| 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 | 41.7 | Very low | 60 | Low | 142 Ų | 142 | 77.4 Ų | 77.4 | 70% | 0.7 | 41% | 0.41 | S | S | * | . | 0 | 103.1 | 0 | -89 | -107.9 | -175.9 | 0 | 0 | 110.1 | Y3 H611 | M1-Y3 HydrophobicContact CB-CE2 4.19Å; M1-Y3 WeakPolarHBondContact O-CD2 3.44Å; M1-Y3 WeakPolarHBondContact O-CE2 3.35Å; M1-Y3 PolarHBondContact O-N 2.03Å; M1-H611 HydrophobicContact CE-CB 4.37Å | |||
| 2 | D | 43.4 | Very low | 62.5 | Low | 110 Ų | 110 | 70.9 Ų | 70.9 | 59% | 0.588 | 38% | 0.375 | S | S | * | . | trans | -51.2 | 74.5 | 179.7 | -136.7 | -9.4 | 0 | 0 | 0 | 111 | S4 K5 | D2-S4 PolarHBondContact O-N 2.5Å; D2-K5 PolarHBondContact O-N 2.12Å | ||
| 3 | Y | 52.5 | Low | 64.6 | Low | 59 Ų | 59 | 68.8 Ų | 68.8 | 23% | 0.231 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -50.5 | -7 | -178.8 | -74.7 | -77.2 | 0 | 0 | 0 | 110.3 | M1 K5 L6 H11 E60 | M1-Y3 HydrophobicContact CB-CE2 4.19Å; M1-Y3 WeakPolarHBondContact O-CD2 3.44Å; M1-Y3 WeakPolarHBondContact O-CE2 3.35Å; M1-Y3 PolarHBondContact O-N 2.03Å; Y3-K5 VanDerWaalsContact C-N 3.35Å; Y3-K5 PolarHBondContact O-N 2.19Å; Y3-L6 HydrophobicContact CD1-CD1 4.44Å; Y3-L6 PolarHBondContact O-N 3.38Å; Y3-H11 HydrophobicContact CE1-CB 4.45Å; Y3-E60 HydrophobicContact CE1-CG 4.39Å |
| 4 | S | 44.7 | Very low | 66.5 | Low | 104 Ų | 104 | 64.2 Ų | 64.2 | 73% | 0.727 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -87.7 | -1.7 | -173.9 | -50.2 | 0 | 0 | 0 | 0 | 110.3 | D2 | D2-S4 PolarHBondContact O-N 2.5Š|
| 5 | K | 43 | Very low | 68.1 | Low | 185 Ų | 185 | 63.4 Ų | 63.4 | 80% | 0.804 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -119 | 0 | -178.4 | -87.9 | -178.5 | -173.3 | -176.4 | 0 | 109.9 | D2 Y3 | D2-K5 PolarHBondContact O-N 2.12Å; Y3-K5 VanDerWaalsContact C-N 3.35Å; Y3-K5 PolarHBondContact O-N 2.19Å |
| 6 | L | 50.1 | Low | 69.5 | Low | 34 Ų | 34 | 63.3 Ų | 63.3 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | 0 | 33.2 | 0 | -81 | 141.8 | 0 | 0 | 0 | 109.2 | Y3 S8 Y9 H11 | Y3-L6 HydrophobicContact CD1-CD1 4.44Å; Y3-L6 PolarHBondContact O-N 3.38Å; L6-S8 PolarHBondContact O-N 2.51Å; L6-Y9 HydrophobicContact CD2-CE1 3.72Å; L6-Y9 HydrophobicContact CD2-CE2 4.03Å; L6-Y9 WeakPolarHBondContact CD2-OH 3.11Å; L6-Y9 PolarHBondContact O-N 3Å; L6-Y9 VanDerWaalsContact O-O 3.11Å; L6-H11 WeakPolarHBondContact CD1-CE1 2.09Å | |||
| 7 | S | 58.7 | Low | 70.8 | Confident | 102 Ų | 102 | 59.6 Ų | 59.6 | 71% | 0.713 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 5.3 | -177.3 | 100.4 | 0 | 0 | 0 | 0 | 111 | ||
| 8 | S | 71.1 | Confident | 71.9 | Confident | 25 Ų | 25 | 59.6 Ų | 59.6 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -9.8 | -171.7 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | L6 R111 | L6-S8 PolarHBondContact O-N 2.51Å; S8-R111 CovalentContact CB-NH2 1.42Å; S8-R111 PolarHBondContact OG-NH2 2.92Å |
