O-CD2 3.48Å; T178-H182 PolarHBondContact O-N 2.88Å |
| 179 | N | 94.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -80 | -28.6 | -179.3 | -76.4 | -97.3 | 0 | 0 | 0 | 112.9 | F175 M176 H182 L183 F240 R250 | F175-N179 VanDerWaalsContact CD1-ND2 3.34Å; F175-N179 WeakPolarHBondContact CD1-ND2 3.34Å; F175-N179 WeakPolarHBondContact CE1-ND2 3.45Å; F175-N179 VanDerWaalsContact CZ-ND2 3.28Å; F175-N179 WeakPolarHBondContact CZ-ND2 3.06Å; F175-N179 PolarHBondContact O-N 3.09Å; F175-N179 VanDerWaalsContact O-N 3.09Å; F175-N179 PolarHBondContact O-ND2 3.5Å; M176-N179 CarbonylContact O-C 3.45Å; M176-N179 WeakPolarHBondContact O-CA 3.44Å; M176-N179 PolarHBondContact O-N 3.33Å; N179-H182 PolarHBondContact O-N 2.95Å; N179-L183 HydrophobicContact CB-CD1 4.37Å; N179-L183 VanDerWaalsContact O-CB 3.28Å; N179-L183 WeakPolarHBondContact O-CB 3.1Å; N179-L183 WeakPolarHBondContact O-CG 3.44Å; N179-L183 PolarHBondContact O-N 2.97Å; N179-F240 HydrophobicContact CB-CE2 4.34Å; N179-F240 HydrophobicContact CB-CZ 3.92Å; N179-R250 PolarHBondContact OD1-NE 2.98Å; N179-R250 PolarHBondContact OD1-NH2 2.93Å |
| 180 | S | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.007 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64 | -45 | 173.2 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | M176 A177 H182 L183 T184 F240 | M176-S180 PolarHBondContact O-N 3.19Å; A177-S180 PolarHBondContact O-OG 2.89Å; A177-S180 VanDerWaalsContact O-OG 3.07Å; S180-H182 VanDerWaalsContact C-N 3.28Å; S180-H182 PolarHBondContact O-N 3.19Å; S180-L183 PolarHBondContact O-N 2.37Å; S180-T184 WeakPolarHBondContact O-CB 2.61Å; S180-T184 PolarHBondContact O-N 3.45Å; S180-T184 PolarHBondContact O-OG1 2.93Å; S180-F240 VanDerWaalsContact N-CZ 3.33Å |
| 181 | L | 97.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.3 | -34.8 | 172.8 | -65.3 | -178.6 | 0 | 0 | 0 | 113.6 | N59 I62 V63 H66 C187 | N59-L181 HydrophobicContact CB-CD1 3.62Å; I62-L181 HydrophobicContact CG2-CB 4.13Å; I62-L181 VanDerWaalsContact CG2-O 3.25Å; I62-L181 WeakPolarHBondContact CG2-O 3.47Å; V63-L181 HydrophobicContact CG2-CD2 3.85Å; H66-L181 PolarHBondContact NE2-O 2.87Å; H66-L181 VanDerWaalsContact NE2-O 3.17Å; L181-C187 HydrophobicContact CD2-CB 3.74Å |
| 182 | H | 96.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 18 Ų | 18 | 1% | 0.014 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -82 | -31.8 | -178.1 | -93.5 | -114.8 | 0 | 0 | 0 | 114.3 | Q38 A41 Q45 I62 T178 N179 S180 R250 | Q38-H182 WeakPolarHBondContact CG-O 3.36Å; A41-H182 VanDerWaalsContact C-CE1 3.47Å; A41-H182 HydrophobicContact CB-CB 4.38Å; A41-H182 PolarHBondContact O-CE1 3.1Å; Q45-H182 WeakPolarHBondContact CB-CE1 3.35Å; Q45-H182 VanDerWaalsContact CD-NE2 3.32Å; Q45-H182 WeakPolarHBondContact CG-CE1 3.39Å; Q45-H182 PolarHBondContact OE1-CE1 3.24Å; Q45-H182 PolarHBondContact OE1-NE2 2.62Å; I62-H182 WeakPolarHBondContact CD1-NE2 3.42Å; T178-H182 PolarHBondContact O-CD2 3.48Å; T178-H182 PolarHBondContact O-N 2.88Å; N179-H182 PolarHBondContact O-N 2.95Å; S180-H182 VanDerWaalsContact C-N 3.28Å; S180-H182 PolarHBondContact O-N 3.19Å; H182-R250 VanDerWaalsContact CB-NH2 3.27Å; H182-R250 PolarHBondContact ND1-NH1 2.92Å; H182-R250 PolarHBondContact ND1-NH2 3.34Å |
| 183 | L | 95.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -112.8 | -24.9 | -165.6 | -60.4 | -179.8 | 0 | 0 | 0 | 114.3 | Q38 N179 S180 I243 L244 T247 R250 | Q38-L183 HydrophobicContact CG-CD2 4.42Å; Q38-L183 PolarHBondContact NE2-O 3.04Å; N179-L183 HydrophobicContact CB-CD1 4.37Å; N179-L183 VanDerWaalsContact O-CB 3.28Å; N179-L183 WeakPolarHBondContact O-CB 3.1Å; N179-L183 WeakPolarHBondContact O-CG 3.44Å; N179-L183 PolarHBondContact O-N 2.97Å; S180-L183 PolarHBondContact O-N 2.37Å; L183-I243 HydrophobicContact CB-CG2 3.85Å; L183-I243 WeakPolarHBondContact O-CG2 3.41Å; L183-L244 HydrophobicContact CD1-CD2 3.52Å; L183-L244 HydrophobicContact CD1-CG 4.2Å; L183-T247 HydrophobicContact CD2-CG2 4.11Å; L183-R250 HydrophobicContact CD1-CG 4.25Å |
| 184 | T | 96.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | trans | -118.8 | 172.5 | -172.6 | 77.2 | 0 | 0 | 0 | 0 | 111.1 | H66 S180 F186 F240 I243 | H66-T184 PolarHBondContact CE1-O 2.68Å; S180-T184 WeakPolarHBondContact O-CB 2.61Å; S180-T184 PolarHBondContact O-N 3.45Å; S180-T184 PolarHBondContact O-OG1 2.93Å; T184-F186 HydrophobicContact CG2-CD2 4.31Å; T184-F186 HydrophobicContact CG2-CE2 4.31Å; T184-F186 HydrophobicContact CG2-CG 4.46Å; T184-F186 HydrophobicContact CG2-CZ 4.47Å; T184-F186 WeakPolarHBondContact OG1-CB 3.25Å; T184-F186 VanDerWaalsContact OG1-CG 3.28Å; T184-F186 WeakPolarHBondContact OG1-CG 3.28Å; T184-F186 PolarHBondContact OG1-N 3.03Å; T184-F186 VanDerWaalsContact OG1-N 3.1Å; T184-F240 HydrophobicContact CG2-CD2 3.61Å; T184-F240 HydrophobicContact CG2-CE2 4.04Å; T184-F240 HydrophobicContact CG2-CG 4.37Å; T184-I243 HydrophobicContact CG2-CD1 3.98Å | ||
| 185 | T | 96.9 | Very high | 96.2 | Very high | 24 Ų | 24 | 15.5 Ų | 15.5 | 15% | 0.147 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -98.5 | 17.6 | 166.6 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | L18 C187 L188 Q189 | L18-T185 HydrophobicContact CD2-CG2 4.48Å; T185-C187 PolarHBondContact O-N 3.38Å; T185-C187 VanDerWaalsContact O-N 3.12Å; T185-L188 WeakPolarHBondContact O-CA 3.36Å; T185-L188 WeakPolarHBondContact O-CB 3.49Å; T185-L188 PolarHBondContact O-N 3.04Å; T185-Q189 PolarHBondContact OG1-NE2 2.85Å; T185-Q189 VanDerWaalsContact OG1-NE2 3.09Å |
| 186 | F | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 0% | 0.004 | 7% | 0.068 | C | C | . | . | G | 310 helix | trans | -56.1 | -33.9 | -173.8 | -73.2 | -9.3 | 0 | 0 | 0 | 114.1 | T184 L188 Q189 Y190 I195 V198 L236 E239 F240 | T184-F186 HydrophobicContact CG2-CD2 4.31Å; T184-F186 HydrophobicContact CG2-CE2 4.31Å; T184-F186 HydrophobicContact CG2-CG 4.46Å; T184-F186 HydrophobicContact CG2-CZ 4.47Å; T184-F186 WeakPolarHBondContact OG1-CB 3.25Å; T184-F186 VanDerWaalsContact OG1-CG 3.28Å; T184-F186 WeakPolarHBondContact OG1-CG 3.28Å; T184-F186 PolarHBondContact OG1-N 3.03Å; T184-F186 VanDerWaalsContact OG1-N 3.1Å; F186-L188 PolarHBondContact O-N 3.32Å; F186-L188 VanDerWaalsContact O-N 3.08Å; F186-Q189 PolarHBondContact O-N 2.89Å; F186-Y190 HydrophobicContact CB-CD2 4.29Å; F186-Y190 HydrophobicContact CD1-CD2 4.03Å; F186-Y190 AromaticContact CD1-CE2 3.99Å; F186-Y190 HydrophobicContact CD1-CE2 3.99Å; F186-Y190 HydrophobicContact CE1-CE2 4.29Å; F186-Y190 HydrophobicContact CG-CD2 4.25Å; F186-Y190 PolarHBondContact O-N 2.77Å; F186-I195 HydrophobicContact CB-CD1 3.96Å; F186-I195 HydrophobicContact CB-CG1 4.12Å; F186-V198 HydrophobicContact CE2-CG1 4.35Å; F186-L236 HydrophobicContact CE1-CD2 3.96Å; F186-L236 HydrophobicContact CE2-CB 4.48Å; F186-L236 HydrophobicContact CZ-CB 4.11Å; F186-L236 HydrophobicContact CZ-CD2 4.08Å; F186-E239 HydrophobicContact CE1-CG 4.47Å; F186-E239 WeakPolarHBondContact CE1-OE1 3.37Å; F186-E239 HydrophobicContact CZ-CB 4.43Å; F186-F240 HydrophobicContact CE2-CB 3.92Å; F186-F240 HydrophobicContact CE2-CG 4.25Å; F186-F240 HydrophobicContact CZ-CB 4.1Å |
| 187 | C | 96.9 | Very high | 96.5 | Very high | 16 Ų | 16 | 13.3 Ų | 13.3 | 11% | 0.108 | 7% | 0.068 | C | C | . | . | G | 310 helix | trans | -64.5 | -8.9 | 175 | 59.9 | 0 | 0 | 0 | 0 | 114.8 | V63 L181 T185 | V63-C187 HydrophobicContact CG2-CB 4.32Å; L181-C187 HydrophobicContact CD2-CB 3.74Å; T185-C187 PolarHBondContact O-N 3.38Å; T185-C187 VanDerWaalsContact O-N 3.12Å |
| 188 | L | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | G | 310 helix | trans | -107.5 | 0.3 | 173.6 | -58.7 | 173 | 0 | 0 | 0 | 112.7 | Y12 F13 L18 H66 R67 M70 T185 F186 | Y12-L188 CarbonylContact C-O 3.54Å; Y12-L188 WeakPolarHBondContact CA-O 3.35Å; F13-L188 HydrophobicContact CD2-CB 4.16Å; F13-L188 WeakPolarHBondContact CD2-O 3.32Å; F13-L188 HydrophobicContact CE2-CD2 4.32Å; F13-L188 PolarHBondContact N-O 2.74Å; L18-L188 HydrophobicContact CD2-CD1 4.25Å; H66-L188 HydrophobicContact CB-CD1 3.93Å; H66-L188 HydrophobicContact CB-CD2 4.12Å; H66-L188 HydrophobicContact CB-CG 4.05Å; R67-L188 HydrophobicContact CG-CD2 3.92Å; M70-L188 HydrophobicContact CG-CD1 3.75Å; M70-L188 HydrophobicContact CG-CD2 4.07Å; M70-L188 HydrophobicContact CG-CG 4.46Å; M70-L188 HydrophobicContact SD-CD1 3.9Å; T185-L188 WeakPolarHBondContact O-CA 3.36Å; T185-L188 WeakPolarHBondContact O-CB 3.49Å; T185-L188 PolarHBondContact O-N 3.04Å; F186-L188 PolarHBondContact O-N 3.32Å; F186-L188 VanDerWaalsContact O-N 3.08Å |
| 189 | Q | 95.8 | Very high | 96.5 | Very high | 23 Ų | 23 | 12.8 Ų | 12.8 | 11% | 0.107 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -39.8 | -176.8 | -66.8 | -174.6 | 78.8 | 0 | 0 | 112.1 | L18 T185 F186 | L18-Q189 HydrophobicContact CD1-CG 3.27Å; T185-Q189 PolarHBondContact OG1-NE2 2.85Å; T185-Q189 VanDerWaalsContact OG1-NE2 3.09Å; F186-Q189 PolarHBondContact O-N 2.89Å |
| 190 | Y | 95.8 | Very high | 96.6 | Very high | 42 Ų | 42 | 12.8 Ų | 12.8 | 17% | 0.165 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -129.6 | 150.5 | -168.1 | -53.9 | -67.6 | 0 | 0 | 0 | 112 | Y12 F186 V194 I195 L236 | Y12-Y190 WeakPolarHBondContact CE1-O 3.31Å; F186-Y190 HydrophobicContact CB-CD2 4.29Å; F186-Y190 HydrophobicContact CD1-CD2 4.03Å; F186-Y190 AromaticContact CD1-CE2 3.99Å; F186-Y190 HydrophobicContact CD1-CE2 3.99Å; F186-Y190 HydrophobicContact CE1-CE2 4.29Å; F186-Y190 HydrophobicContact CG-CD2 4.25Å; F186-Y190 PolarHBondContact O-N 2.77Å; Y190-V194 HydrophobicContact CD1-CG1 4.46Å; Y190-V194 HydrophobicContact CG-CG1 4.44Å; Y190-I195 WeakPolarHBondContact O-CD1 3.32Å; Y190-L236 HydrophobicContact CD1-CD1 4.27Å; Y190-L236 HydrophobicContact CD2-CD1 3.93Å; Y190-L236 HydrophobicContact CD2-CD2 4.35Å; Y190-L236 HydrophobicContact CE1-CD1 4.13Å; Y190-L236 HydrophobicContact CE2-CD1 3.78Å; Y190-L236 HydrophobicContact CE2-CD2 3.48Å; Y190-L236 VanDerWaalsContact CE2-CD2 3.48Å; Y190-L236 HydrophobicContact CE2-CG 4.3Å; Y190-L236 HydrophobicContact CG-CD1 4.19Å |
| 191 | K | 95.4 | Very high | 96.5 | Very high | 92 Ų | 92 | 13.7 Ų | 13.7 | 40% | 0.4 | 7% | 0.069 | S | C | . | . | trans | -64.3 | 152.1 | 175.4 | -64.4 | 177 | -173 | 166.7 | 0 | 111.4 | Y12 T193 V194 I195 | Y12-K191 HydrophobicContact CE2-CG 4.16Å; K191-T193 WeakPolarHBondContact CB-OG1 3.46Å; K191-T193 PolarHBondContact O-N 2.95Å; K191-T193 VanDerWaalsContact O-N 3.17Å; K191-V194 HydrophobicContact CB-CG2 4.32Å; K191-V194 PolarHBondContact O-N 3.44Å; K191-I195 WeakPolarHBondContact O-CG1 3.44Å; K191-I195 PolarHBondContact O-N 2.89Å | ||
| 192 | P | 95.8 | Very high | 96.3 | Very high | 18 Ų | 18 | 13.7 Ų | 13.7 | 12% | 0.117 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -49.6 | -39.3 | 173.3 | -30.9 | 37.6 | 0 | 0 | 0 | 114 | Y12 D150 P152 I195 A196 | Y12-P192 WeakPolarHBondContact OH-CD 3.16Å; D150-P192 HydrophobicContact CB-CG 3.92Å; D150-P192 WeakPolarHBondContact O-CG 3.49Å; P152-P192 WeakPolarHBondContact CB-O 3.3Å; P192-I195 PolarHBondContact O-N 3.37Å; P192-A196 WeakPolarHBondContact O-CB 3.3Å; P192-A196 PolarHBondContact O-N 3.32Å |
| 193 | T | 96.1 | Very high | 96.1 | Very high | 28 Ų | 28 | 13.6 Ų | 13.6 | 17% | 0.172 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.1 | -51.1 | 175.2 | 48.9 | 0 | 0 | 0 | 0 | 112.7 | K191 A196 C197 D225 | K191-T193 WeakPolarHBondContact CB-OG1 3.46Å; K191-T193 PolarHBondContact O-N 2.95Å; K191-T193 VanDerWaalsContact O-N 3.17Å; T193-A196 WeakPolarHBondContact O-CB 3.45Å; T193-A196 PolarHBondContact O-N 3.31Å; T193-C197 PolarHBondContact O-N 3.13Å; T193-C197 VanDerWaalsContact O-N 3.09Å; T193-C197 PolarHBondContact O-SG 3.49Å; T193-D225 WeakPolarHBondContact CB-OD2 3.41Å; T193-D225 PolarHBondContact OG1-OD2 3.36Å |
| 194 | V | 96.8 | Very high | 96 | Very high | 7 Ų | 7 | 13.8 Ų | 13.8 | 4% | 0.042 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63 | -44.7 | 177.5 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | Y190 K191 A196 C197 V198 V228 L232 L236 | Y190-V194 HydrophobicContact CD1-CG1 4.46Å; Y190-V194 HydrophobicContact CG-CG1 4.44Å; K191-V194 HydrophobicContact CB-CG2 4.32Å; K191-V194 PolarHBondContact O-N 3.44Å; V194-A196 VanDerWaalsContact C-N 3.31Å; V194-A196 PolarHBondContact O-N 3.09Å; V194-C197 WeakPolarHBondContact O-CB 3.22Å; V194-C197 PolarHBondContact O-N 3.26Å; V194-V198 WeakPolarHBondContact O-CG2 3.45Å; V194-V198 PolarHBondContact O-N 2.96Å; V194-V228 HydrophobicContact CB-CG2 4.38Å; V194-V228 HydrophobicContact CG1-CG2 4.29Å; V194-V228 HydrophobicContact CG2-CG2 3.9Å; V194-L232 HydrophobicContact CG1-CD2 4.36Å; V194-L236 HydrophobicContact CG1-CD1 4.41Å |
| 195 | I | 97.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 18.9 Ų | 18.9 | 3% | 0.026 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.2 | -38.3 | 178.1 | -60.5 | 170.4 | 0 | 0 | 0 | 110.9 | P152 F186 Y190 K191 P192 V198 C199 | P152-I195 HydrophobicContact CB-CB 4Å; P152-I195 HydrophobicContact CB-CG2 3.84Å; P152-I195 HydrophobicContact CG-CB 4.46Å; P152-I195 HydrophobicContact CG-CG2 3.93Å; F186-I195 HydrophobicContact CB-CD1 3.96Å; F186-I195 HydrophobicContact CB-CG1 4.12Å; Y190-I195 WeakPolarHBondContact O-CD1 3.32Å; K191-I195 WeakPolarHBondContact O-CG1 3.44Å; K191-I195 PolarHBondContact O-N 2.89Å; P192-I195 PolarHBondContact O-N 3.37Å; I195-V198 PolarHBondContact O-N 3.01Å; I195-C199 WeakPolarHBondContact O-CB 3.43Å; I195-C199 PolarHBondContact O-N 3.17Å; I195-C199 PolarHBondContact O-SG 3.04Å |
| 196 | A | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P152 D155 V156 P192 T193 V194 C199 I200 | P152-A196 HydrophobicContact CB-CB 4.23Å; P152-A196 WeakPolarHBondContact O-CB 3.45Å; D155-A196 HydrophobicContact CB-CB 3.82Å; V156-A196 HydrophobicContact CG2-CB 3.71Å; P192-A196 WeakPolarHBondContact O-CB 3.3Å; P192-A196 PolarHBondContact O-N 3.32Å; T193-A196 WeakPolarHBondContact O-CB 3.45Å; T193-A196 PolarHBondContact O-N 3.31Å; V194-A196 VanDerWaalsContact C-N 3.31Å; V194-A196 PolarHBondContact O-N 3.09Å; A196-C199 PolarHBondContact O-N 3.35Å; A196-I200 WeakPolarHBondContact O-CG1 3.28Å; A196-I200 PolarHBondContact O-N 2.92Å |
| 197 | C | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 173.9 | -65.6 | 0 | 0 | 0 | 0 | 112.3 | T193 V194 C199 I200 H201 W220 W221 V228 L233 | T193-C197 PolarHBondContact O-N 3.13Å; T193-C197 VanDerWaalsContact O-N 3.09Å; T193-C197 PolarHBondContact O-SG 3.49Å; V194-C197 WeakPolarHBondContact O-CB 3.22Å; V194-C197 PolarHBondContact O-N 3.26Å; C197-C199 VanDerWaalsContact C-N 3.33Å; C197-C199 PolarHBondContact O-N 3.48Å; C197-I200 PolarHBondContact O-N 2.8Å; C197-H201 VanDerWaalsContact O-CB 3.27Å; C197-H201 WeakPolarHBondContact O-CB 3.41Å; C197-H201 PolarHBondContact O-N 3.1Å; C197-W220 HydrophobicContact CB-CH2 4.15Å; C197-W220 HydrophobicContact CB-CZ3 4.28Å; C197-W221 HydrophobicContact CB-CB 4.43Å; C197-V228 HydrophobicContact CB-CG1 4.49Å; C197-L233 HydrophobicContact CB-CD2 3.64Å |
| 198 | V | 97.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 176 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | F186 V194 I195 I200 H201 L202 L233 L236 | F186-V198 HydrophobicContact CE2-CG1 4.35Å; V194-V198 WeakPolarHBondContact O-CG2 3.45Å; V194-V198 PolarHBondContact O-N 2.96Å; I195-V198 PolarHBondContact O-N 3.01Å; V198-I200 PolarHBondContact O-N 3.06Å; V198-H201 PolarHBondContact O-N 3.18Å; V198-L202 WeakPolarHBondContact O-CB 3.49Å; V198-L202 PolarHBondContact O-N 3.49Å; V198-L233 HydrophobicContact CG2-CD2 3.81Å; V198-L236 HydrophobicContact CG1-CB 4.06Å; V198-L236 HydrophobicContact CG2-CB 3.68Å; V198-L236 HydrophobicContact CG2-CD1 3.91Å; V198-L236 HydrophobicContact CG2-CG 4.45Å |
| 199 | C | 96.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.8 | -37.9 | 179.7 | -67.3 | 0 | 0 | 0 | 0 | 112.9 | V156 M176 A177 I195 A196 C197 A203 | V156-C199 HydrophobicContact CG2-CB 4.48Å; M176-C199 HydrophobicContact CB-CB 3.87Å; A177-C199 VanDerWaalsContact CA-SG 3.52Å; A177-C199 HydrophobicContact CB-CB 4.33Å; A177-C199 PolarHBondContact N-SG 2.8Å; I195-C199 WeakPolarHBondContact O-CB 3.43Å; I195-C199 PolarHBondContact O-N 3.17Å; I195-C199 PolarHBondContact O-SG 3.04Å; A196-C199 PolarHBondContact O-N 3.35Å; C197-C199 VanDerWaalsContact C-N 3.33Å; C197-C199 PolarHBondContact O-N 3.48Å; C199-A203 VanDerWaalsContact O-CB 3.3Å; C199-A203 WeakPolarHBondContact O-CB 3.45Å; C199-A203 PolarHBondContact O-N 2.66Å |
| 200 | I | 95.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.6 | -46.2 | 173.4 | -69.9 | 166.9 | 0 | 0 | 0 | 110.8 | V156 C159 T160 A196 C197 V198 L202 A203 C204 I211 W220 | V156-I200 HydrophobicContact CG1-CG1 4.43Å; V156-I200 HydrophobicContact CG2-CG1 4.37Å; C159-I200 HydrophobicContact CB-CD1 3.59Å; T160-I200 HydrophobicContact CG2-CD1 4.14Å; T160-I200 HydrophobicContact CG2-CG1 4.18Å; A196-I200 WeakPolarHBondContact O-CG1 3.28Å; A196-I200 PolarHBondContact O-N 2.92Å; C197-I200 PolarHBondContact O-N 2.8Å; V198-I200 PolarHBondContact O-N 3.06Å; I200-L202 PolarHBondContact O-N 3.2Å; I200-A203 CarbonylContact O-C 3.41Å; I200-A203 WeakPolarHBondContact O-CA 3.24Å; I200-A203 WeakPolarHBondContact O-CB 3.34Å; I200-A203 PolarHBondContact O-N 3.27Å; I200-A203 VanDerWaalsContact O-N 3.09Å; I200-C204 WeakPolarHBondContact O-CB 3.36Å; I200-C204 PolarHBondContact O-N 2.69Å; I200-C204 PolarHBondContact O-SG 3.32Å; I200-I211 HydrophobicContact CG2-CD1 3.97Å; I200-W220 HydrophobicContact CB-CH2 3.73Å; I200-W220 HydrophobicContact CB-CZ3 4.1Å; I200-W220 HydrophobicContact CD1-CZ3 4.18Å; I200-W220 HydrophobicContact CG2-CH2 3.5Å; I200-W220 VanDerWaalsContact CG2-CH2 3.5Å; I200-W220 HydrophobicContact CG2-CZ2 3.99Å; I200-W220 HydrophobicContact CG2-CZ3 3.82Å |
| 201 | H | 95.1 | Very high | 93.5 | Very high | 19 Ų | 19 | 40.5 Ų | 40.5 | 9% | 0.088 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | -177.8 | -169.3 | 57 | 0 | 0 | 0 | 112.1 | C197 V198 A203 C204 K205 W220 D234 | C197-H201 VanDerWaalsContact O-CB 3.27Å; C197-H201 WeakPolarHBondContact O-CB 3.41Å; C197-H201 PolarHBondContact O-N 3.1Å; V198-H201 PolarHBondContact O-N 3.18Å; H201-A203 PolarHBondContact O-N 3.43Å; H201-C204 WeakPolarHBondContact O-CB 3.3Å; H201-C204 PolarHBondContact O-N 2.98Å; H201-K205 WeakPolarHBondContact NE2-CE 3.38Å; H201-K205 PolarHBondContact O-N 2.89Å; H201-W220 HydrophobicContact CB-CZ2 4.28Å; H201-D234 IonicContact CD2-OD1 2.67Å; H201-D234 IonicContact CE1-OD1 3.69Å; H201-D234 IonicContact NE2-OD1 3.96Å; H201-D234 PolarHBondContact NE2-OD1 3.08Å |