| 9 | Y | 81.3 | Confident | 72.9 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 14% | 0.141 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -161.6 | 158.2 | 174.4 | 58.1 | -90.9 | 0 | 0 | 0 | 109.4 | L6 H11 G107 E108 | L6-Y9 HydrophobicContact CD2-CE1 3.72Å; L6-Y9 HydrophobicContact CD2-CE2 4.03Å; L6-Y9 WeakPolarHBondContact CD2-OH 3.11Å; L6-Y9 PolarHBondContact O-N 3Å; L6-Y9 VanDerWaalsContact O-O 3.11Å; Y9-H11 AromaticContact CE2-CD2 3.91Å; Y9-H11 AromaticContact CE2-CE1 3.47Å; Y9-H11 VanDerWaalsContact CE2-CE1 3.47Å; Y9-H11 WeakPolarHBondContact CE2-CE1 2.52Å; Y9-H11 AromaticContact CE2-NE2 3.27Å; Y9-H11 VanDerWaalsContact CE2-NE2 3.27Å; Y9-H11 WeakPolarHBondContact CE2-NE2 3.43Å; Y9-H11 AromaticContact CZ-NE2 3.88Å; Y9-G107 WeakPolarHBondContact CB-O 3.41Å; Y9-G107 VanDerWaalsContact CD2-C 3.47Å; Y9-G107 WeakPolarHBondContact CD2-O 2.76Å; Y9-E108 HydrophobicContact CE1-CG 4.47Å |
| 10 | R | 87.8 | Confident | 73.8 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.015 | 29% | 0.293 | C | S | . | . | trans | -98.5 | 146.8 | -177.7 | -73 | -175.6 | -177.2 | -146.5 | 2.2 | 109.5 | D64 L66 H91 W98 Y99 P106 G107 Y203 | R10-D64 WeakPolarHBondContact CB-OD2 3.46Å; R10-D64 HydrophobicContact CG-CB 4.2Å; R10-L66 VanDerWaalsContact CZ-CD2 3.45Å; R10-H91 PolarHBondContact NH2-CD2 1.04Å; R10-H91 PolarHBondContact NH2-NE2 3.47Å; R10-W98 HydrophobicContact CB-CB 3.98Å; R10-W98 HydrophobicContact CG-CB 3.49Å; R10-W98 VanDerWaalsContact CG-CB 3.49Å; R10-W98 HydrophobicContact CG-CD2 4.25Å; R10-W98 HydrophobicContact CG-CG 3.59Å; R10-W98 VanDerWaalsContact NE-CD2 3.26Å; R10-Y99 HydrophobicContact CB-CE1 4.22Å; R10-Y99 WeakPolarHBondContact CD-OH 3.46Å; R10-P106 WeakPolarHBondContact O-CB 3.34Å; R10-G107 PolarHBondContact O-N 2.86Å; R10-Y203 PolarHBondContact NH1-O 3.49Å; R10-Y203 PolarHBondContact NH2-O 2.77Å | ||
| 11 | H | 86 | Confident | 74.6 | Confident | 50 Ų | 50 | 54.4 Ų | 54.4 | 23% | 0.231 | 28% | 0.279 | C | S | . | . | trans | -96.9 | -26.7 | 179.7 | -67 | 82.6 | 0 | 0 | 0 | 110.8 | Y3 L6 Y9 D64 | Y3-H11 HydrophobicContact CE1-CB 4.45Å; L6-H11 WeakPolarHBondContact CD1-CE1 2.09Å; Y9-H11 AromaticContact CE2-CD2 3.91Å; Y9-H11 AromaticContact CE2-CE1 3.47Å; Y9-H11 VanDerWaalsContact CE2-CE1 3.47Å; Y9-H11 WeakPolarHBondContact CE2-CE1 2.52Å; Y9-H11 AromaticContact CE2-NE2 3.27Å; Y9-H11 VanDerWaalsContact CE2-NE2 3.27Å; Y9-H11 WeakPolarHBondContact CE2-NE2 3.43Å; Y9-H11 AromaticContact CZ-NE2 3.88Å; H11-D64 PolarHBondContact N-OD1 2.94Å; H11-D64 PolarHBondContact N-OD2 3.32Å; H11-D64 IonicContact ND1-OD1 3.84Å | ||
| 12 | A | 89.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -81.6 | 136.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V17 E60 I61 D64 | A12-V17 HydrophobicContact CB-CG2 3.7Å; A12-E60 HydrophobicContact CB-CB 4.31Å; A12-I61 HydrophobicContact CB-CG1 3.77Å; A12-D64 WeakPolarHBondContact CB-OD2 3.28Å; A12-D64 PolarHBondContact N-OD2 2.38Å |
| 13 | D | 90.5 | Very high | 79 | Confident | 44 Ų | 44 | 46 Ų | 46 | 24% | 0.235 | 24% | 0.237 | C | C | . | . | trans | -69.1 | 122.2 | 174.3 | -175.3 | -6.3 | 0 | 0 | 0 | 110.8 | L15 K16 V17 | D13-L15 PolarHBondContact O-N 1.38Å; D13-L15 VanDerWaalsContact O-N 3.1Å; D13-L15 PolarHBondContact OD1-N 3.4Å; D13-K16 HydrophobicContact CB-CB 4.19Å; D13-K16 HydrophobicContact CB-CD 4.09Å; D13-K16 HydrophobicContact CB-CG 4.03Å; D13-K16 WeakPolarHBondContact O-CB 3.49Å; D13-K16 PolarHBondContact O-N 3.45Å; D13-V17 WeakPolarHBondContact O-CG2 2.7Å; D13-V17 PolarHBondContact O-N 1.72Å | ||
| 14 | P | 91.1 | Very high | 80.6 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.2 | -33.5 | -175.7 | 17 | -27.1 | 0 | 0 | 0 | 111.7 | K16 V17 R18 Y99 I242 | P14-K16 VanDerWaalsContact C-N 3.26Å; P14-V17 WeakPolarHBondContact O-CB 2.24Å; P14-V17 PolarHBondContact O-N 2.77Å; P14-R18 PolarHBondContact O-N 3.41Å; P14-Y99 HydrophobicContact CB-CE1 4.34Å; P14-Y99 HydrophobicContact CG-CD1 4.42Å; P14-Y99 HydrophobicContact CG-CE1 3.88Å; P14-I242 HydrophobicContact CB-CG2 3.65Å; P14-I242 WeakPolarHBondContact CB-O 0.83Å; P14-I242 HydrophobicContact CG-CG2 3.97Å |
| 15 | L | 90.4 | Very high | 82.5 | Confident | 52 Ų | 52 | 40.5 Ų | 40.5 | 27% | 0.272 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.4 | -39.9 | 179.5 | -72 | 178.9 | 0 | 0 | 0 | 111 | D13 V17 R18 Q19 H244 | D13-L15 PolarHBondContact O-N 1.38Å; D13-L15 VanDerWaalsContact O-N 3.1Å; D13-L15 PolarHBondContact OD1-N 3.4Å; L15-V17 PolarHBondContact O-N 3.15Å; L15-R18 PolarHBondContact O-N 3.03Å; L15-Q19 VanDerWaalsContact O-CG 3.29Å; L15-Q19 WeakPolarHBondContact O-CG 2.44Å; L15-Q19 PolarHBondContact O-N 3.42Å; L15-H244 VanDerWaalsContact CD2-C 3.4Å; L15-H244 WeakPolarHBondContact CD2-O 3.06Å |
| 16 | K | 90.9 | Very high | 84.4 | Confident | 62 Ų | 62 | 36.7 Ų | 36.7 | 27% | 0.27 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69 | -31.9 | 178.1 | -70.8 | -175.8 | -178.4 | 177.1 | 0 | 110.8 | D13 P14 R18 Q19 V20 L57 | D13-K16 HydrophobicContact CB-CB 4.19Å; D13-K16 HydrophobicContact CB-CD 4.09Å; D13-K16 HydrophobicContact CB-CG 4.03Å; D13-K16 WeakPolarHBondContact O-CB 3.49Å; D13-K16 PolarHBondContact O-N 3.45Å; P14-K16 VanDerWaalsContact C-N 3.26Å; K16-R18 PolarHBondContact O-N 2.87Å; K16-Q19 PolarHBondContact O-N 3.41Å; K16-V20 WeakPolarHBondContact O-CG2 1.43Å; K16-V20 PolarHBondContact O-N 2.32Å; K16-L57 HydrophobicContact CB-CD1 3.73Å; K16-L57 HydrophobicContact CB-CD2 4.28Å; K16-L57 HydrophobicContact CD-CD1 3.57Å; K16-L57 HydrophobicContact CD-CD2 4.41Å; K16-L57 HydrophobicContact CG-CD1 4.31Å |
| 17 | V | 91.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.5 | -41.5 | 177.6 | 173.8 | 0 | 0 | 0 | 0 | 109.6 | A12 D13 P14 L15 Q19 V20 W21 I61 L66 L204 | A12-V17 HydrophobicContact CB-CG2 3.7Å; D13-V17 WeakPolarHBondContact O-CG2 2.7Å; D13-V17 PolarHBondContact O-N 1.72Å; P14-V17 WeakPolarHBondContact O-CB 2.24Å; P14-V17 PolarHBondContact O-N 2.77Å; L15-V17 PolarHBondContact O-N 3.15Å; V17-Q19 PolarHBondContact O-N 3.35Å; V17-V20 WeakPolarHBondContact O-CB 3.15Å; V17-V20 PolarHBondContact O-N 3.31Å; V17-W21 HydrophobicContact CG1-CD2 4.14Å; V17-W21 HydrophobicContact CG1-CG 4.49Å; V17-W21 HydrophobicContact CG1-CZ2 3.87Å; V17-W21 PolarHBondContact O-N 1Å; V17-I61 HydrophobicContact CG2-CD1 4.19Å; V17-I61 HydrophobicContact CG2-CG1 3.95Å; V17-L66 HydrophobicContact CB-CD1 4.26Å; V17-L66 HydrophobicContact CG1-CB 4.14Å; V17-L66 HydrophobicContact CG1-CD1 3.77Å; V17-L66 HydrophobicContact CG1-CG 4.48Å; V17-L66 HydrophobicContact CG2-CD1 3.59Å; V17-L204 HydrophobicContact CB-CD2 4.07Å; V17-L204 HydrophobicContact CG1-CD2 3.6Å |