| 202 | L | 94.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 170.7 | 174.6 | 54.4 | 0 | 0 | 0 | 111.8 | M176 V198 I200 C204 W206 T237 F240 L241 L244 | M176-L202 HydrophobicContact CG-CD2 4.29Å; M176-L202 HydrophobicContact SD-CD2 4.19Å; V198-L202 WeakPolarHBondContact O-CB 3.49Å; V198-L202 PolarHBondContact O-N 3.49Å; I200-L202 PolarHBondContact O-N 3.2Å; L202-C204 VanDerWaalsContact C-N 3.32Å; L202-C204 PolarHBondContact O-N 3.47Å; L202-W206 HydrophobicContact CD1-CE3 4.5Å; L202-W206 VanDerWaalsContact O-CB 3.25Å; L202-W206 WeakPolarHBondContact O-CB 3.34Å; L202-W206 PolarHBondContact O-N 3.17Å; L202-T237 HydrophobicContact CB-CG2 4.01Å; L202-T237 HydrophobicContact CD1-CG2 4.01Å; L202-F240 HydrophobicContact CD2-CD1 3.58Å; L202-F240 HydrophobicContact CD2-CE1 3.81Å; L202-F240 HydrophobicContact CD2-CG 4.38Å; L202-L241 HydrophobicContact CD1-CD1 4.01Å; L202-L241 HydrophobicContact CD1-CD2 3.71Å; L202-L241 HydrophobicContact CD1-CG 3.76Å; L202-L244 HydrophobicContact CD2-CD1 4.01Å |
| 203 | A | 93.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.5 | -35.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L169 T172 S173 C199 I200 H201 S207 | L169-A203 VanDerWaalsContact CD1-C 3.48Å; L169-A203 HydrophobicContact CD1-CB 3.71Å; L169-A203 VanDerWaalsContact CD1-O 3.28Å; L169-A203 WeakPolarHBondContact CD1-O 3.38Å; T172-A203 HydrophobicContact CG2-CB 3.58Å; S173-A203 VanDerWaalsContact OG-CB 3.27Å; S173-A203 WeakPolarHBondContact OG-CB 3.48Å; C199-A203 VanDerWaalsContact O-CB 3.3Å; C199-A203 WeakPolarHBondContact O-CB 3.45Å; C199-A203 PolarHBondContact O-N 2.66Å; I200-A203 CarbonylContact O-C 3.41Å; I200-A203 WeakPolarHBondContact O-CA 3.24Å; I200-A203 WeakPolarHBondContact O-CB 3.34Å; I200-A203 PolarHBondContact O-N 3.27Å; I200-A203 VanDerWaalsContact O-N 3.09Å; H201-A203 PolarHBondContact O-N 3.43Å; A203-S207 VanDerWaalsContact O-CB 3.28Å; A203-S207 WeakPolarHBondContact O-CB 3.27Å; A203-S207 PolarHBondContact O-N 3.43Å; A203-S207 PolarHBondContact O-OG 3.09Å |
| 204 | C | 93.1 | Very high | 92.6 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.7 | -56.3 | 175.7 | -68.4 | 0 | 0 | 0 | 0 | 110.7 | I200 H201 L202 W206 S207 N208 W209 | I200-C204 WeakPolarHBondContact O-CB 3.36Å; I200-C204 PolarHBondContact O-N 2.69Å; I200-C204 PolarHBondContact O-SG 3.32Å; H201-C204 WeakPolarHBondContact O-CB 3.3Å; H201-C204 PolarHBondContact O-N 2.98Å; L202-C204 VanDerWaalsContact C-N 3.32Å; L202-C204 PolarHBondContact O-N 3.47Å; C204-W206 VanDerWaalsContact C-N 3.31Å; C204-W206 PolarHBondContact O-N 3.41Å; C204-S207 CarbonylContact O-C 3.46Å; C204-S207 PolarHBondContact O-N 2.94Å; C204-N208 PolarHBondContact O-N 3.45Å; C204-W209 CarbonylContact C-O 3.58Å; C204-W209 VanDerWaalsContact CB-O 3.32Å; C204-W209 WeakPolarHBondContact CB-O 3.37Å; C204-W209 PolarHBondContact O-N 3.25Å; C204-W209 VanDerWaalsContact O-N 3.08Å |
| 205 | K | 90.5 | Very high | 92.2 | Very high | 108 Ų | 108 | 51.8 Ų | 51.8 | 47% | 0.47 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -53.2 | -46.7 | 174.5 | -73.1 | -174.4 | 175.5 | -177.6 | 0 | 111.8 | H201 S207 N208 D234 | H201-K205 WeakPolarHBondContact NE2-CE 3.38Å; H201-K205 PolarHBondContact O-N 2.89Å; K205-S207 PolarHBondContact O-N 3.32Å; K205-N208 PolarHBondContact O-N 2.98Å; K205-N208 VanDerWaalsContact O-N 3.17Å; K205-D234 IonicContact NZ-OD1 3.65Å; K205-D234 PolarHBondContact NZ-OD1 2.95Å; K205-D234 IonicContact NZ-OD2 2.66Å; K205-D234 PolarHBondContact NZ-OD2 2.81Å |
| 206 | W | 87.4 | Confident | 91.8 | Very high | 77 Ų | 77 | 55 Ų | 55 | 29% | 0.292 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -7.9 | 180 | -159.4 | 0.7 | 0 | 0 | 0 | 113.9 | M176 L202 C204 L251 I254 R258 | M176-W206 HydrophobicContact CE-CE3 3.62Å; M176-W206 HydrophobicContact CE-CH2 4.46Å; M176-W206 HydrophobicContact CE-CZ3 3.43Å; M176-W206 VanDerWaalsContact CE-CZ3 3.43Å; M176-W206 HydrophobicContact SD-CE3 4.5Å; M176-W206 HydrophobicContact SD-CZ3 4.15Å; L202-W206 HydrophobicContact CD1-CE3 4.5Å; L202-W206 VanDerWaalsContact O-CB 3.25Å; L202-W206 WeakPolarHBondContact O-CB 3.34Å; L202-W206 PolarHBondContact O-N 3.17Å; C204-W206 VanDerWaalsContact C-N 3.31Å; C204-W206 PolarHBondContact O-N 3.41Å; W206-L251 HydrophobicContact CH2-CD1 3.68Å; W206-L251 HydrophobicContact CZ2-CD1 4.06Å; W206-I254 HydrophobicContact CH2-CB 3.98Å; W206-I254 HydrophobicContact CH2-CD1 3.93Å; W206-I254 HydrophobicContact CH2-CG1 4.49Å; W206-I254 HydrophobicContact CH2-CG2 3.61Å; W206-I254 HydrophobicContact CZ2-CG2 4.29Å; W206-I254 HydrophobicContact CZ3-CD1 4.12Å; W206-I254 HydrophobicContact CZ3-CG2 3.97Å; W206-R258 PolarHBondContact O-NH1 3.42Å |
| 207 | S | 87.6 | Confident | 91.4 | Very high | 49 Ų | 49 | 57.7 Ų | 57.7 | 34% | 0.343 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 4.5 | 172.7 | -47.5 | 0 | 0 | 0 | 0 | 112.5 | L169 A203 C204 K205 W209 R258 | L169-S207 WeakPolarHBondContact CD1-OG 3.47Å; A203-S207 VanDerWaalsContact O-CB 3.28Å; A203-S207 WeakPolarHBondContact O-CB 3.27Å; A203-S207 PolarHBondContact O-N 3.43Å; A203-S207 PolarHBondContact O-OG 3.09Å; C204-S207 CarbonylContact O-C 3.46Å; C204-S207 PolarHBondContact O-N 2.94Å; K205-S207 PolarHBondContact O-N 3.32Å; S207-W209 PolarHBondContact O-N 3.5Å; S207-R258 PolarHBondContact OG-NH2 2.97Å |
| 208 | N | 88.4 | Confident | 91.1 | Very high | 149 Ų | 149 | 62.3 Ų | 62.3 | 80% | 0.797 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 36.8 | -172.4 | -147.8 | 107.4 | 0 | 0 | 0 | 113.2 | C204 K205 | C204-N208 PolarHBondContact O-N 3.45Å; K205-N208 PolarHBondContact O-N 2.98Å; K205-N208 VanDerWaalsContact O-N 3.17Å |
| 209 | W | 89.1 | Confident | 90.9 | Very high | 90 Ų | 90 | 65.9 Ų | 65.9 | 34% | 0.341 | 36% | 0.356 | S | S | . | . | trans | -113.3 | 139.1 | 178.3 | -175.6 | 67.4 | 0 | 0 | 0 | 109.9 | V163 A165 L169 C204 S207 I211 | V163-W209 HydrophobicContact CB-CH2 4.49Å; V163-W209 HydrophobicContact CG2-CH2 3.88Å; V163-W209 HydrophobicContact CG2-CZ3 4.31Å; A165-W209 HydrophobicContact CB-CH2 4.21Å; A165-W209 HydrophobicContact CB-CZ3 4.38Å; L169-W209 HydrophobicContact CD2-CD2 4Å; L169-W209 HydrophobicContact CD2-CE3 3.1Å; L169-W209 HydrophobicContact CD2-CH2 4.18Å; L169-W209 HydrophobicContact CD2-CZ3 3.19Å; C204-W209 CarbonylContact C-O 3.58Å; C204-W209 VanDerWaalsContact CB-O 3.32Å; C204-W209 WeakPolarHBondContact CB-O 3.37Å; C204-W209 PolarHBondContact O-N 3.25Å; C204-W209 VanDerWaalsContact O-N 3.08Å; S207-W209 PolarHBondContact O-N 3.5Å; W209-I211 HydrophobicContact CE3-CG1 3.77Å; W209-I211 HydrophobicContact CH2-CD1 4.45Å; W209-I211 HydrophobicContact CH2-CG1 3.54Å; W209-I211 HydrophobicContact CZ2-CG1 4.4Å; W209-I211 HydrophobicContact CZ3-CB 4.44Å; W209-I211 HydrophobicContact CZ3-CD1 3.83Å; W209-I211 HydrophobicContact CZ3-CG1 3.15Å | ||
| 210 | E | 90.1 | Very high | 90.7 | Very high | 170 Ų | 170 | 66.7 Ų | 66.7 | 79% | 0.794 | 36% | 0.359 | S | S | * | . | trans | -117.9 | 129 | 177.9 | -65.7 | -178.9 | -180 | 0 | 0 | 108.7 | ||||
| 211 | I | 88.8 | Confident | 90.5 | Very high | 24 Ų | 24 | 67.3 Ų | 67.3 | 12% | 0.123 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 123.6 | 174.3 | -64.4 | 160.8 | 0 | 0 | 0 | 107.5 | V163 I200 W209 W220 | V163-I211 HydrophobicContact CB-CG2 4.11Å; V163-I211 HydrophobicContact CG1-CD1 4.47Å; V163-I211 HydrophobicContact CG1-CG2 3.87Å; V163-I211 HydrophobicContact CG2-CD1 4.22Å; V163-I211 HydrophobicContact CG2-CG1 4.36Å; I200-I211 HydrophobicContact CG2-CD1 3.97Å; W209-I211 HydrophobicContact CE3-CG1 3.77Å; W209-I211 HydrophobicContact CH2-CD1 4.45Å; W209-I211 HydrophobicContact CH2-CG1 3.54Å; W209-I211 HydrophobicContact CZ2-CG1 4.4Å; W209-I211 HydrophobicContact CZ3-CB 4.44Å; W209-I211 HydrophobicContact CZ3-CD1 3.83Å; W209-I211 HydrophobicContact CZ3-CG1 3.15Å; I211-W220 HydrophobicContact CB-CB 4.48Å; I211-W220 VanDerWaalsContact CB-CD1 3.45Å; I211-W220 HydrophobicContact CB-CG 3.97Å; I211-W220 HydrophobicContact CD1-CD2 3.58Å; I211-W220 HydrophobicContact CD1-CE3 4.2Å; I211-W220 HydrophobicContact CD1-CG 3.76Å; I211-W220 HydrophobicContact CD1-CZ2 4.09Å; I211-W220 HydrophobicContact CG1-CG 4.45Å; I211-W220 HydrophobicContact CG2-CB 3.61Å; I211-W220 HydrophobicContact CG2-CG 3.63Å |
| 212 | P | 88.6 | Confident | 90.4 | Very high | 99 Ų | 99 | 71.5 Ų | 71.5 | 64% | 0.643 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 152.8 | 179.8 | 26.2 | -34.7 | 0 | 0 | 0 | 111.8 | ||
| 213 | V | 90.6 | Very high | 90.2 | Very high | 79 Ų | 79 | 77 Ų | 77 | 48% | 0.479 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 140.6 | 170.7 | -173.2 | 0 | 0 | 0 | 0 | 109 | G217 K218 | V213-G217 VanDerWaalsContact CG1-C 3.49Å; V213-K218 WeakPolarHBondContact CG1-O 3.45Å |
| 214 | S | 89.9 | Confident | 90.2 | Very high | 42 Ų | 42 | 78.5 Ų | 78.5 | 29% | 0.294 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 161 | 176.8 | -74.9 | 0 | 0 | 0 | 0 | 112.8 | D216 G217 K218 Y223 | S214-D216 WeakPolarHBondContact CB-OD1 3.28Å; S214-D216 PolarHBondContact O-N 2.97Å; S214-D216 VanDerWaalsContact O-N 3.08Å; S214-G217 PolarHBondContact O-N 3.36Å; S214-K218 WeakPolarHBondContact CB-O 3.36Å; S214-K218 PolarHBondContact N-O 3.32Å; S214-Y223 WeakPolarHBondContact CB-OH 3.36Å; S214-Y223 WeakPolarHBondContact OG-CE2 3.25Å; S214-Y223 PolarHBondContact OG-OH 2.61Å |
| 215 | T | 88.6 | Confident | 90.1 | Very high | 163 Ų | 163 | 79 Ų | 79 | 100% | 1 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -13 | 177.4 | 48.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 216 | D | 89.4 | Confident | 90.1 | Very high | 72 Ų | 72 | 78.9 Ų | 78.9 | 39% | 0.385 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 9.2 | 173.4 | 70.6 | -5.8 | 0 | 0 | 0 | 113.4 | S214 K218 Y223 | S214-D216 WeakPolarHBondContact CB-OD1 3.28Å; S214-D216 PolarHBondContact O-N 2.97Å; S214-D216 VanDerWaalsContact O-N 3.08Å; D216-K218 VanDerWaalsContact C-N 3.31Å; D216-K218 PolarHBondContact O-N 2.84Å; D216-K218 VanDerWaalsContact OD1-CB 3.3Å; D216-K218 WeakPolarHBondContact OD1-CB 3.43Å; D216-K218 WeakPolarHBondContact OD1-CG 3.2Å; D216-K218 PolarHBondContact OD1-N 3.48Å; D216-K218 WeakPolarHBondContact OD2-CD 3.02Å; D216-K218 IonicContact OD2-NZ 3.99Å; D216-K218 PolarHBondContact OD2-NZ 3.42Å; D216-Y223 PolarHBondContact OD1-OH 2.67Å; D216-Y223 PolarHBondContact OD2-OH 3.46Å |
| 217 | G | 89.3 | Confident | 90.3 | Very high | 56 Ų | 56 | 79.2 Ų | 79.2 | 58% | 0.577 | 44% | 0.435 | S | S | * | . | S | Bend | trans | 76.9 | 5.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V213 S214 | V213-G217 VanDerWaalsContact CG1-C 3.49Å; S214-G217 PolarHBondContact O-N 3.36Å |
| 218 | K | 90.3 | Very high | 90.7 | Very high | 98 Ų | 98 | 77 Ų | 77 | 43% | 0.426 | 42% | 0.419 | S | S | . | . | trans | -91.6 | 139.7 | -179.8 | -57.2 | -171.8 | -166 | 94.9 | 0 | 112.3 | V213 S214 D216 Y223 | V213-K218 WeakPolarHBondContact CG1-O 3.45Å; S214-K218 WeakPolarHBondContact CB-O 3.36Å; S214-K218 PolarHBondContact N-O 3.32Å; D216-K218 VanDerWaalsContact C-N 3.31Å; D216-K218 PolarHBondContact O-N 2.84Å; D216-K218 VanDerWaalsContact OD1-CB 3.3Å; D216-K218 WeakPolarHBondContact OD1-CB 3.43Å; D216-K218 WeakPolarHBondContact OD1-CG 3.2Å; D216-K218 PolarHBondContact OD1-N 3.48Å; D216-K218 WeakPolarHBondContact OD2-CD 3.02Å; D216-K218 IonicContact OD2-NZ 3.99Å; D216-K218 PolarHBondContact OD2-NZ 3.42Å; K218-Y223 HydrophobicContact CB-CE2 4.02Å | ||
| 219 | H | 92 | Very high | 91 | Very high | 76 Ų | 76 | 73 Ų | 73 | 35% | 0.352 | 40% | 0.401 | S | S | . | . | trans | -71.6 | 145.5 | 169.1 | -58.6 | -75 | 0 | 0 | 0 | 111.3 | W221 K222 | H219-W221 VanDerWaalsContact C-N 3.25Å; H219-W221 HydrophobicContact CB-CD2 3.75Å; H219-W221 HydrophobicContact CB-CE3 3.87Å; H219-W221 HydrophobicContact CB-CH2 3.55Å; H219-W221 HydrophobicContact CB-CZ2 3.44Å; H219-W221 VanDerWaalsContact CB-CZ2 3.44Å; H219-W221 HydrophobicContact CB-CZ3 3.78Å; H219-W221 AromaticContact CD2-CH2 3.85Å; H219-W221 AromaticContact CD2-CZ2 3.52Å; H219-W221 AromaticContact CG-CH2 3.43Å; H219-W221 VanDerWaalsContact CG-CH2 3.43Å; H219-W221 AromaticContact CG-CZ2 3.44Å; H219-W221 VanDerWaalsContact CG-CZ2 3.44Å; H219-W221 AromaticContact ND1-CH2 3.7Å; H219-W221 PolarHBondContact O-N 3.17Å; H219-W221 VanDerWaalsContact O-N 3.1Å; H219-K222 WeakPolarHBondContact O-CB 3.3Å; H219-K222 PolarHBondContact O-N 2.76Å | ||
| 220 | W | 92 | Very high | 91.1 | Very high | 18 Ų | 18 | 72.5 Ų | 72.5 | 7% | 0.068 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -51.3 | -36.3 | -174.5 | 65.6 | -90.7 | 0 | 0 | 0 | 115 | C159 V163 C197 I200 H201 I211 K222 Y223 | C159-W220 VanDerWaalsContact SG-CE3 3.55Å; V163-W220 HydrophobicContact CG1-CB 4.18Å; C197-W220 HydrophobicContact CB-CH2 4.15Å; C197-W220 HydrophobicContact CB-CZ3 4.28Å; I200-W220 HydrophobicContact CB-CH2 3.73Å; I200-W220 HydrophobicContact CB-CZ3 4.1Å; I200-W220 HydrophobicContact CD1-CZ3 4.18Å; I200-W220 HydrophobicContact CG2-CH2 3.5Å; I200-W220 VanDerWaalsContact CG2-CH2 3.5Å; I200-W220 HydrophobicContact CG2-CZ2 3.99Å; I200-W220 HydrophobicContact CG2-CZ3 3.82Å; H201-W220 HydrophobicContact CB-CZ2 4.28Å; I211-W220 HydrophobicContact CB-CB 4.48Å; I211-W220 VanDerWaalsContact CB-CD1 3.45Å; I211-W220 HydrophobicContact CB-CG 3.97Å; I211-W220 HydrophobicContact CD1-CD2 3.58Å; I211-W220 HydrophobicContact CD1-CE3 4.2Å; I211-W220 HydrophobicContact CD1-CG 3.76Å; I211-W220 HydrophobicContact CD1-CZ2 4.09Å; I211-W220 HydrophobicContact CG1-CG 4.45Å; I211-W220 HydrophobicContact CG2-CB 3.61Å; I211-W220 HydrophobicContact CG2-CG 3.63Å; W220-K222 PolarHBondContact O-N 3.18Å; W220-Y223 WeakPolarHBondContact O-CD2 3.46Å; W220-Y223 PolarHBondContact O-N 3.28Å |
| 221 | W | 92.8 | Very high | 91.4 | Very high | 15 Ų | 15 | 72 Ų | 72 | 6% | 0.057 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -64.7 | -28.4 | -177.9 | 58.1 | 79.5 | 0 | 0 | 0 | 112.7 | C197 H219 Y223 V224 D225 V228 L230 L233 | C197-W221 HydrophobicContact CB-CB 4.43Å; H219-W221 VanDerWaalsContact C-N 3.25Å; H219-W221 HydrophobicContact CB-CD2 3.75Å; H219-W221 HydrophobicContact CB-CE3 3.87Å; H219-W221 HydrophobicContact CB-CH2 3.55Å; H219-W221 HydrophobicContact CB-CZ2 3.44Å; H219-W221 VanDerWaalsContact CB-CZ2 3.44Å; H219-W221 HydrophobicContact CB-CZ3 3.78Å; H219-W221 AromaticContact CD2-CH2 3.85Å; H219-W221 AromaticContact CD2-CZ2 3.52Å; H219-W221 AromaticContact CG-CH2 3.43Å; H219-W221 VanDerWaalsContact CG-CH2 3.43Å; H219-W221 AromaticContact CG-CZ2 3.44Å; H219-W221 VanDerWaalsContact CG-CZ2 3.44Å; H219-W221 AromaticContact ND1-CH2 3.7Å; H219-W221 PolarHBondContact O-N 3.17Å; H219-W221 VanDerWaalsContact O-N 3.1Å; W221-Y223 PolarHBondContact O-N 3.44Å; W221-V224 PolarHBondContact O-N 2.86Å; W221-D225 PolarHBondContact O-N 2.89Å; W221-V228 HydrophobicContact CB-CG1 4Å; W221-V228 HydrophobicContact CG-CB 4.5Å; W221-V228 HydrophobicContact CG-CG1 3.88Å; W221-V228 PolarHBondContact NE1-O 3.14Å; W221-V228 VanDerWaalsContact NE1-O 3.07Å; W221-L230 HydrophobicContact CH2-CB 4.04Å; W221-L230 HydrophobicContact CH2-CD1 3.88Å; W221-L230 HydrophobicContact CH2-CD2 4.49Å; W221-L230 HydrophobicContact CH2-CG 4.35Å; W221-L230 HydrophobicContact CZ2-CB 3.86Å; W221-L230 HydrophobicContact CZ2-CD1 4.49Å; W221-L230 HydrophobicContact CZ3-CD1 4.27Å; W221-L233 HydrophobicContact CB-CD1 4.05Å; W221-L233 HydrophobicContact CD2-CD1 3.66Å; W221-L233 HydrophobicContact CE3-CD1 3.73Å; W221-L233 HydrophobicContact CG-CD1 3.82Å; W221-L233 HydrophobicContact CZ3-CD1 4.43Å |
| 222 | K | 92.5 | Very high | 91.7 | Very high | 106 Ų | 106 | 72.7 Ų | 72.7 | 46% | 0.461 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -66.3 | -14.9 | 177.6 | -65.8 | -170 | 174.2 | -176 | 0 | 114 | H219 W220 | H219-K222 WeakPolarHBondContact O-CB 3.3Å; H219-K222 PolarHBondContact O-N 2.76Å; W220-K222 PolarHBondContact O-N 3.18Å |
| 223 | Y | 90.7 | Very high | 92 | Very high | 119 Ų | 119 | 68 Ų | 68 | 47% | 0.467 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -89.2 | -14.7 | 172.8 | -59.6 | -87.4 | 0 | 0 | 0 | 113.2 | S214 D216 K218 W220 W221 | S214-Y223 WeakPolarHBondContact CB-OH 3.36Å; S214-Y223 WeakPolarHBondContact OG-CE2 3.25Å; S214-Y223 PolarHBondContact OG-OH 2.61Å; D216-Y223 PolarHBondContact OD1-OH 2.67Å; D216-Y223 PolarHBondContact OD2-OH 3.46Å; K218-Y223 HydrophobicContact CB-CE2 4.02Å; W220-Y223 WeakPolarHBondContact O-CD2 3.46Å; W220-Y223 PolarHBondContact O-N 3.28Å; W221-Y223 PolarHBondContact O-N 3.44Å |
| 224 | V | 91.9 | Very high | 92.2 | Very high | 32 Ų | 32 | 67.1 Ų | 67.1 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -45.4 | 175.1 | -175.8 | 0 | 0 | 0 | 0 | 110 | D155 C159 W221 | D155-V224 HydrophobicContact CB-CG1 4.28Å; C159-V224 HydrophobicContact CB-CG2 3.75Å; C159-V224 VanDerWaalsContact SG-CG2 3.57Å; W221-V224 PolarHBondContact O-N 2.86Å |
| 225 | D | 91.4 | Very high | 92.5 | Very high | 18 Ų | 18 | 69.4 Ų | 69.4 | 10% | 0.096 | 37% | 0.374 | C | S | . | . | trans | -149.4 | 130 | 171.6 | -157.2 | -42.4 | 0 | 0 | 0 | 110.6 | T193 W221 T227 V228 | T193-D225 WeakPolarHBondContact CB-OD2 3.41Å; T193-D225 PolarHBondContact OG1-OD2 3.36Å; W221-D225 PolarHBondContact O-N 2.89Å; D225-T227 VanDerWaalsContact C-N 3.26Å; D225-T227 PolarHBondContact O-N 3.13Å; D225-T227 PolarHBondContact OD1-N 3.03Å; D225-T227 PolarHBondContact OD1-OG1 2.94Å; D225-V228 HydrophobicContact CB-CG2 3.86Å | ||
| 226 | S | 91.6 | Very high | 92.8 | Very high | 105 Ų | 105 | 61.7 Ų | 61.7 | 73% | 0.734 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -17.6 | -179.1 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | V228 | S226-V228 VanDerWaalsContact C-N 3.31Å; S226-V228 PolarHBondContact O-N 2.95Å |
| 227 | T | 91.9 | Very high | 93.1 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 0.1 | 179.7 | 76.9 | 0 | 0 | 0 | 0 | 113.9 | D225 | D225-T227 VanDerWaalsContact C-N 3.26Å; D225-T227 PolarHBondContact O-N 3.13Å; D225-T227 PolarHBondContact OD1-N 3.03Å; D225-T227 PolarHBondContact OD1-OG1 2.94Å |
| 228 | V | 94.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | trans | -88.7 | 122.9 | -173.8 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | V194 C197 W221 D225 S226 L233 | V194-V228 HydrophobicContact CB-CG2 4.38Å; V194-V228 HydrophobicContact CG1-CG2 4.29Å; V194-V228 HydrophobicContact CG2-CG2 3.9Å; C197-V228 HydrophobicContact CB-CG1 4.49Å; W221-V228 HydrophobicContact CB-CG1 4Å; W221-V228 HydrophobicContact CG-CB 4.5Å; W221-V228 HydrophobicContact CG-CG1 3.88Å; W221-V228 PolarHBondContact NE1-O 3.14Å; W221-V228 VanDerWaalsContact NE1-O 3.07Å; D225-V228 HydrophobicContact CB-CG2 3.86Å; S226-V228 VanDerWaalsContact C-N 3.31Å; S226-V228 PolarHBondContact O-N 2.95Å; V228-L233 HydrophobicContact CG1-CD1 3.66Å; V228-L233 HydrophobicContact CG1-CD2 3.66Å; V228-L233 HydrophobicContact CG1-CG 3.48Å; V228-L233 VanDerWaalsContact CG1-CG 3.48Å | ||