| 18 | R | 90.7 | Very high | 86.2 | Confident | 60 Ų | 60 | 36.5 Ų | 36.5 | 23% | 0.226 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 179.9 | -166.1 | 174.2 | 152.6 | 160.1 | 0.7 | 110.8 | P14 L15 K16 V20 W21 D22 Y194 L243 | P14-R18 PolarHBondContact O-N 3.41Å; L15-R18 PolarHBondContact O-N 3.03Å; K16-R18 PolarHBondContact O-N 2.87Å; R18-V20 PolarHBondContact O-N 3.48Å; R18-W21 CarbonylContact O-C 3.28Å; R18-W21 WeakPolarHBondContact O-CB 1.28Å; R18-W21 PolarHBondContact O-N 3.05Å; R18-W21 VanDerWaalsContact O-N 3.14Å; R18-D22 WeakPolarHBondContact O-CB 3.24Å; R18-D22 PolarHBondContact O-N 2.55Å; R18-Y194 WeakPolarHBondContact CD-OH 2.41Å; R18-Y194 HydrophobicContact CG-CE1 4.43Å; R18-Y194 HydrophobicContact CG-CE2 4.05Å; R18-Y194 VanDerWaalsContact CG-CZ 3.49Å; R18-Y194 WeakPolarHBondContact CG-OH 2.86Å; R18-L243 PolarHBondContact NH1-O 3.46Å |
| 19 | Q | 89.7 | Confident | 85.5 | Confident | 68 Ų | 68 | 40 Ų | 40 | 32% | 0.318 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.7 | -36.6 | 179.1 | -71.3 | 175.2 | -6.5 | 0 | 0 | 110.7 | L15 K16 V17 W21 D22 A23 L47 | L15-Q19 VanDerWaalsContact O-CG 3.29Å; L15-Q19 WeakPolarHBondContact O-CG 2.44Å; L15-Q19 PolarHBondContact O-N 3.42Å; K16-Q19 PolarHBondContact O-N 3.41Å; V17-Q19 PolarHBondContact O-N 3.35Å; Q19-W21 VanDerWaalsContact C-N 3.34Å; Q19-D22 PolarHBondContact O-N 3.1Å; Q19-A23 WeakPolarHBondContact O-CB 3.01Å; Q19-A23 PolarHBondContact O-N 3.5Å; Q19-L47 HydrophobicContact CB-CD2 4.12Å; Q19-L47 HydrophobicContact CG-CD2 4.1Å |
| 20 | V | 90.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.9 | -41.9 | 177.4 | 172.1 | 0 | 0 | 0 | 0 | 109.5 | K16 V17 R18 D22 A23 F24 L43 L57 L58 I61 I67 | K16-V20 WeakPolarHBondContact O-CG2 1.43Å; K16-V20 PolarHBondContact O-N 2.32Å; V17-V20 WeakPolarHBondContact O-CB 3.15Å; V17-V20 PolarHBondContact O-N 3.31Å; R18-V20 PolarHBondContact O-N 3.48Å; V20-D22 VanDerWaalsContact C-N 3.28Å; V20-D22 PolarHBondContact O-N 2.38Å; V20-A23 VanDerWaalsContact O-CB 3.31Å; V20-A23 WeakPolarHBondContact O-CB 2.68Å; V20-A23 PolarHBondContact O-N 2.82Å; V20-A23 VanDerWaalsContact O-N 3.11Å; V20-F24 HydrophobicContact CG1-CD2 3.88Å; V20-F24 HydrophobicContact CG1-CE2 3.68Å; V20-F24 WeakPolarHBondContact O-CD2 3.21Å; V20-F24 PolarHBondContact O-N 3.3Å; V20-L43 HydrophobicContact CG2-CD1 4.01Å; V20-L43 HydrophobicContact CG2-CD2 3.99Å; V20-L57 HydrophobicContact CG2-CD2 4.08Å; V20-L58 HydrophobicContact CG1-CD2 4.15Å; V20-I61 HydrophobicContact CB-CD1 3.98Å; V20-I61 HydrophobicContact CG1-CD1 4.34Å; V20-I61 HydrophobicContact CG2-CD1 3.43Å; V20-I61 VanDerWaalsContact CG2-CD1 3.43Å; V20-I67 HydrophobicContact CG1-CG2 4.48Å |