| 229 | T | 94.8 | Very high | 93.6 | Very high | 67 Ų | 67 | 59.1 Ų | 59.1 | 41% | 0.411 | 30% | 0.299 | S | S | . | . | trans | -102.1 | 158.9 | 171.2 | 65.8 | 0 | 0 | 0 | 0 | 111 | E231 L232 L233 | T229-E231 VanDerWaalsContact C-N 3.3Å; T229-E231 PolarHBondContact O-N 3.18Å; T229-L232 PolarHBondContact O-N 3.4Å; T229-L232 WeakPolarHBondContact OG1-CB 3.3Å; T229-L232 PolarHBondContact OG1-N 2.72Å; T229-L233 WeakPolarHBondContact O-CG 3.48Å; T229-L233 PolarHBondContact O-N 3.35Å; T229-L233 VanDerWaalsContact O-N 3.15Å | ||
| 230 | L | 92.9 | Very high | 93.7 | Very high | 79 Ų | 79 | 55.5 Ų | 55.5 | 41% | 0.414 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.3 | -37.5 | 175 | 178.9 | 57.9 | 0 | 0 | 0 | 111.6 | W221 L233 D234 | W221-L230 HydrophobicContact CH2-CB 4.04Å; W221-L230 HydrophobicContact CH2-CD1 3.88Å; W221-L230 HydrophobicContact CH2-CD2 4.49Å; W221-L230 HydrophobicContact CH2-CG 4.35Å; W221-L230 HydrophobicContact CZ2-CB 3.86Å; W221-L230 HydrophobicContact CZ2-CD1 4.49Å; W221-L230 HydrophobicContact CZ3-CD1 4.27Å; L230-L233 PolarHBondContact O-N 3.32Å; L230-D234 PolarHBondContact O-N 2.93Å |
| 231 | E | 95.3 | Very high | 93.7 | Very high | 159 Ų | 159 | 57.4 Ų | 57.4 | 74% | 0.743 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58 | -49.2 | 176.9 | -65.3 | 160.5 | 177.5 | 0 | 0 | 111.4 | T229 L233 D234 E235 | T229-E231 VanDerWaalsContact C-N 3.3Å; T229-E231 PolarHBondContact O-N 3.18Å; E231-L233 VanDerWaalsContact C-N 3.34Å; E231-L233 PolarHBondContact O-N 3.16Å; E231-D234 PolarHBondContact O-N 3.07Å; E231-E235 WeakPolarHBondContact O-CB 3.5Å; E231-E235 PolarHBondContact O-N 3Å |
| 232 | L | 94.8 | Very high | 93.7 | Very high | 38 Ų | 38 | 61 Ų | 61 | 20% | 0.199 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 176.7 | -178.8 | 65.9 | 0 | 0 | 0 | 111.9 | V194 T229 L236 | V194-L232 HydrophobicContact CG1-CD2 4.36Å; T229-L232 PolarHBondContact O-N 3.4Å; T229-L232 WeakPolarHBondContact OG1-CB 3.3Å; T229-L232 PolarHBondContact OG1-N 2.72Å; L232-L236 HydrophobicContact CD1-CD1 3.81Å; L232-L236 HydrophobicContact CD1-CG 4.03Å; L232-L236 HydrophobicContact CG-CD1 4.02Å; L232-L236 HydrophobicContact CG-CG 4.47Å; L232-L236 WeakPolarHBondContact O-CB 3Å; L232-L236 VanDerWaalsContact O-CG 3.3Å; L232-L236 WeakPolarHBondContact O-CG 3.4Å; L232-L236 PolarHBondContact O-N 3.24Å |
| 233 | L | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -40 | 175.4 | -71.3 | 178.8 | 0 | 0 | 0 | 112.1 | C197 V198 W221 V228 T229 L230 E231 T237 | C197-L233 HydrophobicContact CB-CD2 3.64Å; V198-L233 HydrophobicContact CG2-CD2 3.81Å; W221-L233 HydrophobicContact CB-CD1 4.05Å; W221-L233 HydrophobicContact CD2-CD1 3.66Å; W221-L233 HydrophobicContact CE3-CD1 3.73Å; W221-L233 HydrophobicContact CG-CD1 3.82Å; W221-L233 HydrophobicContact CZ3-CD1 4.43Å; V228-L233 HydrophobicContact CG1-CD1 3.66Å; V228-L233 HydrophobicContact CG1-CD2 3.66Å; V228-L233 HydrophobicContact CG1-CG 3.48Å; V228-L233 VanDerWaalsContact CG1-CG 3.48Å; T229-L233 WeakPolarHBondContact O-CG 3.48Å; T229-L233 PolarHBondContact O-N 3.35Å; T229-L233 VanDerWaalsContact O-N 3.15Å; L230-L233 PolarHBondContact O-N 3.32Å; E231-L233 VanDerWaalsContact C-N 3.34Å; E231-L233 PolarHBondContact O-N 3.16Å; L233-T237 WeakPolarHBondContact O-CB 3.31Å; L233-T237 PolarHBondContact O-N 3.44Å; L233-T237 PolarHBondContact O-OG1 3.21Å |
| 234 | D | 94.8 | Very high | 93.5 | Very high | 62 Ų | 62 | 51.1 Ų | 51.1 | 33% | 0.332 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72.4 | -40.6 | 179.2 | -84.3 | 5.9 | 0 | 0 | 0 | 112.1 | H201 K205 L230 E231 T237 H238 | H201-D234 IonicContact CD2-OD1 2.67Å; H201-D234 IonicContact CE1-OD1 3.69Å; H201-D234 IonicContact NE2-OD1 3.96Å; H201-D234 PolarHBondContact NE2-OD1 3.08Å; K205-D234 IonicContact NZ-OD1 3.65Å; K205-D234 PolarHBondContact NZ-OD1 2.95Å; K205-D234 IonicContact NZ-OD2 2.66Å; K205-D234 PolarHBondContact NZ-OD2 2.81Å; L230-D234 PolarHBondContact O-N 2.93Å; E231-D234 PolarHBondContact O-N 3.07Å; D234-T237 PolarHBondContact O-N 3.2Å; D234-H238 WeakPolarHBondContact O-CB 3.31Å; D234-H238 PolarHBondContact O-N 3.4Å |
| 235 | E | 95.8 | Very high | 93.3 | Very high | 89 Ų | 89 | 54.8 Ų | 54.8 | 42% | 0.416 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.1 | -56 | 173 | -171.6 | -167.1 | 160.9 | 0 | 0 | 111.3 | R15 E231 T237 H238 E239 | R15-E235 IonicContact CZ-OE1 2.68Å; R15-E235 IonicContact NH1-OE1 3.29Å; R15-E235 PolarHBondContact NH1-OE1 3.49Å; R15-E235 IonicContact NH2-OE1 3.74Å; R15-E235 PolarHBondContact NH2-OE1 3.43Å; E231-E235 WeakPolarHBondContact O-CB 3.5Å; E231-E235 PolarHBondContact O-N 3Å; E235-T237 VanDerWaalsContact C-N 3.31Å; E235-T237 PolarHBondContact O-N 3.38Å; E235-H238 WeakPolarHBondContact O-CB 3.27Å; E235-H238 PolarHBondContact O-N 3.43Å; E235-H238 VanDerWaalsContact O-N 3.09Å; E235-E239 PolarHBondContact O-N 3.47Å |
| 236 | L | 96.2 | Very high | 93 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.7 | -28.3 | -177.3 | -63.2 | -179 | 0 | 0 | 0 | 112.8 | F186 Y190 V194 V198 L232 F240 | F186-L236 HydrophobicContact CE1-CD2 3.96Å; F186-L236 HydrophobicContact CE2-CB 4.48Å; F186-L236 HydrophobicContact CZ-CB 4.11Å; F186-L236 HydrophobicContact CZ-CD2 4.08Å; Y190-L236 HydrophobicContact CD1-CD1 4.27Å; Y190-L236 HydrophobicContact CD2-CD1 3.93Å; Y190-L236 HydrophobicContact CD2-CD2 4.35Å; Y190-L236 HydrophobicContact CE1-CD1 4.13Å; Y190-L236 HydrophobicContact CE2-CD1 3.78Å; Y190-L236 HydrophobicContact CE2-CD2 3.48Å; Y190-L236 VanDerWaalsContact CE2-CD2 3.48Å; Y190-L236 HydrophobicContact CE2-CG 4.3Å; Y190-L236 HydrophobicContact CG-CD1 4.19Å; V194-L236 HydrophobicContact CG1-CD1 4.41Å; V198-L236 HydrophobicContact CG1-CB 4.06Å; V198-L236 HydrophobicContact CG2-CB 3.68Å; V198-L236 HydrophobicContact CG2-CD1 3.91Å; V198-L236 HydrophobicContact CG2-CG 4.45Å; L232-L236 HydrophobicContact CD1-CD1 3.81Å; L232-L236 HydrophobicContact CD1-CG 4.03Å; L232-L236 HydrophobicContact CG-CD1 4.02Å; L232-L236 HydrophobicContact CG-CG 4.47Å; L232-L236 WeakPolarHBondContact O-CB 3Å; L232-L236 VanDerWaalsContact O-CG 3.3Å; L232-L236 WeakPolarHBondContact O-CG 3.4Å; L232-L236 PolarHBondContact O-N 3.24Å; L236-F240 VanDerWaalsContact O-CB 3.25Å; L236-F240 WeakPolarHBondContact O-CB 3.17Å; L236-F240 PolarHBondContact O-N 3.22Å |
| 237 | T | 95.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 170.6 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | L202 L233 D234 E235 L241 | L202-T237 HydrophobicContact CB-CG2 4.01Å; L202-T237 HydrophobicContact CD1-CG2 4.01Å; L233-T237 WeakPolarHBondContact O-CB 3.31Å; L233-T237 PolarHBondContact O-N 3.44Å; L233-T237 PolarHBondContact O-OG1 3.21Å; D234-T237 PolarHBondContact O-N 3.2Å; E235-T237 VanDerWaalsContact C-N 3.31Å; E235-T237 PolarHBondContact O-N 3.38Å; T237-L241 HydrophobicContact CG2-CD1 4.07Å; T237-L241 VanDerWaalsContact O-CB 3.31Å; T237-L241 WeakPolarHBondContact O-CB 3.48Å; T237-L241 VanDerWaalsContact O-CG 3.32Å; T237-L241 WeakPolarHBondContact O-CG 3.42Å; T237-L241 PolarHBondContact O-N 2.91Å |
| 238 | H | 94.7 | Very high | 91.5 | Very high | 121 Ų | 121 | 56 Ų | 56 | 56% | 0.56 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -70.2 | -44.5 | 176.6 | -171 | 73.4 | 0 | 0 | 0 | 112.1 | D234 E235 F240 L241 Q242 | D234-H238 WeakPolarHBondContact O-CB 3.31Å; D234-H238 PolarHBondContact O-N 3.4Å; E235-H238 WeakPolarHBondContact O-CB 3.27Å; E235-H238 PolarHBondContact O-N 3.43Å; E235-H238 VanDerWaalsContact O-N 3.09Å; H238-F240 VanDerWaalsContact C-N 3.35Å; H238-F240 PolarHBondContact O-N 2.94Å; H238-L241 PolarHBondContact O-N 2.99Å; H238-Q242 PolarHBondContact O-N 2.99Å |
| 239 | E | 94.7 | Very high | 90.6 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 23% | 0.229 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.4 | -48.4 | 174.1 | -169.1 | -174 | 139.3 | 0 | 0 | 110.9 | R15 F186 E235 Q242 I243 | R15-E239 IonicContact CZ-OE2 3.2Å; R15-E239 IonicContact NE-OE2 2.87Å; R15-E239 IonicContact NH2-OE2 2.67Å; R15-E239 PolarHBondContact NH2-OE2 3.44Å; F186-E239 HydrophobicContact CE1-CG 4.47Å; F186-E239 WeakPolarHBondContact CE1-OE1 3.37Å; F186-E239 HydrophobicContact CZ-CB 4.43Å; E235-E239 PolarHBondContact O-N 3.47Å; E239-Q242 PolarHBondContact O-N 3.23Å; E239-I243 HydrophobicContact CG-CD1 4.3Å; E239-I243 WeakPolarHBondContact O-CG1 3.49Å; E239-I243 PolarHBondContact O-N 3.04Å; E239-I243 VanDerWaalsContact O-N 3.17Å |
| 240 | F | 94.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.4 | -38.4 | 179.9 | -172 | -159.9 | 0 | 0 | 0 | 112.7 | M176 N179 S180 T184 F186 L202 L236 H238 I243 L244 | M176-F240 HydrophobicContact CB-CE1 4.25Å; N179-F240 HydrophobicContact CB-CE2 4.34Å; N179-F240 HydrophobicContact CB-CZ 3.92Å; S180-F240 VanDerWaalsContact N-CZ 3.33Å; T184-F240 HydrophobicContact CG2-CD2 3.61Å; T184-F240 HydrophobicContact CG2-CE2 4.04Å; T184-F240 HydrophobicContact CG2-CG 4.37Å; F186-F240 HydrophobicContact CE2-CB 3.92Å; F186-F240 HydrophobicContact CE2-CG 4.25Å; F186-F240 HydrophobicContact CZ-CB 4.1Å; L202-F240 HydrophobicContact CD2-CD1 3.58Å; L202-F240 HydrophobicContact CD2-CE1 3.81Å; L202-F240 HydrophobicContact CD2-CG 4.38Å; L236-F240 VanDerWaalsContact O-CB 3.25Å; L236-F240 WeakPolarHBondContact O-CB 3.17Å; L236-F240 PolarHBondContact O-N 3.22Å; H238-F240 VanDerWaalsContact C-N 3.35Å; H238-F240 PolarHBondContact O-N 2.94Å; F240-I243 PolarHBondContact O-N 3.38Å; F240-L244 HydrophobicContact CD1-CD1 4.42Å; F240-L244 HydrophobicContact CD2-CD1 3.89Å; F240-L244 HydrophobicContact CD2-CG 3.99Å; F240-L244 HydrophobicContact CE1-CD1 4.36Å; F240-L244 HydrophobicContact CE2-CD1 3.82Å; F240-L244 HydrophobicContact CE2-CD2 4.23Å; F240-L244 HydrophobicContact CE2-CG 3.86Å; F240-L244 HydrophobicContact CG-CD1 4.18Å; F240-L244 HydrophobicContact CZ-CD1 4.06Å; F240-L244 HydrophobicContact CZ-CG 4.49Å; F240-L244 WeakPolarHBondContact O-CB 3.46Å; F240-L244 VanDerWaalsContact O-CG 3.32Å; F240-L244 WeakPolarHBondContact O-CG 3.28Å; F240-L244 PolarHBondContact O-N 3.41Å |
| 241 | L | 91.9 | Very high | 88.6 | Confident | 57 Ų | 57 | 54.7 Ų | 54.7 | 30% | 0.298 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 173.1 | -85.5 | 168.8 | 0 | 0 | 0 | 111.9 | L202 T237 H238 I243 L244 E245 | L202-L241 HydrophobicContact CD1-CD1 4.01Å; L202-L241 HydrophobicContact CD1-CD2 3.71Å; L202-L241 HydrophobicContact CD1-CG 3.76Å; T237-L241 HydrophobicContact CG2-CD1 4.07Å; T237-L241 VanDerWaalsContact O-CB 3.31Å; T237-L241 WeakPolarHBondContact O-CB 3.48Å; T237-L241 VanDerWaalsContact O-CG 3.32Å; T237-L241 WeakPolarHBondContact O-CG 3.42Å; T237-L241 PolarHBondContact O-N 2.91Å; H238-L241 PolarHBondContact O-N 2.99Å; L241-I243 VanDerWaalsContact C-N 3.27Å; L241-I243 PolarHBondContact O-N 2.95Å; L241-L244 WeakPolarHBondContact O-CB 3.47Å; L241-L244 PolarHBondContact O-N 3.27Å; L241-L244 VanDerWaalsContact O-N 3.13Å; L241-E245 WeakPolarHBondContact O-CG 3.44Å; L241-E245 PolarHBondContact O-N 3.09Å |
| 242 | Q | 92.4 | Very high | 87.6 | Confident | 92 Ų | 92 | 53.8 Ų | 53.8 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.2 | -38.9 | 179 | -163.6 | -163.2 | 88.3 | 0 | 0 | 111.6 | H238 E239 E245 K246 | H238-Q242 PolarHBondContact O-N 2.99Å; E239-Q242 PolarHBondContact O-N 3.23Å; Q242-E245 PolarHBondContact O-N 3.09Å; Q242-K246 WeakPolarHBondContact O-CB 3.32Å; Q242-K246 VanDerWaalsContact O-CG 3.3Å; Q242-K246 WeakPolarHBondContact O-CG 3.45Å; Q242-K246 PolarHBondContact O-N 2.83Å |
| 243 | I | 90.9 | Very high | 86.6 | Confident | 16 Ų | 16 | 59 Ų | 59 | 8% | 0.082 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.3 | -38.5 | 176.2 | -64.2 | 167.5 | 0 | 0 | 0 | 111.6 | L183 T184 E239 F240 L241 E245 K246 T247 | L183-I243 HydrophobicContact CB-CG2 3.85Å; L183-I243 WeakPolarHBondContact O-CG2 3.41Å; T184-I243 HydrophobicContact CG2-CD1 3.98Å; E239-I243 HydrophobicContact CG-CD1 4.3Å; E239-I243 WeakPolarHBondContact O-CG1 3.49Å; E239-I243 PolarHBondContact O-N 3.04Å; E239-I243 VanDerWaalsContact O-N 3.17Å; F240-I243 PolarHBondContact O-N 3.38Å; L241-I243 VanDerWaalsContact C-N 3.27Å; L241-I243 PolarHBondContact O-N 2.95Å; I243-E245 VanDerWaalsContact C-N 3.35Å; I243-K246 PolarHBondContact O-N 2.95Å; I243-T247 PolarHBondContact O-N 3.41Å; I243-T247 PolarHBondContact O-OG1 3.09Å |
| 244 | L | 87.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 174 | -78.6 | 163 | 0 | 0 | 0 | 112 | L183 L202 F240 L241 T247 I254 | L183-L244 HydrophobicContact CD1-CD2 3.52Å; L183-L244 HydrophobicContact CD1-CG 4.2Å; L202-L244 HydrophobicContact CD2-CD1 4.01Å; F240-L244 HydrophobicContact CD1-CD1 4.42Å; F240-L244 HydrophobicContact CD2-CD1 3.89Å; F240-L244 HydrophobicContact CD2-CG 3.99Å; F240-L244 HydrophobicContact CE1-CD1 4.36Å; F240-L244 HydrophobicContact CE2-CD1 3.82Å; F240-L244 HydrophobicContact CE2-CD2 4.23Å; F240-L244 HydrophobicContact CE2-CG 3.86Å; F240-L244 HydrophobicContact CG-CD1 4.18Å; F240-L244 HydrophobicContact CZ-CD1 4.06Å; F240-L244 HydrophobicContact CZ-CG 4.49Å; F240-L244 WeakPolarHBondContact O-CB 3.46Å; F240-L244 VanDerWaalsContact O-CG 3.32Å; F240-L244 WeakPolarHBondContact O-CG 3.28Å; F240-L244 PolarHBondContact O-N 3.41Å; L241-L244 WeakPolarHBondContact O-CB 3.47Å; L241-L244 PolarHBondContact O-N 3.27Å; L241-L244 VanDerWaalsContact O-N 3.13Å; L244-T247 CarbonylContact O-C 2.93Å; L244-T247 PolarHBondContact O-N 2.79Å; L244-T247 VanDerWaalsContact O-N 3.13Å; L244-I254 HydrophobicContact CD2-CD1 3.82Å |
| 245 | E | 87.9 | Confident | 84.6 | Confident | 109 Ų | 109 | 62.8 Ų | 62.8 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71.2 | -39.7 | 177.4 | -71.3 | -177.4 | 159.1 | 0 | 0 | 112.7 | L241 Q242 I243 T247 L251 | L241-E245 WeakPolarHBondContact O-CG 3.44Å; L241-E245 PolarHBondContact O-N 3.09Å; Q242-E245 PolarHBondContact O-N 3.09Å; I243-E245 VanDerWaalsContact C-N 3.35Å; E245-T247 PolarHBondContact O-N 3.45Å; E245-L251 HydrophobicContact CG-CD2 4Å |
| 246 | K | 86.1 | Confident | 83.7 | Confident | 131 Ų | 131 | 63.6 Ų | 63.6 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -14.9 | 166.8 | -74.2 | 171.3 | 177.3 | 174.9 | 0 | 113.2 | Q242 I243 P248 | Q242-K246 WeakPolarHBondContact O-CB 3.32Å; Q242-K246 VanDerWaalsContact O-CG 3.3Å; Q242-K246 WeakPolarHBondContact O-CG 3.45Å; Q242-K246 PolarHBondContact O-N 2.83Å; I243-K246 PolarHBondContact O-N 2.95Å; K246-P248 WeakPolarHBondContact O-CD 3.45Å |
| 247 | T | 81.9 | Confident | 82.5 | Confident | 23 Ų | 23 | 67 Ų | 67 | 14% | 0.141 | 32% | 0.317 | C | S | . | . | trans | -114.4 | 64.3 | -179.7 | -40.2 | 0 | 0 | 0 | 0 | 112.3 | L183 I243 L244 E245 S249 R250 L251 | L183-T247 HydrophobicContact CD2-CG2 4.11Å; I243-T247 PolarHBondContact O-N 3.41Å; I243-T247 PolarHBondContact O-OG1 3.09Å; L244-T247 CarbonylContact O-C 2.93Å; L244-T247 PolarHBondContact O-N 2.79Å; L244-T247 VanDerWaalsContact O-N 3.13Å; E245-T247 PolarHBondContact O-N 3.45Å; T247-S249 VanDerWaalsContact C-N 3.3Å; T247-S249 PolarHBondContact O-N 2.97Å; T247-S249 VanDerWaalsContact O-N 3.14Å; T247-R250 HydrophobicContact CG2-CB 3.59Å; T247-R250 WeakPolarHBondContact O-CA 3.45Å; T247-R250 VanDerWaalsContact O-CB 3.3Å; T247-R250 WeakPolarHBondContact O-CB 3.25Å; T247-R250 PolarHBondContact O-N 3.09Å; T247-L251 PolarHBondContact O-N 3.5Å | ||
| 248 | P | 70.1 | Confident | 81.2 | Confident | 76 Ų | 76 | 69.5 Ų | 69.5 | 49% | 0.494 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.5 | -26.7 | -166.3 | 25.2 | -35.9 | 0 | 0 | 0 | 114.7 | K246 K252 | K246-P248 WeakPolarHBondContact O-CD 3.45Å; P248-K252 WeakPolarHBondContact O-CB 3.28Å; P248-K252 VanDerWaalsContact O-CG 3.25Å; P248-K252 WeakPolarHBondContact O-CG 3.28Å; P248-K252 PolarHBondContact O-N 3.4Å |
| 249 | S | 74.6 | Confident | 80.2 | Confident | 89 Ų | 89 | 66.6 Ų | 66.6 | 62% | 0.622 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.5 | -39.3 | 172.6 | 55.4 | 0 | 0 | 0 | 0 | 112 | T247 R253 | T247-S249 VanDerWaalsContact C-N 3.3Å; T247-S249 PolarHBondContact O-N 2.97Å; T247-S249 VanDerWaalsContact O-N 3.14Å; S249-R253 PolarHBondContact O-N 3.49Å |
| 250 | R | 72.2 | Confident | 79.1 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 6% | 0.057 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.1 | -49.4 | 173.9 | -156.6 | 105.3 | 175.5 | -174 | -1.8 | 110 | N42 N179 H182 L183 T247 K252 R253 I254 | N42-R250 PolarHBondContact OD1-NH1 3.31Å; N179-R250 PolarHBondContact OD1-NE 2.98Å; N179-R250 PolarHBondContact OD1-NH2 2.93Å; H182-R250 VanDerWaalsContact CB-NH2 3.27Å; H182-R250 PolarHBondContact ND1-NH1 2.92Å; H182-R250 PolarHBondContact ND1-NH2 3.34Å; L183-R250 HydrophobicContact CD1-CG 4.25Å; T247-R250 HydrophobicContact CG2-CB 3.59Å; T247-R250 WeakPolarHBondContact O-CA 3.45Å; T247-R250 VanDerWaalsContact O-CB 3.3Å; T247-R250 WeakPolarHBondContact O-CB 3.25Å; T247-R250 PolarHBondContact O-N 3.09Å; R250-K252 VanDerWaalsContact C-N 3.34Å; R250-K252 PolarHBondContact O-N 2.62Å; R250-R253 WeakPolarHBondContact O-CA 3.23Å; R250-R253 WeakPolarHBondContact O-CB 3.3Å; R250-R253 PolarHBondContact O-N 3.04Å; R250-I254 VanDerWaalsContact O-CG1 3.3Å; R250-I254 WeakPolarHBondContact O-CG1 3.42Å; R250-I254 PolarHBondContact O-N 3.3Å |
| 251 | L | 73.1 | Confident | 77.8 | Confident | 17 Ų | 17 | 69.9 Ų | 69.9 | 9% | 0.089 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 179.2 | -174.2 | 54.3 | 0 | 0 | 0 | 112.9 | W206 E245 T247 I254 R255 | W206-L251 HydrophobicContact CH2-CD1 3.68Å; W206-L251 HydrophobicContact CZ2-CD1 4.06Å; E245-L251 HydrophobicContact CG-CD2 4Å; T247-L251 PolarHBondContact O-N 3.5Å; L251-I254 PolarHBondContact O-N 3.07Å; L251-R255 WeakPolarHBondContact O-CG 3.39Å; L251-R255 PolarHBondContact O-N 2.98Å |
| 252 | K | 74.5 | Confident | 76.8 | Confident | 140 Ų | 140 | 70.2 Ų | 70.2 | 61% | 0.609 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.9 | -44 | 169.4 | -76.7 | 174.2 | -179.9 | -177.3 | 0 | 111.8 | P248 R250 I254 R255 N256 | P248-K252 WeakPolarHBondContact O-CB 3.28Å; P248-K252 VanDerWaalsContact O-CG 3.25Å; P248-K252 WeakPolarHBondContact O-CG 3.28Å; P248-K252 PolarHBondContact O-N 3.4Å; R250-K252 VanDerWaalsContact C-N 3.34Å; R250-K252 PolarHBondContact O-N 2.62Å; K252-I254 VanDerWaalsContact C-N 3.32Å; K252-I254 PolarHBondContact O-N 3.27Å; K252-R255 PolarHBondContact O-N 3.13Å; K252-N256 WeakPolarHBondContact O-CB 3.46Å; K252-N256 VanDerWaalsContact O-CG 3.28Å; K252-N256 PolarHBondContact O-N 3.25Å; K252-N256 PolarHBondContact O-OD1 3Å |
| 253 | R | 74.7 | Confident | 75.8 | Confident | 148 Ų | 148 | 70 Ų | 70 | 56% | 0.558 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.8 | -40.4 | 174.8 | -165.6 | -172.7 | -66.9 | 174.3 | -4.1 | 111.9 | S249 R250 W257 | S249-R253 PolarHBondContact O-N 3.49Å; R250-R253 WeakPolarHBondContact O-CA 3.23Å; R250-R253 WeakPolarHBondContact O-CB 3.3Å; R250-R253 PolarHBondContact O-N 3.04Å; R253-W257 VanDerWaalsContact O-CB 3.23Å; R253-W257 WeakPolarHBondContact O-CB 3.34Å; R253-W257 PolarHBondContact O-N 2.92Å |