| 21 | W | 90.6 | Very high | 83 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 175.7 | -74.9 | 0.3 | 0 | 0 | 0 | 111.3 | V17 R18 Q19 A23 F24 G25 L66 L84 F87 Y194 K200 L204 | V17-W21 HydrophobicContact CG1-CD2 4.14Å; V17-W21 HydrophobicContact CG1-CG 4.49Å; V17-W21 HydrophobicContact CG1-CZ2 3.87Å; V17-W21 PolarHBondContact O-N 1Å; R18-W21 CarbonylContact O-C 3.28Å; R18-W21 WeakPolarHBondContact O-CB 1.28Å; R18-W21 PolarHBondContact O-N 3.05Å; R18-W21 VanDerWaalsContact O-N 3.14Å; Q19-W21 VanDerWaalsContact C-N 3.34Å; W21-A23 PolarHBondContact O-N 3.41Å; W21-F24 WeakPolarHBondContact O-CA 2.99Å; W21-F24 VanDerWaalsContact O-CB 3.22Å; W21-F24 WeakPolarHBondContact O-CB 2.7Å; W21-F24 PolarHBondContact O-N 3.03Å; W21-G25 PolarHBondContact O-N 3.47Å; W21-L66 HydrophobicContact CZ2-CB 4.39Å; W21-L66 HydrophobicContact CZ2-CD2 4.13Å; W21-L66 PolarHBondContact NE1-O 3.3Å; W21-L66 VanDerWaalsContact NE1-O 3.1Å; W21-L84 HydrophobicContact CB-CD2 4.4Å; W21-L84 HydrophobicContact CG-CD2 3.8Å; W21-F87 HydrophobicContact CD2-CZ 4.41Å; W21-F87 HydrophobicContact CH2-CE1 4.05Å; W21-F87 AromaticContact CZ2-CE1 3.98Å; W21-F87 HydrophobicContact CZ2-CE1 3.98Å; W21-F87 HydrophobicContact CZ2-CZ 4.42Å; W21-F87 HydrophobicContact CZ3-CE1 4.46Å; W21-Y194 AromaticContact CE3-CE2 3.89Å; W21-Y194 HydrophobicContact CE3-CE2 3.89Å; W21-Y194 HydrophobicContact CZ3-CE2 4.13Å; W21-K200 HydrophobicContact CE3-CD 4.32Å; W21-K200 HydrophobicContact CE3-CG 4.03Å; W21-K200 HydrophobicContact CH2-CG 4.47Å; W21-K200 HydrophobicContact CZ3-CD 4.45Å; W21-K200 HydrophobicContact CZ3-CG 3.67Å; W21-L204 HydrophobicContact CE3-CD1 4.26Å; W21-L204 HydrophobicContact CH2-CD1 4.04Å; W21-L204 HydrophobicContact CH2-CD2 3.79Å; W21-L204 HydrophobicContact CH2-CG 3.52Å; W21-L204 HydrophobicContact CZ2-CD2 4.21Å; W21-L204 HydrophobicContact CZ2-CG 4.43Å; W21-L204 HydrophobicContact CZ3-CD1 3.6Å; W21-L204 HydrophobicContact CZ3-CD2 4.24Å; W21-L204 HydrophobicContact CZ3-CG 3.65Å |
| 22 | D | 88.2 | Confident | 82.3 | Confident | 72 Ų | 72 | 56.8 Ų | 56.8 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.9 | -34.7 | 178.8 | -71.6 | -15.4 | 0 | 0 | 0 | 110.4 | R18 Q19 V20 F24 G25 V26 Y194 | R18-D22 WeakPolarHBondContact O-CB 3.24Å; R18-D22 PolarHBondContact O-N 2.55Å; Q19-D22 PolarHBondContact O-N 3.1Å; V20-D22 VanDerWaalsContact C-N 3.28Å; V20-D22 PolarHBondContact O-N 2.38Å; D22-F24 PolarHBondContact O-N 3.02Å; D22-G25 PolarHBondContact O-N 2.85Å; D22-V26 VanDerWaalsContact O-CG2 3.28Å; D22-V26 WeakPolarHBondContact O-CG2 2.62Å; D22-V26 PolarHBondContact O-N 2.72Å; D22-Y194 PolarHBondContact OD1-OH 3.48Å |
| 23 | A | 88.8 | Confident | 81.9 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.4 | -34.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q19 V20 W21 G25 V26 L27 I42 L43 | Q19-A23 WeakPolarHBondContact O-CB 3.01Å; Q19-A23 PolarHBondContact O-N 3.5Å; V20-A23 VanDerWaalsContact O-CB 3.31Å; V20-A23 WeakPolarHBondContact O-CB 2.68Å; V20-A23 PolarHBondContact O-N 2.82Å; V20-A23 VanDerWaalsContact O-N 3.11Å; W21-A23 PolarHBondContact O-N 3.41Å; A23-G25 VanDerWaalsContact C-N 3.27Å; A23-V26 PolarHBondContact O-N 3.24Å; A23-L27 WeakPolarHBondContact O-CG 2.67Å; A23-L27 PolarHBondContact O-N 2.73Å; A23-I42 HydrophobicContact CB-CB 4.42Å; A23-I42 HydrophobicContact CB-CG2 3.79Å; A23-L43 HydrophobicContact CB-CD2 3.87Å; A23-L43 HydrophobicContact CB-CG 4.41Å |
| 24 | F | 87.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68 | 0 | 175.7 | -90.7 | -89.9 | 0 | 0 | 0 | 110.8 | V20 W21 D22 V26 L27 K28 V34 I39 Y82 L84 | V20-F24 HydrophobicContact CG1-CD2 3.88Å; V20-F24 HydrophobicContact CG1-CE2 3.68Å; V20-F24 WeakPolarHBondContact O-CD2 3.21Å; V20-F24 PolarHBondContact O-N 3.3Å; W21-F24 WeakPolarHBondContact O-CA 2.99Å; W21-F24 VanDerWaalsContact O-CB 3.22Å; W21-F24 WeakPolarHBondContact O-CB 2.7Å; W21-F24 PolarHBondContact O-N 3.03Å; D22-F24 PolarHBondContact O-N 3.02Å; F24-V26 PolarHBondContact O-N 3.09Å; F24-L27 CarbonylContact O-C 3.6Å; F24-L27 PolarHBondContact O-N 2.67Å; F24-K28 WeakPolarHBondContact O-CB 2.13Å; F24-K28 WeakPolarHBondContact O-CG 2.19Å; F24-K28 PolarHBondContact O-N 2.92Å; F24-V34 HydrophobicContact CD1-CB 4.2Å; F24-V34 HydrophobicContact CD1-CG2 3.7Å; F24-V34 HydrophobicContact CE1-CB 3.8Å; F24-V34 HydrophobicContact CE1-CG2 3.81Å; F24-I39 HydrophobicContact CD1-CD1 4.06Å; F24-I39 HydrophobicContact CD2-CD1 4.25Å; F24-I39 HydrophobicContact CE1-CD1 3.21Å; F24-I39 HydrophobicContact CE1-CG1 4.31Å; F24-I39 HydrophobicContact CE2-CD1 3.44Å; F24-I39 VanDerWaalsContact CE2-CD1 3.44Å; F24-I39 HydrophobicContact CE2-CG1 4.31Å; F24-I39 HydrophobicContact CE2-CG2 4.32Å; F24-I39 HydrophobicContact CZ-CD1 2.84Å; F24-I39 HydrophobicContact CZ-CG1 4.07Å; F24-Y82 WeakPolarHBondContact CE1-O 3.47Å; F24-Y82 HydrophobicContact CZ-CG 4.49Å; F24-L84 HydrophobicContact CB-CD1 3.63Å; F24-L84 HydrophobicContact CB-CD2 4.17Å; F24-L84 HydrophobicContact CB-CG 3.84Å; F24-L84 HydrophobicContact CD1-CG 4Å; F24-L84 HydrophobicContact CD2-CD2 3.95Å; F24-L84 HydrophobicContact CD2-CG 4.29Å; F24-L84 HydrophobicContact CE2-CD2 4.5Å; F24-L84 HydrophobicContact CG-CD1 4.2Å; F24-L84 HydrophobicContact CG-CD2 3.98Å; F24-L84 HydrophobicContact CG-CG 3.8Å |
| 25 | G | 84.1 | Confident | 81.4 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 50% | 0.495 | 30% | 0.299 | S | S | . | . | H | α-helix | 0 | -32.8 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | W21 D22 A23 L27 K28 | W21-G25 PolarHBondContact O-N 3.47Å; D22-G25 PolarHBondContact O-N 2.85Å; A23-G25 VanDerWaalsContact C-N 3.27Å; G25-L27 PolarHBondContact O-N 3.17Å; G25-K28 PolarHBondContact O-N 2.76Å | |
| 26 | V | 83.3 | Confident | 81.1 | Confident | 106 Ų | 106 | 54.5 Ų | 54.5 | 64% | 0.642 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -76 | -21.7 | -179.1 | 175.7 | 0 | 0 | 0 | 0 | 109.3 | D22 A23 F24 | D22-V26 VanDerWaalsContact O-CG2 3.28Å; D22-V26 WeakPolarHBondContact O-CG2 2.62Å; D22-V26 PolarHBondContact O-N 2.72Å; A23-V26 PolarHBondContact O-N 3.24Å; F24-V26 PolarHBondContact O-N 3.09Å |