| 254 | I | 72 | Confident | 74.6 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 176.7 | -41.3 | -170.3 | 0 | 0 | 0 | 111.3 | F175 M176 W206 L244 R250 L251 K252 N256 W257 R258 | F175-I254 HydrophobicContact CD1-CG2 4.41Å; F175-I254 HydrophobicContact CE1-CB 4.25Å; F175-I254 HydrophobicContact CE1-CD1 3.75Å; F175-I254 HydrophobicContact CE1-CG1 3.61Å; F175-I254 HydrophobicContact CE1-CG2 3.96Å; F175-I254 HydrophobicContact CZ-CG1 4.03Å; M176-I254 HydrophobicContact CE-CG2 4Å; W206-I254 HydrophobicContact CH2-CB 3.98Å; W206-I254 HydrophobicContact CH2-CD1 3.93Å; W206-I254 HydrophobicContact CH2-CG1 4.49Å; W206-I254 HydrophobicContact CH2-CG2 3.61Å; W206-I254 HydrophobicContact CZ2-CG2 4.29Å; W206-I254 HydrophobicContact CZ3-CD1 4.12Å; W206-I254 HydrophobicContact CZ3-CG2 3.97Å; L244-I254 HydrophobicContact CD2-CD1 3.82Å; R250-I254 VanDerWaalsContact O-CG1 3.3Å; R250-I254 WeakPolarHBondContact O-CG1 3.42Å; R250-I254 PolarHBondContact O-N 3.3Å; L251-I254 PolarHBondContact O-N 3.07Å; K252-I254 VanDerWaalsContact C-N 3.32Å; K252-I254 PolarHBondContact O-N 3.27Å; I254-N256 PolarHBondContact O-N 2.93Å; I254-W257 PolarHBondContact O-N 2.92Å; I254-R258 PolarHBondContact O-N 3.29Å |
| 255 | R | 75.5 | Confident | 73 | Confident | 141 Ų | 141 | 81.9 Ų | 81.9 | 53% | 0.532 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 179.7 | -68.8 | 174.9 | -177.2 | 164.9 | 1.4 | 111.3 | L251 K252 R258 A259 | L251-R255 WeakPolarHBondContact O-CG 3.39Å; L251-R255 PolarHBondContact O-N 2.98Å; K252-R255 PolarHBondContact O-N 3.13Å; R255-R258 PolarHBondContact O-N 3.48Å; R255-A259 WeakPolarHBondContact O-CB 3.46Å; R255-A259 PolarHBondContact O-N 3.5Å |
| 256 | N | 76.1 | Confident | 70.9 | Confident | 106 Ų | 106 | 82.2 Ų | 82.2 | 57% | 0.567 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67.7 | -38 | 177.9 | -67.9 | 12 | 0 | 0 | 0 | 112.5 | K252 I254 A259 T260 | K252-N256 WeakPolarHBondContact O-CB 3.46Å; K252-N256 VanDerWaalsContact O-CG 3.28Å; K252-N256 PolarHBondContact O-N 3.25Å; K252-N256 PolarHBondContact O-OD1 3Å; I254-N256 PolarHBondContact O-N 2.93Å; N256-A259 PolarHBondContact O-N 3.38Å; N256-T260 WeakPolarHBondContact O-CB 3.42Å; N256-T260 PolarHBondContact O-N 3.26Å; N256-T260 PolarHBondContact O-OG1 3.31Å |
| 257 | W | 70.4 | Confident | 68.8 | Low | 73 Ų | 73 | 85.9 Ų | 85.9 | 28% | 0.277 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 173.8 | 176.2 | 86.3 | 0 | 0 | 0 | 111.2 | Q171 R253 I254 A259 T260 Q261 | Q171-W257 HydrophobicContact CB-CH2 3.82Å; Q171-W257 HydrophobicContact CB-CZ2 4.13Å; R253-W257 VanDerWaalsContact O-CB 3.23Å; R253-W257 WeakPolarHBondContact O-CB 3.34Å; R253-W257 PolarHBondContact O-N 2.92Å; I254-W257 PolarHBondContact O-N 2.92Å; W257-A259 PolarHBondContact O-N 3.47Å; W257-T260 WeakPolarHBondContact O-CB 3.45Å; W257-T260 PolarHBondContact O-N 3.4Å; W257-T260 VanDerWaalsContact O-N 3.15Å; W257-Q261 HydrophobicContact CD2-CG 4.22Å; W257-Q261 HydrophobicContact CH2-CG 4.2Å; W257-Q261 HydrophobicContact CZ2-CG 3.85Å; W257-Q261 WeakPolarHBondContact O-CG 3.45Å; W257-Q261 PolarHBondContact O-N 3.05Å |
| 258 | R | 69.8 | Low | 66.7 | Low | 55 Ų | 55 | 90 Ų | 90 | 21% | 0.208 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 174.7 | -83.6 | -171.7 | 155.1 | -149.8 | -13.8 | 112.8 | T172 W206 S207 I254 R255 T260 Q261 A262 | T172-R258 VanDerWaalsContact CG2-NH2 3.32Å; T172-R258 PolarHBondContact OG1-NH2 2.84Å; T172-R258 VanDerWaalsContact OG1-NH2 3.11Å; W206-R258 PolarHBondContact O-NH1 3.42Å; S207-R258 PolarHBondContact OG-NH2 2.97Å; I254-R258 PolarHBondContact O-N 3.29Å; R255-R258 PolarHBondContact O-N 3.48Å; R258-T260 PolarHBondContact O-N 3.27Å; R258-Q261 PolarHBondContact O-N 3.13Å; R258-A262 WeakPolarHBondContact O-CB 3.49Å; R258-A262 PolarHBondContact O-N 3.4Å |
| 259 | A | 72.2 | Confident | 65.2 | Low | 60 Ų | 60 | 95.3 Ų | 95.3 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R255 N256 W257 A262 A263 | R255-A259 WeakPolarHBondContact O-CB 3.46Å; R255-A259 PolarHBondContact O-N 3.5Å; N256-A259 PolarHBondContact O-N 3.38Å; W257-A259 PolarHBondContact O-N 3.47Å; A259-A262 PolarHBondContact O-N 2.8Å; A259-A263 WeakPolarHBondContact O-CB 3.32Å; A259-A263 PolarHBondContact O-N 2.66Å |
| 260 | T | 72.4 | Confident | 63.2 | Low | 73 Ų | 73 | 98.6 Ų | 98.6 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 176.7 | -53.8 | 0 | 0 | 0 | 0 | 112.2 | N256 W257 R258 K264 | N256-T260 WeakPolarHBondContact O-CB 3.42Å; N256-T260 PolarHBondContact O-N 3.26Å; N256-T260 PolarHBondContact O-OG1 3.31Å; W257-T260 WeakPolarHBondContact O-CB 3.45Å; W257-T260 PolarHBondContact O-N 3.4Å; W257-T260 VanDerWaalsContact O-N 3.15Å; R258-T260 PolarHBondContact O-N 3.27Å; T260-K264 WeakPolarHBondContact O-CG 3.44Å; T260-K264 PolarHBondContact O-N 3.18Å |
| 261 | Q | 68 | Low | 61.5 | Low | 46 Ų | 46 | 106.4 Ų | 106.4 | 22% | 0.215 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -70.8 | -37.5 | 175.5 | -61.2 | -64.9 | 56.7 | 0 | 0 | 112 | W257 R258 K264 | W257-Q261 HydrophobicContact CD2-CG 4.22Å; W257-Q261 HydrophobicContact CH2-CG 4.2Å; W257-Q261 HydrophobicContact CZ2-CG 3.85Å; W257-Q261 WeakPolarHBondContact O-CG 3.45Å; W257-Q261 PolarHBondContact O-N 3.05Å; R258-Q261 PolarHBondContact O-N 3.13Å; Q261-K264 PolarHBondContact O-N 3.27Å |
| 262 | A | 70.1 | Confident | 59.7 | Low | 63 Ų | 63 | 114.8 Ų | 114.8 | 52% | 0.521 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.1 | -43 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R258 A259 K264 K265 | R258-A262 WeakPolarHBondContact O-CB 3.49Å; R258-A262 PolarHBondContact O-N 3.4Å; A259-A262 PolarHBondContact O-N 2.8Å; A262-K264 PolarHBondContact O-N 3.31Å; A262-K265 PolarHBondContact O-N 3.08Å |
| 263 | A | 70.8 | Confident | 57.6 | Low | 88 Ų | 88 | 113.6 Ų | 113.6 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.8 | -17.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A259 | A259-A263 WeakPolarHBondContact O-CB 3.32Å; A259-A263 PolarHBondContact O-N 2.66Å |
| 264 | K | 66.3 | Low | 55.7 | Low | 146 Ų | 146 | 115.5 Ų | 115.5 | 64% | 0.635 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -2.6 | 175.8 | -82.5 | 176.8 | 174.4 | -174.6 | 0 | 114.3 | T260 Q261 A262 P266 | T260-K264 WeakPolarHBondContact O-CG 3.44Å; T260-K264 PolarHBondContact O-N 3.18Å; Q261-K264 PolarHBondContact O-N 3.27Å; A262-K264 PolarHBondContact O-N 3.31Å; K264-P266 WeakPolarHBondContact O-CD 3.44Å |
| 265 | K | 53.8 | Low | 53.9 | Low | 121 Ų | 121 | 122.6 Ų | 122.6 | 53% | 0.526 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -69.5 | 118.7 | 172.8 | -67.2 | -170.2 | 175.9 | -173.6 | 0 | 109.1 | D168 A262 K267 | D168-K265 WeakPolarHBondContact OD2-CE 3.38Å; D168-K265 IonicContact OD2-NZ 2.76Å; D168-K265 PolarHBondContact OD2-NZ 3.28Å; A262-K265 PolarHBondContact O-N 3.08Å; K265-K267 PolarHBondContact O-N 3.45Å |
| 266 | P | 43.5 | Very low | 51.7 | Low | 116 Ų | 116 | 123.9 Ų | 123.9 | 75% | 0.753 | 67% | 0.665 | S | S | * | * | trans | -63.6 | 136.9 | 174.8 | 27.7 | -33.5 | 0 | 0 | 0 | 109 | K264 S268 | K264-P266 WeakPolarHBondContact O-CD 3.44Å; P266-S268 VanDerWaalsContact C-N 3.27Å; P266-S268 PolarHBondContact O-N 2.91Å | ||
| 267 | K | 43.5 | Very low | 49.7 | Very low | 207 Ų | 207 | 123.1 Ų | 123.1 | 90% | 0.9 | 67% | 0.674 | S | S | * | * | trans | -73 | 85.2 | 167.1 | -75.7 | -174.6 | 173.5 | -175.4 | 0 | 108.8 | K265 | K265-K267 PolarHBondContact O-N 3.45Š| ||
| 268 | S | 38.1 | Very low | 47.6 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 76% | 0.762 | 70% | 0.702 | S | S | * | * | trans | -61.6 | 138.9 | 153.6 | 52.1 | 0 | 0 | 0 | 0 | 108.4 | P266 | P266-S268 VanDerWaalsContact C-N 3.27Å; P266-S268 PolarHBondContact O-N 2.91Å | ||
| 269 | E | 38.4 | Very low | 45.6 | Very low | 188 Ų | 188 | 131 Ų | 131 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | trans | -63 | 148.5 | -158.7 | -63.4 | 149.3 | 118.6 | 0 | 0 | 114.7 | ||||
| 270 | N | 31.8 | Very low | 43.4 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | trans | -154.6 | 90.6 | 147.2 | -162 | 81.4 | 0 | 0 | 0 | 109.6 | ||||
| 271 | M | 37.5 | Very low | 41.8 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -147.6 | 74.4 | 175.5 | -164.5 | -179 | 83.5 | 0 | 0 | 112.3 | ||||
| 272 | Q | 35.2 | Very low | 40 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | trans | -155.7 | 101.8 | 151.3 | -112.7 | 162.1 | 27.8 | 0 | 0 | 110 | ||||
| 273 | S | 29.2 | Very low | 38.2 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -148.1 | 107.9 | 165.7 | 58.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 274 | M | 34.3 | Very low | 36.1 | Very low | 188 Ų | 188 | 145 Ų | 145 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | trans | -140.2 | 140.1 | 162.4 | -97.8 | 179.6 | 69 | 0 | 0 | 107 | ||||
| 275 | D | 34.7 | Very low | 34.4 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -72.1 | 151.3 | -166.2 | -54.7 | -92.2 | 0 | 0 | 0 | 113.5 | ||||
| 276 | N | 28.8 | Very low | 33 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | -159.8 | 144.8 | 117.6 | -106.9 | -34.1 | 0 | 0 | 0 | 111.3 | |||||
| 277 | A | 34.5 | Very low | 32.4 | Very low | 90 Ų | 90 | 148.1 Ų | 148.1 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | -127.5 | 110.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 278 | F | 26.6 | Very low | 31.5 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | -156.9 | 136.2 | 156.3 | -139.6 | -115.2 | 0 | 0 | 0 | 112.4 | ||||
| 279 | S | 27.1 | Very low | 31 | Very low | 94 Ų | 94 | 143.6 Ų | 143.6 | 66% | 0.657 | 81% | 0.805 | S | S | * | * | trans | 35.6 | 133.7 | 154.1 | -57.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 280 | G | 27.4 | Very low | 30.5 | Very low | 67 Ų | 67 | 140.5 Ų | 140.5 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | -68.6 | -177 | 154.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 281 | P | 38.9 | Very low | 30.3 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | -135.6 | -179.3 | 73.6 | 40.5 | -29.3 | 0 | 0 | 0 | 114.6 | |||||
| 282 | S | 28.8 | Very low | 30 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -98.1 | 140.1 | 166.9 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 283 | L | 32.2 | Very low | 30.2 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -152 | 170.4 | 154.1 | -141.6 | 73.3 | 0 | 0 | 0 | 111.5 | ||||
| 284 | L | 27.9 | Very low | 30.1 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | -94 | -175.6 | -165.7 | -61.7 | 160 | 0 | 0 | 0 | 112.7 | ||||
| 285 | Q | 29.4 | Very low | 30 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | trans | 75.6 | 142.3 | 157.2 | -105.1 | 137.9 | -19.4 | 0 | 0 | 116.9 | ||||
| 286 | D | 25 | Very low | 29.7 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 60% | 0.604 | 78% | 0.782 | S | S | * | * | cis | -157.2 | 179 | -11.1 | -138.2 | -11.1 | 0 | 0 | 0 | 113.8 | ||||
| 287 | H | 30.3 | Very low | 29.7 | Very low | 169 Ų | 169 | 124 Ų | 124 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | trans | 1.6 | 122.3 | 155.1 | -69.5 | 54 | 0 | 0 | 0 | 116.8 | ||||
| 288 | G | 26 | Very low | 29.5 | Very low | 76 Ų | 76 | 125 Ų | 125 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | 104 | 165.1 | 87.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 289 | D | 27.6 | Very low | 29.6 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | cis | -159.4 | 161.6 | -10.1 | -156.2 | -28.3 | 0 | 0 | 0 | 109.1 | ||||
| 290 | T | 26.7 | Very low | 30.4 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 44.3 | 119.6 | 154.8 | -61.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 291 | A | 28.6 | Very low | 30.4 | Very low | 90 Ų | 90 | 126.3 Ų | 126.3 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | 168.7 | 138.9 | 123.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 292 | L | 30.8 | Very low | 29.9 | Very low | 169 Ų | 169 | 129 Ų | 129 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | -120.1 | -174.6 | 154.4 | -62.8 | 173.7 | 0 | 0 | 0 | 106.5 | ||||
| 293 | P | 40.3 | Very low | 29.8 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | cis | -141.3 | 178.8 | 0.5 | 43.4 | -25.4 | 0 | 0 | 0 | 117.1 | ||||
| 294 | G | 27.1 | Very low | 29.6 | Very low | 77 Ų | 77 | 129.8 Ų | 129.8 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 90.7 | 160.6 | 150.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 295 | V | 31.4 | Very low | 29.6 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | cis | -164.2 | 159.9 | -13.1 | 73.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 296 | S | 28.5 | Very low | 29.5 | Very low | 110 Ų | 110 | 122.7 Ų | 122.7 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 70 | 153.7 | 164.9 | -72.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 297 | S | 29.5 | Very low | 29.8 | Very low | 100 Ų | 100 | 122 Ų | 122 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | cis | -161.6 | 164.9 | -5.3 | 44.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 298 | S | 29.8 | Very low | 29.6 | Very low | 111 Ų | 111 | 116.3 Ų | 116.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 71.2 | 124.1 | 151.6 | 51.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 299 | N | 27.3 | Very low | 29.6 | Very low | 160 Ų | 160 | 120.3 Ų | 120.3 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -86.1 | 175.3 | 166.7 | -83.8 | -14.5 | 0 | 0 | 0 | 111.9 | ||||
| 300 | P | 45.6 | Very low | 29.4 | Very low | 120 Ų | 120 | 119 Ų | 119 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | cis | -132.9 | -146.7 | 27.1 | 34.1 | -7.1 | 0 | 0 | 0 | 113.9 | ||||
| 301 | S | 27.3 | Very low | 29.5 | Very low | 108 Ų | 108 | 119.2 Ų | 119.2 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | cis | -166.1 | -168.6 | 19.9 | -150.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 302 | F | 27.8 | Very low | 29.7 | Very low | 193 Ų | 193 | 121.1 Ų | 121.1 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -68.9 | 176.4 | -179.2 | -89.7 | -136.6 | 0 | 0 | 0 | 116 | ||||
| 303 | S | 26 | Very low | 29.6 | Very low | 101 Ų | 101 | 120.5 Ų | 120.5 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | cis | 166.4 | 170.5 | -21.7 | -80.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 304 | K | 29.1 | Very low | 29.4 | Very low | 193 Ų | 193 | 120.3 Ų | 120.3 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | cis | -169.7 | 147.3 | -17.5 | 157.7 | -178.5 | 171.6 | -175.2 | 0 | 109 | ||||
| 305 | A | 28.2 | Very low | 29.2 | Very low | 98 Ų | 98 | 119 Ų | 119 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | 64.6 | 164.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 306 | G | 27.4 | Very low | 29.1 | Very low | 63 Ų | 63 | 122.2 Ų | 122.2 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | cis | 162 | 171.6 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 307 | A | 30.5 | Very low | 29 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | 79.5 | 164.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 308 | A | 26.6 | Very low | 29 | Very low | 50 Ų | 50 | 129.3 Ų | 129.3 | 41% | 0.413 | 77% | 0.766 | S | S | . | * | trans | -139.3 | -168.4 | -158.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I562 | A308-I562 HydrophobicContact CB-CB 4.39Å; A308-I562 HydrophobicContact CB-CD1 3.91Å; A308-I562 HydrophobicContact CB-CG2 3.85Å | ||
| 309 | F | 26 | Very low | 29 | Very low | 161 Ų | 161 | 127.8 Ų | 127.8 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | cis | -131.7 | -118.9 | 22.4 | -60.9 | -95.9 | 0 | 0 | 0 | 113.8 | I562 | F309-I562 HydrophobicContact CD1-CD1 4.1Å; F309-I562 HydrophobicContact CE1-CD1 3.56Å; F309-I562 HydrophobicContact CZ-CD1 4.33Å | ||
| 310 | S | 23.6 | Very low | 29.2 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | cis | -155.7 | -152.5 | 10.4 | -165.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 311 | V | 28.3 | Very low | 28.6 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -128.5 | 137.9 | -157.2 | 165.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 312 | P | 33.1 | Very low | 28.7 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | -149.2 | 171.7 | 96.1 | 37.1 | -16.1 | 0 | 0 | 0 | 119 | |||||
| 313 | M | 27.8 | Very low | 28.6 | Very low | 156 Ų | 156 | 125.7 Ų | 125.7 | 77% | 0.768 | 77% | 0.768 | S | S | * | * | trans | -79.4 | 174.1 | -178.8 | -90.3 | -78.1 | -79.2 | 0 | 0 | 113.9 | ||||
| 314 | P | 36.1 | Very low | 28.9 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | cis | -147 | 144.7 | 29.1 | 39.7 | -17.4 | 0 | 0 | 0 | 121.9 | ||||
| 315 | G | 23.4 | Very low | 28.8 | Very low | 49 Ų | 49 | 126.6 Ų | 126.6 | 51% | 0.505 | 77% | 0.773 | S | S | . | * | 74.9 | 124.2 | 122.6 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 316 | H | 28.5 | Very low | 28.9 | Very low | 202 Ų | 202 | 126.7 Ų | 126.7 | 94% | 0.935 | 77% | 0.774 | S | S | * | * | trans | -169 | 164.9 | 132.4 | -108.7 | 77.6 | 0 | 0 | 0 | 112.9 | ||||
| 317 | S | 27 | Very low | 28.9 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -91.3 | 143 | -166.6 | -48.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 318 | R | 29.8 | Very low | 28.9 | Very low | 248 Ų | 248 | 132.8 Ų | 132.8 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | trans | -160.5 | 155.8 | 144.5 | -117.3 | 167.1 | 174.5 | 167.4 | -2.7 | 112.2 | ||||
| 319 | G | 28.8 | Very low | 28.8 | Very low | 79 Ų | 79 | 135.1 Ų | 135.1 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | -80.8 | 158.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 320 | V | 32.9 | Very low | 28.8 | Very low | 133 Ų | 133 | 134 Ų | 134 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | trans | -116.6 | 136.7 | -172.6 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 321 | P | 32.6 | Very low | 28.8 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 151.4 | 174.1 | 31.8 | -35.3 | 0 | 0 | 0 | 112.1 | S323 | P321-S323 PolarHBondContact O-N 3.41Š|
| 322 | L | 30.1 | Very low | 28.8 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 95% | 0.953 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 116.6 | 178.8 | -62.3 | 171.8 | 0 | 0 | 0 | 111.7 | ||
| 323 | S | 25.6 | Very low | 28.7 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 152.4 | 162.3 | -165.5 | 0 | 0 | 0 | 0 | 110.1 | P321 | P321-S323 PolarHBondContact O-N 3.41Š|
| 324 | L | 32.4 | Very low | 28.4 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -124 | 71.5 | -176.5 | -170 | 79.6 | 0 | 0 | 0 | 111.1 | ||||
| 325 | D | 26.5 | Very low | 28 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -137.9 | 86.8 | 170 | -89.2 | -51 | 0 | 0 | 0 | 110 | ||||
| 326 | A | 30.3 | Very low | 28 | Very low | 99 Ų | 99 | 141 Ų | 141 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -176.7 | 72.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 327 | M | 27.7 | Very low | 27.8 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 95% | 0.946 | 82% | 0.82 | S | S | * | * | trans | -174.4 | 80.9 | 148.5 | 49.5 | -178.4 | -172.2 | 0 | 0 | 112.9 | ||||
| 328 | A | 29.3 | Very low | 27.6 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -148.4 | 137.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 329 | A | 25.4 | Very low | 27.2 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | 58.9 | 123.5 | -158.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 330 | T | 25.1 | Very low | 27.1 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | cis | -137.4 | 126.1 | 47.2 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 331 | Y | 24.9 | Very low | 26.7 | Very low | 223 Ų | 223 | 139.6 Ų | 139.6 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | trans | -148.9 | 121.6 | 159.6 | -157.5 | -94.1 | 0 | 0 | 0 | 108.4 | ||||
| 332 | N | 26.5 | Very low | 26.3 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -144 | 119.4 | 179 | -171.3 | 29.8 | 0 | 0 | 0 | 109.2 | ||||
| 333 | P | 31.7 | Very low | 26 | Very low | 107 Ų | 107 | 139 Ų | 139 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | trans | -94.5 | 125.2 | -169.9 | 34.2 | -33 | 0 | 0 | 0 | 114 | ||||
| 334 | A | 22.8 | Very low | 25.9 | Very low | 97 Ų | 97 | 141.6 Ų | 141.6 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -160.1 | 147.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 335 | S | 26.3 | Very low | 25.4 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | cis | -158.5 | 178.1 | -8 | 46.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 336 | H | 24.5 | Very low | 25.2 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | trans | -45.3 | 140.9 | -174.2 | -124 | -110.1 | 0 | 0 | 0 | 116.8 | E338 | H336-E338 IonicContact CE1-OE2 2.72Å; H336-E338 PolarHBondContact CE1-OE2 2.94Å; H336-E338 IonicContact ND1-OE2 3.87Å; H336-E338 PolarHBondContact ND1-OE2 3.2Å | ||
| 337 | S | 24.3 | Very low | 24.8 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -162.4 | 117.7 | 145.1 | -77 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 338 | E | 21.9 | Very low | 24.8 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 53% | 0.533 | 76% | 0.764 | S | S | . | * | trans | -76.8 | 163.5 | 169.8 | -72.2 | 154.3 | 84.3 | 0 | 0 | 109.9 | H336 | H336-E338 IonicContact CE1-OE2 2.72Å; H336-E338 PolarHBondContact CE1-OE2 2.94Å; H336-E338 IonicContact ND1-OE2 3.87Å; H336-E338 PolarHBondContact ND1-OE2 3.2Å | ||
| 339 | W | 22 | Very low | 24.4 | Very low | 218 Ų | 218 | 138.1 Ų | 138.1 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | -172.6 | -177 | 54.1 | -75.2 | 92.4 | 0 | 0 | 0 | 109 | |||||
| 340 | P | 26.5 | Very low | 24.4 | Very low | 107 Ų | 107 | 140 Ų | 140 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | cis | -120.3 | 172.6 | -39.7 | 36 | -23.2 | 0 | 0 | 0 | 111.9 | ||||
| 341 | Q | 24.8 | Very low | 24.2 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -81.7 | 149.4 | 163.8 | -66.9 | 175.1 | -87.2 | 0 | 0 | 111.8 | ||||
| 342 | V | 23.8 | Very low | 24.2 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | trans | -118.4 | 144.6 | 150.3 | 176.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 343 | N | 23.7 | Very low | 24 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -131.1 | 177.5 | -166.8 | -166.7 | 12.2 | 0 | 0 | 0 | 110.7 | ||||
| 344 | Q | 23.9 | Very low | 23.6 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | 80.2 | 137.5 | -177.9 | -48 | -176.7 | 45.7 | 0 | 0 | 113.3 | ||||
| 345 | S | 22 | Very low | 23.6 | Very low | 91 Ų | 91 | 143.9 Ų | 143.9 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | cis | 76 | 146.3 | 25.6 | 97.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 346 | H | 21.9 | Very low | 23.7 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 62% | 0.62 | 75% | 0.751 | S | S | * | * | cis | -159.9 | 152.4 | -1.9 | -133 | -48.7 | 0 | 0 | 0 | 110.3 | ||||
| 347 | Y | 21.4 | Very low | 23.7 | Very low | 194 Ų | 194 | 144 Ų | 144 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | trans | 68.8 | 168.3 | 160.9 | -60.3 | -57.3 | 0 | 0 | 0 | 119.1 | ||||
| 348 | P | 27.8 | Very low | 23.6 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | cis | -125.3 | 178.1 | -4.1 | 34.2 | -15.4 | 0 | 0 | 0 | 116.1 | ||||
| 349 | S | 22.1 | Very low | 23.8 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | 127.1 | 123.6 | 133 | -66.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 350 | T | 23.7 | Very low | 23.7 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | trans | 64.5 | 129.7 | 144.6 | 52 | 0 | 0 | 0 | 0 | 122 | ||||
| 351 | C | 21.6 | Very low | 23.7 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -104.6 | 135.3 | 168.9 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 352 | I | 25.6 | Very low | 23.6 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | -136.4 | 153.9 | 168 | -64.9 | -174.5 | 0 | 0 | 0 | 109 | ||||
| 353 | K | 22.1 | Very low | 23.7 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -87.6 | 164.7 | -169.4 | -92.6 | -176.1 | 175.4 | -178.4 | 0 | 115.5 | ||||
| 354 | Q | 23.3 | Very low | 23.8 | Very low | 162 Ų | 162 | 142 Ų | 142 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | 73.4 | 102 | 147.1 | -80 | 167.9 | -80.4 | 0 | 0 | 120.9 | ||||
| 355 | E | 22.6 | Very low | 23.9 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | 61.3 | 174.1 | 115.1 | -119.1 | -160.2 | 136.5 | 0 | 0 | 119.9 | |||||
| 356 | P | 29.5 | Very low | 24.1 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | -110.7 | 151.9 | -111.5 | 38.1 | -25.5 | 0 | 0 | 0 | 114.1 | |||||
| 357 | L | 22.6 | Very low | 24.2 | Very low | 171 Ų | 171 | 144 Ų | 144 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -125.2 | 124.6 | 165.7 | -78.3 | 173 | 0 | 0 | 0 | 111.1 | ||||
| 358 | S | 23.2 | Very low | 24.5 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -78.3 | 141.4 | 173.6 | 45.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 359 | I | 25 | Very low | 24.4 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 80% | 0.795 | 79% | 0.793 | S | S | * | * | trans | -121 | 119.2 | 168.3 | -62.3 | -179.3 | 0 | 0 | 0 | 107.7 | ||||
| 360 | S | 21.2 | Very low | 24.6 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -75.4 | 134.1 | 174 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 361 | I | 26.2 | Very low | 24.6 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -105.2 | 119.2 | 166.6 | -62.7 | -178.5 | 0 | 0 | 0 | 107.7 | ||||
| 362 | H | 22.8 | Very low | 24.8 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -86.4 | 107.5 | -170.6 | -172.9 | -74.2 | 0 | 0 | 0 | 110.6 | S364 | H362-S364 PolarHBondContact O-N 3.41Š| ||
| 363 | E | 25.8 | Very low | 24.8 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -69.7 | 114.1 | 171.8 | -80.2 | -154.3 | 140.7 | 0 | 0 | 111 | M365 | E363-M365 PolarHBondContact O-N 3.09Š| ||
| 364 | S | 24.7 | Very low | 25 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | -87.4 | 96.6 | 164.7 | -67.1 | 0 | 0 | 0 | 0 | 109.3 | H362 L366 | H362-S364 PolarHBondContact O-N 3.41Å; S364-L366 PolarHBondContact O-N 3.32Å | ||
| 365 | M | 26.1 | Very low | 25.3 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -60.2 | 131.5 | 173.8 | -77.3 | -158.4 | 75.5 | 0 | 0 | 111.9 | E363 | E363-M365 PolarHBondContact O-N 3.09Š| ||
| 366 | L | 27.1 | Very low | 25.7 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -95.1 | 106.5 | 157 | -77.1 | 171.6 | 0 | 0 | 0 | 108.7 | S364 | S364-L366 PolarHBondContact O-N 3.32Š| ||
| 367 | S | 23.7 | Very low | 25.6 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 118.1 | 175.8 | 49.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 368 | L | 28.3 | Very low | 25.8 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 94% | 0.937 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 119.6 | 159.2 | -92 | 162.2 | 0 | 0 | 0 | 108.4 | ||
| 369 | Q | 24.5 | Very low | 26.7 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 134.7 | -177.3 | -64.4 | 176.5 | -49.5 | 0 | 0 | 111.6 | ||
| 370 | T | 27.4 | Very low | 28 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | -139.3 | 87.5 | 152.9 | 53.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 371 | S | 23.1 | Very low | 29 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | trans | -62.9 | 154.6 | 153.9 | -42.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 372 | T | 26.5 | Very low | 28.8 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | cis | -161.7 | 171.1 | -6.6 | 8.7 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 373 | S | 25.4 | Very low | 28.9 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | cis | -135.4 | -176.2 | 24.3 | -62.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 374 | S | 26.4 | Very low | 28.9 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | cis | 75.1 | 137.4 | 24 | -25.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 375 | L | 30.2 | Very low | 28.8 | Very low | 147 Ų | 147 | 137 Ų | 137 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | cis | -151 | 146.2 | 33.3 | -77.9 | 165.7 | 0 | 0 | 0 | 115 | ||||
| 376 | L | 29 | Very low | 28.8 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 58% | 0.576 | 74% | 0.738 | S | S | * | * | trans | 62.3 | 167 | 138.5 | -59.5 | 171.4 | 0 | 0 | 0 | 119.9 | ||||
| 377 | Q | 29.2 | Very low | 28.7 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | cis | -147.6 | 124.7 | 6.4 | -135.8 | 132.8 | -14.6 | 0 | 0 | 109.2 | ||||
| 378 | H | 25.2 | Very low | 28.9 | Very low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.745 | 74% | 0.737 | S | S | * | * | 78.9 | 154.9 | 93.5 | -82.6 | -102.3 | 0 | 0 | 0 | 118.9 | |||||
| 379 | P | 43.5 | Very low | 28.7 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | -135.3 | -132.8 | -151.7 | 43.8 | -21.5 | 0 | 0 | 0 | 112.7 | ||||
| 380 | P | 52.1 | Low | 28.9 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | cis | -130.4 | -21.6 | -29.3 | 33.8 | -21.4 | 0 | 0 | 0 | 126.3 | ||||
| 381 | P | 42.2 | Very low | 28.7 | Very low | 72 Ų | 72 | 133.2 Ų | 133.2 | 47% | 0.468 | 72% | 0.722 | S | S | . | * | -125.3 | 179.3 | -127.5 | 33.7 | -15.2 | 0 | 0 | 0 | 121.3 | |||||
| 382 | Y | 22.2 | Very low | 28.9 | Very low | 217 Ų | 217 | 136.4 Ų | 136.4 | 85% | 0.851 | 73% | 0.73 | S | S | * | * | trans | 72.3 | 164.1 | 169 | -14.5 | -77.7 | 0 | 0 | 0 | 119.3 | ||||
| 383 | K | 24.6 | Very low | 28.9 | Very low | 189 Ų | 189 | 135.5 Ų | 135.5 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | -176.4 | 174.1 | -62.2 | -116.2 | -171.3 | 176.8 | -174.9 | 0 | 108.7 | |||||
| 384 | T | 25.5 | Very low | 28.9 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 82% | 0.816 | 73% | 0.728 | S | S | * | * | trans | 75.9 | 154.1 | 170.8 | 72.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 385 | E | 22.9 | Very low | 28.9 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 63% | 0.631 | 72% | 0.724 | S | S | * | * | cis | -159.6 | 168.2 | 0.4 | -135.8 | -170.7 | 158.1 | 0 | 0 | 114.2 | ||||
| 386 | K | 26.8 | Very low | 28.7 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 67% | 0.665 | 71% | 0.714 | S | S | * | * | trans | 63.8 | 128.2 | 156.3 | -75.9 | 154.6 | -179.7 | 145.4 | 0 | 119.7 | ||||
| 387 | T | 23.8 | Very low | 28.6 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | 76.3 | 122.3 | 66.2 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 388 | V | 28.1 | Very low | 28.4 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | -151.1 | 156 | 74.6 | 168.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 389 | D | 25.4 | Very low | 28.4 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 65% | 0.652 | 73% | 0.729 | S | S | * | * | trans | -66.6 | 163.3 | 177.3 | -52 | -108 | 0 | 0 | 0 | 116.8 | ||||
| 390 | L | 27.4 | Very low | 27.6 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 91% | 0.911 | 74% | 0.737 | S | S | * | * | -172.9 | 151.8 | 109.3 | -99.1 | 167 | 0 | 0 | 0 | 113.5 | |||||
| 391 | N | 24.4 | Very low | 26.4 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | trans | -108 | 141.4 | -177.7 | -74.1 | -86.4 | 0 | 0 | 0 | 112.3 | ||||
| 392 | L | 25.7 | Very low | 25.7 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | trans | -173.4 | 142 | 139.8 | -130.5 | 53.1 | 0 | 0 | 0 | 109 | ||||
| 393 | V | 26.9 | Very low | 26 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 62% | 0.624 | 75% | 0.753 | S | S | * | * | cis | 154.9 | 125.4 | -21.6 | 140.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 394 | K | 26.7 | Very low | 26.2 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 78% | 0.778 | 75% | 0.75 | S | S | * | * | trans | 65.9 | 164.4 | 158.9 | -73.4 | 179 | 169.9 | -110.9 | 0 | 120.3 | ||||
| 395 | Q | 26.2 | Very low | 26.1 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 58% | 0.584 | 75% | 0.745 | S | S | * | * | cis | -171.6 | 140.3 | -29.7 | -177.7 | 169.7 | -4.1 | 0 | 0 | 112.1 | ||||
| 396 | E | 25.6 | Very low | 26.3 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 57% | 0.57 | 75% | 0.75 | S | S | * | * | trans | 47.4 | 131.5 | 154 | -70 | -177.6 | 101.7 | 0 | 0 | 127.1 | ||||
| 397 | K | 26.3 | Very low | 26.8 | Very low | 183 Ų | 183 | 134 Ų | 134 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | 63.6 | 129 | 127.4 | -67.8 | 176.3 | 178 | 155.2 | 0 | 124.7 | |||||
| 398 | G | 24.3 | Very low | 27.2 | Very low | 67 Ų | 67 | 136.6 Ų | 136.6 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | trans | 97.9 | 155 | 136.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 399 | T | 25.5 | Very low | 27.7 | Very low | 142 Ų | 142 | 136 Ų | 136 | 87% | 0.871 | 76% | 0.759 | S | S | * | * | cis | -165.5 | 138.6 | -13.1 | 2.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 400 | A | 28 | Very low | 27.7 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 88% | 0.884 | 77% | 0.765 | S | S | * | * | trans | 59.2 | 130.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 401 | G | 26.2 | Very low | 27.9 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | 119 | 154.9 | 144.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 402 | K | 28 | Very low | 28.8 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | cis | -169 | 170.1 | -23 | -161.3 | 175.5 | -178.5 | -177.8 | 0 | 109.9 | ||||
| 403 | H | 28.5 | Very low | 29.4 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | 81.5 | 122.7 | 173.4 | -54.5 | -86.5 | 0 | 0 | 0 | 115.5 | ||||
| 404 | H | 28 | Very low | 29.7 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | 94.1 | 121.5 | 53.3 | -167.2 | 79.2 | 0 | 0 | 0 | 110.7 | |||||
| 405 | S | 24.5 | Very low | 29.6 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | -157.2 | 176.1 | 61.4 | 54.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 406 | T | 25.5 | Very low | 30 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -107.5 | 176.3 | 171.6 | 22.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 407 | P | 37.3 | Very low | 30.2 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | cis | -143.9 | -176.9 | 27.2 | 44.1 | -23.7 | 0 | 0 | 0 | 118.8 | ||||
| 408 | Q | 31.6 | Very low | 30.4 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | trans | -90.5 | 173.9 | 162.6 | -75.5 | -133.2 | -48.5 | 0 | 0 | 112.3 | ||||
| 409 | P | 40.5 | Very low | 30.7 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | -148.9 | 157.3 | 111.6 | 38.4 | -23 | 0 | 0 | 0 | 118.4 | |||||
| 410 | A | 24.5 | Very low | 31.2 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | 76.9 | 134.9 | 145.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 411 | Y | 31 | Very low | 31.5 | Very low | 228 Ų | 228 | 138.4 Ų | 138.4 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -97.2 | -177.2 | 155.1 | -71 | -89 | 0 | 0 | 0 | 109.2 | ||||
| 412 | P | 43 | Very low | 32.1 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | cis | -126.9 | -146.7 | -3.9 | 46.1 | -28.6 | 0 | 0 | 0 | 110.3 | ||||
| 413 | P | 39.8 | Very low | 33 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | cis | -128.4 | 178.5 | -21 | 40 | -23 | 0 | 0 | 0 | 115.2 | ||||
| 414 | S | 32 | Very low | 33.6 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | 36.7 | 113.9 | 151.5 | 62 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 415 | G | 26 | Very low | 34.6 | Very low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -174 | 133 | 159 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 416 | Q | 34.6 | Very low | 35.9 | Very low | 198 Ų | 198 | 131.9 Ų | 131.9 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 127.6 | 172 | -74.1 | -176.8 | -33.7 | 0 | 0 | 110.9 | ||
| 417 | P | 29 | Very low | 37 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 144.5 | 157.9 | 33.4 | -30.7 | 0 | 0 | 0 | 110.6 | ||
| 418 | P | 31.1 | Very low | 38 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 134.7 | -176.9 | 29.7 | -34.7 | 0 | 0 | 0 | 112.5 | L420 | P418-L420 PolarHBondContact O-N 3.43Š|
| 419 | V | 31.1 | Very low | 39.2 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 86% | 0.855 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -71 | 117 | 171.1 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | K421 | V419-K421 PolarHBondContact O-N 3.29Å; V419-K421 VanDerWaalsContact O-N 3.13Å |
| 420 | L | 34.3 | Very low | 39.6 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | trans | -63.6 | 110.9 | 177.8 | -73.5 | 166.5 | 0 | 0 | 0 | 111 | P418 L422 | P418-L420 PolarHBondContact O-N 3.43Å; L420-L422 PolarHBondContact O-N 3.22Å | ||
| 421 | K | 34.7 | Very low | 40.9 | Very low | 212 Ų | 212 | 132.4 Ų | 132.4 | 92% | 0.922 | 69% | 0.694 | S | S | * | * | trans | -62.9 | 100.7 | 167.3 | -85 | -173.6 | 172.6 | -178.5 | 0 | 109.8 | V419 S423 | V419-K421 PolarHBondContact O-N 3.29Å; V419-K421 VanDerWaalsContact O-N 3.13Å; K421-S423 PolarHBondContact O-N 3.08Å | ||
| 422 | L | 39.1 | Very low | 42 | Very low | 150 Ų | 150 | 124.9 Ų | 124.9 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | trans | -69.1 | 116.5 | 163.2 | -74.2 | 168.4 | 0 | 0 | 0 | 108.7 | L420 | L420-L422 PolarHBondContact O-N 3.22Š| ||
| 423 | S | 47.1 | Very low | 42.4 | Very low | 66 Ų | 66 | 122.1 Ų | 122.1 | 46% | 0.462 | 66% | 0.662 | S | S | . | * | trans | -71.5 | 148.2 | 177 | 59.4 | 0 | 0 | 0 | 0 | 111.4 | K421 D425 K426 | K421-S423 PolarHBondContact O-N 3.08Å; S423-D425 PolarHBondContact O-N 2.82Å; S423-D425 VanDerWaalsContact O-N 3.09Å; S423-K426 PolarHBondContact O-N 2.79Å | ||