| 27 | L | 79.6 | Confident | 80.9 | Confident | 39 Ų | 39 | 55.7 Ų | 55.7 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -99 | 0 | -174.3 | -72 | 171.5 | 0 | 0 | 0 | 110.4 | A23 F24 G25 S29 N30 V34 K38 I39 I42 | A23-L27 WeakPolarHBondContact O-CG 2.67Å; A23-L27 PolarHBondContact O-N 2.73Å; F24-L27 CarbonylContact O-C 3.6Å; F24-L27 PolarHBondContact O-N 2.67Å; G25-L27 PolarHBondContact O-N 3.17Å; L27-S29 PolarHBondContact O-N 3.02Å; L27-N30 PolarHBondContact O-N 2.99Å; L27-V34 HydrophobicContact CB-CG1 4.32Å; L27-V34 HydrophobicContact CB-CG2 3.93Å; L27-V34 HydrophobicContact CD1-CB 4.19Å; L27-V34 HydrophobicContact CD1-CG1 3.17Å; L27-V34 HydrophobicContact CD1-CG2 4.16Å; L27-V34 HydrophobicContact CG-CG1 4.28Å; L27-K38 HydrophobicContact CD1-CB 4.49Å; L27-I39 HydrophobicContact CD1-CB 4.42Å; L27-I39 HydrophobicContact CD1-CG1 3.55Å; L27-I42 HydrophobicContact CD1-CD1 3.27Å; L27-I42 HydrophobicContact CD2-CD1 3.05Å; L27-I42 HydrophobicContact CD2-CG1 4.32Å; L27-I42 HydrophobicContact CG-CD1 3.03Å |
| 28 | K | 66.9 | Low | 80.6 | Confident | 93 Ų | 93 | 61 Ų | 61 | 40% | 0.404 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -82.9 | -172.7 | -179.5 | 179.8 | 0 | 110.4 | F24 G25 N30 L84 | F24-K28 WeakPolarHBondContact O-CB 2.13Å; F24-K28 WeakPolarHBondContact O-CG 2.19Å; F24-K28 PolarHBondContact O-N 2.92Å; G25-K28 PolarHBondContact O-N 2.76Å; K28-N30 PolarHBondContact O-N 2.4Å; K28-L84 HydrophobicContact CD-CD1 4.22Å | |
| 29 | S | 56.4 | Low | 80.5 | Confident | 98 Ų | 98 | 58.1 Ų | 58.1 | 69% | 0.685 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 52.3 | 0 | 0 | 0 | 0 | 110.7 | L27 | L27-S29 PolarHBondContact O-N 3.02Š| |
| 30 | N | 55.1 | Low | 80.4 | Confident | 139 Ų | 139 | 55.6 Ų | 55.6 | 74% | 0.743 | 30% | 0.304 | S | S | * | . | S | Bend | 0 | 0 | 0 | -103.1 | 21.2 | 0 | 0 | 0 | 109.9 | L27 K28 | L27-N30 PolarHBondContact O-N 2.99Å; K28-N30 PolarHBondContact O-N 2.4Å | |
| 31 | R | 61 | Low | 80.3 | Confident | 164 Ų | 164 | 62 Ų | 62 | 62% | 0.619 | 33% | 0.331 | S | S | * | . | 0 | 134.3 | 0 | -72.7 | -167.6 | -173.2 | -153.3 | -0.5 | 109.3 | A33 | R31-A33 PolarHBondContact O-N 2.63Š| |||
| 32 | L | 72 | Confident | 80.1 | Confident | 140 Ų | 140 | 63.6 Ų | 63.6 | 73% | 0.733 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -66.1 | 0 | 177.9 | -74.6 | 169.8 | 0 | 0 | 0 | 110.6 | Q83 | L32-Q83 VanDerWaalsContact CB-NE2 3.34Å; L32-Q83 WeakPolarHBondContact O-CB 3.39Å; L32-Q83 WeakPolarHBondContact O-CG 3.44Å |
| 33 | A | 81.8 | Confident | 80.2 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 129.8 | 0 | 0 | 0 | 0 | 0 | 0 | 110.1 | R31 I70 R81 Y82 Q83 | R31-A33 PolarHBondContact O-N 2.63Å; A33-I70 HydrophobicContact CB-CD1 3.71Å; A33-R81 HydrophobicContact CB-CB 4.1Å; A33-Y82 CarbonylContact C-O 3.13Å; A33-Y82 WeakPolarHBondContact CA-O 3.41Å; A33-Q83 HydrophobicContact CB-CB 4.27Å | |
| 34 | V | 84.4 | Confident | 80.2 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 0 | -173.8 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | F24 L27 K38 I39 R81 Y82 | F24-V34 HydrophobicContact CD1-CB 4.2Å; F24-V34 HydrophobicContact CD1-CG2 3.7Å; F24-V34 HydrophobicContact CE1-CB 3.8Å; F24-V34 HydrophobicContact CE1-CG2 3.81Å; L27-V34 HydrophobicContact CB-CG1 4.32Å; L27-V34 HydrophobicContact CB-CG2 3.93Å; L27-V34 HydrophobicContact CD1-CB 4.19Å; L27-V34 HydrophobicContact CD1-CG1 3.17Å; L27-V34 HydrophobicContact CD1-CG2 4.16Å; L27-V34 