| 424 | L | 41.3 | Very low | 42.8 | Very low | 110 Ų | 110 | 121.4 Ų | 121.4 | 58% | 0.576 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63 | -19 | -176.2 | -160.4 | 142.2 | 0 | 0 | 0 | 112.5 | Y427 R428 | L424-Y427 WeakPolarHBondContact O-CB 3.5Å; L424-Y427 PolarHBondContact O-N 3.11Å; L424-R428 HydrophobicContact CD2-CG 4.39Å; L424-R428 PolarHBondContact O-N 3.17Å |
| 425 | D | 49 | Very low | 43.2 | Very low | 88 Ų | 88 | 124.9 Ų | 124.9 | 47% | 0.471 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -73.8 | -33.3 | 178.3 | -56.6 | -68.2 | 0 | 0 | 0 | 113.6 | S423 Y427 R428 E429 | S423-D425 PolarHBondContact O-N 2.82Å; S423-D425 VanDerWaalsContact O-N 3.09Å; D425-Y427 PolarHBondContact O-N 2.75Å; D425-R428 WeakPolarHBondContact O-CB 3.38Å; D425-R428 PolarHBondContact O-N 3.03Å; D425-R428 VanDerWaalsContact O-N 3.1Å; D425-R428 IonicContact OD1-CZ 3.33Å; D425-R428 IonicContact OD1-NE 2.76Å; D425-R428 IonicContact OD1-NH1 2.68Å; D425-R428 PolarHBondContact OD1-NH1 2.94Å; D425-E429 PolarHBondContact O-N 3.26Å |
| 426 | K | 52.6 | Low | 44.3 | Very low | 140 Ų | 140 | 125.8 Ų | 125.8 | 61% | 0.609 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.2 | -24.9 | 170.6 | -81.9 | -167.4 | 171.2 | -174.2 | 0 | 112.8 | S423 K430 | S423-K426 PolarHBondContact O-N 2.79Å; K426-K430 PolarHBondContact O-N 2.95Å |
| 427 | Y | 48.4 | Very low | 45.1 | Very low | 142 Ų | 142 | 120.6 Ų | 120.6 | 56% | 0.557 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.5 | -38.7 | 172.4 | -172.2 | -96.4 | 0 | 0 | 0 | 111.8 | L424 D425 H431 | L424-Y427 WeakPolarHBondContact O-CB 3.5Å; L424-Y427 PolarHBondContact O-N 3.11Å; D425-Y427 PolarHBondContact O-N 2.75Å; Y427-H431 AromaticContact CD1-CD2 3.98Å; Y427-H431 AromaticContact CE1-CD2 3.61Å; Y427-H431 AromaticContact CE1-NE2 3.76Å; Y427-H431 AromaticContact CE2-NE2 3.52Å; Y427-H431 AromaticContact CZ-CD2 3.66Å; Y427-H431 AromaticContact CZ-NE2 3.27Å; Y427-H431 VanDerWaalsContact CZ-NE2 3.27Å; Y427-H431 PolarHBondContact O-CD2 3.34Å; Y427-H431 PolarHBondContact O-N 3.48Å; Y427-H431 PolarHBondContact OH-NE2 3.47Å |
| 428 | R | 57.8 | Low | 45.8 | Very low | 157 Ų | 157 | 121.1 Ų | 121.1 | 59% | 0.592 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.8 | -44.3 | 174.6 | -67.1 | 170.3 | 172 | 159.8 | -5.3 | 111.9 | L424 D425 H431 S432 | L424-R428 HydrophobicContact CD2-CG 4.39Å; L424-R428 PolarHBondContact O-N 3.17Å; D425-R428 WeakPolarHBondContact O-CB 3.38Å; D425-R428 PolarHBondContact O-N 3.03Å; D425-R428 VanDerWaalsContact O-N 3.1Å; D425-R428 IonicContact OD1-CZ 3.33Å; D425-R428 IonicContact OD1-NE 2.76Å; D425-R428 IonicContact OD1-NH1 2.68Å; D425-R428 PolarHBondContact OD1-NH1 2.94Å; R428-H431 PolarHBondContact O-N 3.15Å; R428-S432 PolarHBondContact O-N 3.25Å |
| 429 | E | 57.7 | Low | 46.4 | Very low | 134 Ų | 134 | 122.5 Ų | 122.5 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.1 | -39.3 | -178.6 | -173.6 | 170.6 | -140.7 | 0 | 0 | 112.8 | D425 H431 S432 | D425-E429 PolarHBondContact O-N 3.26Å; E429-H431 PolarHBondContact O-N 2.99Å; E429-S432 PolarHBondContact O-N 3.19Å; E429-S432 PolarHBondContact O-OG 2.95Å |
| 430 | K | 48.8 | Very low | 47 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 58% | 0.583 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.9 | -41.9 | 177.2 | -169.3 | -179.9 | 175.8 | -170.2 | 0 | 112.4 | K426 E434 | K426-K430 PolarHBondContact O-N 2.95Å; K430-E434 WeakPolarHBondContact CE-OE1 3.44Å; K430-E434 PolarHBondContact O-N 3.39Å |
| 431 | H | 51.1 | Low | 47.6 | Very low | 77 Ų | 77 | 128.9 Ų | 128.9 | 36% | 0.356 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -79.5 | -21.1 | -177.2 | -73.2 | -53.9 | 0 | 0 | 0 | 114.6 | Y427 R428 E429 E434 Y435 | Y427-H431 AromaticContact CD1-CD2 3.98Å; Y427-H431 AromaticContact CE1-CD2 3.61Å; Y427-H431 AromaticContact CE1-NE2 3.76Å; Y427-H431 AromaticContact CE2-NE2 3.52Å; Y427-H431 AromaticContact CZ-CD2 3.66Å; Y427-H431 AromaticContact CZ-NE2 3.27Å; Y427-H431 VanDerWaalsContact CZ-NE2 3.27Å; Y427-H431 PolarHBondContact O-CD2 3.34Å; Y427-H431 PolarHBondContact O-N 3.48Å; Y427-H431 PolarHBondContact OH-NE2 3.47Å; R428-H431 PolarHBondContact O-N 3.15Å; E429-H431 PolarHBondContact O-N 2.99Å; H431-E434 IonicContact CE1-OE2 3.5Å; H431-E434 PolarHBondContact CE1-OE2 3.31Å; H431-E434 IonicContact CG-OE2 2.71Å; H431-E434 IonicContact ND1-OE2 2.67Å; H431-E434 PolarHBondContact ND1-OE2 2.67Å; H431-Y435 PolarHBondContact O-N 2.72Å |
| 432 | S | 54.3 | Low | 47.8 | Very low | 71 Ų | 71 | 126.1 Ų | 126.1 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70 | -35.8 | 171.7 | 64.7 | 0 | 0 | 0 | 0 | 111.8 | R428 E429 T436 | R428-S432 PolarHBondContact O-N 3.25Å; E429-S432 PolarHBondContact O-N 3.19Å; E429-S432 PolarHBondContact O-OG 2.95Å; S432-T436 PolarHBondContact O-N 2.9Å; S432-T436 PolarHBondContact O-OG1 3.09Å |
| 433 | A | 50.9 | Low | 47.7 | Very low | 55 Ų | 55 | 125.7 Ų | 125.7 | 46% | 0.455 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.3 | -49.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y435 T436 V437 | A433-Y435 PolarHBondContact O-N 3.44Å; A433-T436 WeakPolarHBondContact O-CB 3.36Å; A433-T436 PolarHBondContact O-N 3.2Å; A433-T436 VanDerWaalsContact O-N 3.13Å; A433-V437 PolarHBondContact O-N 3.22Å |
| 434 | E | 48.6 | Very low | 47.2 | Very low | 88 Ų | 88 | 127.8 Ų | 127.8 | 41% | 0.411 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58.4 | -44.3 | 179.3 | -71 | 170.2 | 179.6 | 0 | 0 | 112.3 | K430 H431 T436 V437 Q438 | K430-E434 WeakPolarHBondContact CE-OE1 3.44Å; K430-E434 PolarHBondContact O-N 3.39Å; H431-E434 IonicContact CE1-OE2 3.5Å; H431-E434 PolarHBondContact CE1-OE2 3.31Å; H431-E434 IonicContact CG-OE2 2.71Å; H431-E434 IonicContact ND1-OE2 2.67Å; H431-E434 PolarHBondContact ND1-OE2 2.67Å; E434-T436 VanDerWaalsContact C-N 3.26Å; E434-T436 PolarHBondContact O-N 3.1Å; E434-V437 PolarHBondContact O-N 2.96Å; E434-Q438 WeakPolarHBondContact O-CB 3.05Å; E434-Q438 PolarHBondContact O-N 3.19Å |
| 435 | Y | 40.6 | Very low | 46.8 | Very low | 192 Ų | 192 | 132 Ų | 132 | 75% | 0.753 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.1 | -33.2 | 177.9 | -145.9 | -85.8 | 0 | 0 | 0 | 112.7 | H431 A433 K439 | H431-Y435 PolarHBondContact O-N 2.72Å; A433-Y435 PolarHBondContact O-N 3.44Å; Y435-K439 PolarHBondContact O-N 2.96Å; Y435-K439 VanDerWaalsContact O-N 3.16Å |
| 436 | T | 48.1 | Very low | 45.8 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 58% | 0.583 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.2 | -36.2 | 178.1 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | S432 A433 E434 | S432-T436 PolarHBondContact O-N 2.9Å; S432-T436 PolarHBondContact O-OG1 3.09Å; A433-T436 WeakPolarHBondContact O-CB 3.36Å; A433-T436 PolarHBondContact O-N 3.2Å; A433-T436 VanDerWaalsContact O-N 3.13Å; E434-T436 VanDerWaalsContact C-N 3.26Å; E434-T436 PolarHBondContact O-N 3.1Å |
| 437 | V | 52 | Low | 44.7 | Very low | 89 Ų | 89 | 128.6 Ų | 128.6 | 54% | 0.539 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.4 | -42 | 173 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | A433 E434 K439 R440 | A433-V437 PolarHBondContact O-N 3.22Å; E434-V437 PolarHBondContact O-N 2.96Å; V437-K439 PolarHBondContact O-N 3.35Å; V437-R440 PolarHBondContact O-N 2.98Å |
| 438 | Q | 44.1 | Very low | 43.9 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 58% | 0.584 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -62.4 | -40.4 | 179.9 | -159.6 | 73.2 | -5.2 | 0 | 0 | 112.1 | E434 R440 R441 | E434-Q438 WeakPolarHBondContact O-CB 3.05Å; E434-Q438 PolarHBondContact O-N 3.19Å; Q438-R440 VanDerWaalsContact C-N 3.31Å; Q438-R440 PolarHBondContact O-N 2.67Å; Q438-R441 PolarHBondContact O-N 3.45Å |
| 439 | K | 42.8 | Very low | 42.8 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 65% | 0.648 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -63.5 | -35.3 | 177.2 | -165.8 | 179.5 | -180 | -171.6 | 0 | 112.4 | Y435 V437 R441 | Y435-K439 PolarHBondContact O-N 2.96Å; Y435-K439 VanDerWaalsContact O-N 3.16Å; V437-K439 PolarHBondContact O-N 3.35Å; K439-R441 PolarHBondContact O-N 3.31Å |
| 440 | R | 43.9 | Very low | 41.4 | Very low | 219 Ų | 219 | 129.7 Ų | 129.7 | 83% | 0.826 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 7 | 177.7 | -148.1 | -160.1 | -63.9 | -172.6 | -1 | 114.2 | V437 Q438 | V437-R440 PolarHBondContact O-N 2.98Å; Q438-R440 VanDerWaalsContact C-N 3.31Å; Q438-R440 PolarHBondContact O-N 2.67Å |
| 441 | R | 46.2 | Very low | 40.5 | Very low | 214 Ų | 214 | 128.4 Ų | 128.4 | 81% | 0.808 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 1.3 | -179.9 | -75.1 | -73.1 | -169.1 | 171.3 | 0.7 | 114.5 | Q438 K439 | Q438-R441 PolarHBondContact O-N 3.45Å; K439-R441 PolarHBondContact O-N 3.31Å |
| 442 | Q | 40.6 | Very low | 39.5 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -118.6 | -6.3 | -172.3 | -72.2 | -167.5 | -25.5 | 0 | 0 | 116.9 | P444 | Q442-P444 VanDerWaalsContact O-CD 3.3Å; Q442-P444 WeakPolarHBondContact O-CD 3.47Å |
| 443 | D | 35.2 | Very low | 38.3 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | -109.9 | 104.9 | -179.2 | -71 | -54 | 0 | 0 | 0 | 113 | ||||
| 444 | P | 38 | Very low | 37.3 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | trans | -103.7 | 112.1 | 164 | 34.3 | -26.6 | 0 | 0 | 0 | 112 | Q442 | Q442-P444 VanDerWaalsContact O-CD 3.3Å; Q442-P444 WeakPolarHBondContact O-CD 3.47Å | ||
| 445 | H | 31.8 | Very low | 36.3 | Very low | 200 Ų | 200 | 140.1 Ų | 140.1 | 93% | 0.926 | 74% | 0.744 | S | S | * | * | trans | 60 | 111.6 | 166.5 | -63.5 | -62.9 | 0 | 0 | 0 | 120.3 | ||||
| 446 | G | 28.4 | Very low | 35.7 | Very low | 82 Ų | 82 | 138.2 Ų | 138.2 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | -169.9 | 127.9 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 447 | G | 29.2 | Very low | 34.9 | Very low | 74 Ų | 74 | 140.9 Ų | 140.9 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | trans | -170.5 | 171.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 448 | L | 32.7 | Very low | 33.9 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | 67.8 | 144.9 | -173.6 | -130.5 | 65.3 | 0 | 0 | 0 | 112.9 | ||||
| 449 | M | 34.8 | Very low | 33.4 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | cis | -114.2 | -179.1 | 2.3 | -17.7 | -66.9 | 139.2 | 0 | 0 | 109.3 | ||||
| 450 | D | 27.8 | Very low | 32.9 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | cis | -153.7 | -179 | 28.7 | -141.1 | -49.4 | 0 | 0 | 0 | 112.6 | ||||
| 451 | C | 29.7 | Very low | 32.1 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 72% | 0.716 | 78% | 0.778 | S | S | * | * | trans | -89.3 | -173.1 | -169.8 | -55.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 452 | D | 29.1 | Very low | 31.4 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | cis | -163.5 | -171.5 | 16.4 | -147.5 | -41 | 0 | 0 | 0 | 112.1 | ||||
| 453 | V | 29.6 | Very low | 30.9 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | trans | 106.7 | 93.1 | 157.7 | -170.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 454 | K | 31.1 | Very low | 30.7 | Very low | 199 Ų | 199 | 130.4 Ų | 130.4 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | trans | 86.5 | 128.9 | 134.3 | -162.4 | 176.4 | -170.9 | 178.1 | 0 | 120.1 | ||||
| 455 | G | 27.4 | Very low | 31.5 | Very low | 67 Ų | 67 | 131 Ų | 131 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | 166.8 | 10.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 456 | D | 27.8 | Very low | 32.7 | Very low | 152 Ų | 152 | 125.8 Ų | 125.8 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 62.2 | 137.9 | 157.4 | -67.9 | -27.1 | 0 | 0 | 0 | 124.3 | ||||
| 457 | L | 31.7 | Very low | 32.7 | Very low | 152 Ų | 152 | 128.7 Ų | 128.7 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | 89.2 | 111.2 | 149 | -68.2 | 160.1 | 0 | 0 | 0 | 124.1 | ||||
| 458 | T | 29.3 | Very low | 32.9 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | trans | 85.2 | 100.8 | 138.1 | 52 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 459 | S | 33.9 | Very low | 32.8 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | 86.3 | 100.8 | 117.7 | -55.9 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 460 | S | 31.8 | Very low | 32.6 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | 139.2 | 138.5 | 102.6 | -160.1 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 461 | S | 28.5 | Very low | 32.8 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | 51.1 | 109.1 | 161.2 | -152 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 462 | T | 30.9 | Very low | 32.7 | Very low | 112 Ų | 112 | 131 Ų | 131 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | cis | 83.4 | 103.6 | 49 | -55 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 463 | Y | 29.7 | Very low | 32.8 | Very low | 227 Ų | 227 | 131 Ų | 131 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | -178 | 162.1 | 120 | -106.1 | -75.3 | 0 | 0 | 0 | 111.4 | |||||
| 464 | A | 31.1 | Very low | 32.9 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 69% | 0.686 | 74% | 0.739 | S | S | * | * | trans | -158.8 | -164.8 | -166.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 465 | P | 55.4 | Low | 33.1 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | cis | -130.6 | -21.8 | -18.7 | 14.8 | 8.1 | 0 | 0 | 0 | 124 | ||||
| 466 | P | 56.2 | Low | 33.3 | Very low | 91 Ų | 91 | 137.6 Ų | 137.6 | 59% | 0.591 | 74% | 0.736 | S | S | * | * | -127 | 145.9 | -114.3 | 42.1 | -29.7 | 0 | 0 | 0 | 120.8 | |||||
| 467 | N | 29.9 | Very low | 33.4 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | 75.1 | 145.9 | 127.7 | -69.6 | -0.5 | 0 | 0 | 0 | 122.4 | |||||
| 468 | I | 31.9 | Very low | 33.3 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 64% | 0.641 | 74% | 0.743 | S | S | * | * | cis | -166.5 | 150.6 | -3.1 | -124.6 | 170.5 | 0 | 0 | 0 | 114.9 | ||||
| 469 | T | 30.2 | Very low | 34.2 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | trans | 58.2 | 164.4 | 155.4 | 56.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 470 | H | 32.1 | Very low | 34 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | cis | -178.6 | 161.8 | -40.3 | -131.9 | -120.3 | 0 | 0 | 0 | 109.9 | ||||
| 471 | I | 31 | Very low | 34.1 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | trans | 67.2 | 147 | 152.4 | -75.9 | 160.8 | 0 | 0 | 0 | 118.1 | ||||
| 472 | E | 29 | Very low | 34.2 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 70% | 0.696 | 73% | 0.732 | S | S | * | * | cis | -162.8 | 173 | -14.4 | -115.4 | -173.7 | 155.9 | 0 | 0 | 114.1 | ||||
| 473 | H | 31 | Very low | 34.1 | Very low | 148 Ų | 148 | 139 Ų | 139 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | trans | 10.9 | 159.7 | 144.1 | -67.5 | -18.9 | 0 | 0 | 0 | 124.7 | ||||
| 474 | R | 31.8 | Very low | 34.2 | Very low | 198 Ų | 198 | 136.6 Ų | 136.6 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | cis | 176.7 | 135.8 | -8.8 | 165.5 | 177.2 | 167.8 | 144.4 | -7.3 | 114.8 | ||||
| 475 | K | 33.7 | Very low | 34.1 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 67% | 0.674 | 73% | 0.734 | S | S | * | * | trans | 72.3 | 125.5 | 152.8 | -84.9 | -166.4 | 176.5 | -159.3 | 0 | 126.3 | ||||
| 476 | H | 33.2 | Very low | 32.8 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | 79.9 | 143.7 | 125.6 | -87.4 | 23.9 | 0 | 0 | 0 | 127 | |||||
| 477 | A | 29.7 | Very low | 31.5 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 88% | 0.884 | 75% | 0.745 | S | S | * | * | trans | 111.1 | 159.3 | 141.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 478 | Q | 28.7 | Very low | 31.4 | Very low | 188 Ų | 188 | 136.7 Ų | 136.7 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | trans | -113.8 | -164.7 | -169.2 | -126.1 | -166.9 | -12.9 | 0 | 0 | 110.6 | ||||
| 479 | P | 47.6 | Very low | 31.2 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 57% | 0.565 | 75% | 0.748 | S | S | * | * | cis | -144.1 | -168.9 | 9.3 | 44 | -22.9 | 0 | 0 | 0 | 118.4 | ||||
| 480 | H | 31.3 | Very low | 31.1 | Very low | 158 Ų | 158 | 136 Ų | 136 | 73% | 0.731 | 75% | 0.75 | S | S | * | * | trans | 73.8 | 165.3 | 150.5 | -69.9 | -11.4 | 0 | 0 | 0 | 121.5 | ||||
| 481 | Q | 32.5 | Very low | 31 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | cis | -168.1 | 172.2 | -30 | -104.7 | -168.7 | 82.1 | 0 | 0 | 112.6 | ||||
| 482 | A | 30.4 | Very low | 32.2 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | 70.5 | 159.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 483 | S | 30.5 | Very low | 32.1 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | cis | -168 | 164.8 | -25 | 63.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 484 | Q | 30.6 | Very low | 32 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 72.1 | 120.8 | 152.3 | -72.4 | -171.5 | 50.2 | 0 | 0 | 127.2 | ||||
| 485 | S | 28.6 | Very low | 31.9 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | 86.8 | 127.7 | 122.9 | 81.3 | 0 | 0 | 0 | 0 | 126.6 | |||||
| 486 | G | 28.9 | Very low | 31.5 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 82.1 | 154.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 487 | N | 29 | Very low | 31.6 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | cis | -164.3 | 172.9 | -29.4 | -150.9 | 3.5 | 0 | 0 | 0 | 113 | ||||
| 488 | T | 28.6 | Very low | 32 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 63% | 0.632 | 79% | 0.786 | S | S | * | * | trans | 74.4 | 126.8 | 155.6 | 49.4 | 0 | 0 | 0 | 0 | 125 | ||||
| 489 | T | 27.8 | Very low | 31.9 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | 68 | 146.6 | 141.2 | 51.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 490 | A | 28 | Very low | 31.1 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | cis | -153 | 177.3 | -2.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 491 | S | 28.6 | Very low | 30.9 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -128.3 | -168.5 | 172.7 | -47.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 492 | P | 57.7 | Low | 30.9 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | cis | -136.4 | -167.8 | -7.4 | 44 | -26.6 | 0 | 0 | 0 | 114 | ||||
| 493 | L | 27.1 | Very low | 30.8 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -166.2 | 175.9 | 133.8 | -107.2 | 166.9 | 0 | 0 | 0 | 112.8 | ||||
| 494 | K | 26.8 | Very low | 30.7 | Very low | 189 Ų | 189 | 131.5 Ų | 131.5 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -161.7 | 142.4 | -149.8 | 177.2 | -175.4 | -175.5 | 177.8 | 0 | 113.4 | ||||
| 495 | M | 31 | Very low | 30.4 | Very low | 195 Ų | 195 | 126.8 Ų | 126.8 | 96% | 0.961 | 80% | 0.798 | S | S | * | * | trans | -152 | -175.8 | 159.3 | -113.4 | 179.5 | -158.5 | 0 | 0 | 114.1 | ||||
| 496 | K | 25.8 | Very low | 30.4 | Very low | 200 Ų | 200 | 130.2 Ų | 130.2 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | -145.2 | 155.9 | -137 | -163.9 | 179.8 | 177 | -170.8 | 0 | 116 | ||||
| 497 | I | 34 | Very low | 30.2 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -67.3 | 165.1 | 176 | -8.5 | 174.1 | 0 | 0 | 0 | 113.9 | ||||
| 498 | P | 37.8 | Very low | 30.2 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | -152.8 | 165 | 84.6 | 40.8 | -20.7 | 0 | 0 | 0 | 120.7 | |||||
| 499 | S | 28.1 | Very low | 30.1 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | -67.1 | 172.1 | -178.4 | -31.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 500 | S | 29.3 | Very low | 30.1 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | -178.7 | 146.8 | 126.4 | 45.3 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 501 | S | 28.6 | Very low | 30.1 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 65.7 | 175.3 | 161.6 | 18.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 502 | A | 30.8 | Very low | 29.9 | Very low | 90 Ų | 90 | 143 Ų | 143 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | cis | 173.7 | 163.8 | -44.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 503 | S | 29.4 | Very low | 28.4 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | cis | -170.2 | 174.2 | -35.1 | 63.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 504 | S | 27.3 | Very low | 28.4 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | 71.9 | 150.1 | 176.3 | 77.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 505 | G | 26 | Very low | 28.3 | Very low | 75 Ų | 75 | 139 Ų | 139 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | -159.2 | -170.9 | 1.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 506 | Q | 27.1 | Very low | 28.1 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -94.1 | -174.6 | -170.3 | -63.8 | 164.9 | -123.6 | 0 | 0 | 113.8 | ||||
| 507 | D | 26 | Very low | 28.1 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 65% | 0.647 | 78% | 0.778 | S | S | * | * | cis | -157.9 | -146.5 | 17.5 | -147.3 | -72.1 | 0 | 0 | 0 | 115.1 | ||||
| 508 | R | 28.1 | Very low | 27.5 | Very low | 196 Ų | 196 | 134.7 Ų | 134.7 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | trans | -101.4 | 150.1 | -154.9 | -77.3 | 163.3 | 168.6 | -164.2 | 1.2 | 120.7 | ||||
| 509 | R | 26.3 | Very low | 26.9 | Very low | 191 Ų | 191 | 134.8 Ų | 134.8 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | trans | 39.5 | 136.8 | 139 | -53.4 | -180 | -173 | -178.5 | 0.7 | 123.6 | ||||
| 510 | H | 29 | Very low | 26.8 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | 153.9 | 170.6 | 114.4 | -92.5 | -70.4 | 0 | 0 | 0 | 116.4 | |||||
| 511 | H | 26.7 | Very low | 26.8 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 90% | 0.903 | 78% | 0.775 | S | S | * | * | trans | -56.9 | 160.2 | -174.5 | -97.1 | -68.2 | 0 | 0 | 0 | 117.9 | ||||
| 512 | G | 24.8 | Very low | 26.9 | Very low | 77 Ų | 77 | 142.4 Ų | 142.4 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -174.5 | 154.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 513 | D | 25.5 | Very low | 26.8 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | trans | -124.5 | 151.7 | -164.5 | -149.2 | 0.8 | 0 | 0 | 0 | 113.9 | ||||
| 514 | K | 27 | Very low | 27.2 | Very low | 175 Ų | 175 | 145.1 Ų | 145.1 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | 35.4 | 142.3 | 154.6 | -70.6 | 152.6 | -163.1 | 141.5 | 0 | 125 | ||||
| 515 | A | 26.6 | Very low | 27.2 | Very low | 94 Ų | 94 | 141.9 Ų | 141.9 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | 123.7 | 113.6 | 123.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 516 | S | 25.7 | Very low | 27.3 | Very low | 116 Ų | 116 | 144 Ų | 144 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 23.5 | 136.1 | 137.9 | -56.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 517 | L | 25.6 | Very low | 27.4 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | 171.2 | 165.8 | 119.5 | -87.1 | 165.7 | 0 | 0 | 0 | 108.9 | |||||
| 518 | K | 22.8 | Very low | 27.5 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | cis | -178.8 | 162.4 | -47 | -173.6 | 173.6 | 179.4 | 177.1 | 0 | 107.3 | ||||
| 519 | L | 25.3 | Very low | 27.4 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | trans | 78.8 | 151.9 | 172.5 | -45.7 | 174 | 0 | 0 | 0 | 115.5 | ||||
| 520 | R | 25 | Very low | 27.6 | Very low | 220 Ų | 220 | 133.3 Ų | 133.3 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | cis | -154.5 | 165 | -14.4 | -127 | 174.5 | 177 | 130.4 | -3.2 | 112.3 | ||||
| 521 | L | 28.9 | Very low | 27.5 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -62.7 | 157.9 | 170.5 | -95.1 | 145.2 | 0 | 0 | 0 | 113.8 | V523 | L521-V523 HydrophobicContact CD2-CG2 3.95Š| ||
| 522 | P | 30.6 | Very low | 28.3 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | -145.7 | -179.6 | 81.2 | 39.4 | -20.7 | 0 | 0 | 0 | 118.1 | |||||
| 523 | V | 29.5 | Very low | 28.6 | Very low | 121 Ų | 121 | 133 Ų | 133 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | -123.5 | 136.2 | -176 | 162.2 | 0 | 0 | 0 | 0 | 108.1 | L521 | L521-V523 HydrophobicContact CD2-CG2 3.95Š| ||
| 524 | P | 38.5 | Very low | 28.8 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | -149.7 | 178.7 | 95.6 | 36.4 | -16.1 | 0 | 0 | 0 | 114.4 | |||||
| 525 | G | 26.3 | Very low | 28.9 | Very low | 62 Ų | 62 | 132.1 Ų | 132.1 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | cis | 163.9 | 156.5 | -12 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 526 | S | 28.8 | Very low | 29 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | 66.6 | 151.8 | 149.6 | -56 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 527 | S | 27.7 | Very low | 29.4 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 74.7 | 158.1 | 168.1 | 77.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 528 | S | 28.2 | Very low | 29.9 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | -172.4 | 164.2 | -56.8 | 46.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 529 | N | 27.2 | Very low | 30.3 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | 74.3 | 157 | 172.3 | -53.9 | -14.2 | 0 | 0 | 0 | 116.2 | ||||
| 530 | A | 30.3 | Very low | 30.4 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | cis | -163.2 | 170.8 | -28.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 531 | L | 27.5 | Very low | 30.8 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -72.7 | 177.4 | 176.7 | -77.6 | 163.6 | 0 | 0 | 0 | 112.8 | ||||
| 532 | P | 43.3 | Very low | 30.8 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | cis | -150 | 174.6 | 21.5 | 44 | -23.1 | 0 | 0 | 0 | 121.2 | ||||
| 533 | E | 29.3 | Very low | 30.6 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | 89.5 | 144.3 | 132.6 | -94 | -89.2 | 83.7 | 0 | 0 | 125.2 | ||||
| 534 | K | 30.3 | Very low | 30.7 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 74 | 144.1 | 165.1 | -66.5 | -177.1 | -178.8 | 177.9 | 0 | 122.3 | ||||
| 535 | S | 28.9 | Very low | 30.4 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | cis | -175 | 136 | -28.4 | 50.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 536 | G | 28.5 | Very low | 30.5 | Very low | 81 Ų | 81 | 145.6 Ų | 145.6 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | 153.4 | 131.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 537 | Q | 34.3 | Very low | 30.7 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -102.4 | 169.4 | 174.1 | -77.5 | -161.9 | -18 | 0 | 0 | 112.1 | ||||
| 538 | P | 36.6 | Very low | 30.7 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | -127.7 | 169.9 | 111.5 | 37.9 | -33.4 | 0 | 0 | 0 | 115.6 | |||||
| 539 | I | 30.3 | Very low | 30.8 | Very low | 152 Ų | 152 | 152.2 Ų | 152.2 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -70.5 | 154.3 | -165.9 | -72 | 155.4 | 0 | 0 | 0 | 114.4 | ||||
| 540 | K | 29.3 | Very low | 30.7 | Very low | 180 Ų | 180 | 149.5 Ų | 149.5 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -80.5 | 150.5 | 167 | -70.2 | -178.7 | 174.3 | -175.8 | 0 | 111.9 | ||||
| 541 | D | 31.7 | Very low | 30.6 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -136.2 | 143.8 | 143.9 | -116.7 | -42.5 | 0 | 0 | 0 | 110.4 | ||||
| 542 | E | 28.9 | Very low | 30.7 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 56% | 0.556 | 78% | 0.782 | S | S | * | * | trans | -120.2 | 102.3 | -168.6 | -173.4 | -174.4 | 136.7 | 0 | 0 | 111.9 | K544 | E542-K544 WeakPolarHBondContact OE1-CD 3.37Å; E542-K544 WeakPolarHBondContact OE1-CE 3.37Å; E542-K544 IonicContact OE1-NZ 3.19Å; E542-K544 PolarHBondContact OE1-NZ 3.34Å | ||
| 543 | F | 28.1 | Very low | 30 | Very low | 216 Ų | 216 | 149.7 Ų | 149.7 | 95% | 0.947 | 79% | 0.785 | S | S | * | * | trans | -100.2 | 126.4 | 168.7 | -104 | -91.3 | 0 | 0 | 0 | 112 | ||||
| 544 | K | 29.7 | Very low | 30.1 | Very low | 156 Ų | 156 | 153.3 Ų | 153.3 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -132.2 | 91.5 | -156 | -170.2 | -175.3 | -151.9 | 135.7 | 0 | 111.7 | E542 | E542-K544 WeakPolarHBondContact OE1-CD 3.37Å; E542-K544 WeakPolarHBondContact OE1-CE 3.37Å; E542-K544 IonicContact OE1-NZ 3.19Å; E542-K544 PolarHBondContact OE1-NZ 3.34Å | ||
| 545 | M | 32.9 | Very low | 30.1 | Very low | 193 Ų | 193 | 153.7 Ų | 153.7 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | trans | -97.5 | 113.8 | -177.8 | -139.4 | 170.9 | -163.5 | 0 | 0 | 111.7 | ||||
| 546 | K | 29.3 | Very low | 30 | Very low | 196 Ų | 196 | 153.9 Ų | 153.9 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | trans | -81.7 | 124.2 | 175.2 | -69.7 | -178.8 | 176.1 | 177.7 | 0 | 110.4 | ||||
| 547 | I | 33.4 | Very low | 30.1 | Very low | 159 Ų | 159 | 155.2 Ų | 155.2 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | -99.5 | 123.7 | 159.9 | -65.1 | -179.6 | 0 | 0 | 0 | 108.2 | ||||
| 548 | K | 26.5 | Very low | 29.9 | Very low | 183 Ų | 183 | 152 Ų | 152 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -88.6 | 105.2 | -178.6 | -179.5 | -178.5 | 176.9 | -177.8 | 0 | 109.4 | ||||
| 549 | V | 29.4 | Very low | 29.5 | Very low | 126 Ų | 126 | 153.4 Ų | 153.4 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -82.6 | 120.8 | 169.3 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 550 | S | 27.1 | Very low | 29.5 | Very low | 100 Ų | 100 | 153.6 Ų | 153.6 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -105.2 | 133.7 | 168.3 | -72.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 551 | S | 27 | Very low | 29.5 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -140.6 | 100.6 | -175.2 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 552 | S | 30.7 | Very low | 29.4 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | -161.5 | 163 | 152.7 | -125.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 553 | E | 28.5 | Very low | 29.3 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | cis | -142.3 | 178.5 | 13.4 | -145.9 | 108.7 | -112.7 | 0 | 0 | 110.3 | ||||
| 554 | R | 30 | Very low | 29.5 | Very low | 229 Ų | 229 | 137.3 Ų | 137.3 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -122.6 | 116.3 | -179.8 | -73.6 | -178 | 172.7 | -161.7 | 1.3 | 113.9 | ||||
| 555 | H | 30.8 | Very low | 29.4 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -147.6 | 133.5 | 151.5 | -57 | -73.6 | 0 | 0 | 0 | 107.4 | ||||
| 556 | S | 27.5 | Very low | 29.2 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | cis | 97.2 | 130.7 | 24.4 | -163.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 557 | S | 29.8 | Very low | 29.1 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | 72.9 | 159.3 | -177 | -161 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 558 | S | 29.7 | Very low | 28.8 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | -176.7 | 157.8 | -57.5 | -88.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 559 | D | 29.1 | Very low | 28.9 | Very low | 158 Ų | 158 | 127.8 Ų | 127.8 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | trans | 84.5 | 173 | 153.9 | -136.8 | -103.1 | 0 | 0 | 0 | 122 | ||||
| 560 | E | 30.5 | Very low | 28.8 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | trans | -98.1 | 179.9 | -159.8 | -48.1 | -154.7 | 126.7 | 0 | 0 | 113.8 | ||||
| 561 | G | 29 | Very low | 28.9 | Very low | 52 Ų | 52 | 132.3 Ų | 132.3 | 54% | 0.536 | 74% | 0.742 | S | S | . | * | cis | 162.8 | 156.9 | -8.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 562 | I | 28.7 | Very low | 28.9 | Very low | 88 Ų | 88 | 132 Ų | 132 | 45% | 0.451 | 74% | 0.74 | S | S | . | * | trans | 63.5 | 120 | 149.3 | -59.8 | 172.9 | 0 | 0 | 0 | 121.2 | A308 F309 | A308-I562 HydrophobicContact CB-CB 4.39Å; A308-I562 HydrophobicContact CB-CD1 3.91Å; A308-I562 HydrophobicContact CB-CG2 3.85Å; F309-I562 HydrophobicContact CD1-CD1 4.1Å; F309-I562 HydrophobicContact CE1-CD1 3.56Å; F309-I562 HydrophobicContact CZ-CD1 4.33Å | ||
| 563 | S | 28.1 | Very low | 28.8 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | trans | 62.4 | 160.3 | 148.4 | -70.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 564 | A | 31.1 | Very low | 29 | Very low | 80 Ų | 80 | 130.5 Ų | 130.5 | 66% | 0.661 | 74% | 0.744 | S | S | * | * | cis | -170.4 | 175.7 | -25 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 565 | N | 28.5 | Very low | 28.9 | Very low | 158 Ų | 158 | 127 Ų | 127 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | trans | 68.8 | 159.7 | 170.6 | -78.1 | -17.9 | 0 | 0 | 0 | 118.3 | ||||
| 566 | N | 28 | Very low | 28.8 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | cis | -177.5 | 125.2 | -31.9 | 169.8 | 12 | 0 | 0 | 0 | 109.3 | ||||
| 567 | S | 27.4 | Very low | 28.7 | Very low | 111 Ų | 111 | 124.7 Ų | 124.7 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -156.2 | 119.9 | 153.9 | 41.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 568 | K | 28 | Very low | 28.7 | Very low | 190 Ų | 190 | 128.7 Ų | 128.7 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | trans | 16.8 | 138.4 | 133.2 | -73.3 | 172 | 178 | 173.3 | 0 | 117.2 | ||||
| 569 | S | 28 | Very low | 28.4 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | cis | -176.7 | 173.2 | 18.9 | 38.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 570 | K | 28.1 | Very low | 28.4 | Very low | 162 Ų | 162 | 133 Ų | 133 | 70% | 0.704 | 75% | 0.745 | S | S | * | * | -178.2 | 148 | 65 | -84.6 | -172.1 | 174.1 | -179.3 | 0 | 112 | |||||
| 571 | H | 29.2 | Very low | 28.4 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | trans | 49.4 | 152.6 | 144.5 | -51.6 | -39.7 | 0 | 0 | 0 | 121.4 | ||||
| 572 | S | 26.7 | Very low | 28.3 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | cis | -166.2 | 155.4 | -20.6 | -92.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 573 | S | 27.4 | Very low | 28.2 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -80.1 | 169.1 | 172.6 | -42.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 574 | P | 33.9 | Very low | 28.3 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | -127.1 | 161.9 | 135.4 | 37.1 | -29.9 | 0 | 0 | 0 | 114.2 | ||||
| 575 | L | 26.9 | Very low | 28.2 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -155.2 | 152.4 | -167.6 | -65.4 | 175.9 | 0 | 0 | 0 | 108.6 | ||||
| 576 | V | 29.1 | Very low | 28.4 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | cis | -159.9 | 155.5 | -12.6 | 109.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 577 | S | 24.8 | Very low | 28.6 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | trans | -131 | 155.1 | 170.2 | -81.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 578 | K | 30.8 | Very low | 28.8 | Very low | 194 Ų | 194 | 146.9 Ų | 146.9 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -158.6 | 127.7 | -158.1 | 168.7 | -172 | 179.3 | -178.7 | 0 | 109.5 | ||||
| 579 | E | 23.3 | Very low | 28.9 | Very low | 187 Ų | 187 | 145.6 Ų | 145.6 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -126.4 | 155.5 | 174.5 | -154.1 | 167.8 | 150 | 0 | 0 | 111.7 | ||||
| 580 | K | 29.2 | Very low | 29.2 | Very low | 172 Ų | 172 | 152.3 Ų | 152.3 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -159.1 | 127.1 | -164.3 | 179.3 | -169.7 | -179.5 | -171.9 | 0 | 109.8 | ||||
| 581 | H | 29.5 | Very low | 30.4 | Very low | 178 Ų | 178 | 149 Ų | 149 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -114.6 | 171.1 | 166.2 | -109 | -106.5 | 0 | 0 | 0 | 112.5 | ||||
| 582 | R | 28.3 | Very low | 30.4 | Very low | 229 Ų | 229 | 150.4 Ų | 150.4 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -136.9 | 179.5 | -152.3 | -156.3 | 179.5 | -178.4 | 177.6 | -1 | 111.7 | ||||
| 583 | S | 25.3 | Very low | 30.6 | Very low | 114 Ų | 114 | 153.5 Ų | 153.5 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | 92.5 | 145.2 | 168.6 | -52.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 584 | A | 30.5 | Very low | 30.9 | Very low | 84 Ų | 84 | 156.6 Ų | 156.6 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | cis | -163.3 | 149 | -21.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 585 | E | 30.2 | Very low | 30.7 | Very low | 163 Ų | 163 | 155.9 Ų | 155.9 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 27.3 | 149.5 | 149.6 | -45.5 | -168.4 | 127.2 | 0 | 0 | 121.8 | ||||
| 586 | H | 32.9 | Very low | 30.9 | Very low | 159 Ų | 159 | 151 Ų | 151 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | cis | -146.4 | 151.2 | 26.7 | -71.9 | -89.6 | 0 | 0 | 0 | 115.8 | ||||
| 587 | N | 30.8 | Very low | 31.2 | Very low | 131 Ų | 131 | 153.5 Ų | 153.5 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | -2.4 | 157.4 | 130.3 | -70.1 | -14.9 | 0 | 0 | 0 | 121.1 | ||||
| 588 | L | 31.5 | Very low | 31.4 | Very low | 126 Ų | 126 | 150.4 Ų | 150.4 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | cis | -165 | 160.7 | -3.8 | -104.3 | 164.8 | 0 | 0 | 0 | 113.8 | ||||
| 589 | H | 31.3 | Very low | 31.5 | Very low | 164 Ų | 164 | 153.8 Ų | 153.8 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | 22.2 | 119.6 | 155 | -66.8 | -16.8 | 0 | 0 | 0 | 127.9 | ||||
| 590 | R | 33 | Very low | 31.8 | Very low | 234 Ų | 234 | 148.4 Ų | 148.4 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | 73.7 | -176.6 | 106.5 | -120.5 | -166.1 | 178.3 | 179.4 | 0.3 | 120.2 | |||||
| 591 | P | 54.5 | Low | 31.8 | Very low | 94 Ų | 94 | 145.3 Ų | 145.3 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | -129.7 | 178 | -124.9 | 44.2 | -25.9 | 0 | 0 | 0 | 117.6 | |||||
| 592 | H | 29.3 | Very low | 32 | Very low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | trans | -178.6 | -174.3 | 133.1 | -111.8 | -101.9 | 0 | 0 | 0 | 114.6 | ||||
| 593 | K | 30.8 | Very low | 32.1 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | trans | -110.6 | 166.8 | -173.8 | -69.4 | -178.6 | 175.6 | 179.6 | 0 | 114.6 | ||||
| 594 | H | 33.4 | Very low | 32.4 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | trans | 117.3 | 123.5 | 132.7 | -84.3 | -71.4 | 0 | 0 | 0 | 121 | ||||
| 595 | S | 28.9 | Very low | 33.3 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -173.7 | 155.8 | 132.3 | -162.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 596 | G | 32 | Very low | 33.3 | Very low | 52 Ų | 52 | 136.6 Ų | 136.6 | 54% | 0.536 | 78% | 0.778 | S | S | . | * | cis | 102.5 | 133.3 | 7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 597 | N | 35.3 | Very low | 33.3 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | cis | -154.9 | 174.1 | -0.5 | -78.1 | -43.5 | 0 | 0 | 0 | 108.2 | ||||
| 598 | G | 29.5 | Very low | 33.3 | Very low | 64 Ų | 64 | 137.2 Ų | 137.2 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | cis | 166.6 | -150.1 | 5.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 599 | R | 31.8 | Very low | 33.1 | Very low | 265 Ų | 265 | 141.6 Ų | 141.6 | 100% | 1 | 79% | 0.793 | S | S | * | * | trans | 80.1 | 129.7 | -173.8 | -54.2 | -177.5 | 176.1 | -142.9 | -0.9 | 115.6 | ||||
| 600 | G | 29.4 | Very low | 33.3 | Very low | 73 Ų | 73 | 139.8 Ų | 139.8 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | cis | 163.4 | 141.7 | -15.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 601 | A | 30.2 | Very low | 33.7 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | 61.9 | 148.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 602 | A | 33.4 | Very low | 33.4 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | cis | -164.6 | 170.6 | -18.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 603 | E | 30.5 | Very low | 33.4 | Very low | 200 Ų | 200 | 130 Ų | 130 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | trans | 68.9 | 168.2 | 162 | -50.2 | -144 | 102.3 | 0 | 0 | 120.6 | ||||
| 604 | A | 31.8 | Very low | 33.5 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -163.3 | -168.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 605 | P | 49.7 | Very low | 33.5 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | cis | -123.2 | 169.2 | -28.1 | 39 | -25.5 | 0 | 0 | 0 | 112.9 | ||||
| 606 | G | 29.5 | Very low | 33.6 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | trans | 167.4 | 127.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 607 | L | 31.9 | Very low | 33.6 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | 14.5 | 140.7 | 142.9 | -67.3 | 171.1 | 0 | 0 | 0 | 124.1 | ||||
| 608 | L | 31 | Very low | 33.3 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | trans | 75.5 | 110.9 | 139.4 | -70.1 | 168.6 | 0 | 0 | 0 | 123.5 | ||||
| 609 | R | 27.8 | Very low | 33.3 | Very low | 218 Ų | 218 | 133.6 Ų | 133.6 | 82% | 0.823 | 81% | 0.808 | S | S | * | * | 63.3 | 110.8 | 113.2 | -167.2 | -176.9 | -169.4 | 171.6 | 4.4 | 121.8 | |||||
| 610 | V | 34.6 | Very low | 33.3 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | trans | 71.2 | 134.2 | 149.6 | 171.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 611 | P | 41.5 | Very low | 33.4 | Very low | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | -151.6 | -139.4 | 106.3 | 41.5 | -17.2 | 0 | 0 | 0 | 115.9 | |||||
| 612 | P | 49.4 | Very low | 33.4 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | -121.9 | -168.1 | -129.5 | 34.6 | -9.7 | 0 | 0 | 0 | 114.8 | |||||
| 613 | G | 29 | Very low | 33.2 | Very low | 68 Ų | 68 | 130.8 Ų | 130.8 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | cis | 133.8 | 134.1 | -13.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 614 | L | 33.1 | Very low | 33.2 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | 66.4 | 126.9 | 167.9 | -65.4 | 175.2 | 0 | 0 | 0 | 121.7 | ||||
| 615 | V | 32.4 | Very low | 33.7 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | trans | -145.9 | 157.6 | 147 | -171.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 616 | A | 32.1 | Very low | 33 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -146.2 | -169 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 617 | M | 32.5 | Very low | 33.1 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 86% | 0.862 | 80% | 0.797 | S | S | * | * | trans | 84.5 | 123.2 | 173.5 | -148.8 | 162.4 | 178.2 | 0 | 0 | 114.4 | ||||
| 618 | E | 29.1 | Very low | 33.2 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | cis | -148.2 | -156.4 | -5 | -135.9 | -160.5 | 81.5 | 0 | 0 | 109.9 | ||||
| 619 | G | 29.3 | Very low | 33.1 | Very low | 61 Ų | 61 | 129 Ų | 129 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | cis | -178.3 | -125.6 | 11.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 620 | T | 31.8 | Very low | 33.2 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -92 | 160.6 | -163.9 | 41.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 621 | A | 30.3 | Very low | 32.8 | Very low | 83 Ų | 83 | 125 Ų | 125 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | cis | -167.2 | 169.9 | -15.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 622 | L | 31.7 | Very low | 32.3 | Very low | 181 Ų | 181 | 124.6 Ų | 124.6 | 95% | 0.948 | 79% | 0.787 | S | S | * | * | trans | 68.8 | 134.7 | 168.9 | -55.4 | 170.7 | 0 | 0 | 0 | 118 | ||||
| 623 | G | 28.8 | Very low | 31.5 | Very low | 72 Ų | 72 | 123.5 Ų | 123.5 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | cis | -175.7 | 132.8 | -8.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 624 | H | 30 | Very low | 31.8 | Very low | 186 Ų | 186 | 124.1 Ų | 124.1 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | 51.2 | 125.7 | 157.2 | -106.5 | -73.4 | 0 | 0 | 0 | 124.9 | ||||
| 625 | P | 41.3 | Very low | 31.7 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -113.9 | -168.7 | 152.4 | 41 | -31.4 | 0 | 0 | 0 | 113.5 | ||||
| 626 | T | 35.2 | Very low | 31.7 | Very low | 133 Ų | 133 | 128 Ų | 128 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | -39.7 | 151.2 | -179.2 | 53.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 627 | S | 33 | Very low | 31.5 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -100 | 148.3 | 151.4 | -67.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 628 | A | 33.2 | Very low | 31.3 | Very low | 85 Ų | 85 | 129.6 Ų | 129.6 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | cis | -143.9 | -140.1 | -10.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 629 | T | 29.3 | Very low | 31.3 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | cis | -155.8 | -161.6 | 9.9 | -26 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 630 | L | 28.9 | Very low | 31.4 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -146.3 | 170 | -164.1 | -60.1 | 172.7 | 0 | 0 | 0 | 110.5 | ||||
| 631 | T | 28.1 | Very low | 31.3 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | cis | -171.3 | 134.1 | -33.4 | 35.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 632 | S | 30 | Very low | 31.3 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | 62.7 | 174.6 | 154.3 | 80.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 633 | S | 32.9 | Very low | 31.3 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | cis | -159.1 | 151.4 | 3.6 | -156.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 634 | S | 34.3 | Very low | 31.7 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 57% | 0.573 | 77% | 0.768 | S | S | * | * | trans | 66.1 | 117.9 | 139.2 | -70.9 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 635 | R | 32.6 | Very low | 31.8 | Very low | 225 Ų | 225 | 131.7 Ų | 131.7 | 85% | 0.849 | 75% | 0.753 | S | S | * | * | 83.7 | 110.3 | 121.2 | -64.3 | 172 | -163.8 | -142.1 | -1.6 | 123.8 | |||||
| 636 | K | 31.1 | Very low | 31.3 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | 80.1 | 115.4 | 111.4 | -167.8 | -174.1 | -174.2 | 178.1 | 0 | 122 | |||||
| 637 | R | 29.2 | Very low | 31.3 | Very low | 219 Ų | 219 | 134.9 Ų | 134.9 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | 148.7 | 103.1 | 122.8 | -174.7 | -177 | -85 | 151.3 | -11.9 | 117.1 | |||||
| 638 | A | 27.3 | Very low | 32.1 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 65% | 0.653 | 75% | 0.745 | S | S | * | * | trans | 40.5 | 146.8 | 133.7 | 0 | 0 | 0 | 0 | 0 | 127 | ||||
| 639 | Y | 28.3 | Very low | 32 | Very low | 231 Ų | 231 | 134.8 Ų | 134.8 | 91% | 0.906 | 74% | 0.74 | S | S | * | * | trans | 71.2 | 149.9 | 156.1 | -75.1 | -57.2 | 0 | 0 | 0 | 118.9 | ||||
| 640 | A | 33 | Very low | 32 | Very low | 81 Ų | 81 | 134.5 Ų | 134.5 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | cis | -166.9 | 161.5 | -2.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 641 | E | 28.1 | Very low | 32.4 | Very low | 198 Ų | 198 | 132.5 Ų | 132.5 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | cis | -115.6 | -115.6 | -19.3 | -72.1 | -157.7 | 48.8 | 0 | 0 | 109.9 | ||||
| 642 | G | 30.7 | Very low | 32.4 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | cis | 165.1 | 152.4 | -8.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 643 | G | 31.7 | Very low | 32.5 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | cis | -177.5 | 175.7 | -10.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 644 | H | 37.1 | Very low | 32.1 | Very low | 175 Ų | 175 | 136 Ų | 136 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | 75.7 | 143.7 | 166.7 | -64.4 | 20.7 | 0 | 0 | 0 | 118.1 | ||||
| 645 | N | 32.8 | Very low | 31.7 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 55% | 0.545 | 77% | 0.773 | S | S | . | * | cis | -170.9 | 157.6 | -14.2 | -104.8 | -17.5 | 0 | 0 | 0 | 107.8 | ||||
| 646 | H | 31.4 | Very low | 31.5 | Very low | 154 Ų | 154 | 136 Ų | 136 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | cis | -128.4 | -175.7 | -8.7 | -61.2 | -78.9 | 0 | 0 | 0 | 107.4 | ||||
| 647 | H | 34.1 | Very low | 31.4 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | cis | 68.4 | 157.2 | 20.1 | -72.1 | -64.5 | 0 | 0 | 0 | 117.8 | S649 | H647-S649 PolarHBondContact ND1-OG 2.96Š| ||
| 648 | P | 49.7 | Very low | 31.6 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | cis | -112.9 | 161 | -21.1 | 38.4 | -26.5 | 0 | 0 | 0 | 112.5 | ||||
| 649 | S | 30.7 | Very low | 31.7 | Very low | 86 Ų | 86 | 133.4 Ų | 133.4 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | cis | 81.8 | 82 | 4.1 | 88.8 | 0 | 0 | 0 | 0 | 119.5 | H647 | H647-S649 PolarHBondContact ND1-OG 2.96Š| ||
| 650 | S | 30.1 | Very low | 31.9 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -161 | 163.5 | 154.9 | 66.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 651 | S | 37.6 | Very low | 31.9 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -143.2 | 136.6 | -178.9 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 652 | T | 28.9 | Very low | 32.3 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 91% | 0.914 | 77% | 0.765 | S | S | * | * | trans | -155 | 158.1 | 169.5 | 0.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 653 | S | 30.1 | Very low | 32.4 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -107.7 | 134.5 | -177.6 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 654 | C | 25.1 | Very low | 32.5 | Very low | 134 Ų | 134 | 132 Ų | 132 | 91% | 0.905 | 77% | 0.768 | S | S | * | * | trans | -169.7 | -172.9 | 146.9 | 62.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 655 | S | 26.7 | Very low | 32.4 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -130.3 | 146.8 | -158.2 | -57.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 656 | K | 27.1 | Very low | 32.3 | Very low | 197 Ų | 197 | 130 Ų | 130 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | trans | 73.7 | 154.8 | 151.7 | -77.2 | -179 | 175.7 | 179.3 | 0 | 120.4 | ||||
| 657 | V | 30.2 | Very low | 32.4 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | 74.6 | 140.6 | 149.2 | 158.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 658 | S | 32.5 | Very low | 32.3 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | cis | -172.3 | 162.4 | -20.2 | -89.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 659 | K | 30.1 | Very low | 31.2 | Very low | 200 Ų | 200 | 123.5 Ų | 123.5 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | 173.3 | 144.6 | 143.7 | -96.9 | 154.3 | -172.4 | 177.8 | 0 | 107.7 | ||||
| 660 | I | 32.9 | Very low | 31.1 | Very low | 155 Ų | 155 | 122.7 Ų | 122.7 | 80% | 0.795 | 80% | 0.799 | S | S | * | * | cis | -152.2 | 174.3 | 5.1 | -155.9 | 149.9 | 0 | 0 | 0 | 106.3 | ||||
| 661 | S | 31.6 | Very low | 31 | Very low | 93 Ų | 93 | 124.4 Ų | 124.4 | 65% | 0.65 | 80% | 0.798 | S | S | * | * | cis | -145.8 | -98 | 17.6 | -170.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 662 | K | 36.3 | Very low | 30.7 | Very low | 188 Ų | 188 | 129.8 Ų | 129.8 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | -164 | 159 | -154.1 | -71.5 | -177.5 | 179.3 | -179.6 | 0 | 109.6 | ||||
| 663 | S | 33.1 | Very low | 30.7 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | cis | -176.9 | 160.5 | -14.9 | 49.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 664 | G | 34 | Very low | 30.6 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | cis | -163.7 | -113.8 | 4.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 665 | T | 35.2 | Very low | 30.8 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | cis | -165 | 144.5 | -8.2 | -46.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 666 | S | 31.8 | Very low | 30.9 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | 66.7 | 132.9 | 163.2 | -69.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 667 | A | 32.8 | Very low | 30.9 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 85 | 112 | 152.9 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 668 | A | 31.5 | Very low | 30.9 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 6.9 | 154.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 669 | G | 26.9 | Very low | 32.2 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | cis | 161.1 | 165.3 | -2.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 670 | G | 28 | Very low | 33.4 | Very low | 68 Ų | 68 | 130 Ų | 130 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 107.4 | 129.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 671 | L | 29.7 | Very low | 33.2 | Very low | 161 Ų | 161 | 126.2 Ų | 126.2 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | cis | 74.2 | 137.5 | 39 | -53.9 | 171.1 | 0 | 0 | 0 | 112.6 | ||||
| 672 | R | 29.7 | Very low | 33 | Very low | 224 Ų | 224 | 131.1 Ų | 131.1 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | cis | -158.7 | 176.9 | 10 | -136.7 | 172.7 | -168.5 | -179.5 | 3.4 | 113 | ||||
| 673 | T | 30 | Very low | 32.9 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | -69.2 | 156.4 | 168.4 | 49.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 674 | S | 27.6 | Very low | 34 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | -170.7 | 178.5 | 124.7 | -148 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 675 | Q | 28.9 | Very low | 34 | Very low | 161 Ų | 161 | 130 Ų | 130 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -106.6 | 168.2 | 178.4 | -61.6 | 169.9 | -49 | 0 | 0 | 112.5 | ||||
| 676 | Q | 29.8 | Very low | 34 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | 40.9 | 133.7 | 146.5 | -68.8 | 171.3 | -32 | 0 | 0 | 121.5 | ||||
| 677 | F | 26.5 | Very low | 34.2 | Very low | 197 Ų | 197 | 132.1 Ų | 132.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | 179.1 | 177.5 | 107.1 | -109.2 | -87.2 | 0 | 0 | 0 | 113.7 | |||||
| 678 | L | 30.6 | Very low | 34.3 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -135.8 | -175.4 | -176.7 | -88.6 | 170.6 | 0 | 0 | 0 | 108.9 | ||||
| 679 | P | 59.5 | Low | 34.9 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | cis | -128.8 | -27.3 | -10 | 11.3 | 12.6 | 0 | 0 | 0 | 124 | ||||
| 680 | P | 56.1 | Low | 35.7 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | -124 | 151.9 | -114.7 | 40.3 | -27.7 | 0 | 0 | 0 | 119.6 | |||||
| 681 | G | 27.5 | Very low | 36.5 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | trans | 81.4 | 156.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 682 | E | 28.3 | Very low | 37.4 | Very low | 196 Ų | 196 | 144 Ų | 144 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | cis | -156.3 | -166.7 | -27.9 | -142.8 | 170.8 | 168.8 | 0 | 0 | 109.9 | ||||
| 683 | S | 33.9 | Very low | 37.8 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | -94.2 | -158.8 | -170.8 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 684 | P | 55.9 | Low | 38.2 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | cis | -141.7 | -160.1 | -2.3 | 21.3 | 9.1 | 0 | 0 | 0 | 116.1 | ||||
| 685 | H | 33.8 | Very low | 38.8 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | 76.8 | 144.3 | 163.5 | -70.6 | -87 | 0 | 0 | 0 | 119.9 | ||||
| 686 | E | 35.7 | Very low | 39.3 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 72% | 0.715 | 75% | 0.753 | S | S | * | * | cis | -162.7 | 161.7 | -17.5 | -138.3 | -173.6 | 129.9 | 0 | 0 | 114.5 | ||||
| 687 | V | 36.3 | Very low | 39.9 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | trans | 46.3 | 143.3 | 145.1 | 153.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 688 | G | 35 | Very low | 40.8 | Very low | 63 Ų | 63 | 136.3 Ų | 136.3 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | trans | 131.5 | 94.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 689 | E | 42.8 | Very low | 41.6 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | 63.9 | 139.7 | 69.2 | -66.8 | -132 | 100.1 | 0 | 0 | 115.6 | |||||
| 690 | Q | 43.5 | Very low | 40.2 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 58% | 0.579 | 75% | 0.747 | S | S | * | * | cis | -163.9 | 153.6 | -26 | -152 | -166 | 97 | 0 | 0 | 107.8 | ||||
| 691 | R | 45.5 | Very low | 38.9 | Very low | 196 Ų | 196 | 139.2 Ų | 139.2 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | trans | 68.8 | 161.8 | 168.8 | -55.4 | -178 | -174.2 | -149.6 | 2.2 | 115.9 | ||||
| 692 | H | 48.2 | Very low | 39.9 | Very low | 224 Ų | 224 | 144.9 Ų | 144.9 | 100% | 1.037 | 74% | 0.744 | S | S | * | * | cis | -129.5 | 0 | 4.9 | -137.9 | -44.8 | 0 | 0 | 0 | 113.9 |
Retrieved 692 of 692 residues in 110.1 ms
(Link to these results)