HydrophobicContact CG-CG1 4.28Å; V34-K38 HydrophobicContact CG1-CB 3.88Å; V34-I39 HydrophobicContact CB-CD1 3.26Å; V34-I39 HydrophobicContact CB-CG1 3.51Å; V34-I39 HydrophobicContact CG1-CB 4.25Å; V34-I39 HydrophobicContact CG1-CD1 3.4Å; V34-I39 VanDerWaalsContact CG1-CD1 3.4Å; V34-I39 HydrophobicContact CG1-CG1 2.95Å; V34-I39 HydrophobicContact CG2-CD1 4.31Å; V34-I39 HydrophobicContact CG2-CG1 4.47Å; V34-R81 CarbonylContact O-C 3.59Å; V34-R81 VanDerWaalsContact O-CA 3.25Å; V34-R81 WeakPolarHBondContact O-CA 3.21Å; V34-Y82 PolarHBondContact N-O 3.28Å; V34-Y82 PolarHBondContact O-N 0.95Å |
| 35 | P | 85.3 | Confident | 80.2 | Confident | 19 Ų | 19 | 72 Ų | 72 | 12% | 0.123 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 142.9 | 0 | -19.9 | 27.8 | 0 | 0 | 0 | 111.9 | D37 K38 I39 V80 | P35-D37 PolarHBondContact O-N 2.15Å; P35-D37 VanDerWaalsContact O-N 3.09Å; P35-K38 HydrophobicContact CB-CG 4.4Å; P35-K38 HydrophobicContact CG-CD 3.99Å; P35-K38 HydrophobicContact CG-CG 4.35Å; P35-K38 PolarHBondContact O-N 3.48Å; P35-I39 PolarHBondContact O-N 3.22Å; P35-V80 CarbonylContact C-O 3.57Å | |
| 36 | A | 85.4 | Confident | 80.2 | Confident | 16 Ų | 16 | 73.7 Ų | 73.7 | 13% | 0.132 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.8 | -30.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | K38 S40 V80 Y82 | A36-K38 VanDerWaalsContact C-N 3.31Å; A36-K38 PolarHBondContact O-N 3.32Å; A36-S40 WeakPolarHBondContact O-CB 2.98Å; A36-S40 PolarHBondContact O-N 2.94Å; A36-S40 PolarHBondContact O-OG 3.42Å; A36-V80 HydrophobicContact CB-CB 4.2Å; A36-V80 WeakPolarHBondContact CB-O 3.47Å; A36-V80 PolarHBondContact N-O 3.24Å; A36-Y82 HydrophobicContact CB-CD2 3.96Å; A36-Y82 HydrophobicContact CB-CE2 3.48Å; A36-Y82 VanDerWaalsContact CB-CE2 3.48Å |
| 37 | D | 84.9 | Confident | 80.2 | Confident | 87 Ų | 87 | 69.9 Ų | 69.9 | 47% | 0.465 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71.7 | -36.5 | -177 | -67.5 | -28 | 0 | 0 | 0 | 111.1 | P35 I39 S40 K41 M79 | P35-D37 PolarHBondContact O-N 2.15Å; P35-D37 VanDerWaalsContact O-N 3.09Å; D37-I39 VanDerWaalsContact C-N 3.34Å; D37-S40 PolarHBondContact O-N 3.27Å; D37-K41 WeakPolarHBondContact O-CB 3.38Å; D37-K41 PolarHBondContact O-N 3.3Å; D37-M79 HydrophobicContact CB-CE 3.62Å; D37-M79 WeakPolarHBondContact OD2-CE 3.08Å |
| 38 | K | 86.4 | Confident | 80.5 | Confident | 111 Ų | 111 | 71.4 Ų | 71.4 | 48% | 0.483 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.3 | -40.2 | -178.5 | -74.5 | -173.2 | -176.2 | 179 | 0 | 110.9 | L27 V34 P35 A36 S40 K41 I42 | L27-K38 HydrophobicContact CD1-CB 4.49Å; V34-K38 HydrophobicContact CG1-CB 3.88Å; P35-K38 HydrophobicContact CB-CG 4.4Å; P35-K38 HydrophobicContact CG-CD 3.99Å; P35-K38 HydrophobicContact CG-CG 4.35Å; P35-K38 PolarHBondContact O-N 3.48Å; A36-K38 VanDerWaalsContact C-N 3.31Å; A36-K38 PolarHBondContact O-N 3.32Å; K38-S40 VanDerWaalsContact C-N 3.26Å; K38-K41 PolarHBondContact O-N 3.48Å; K38-I42 WeakPolarHBondContact O-CG1 2.93Å; K38-I42 PolarHBondContact O-N 3Å |
| 39 | I | 87.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.6 | -40.8 | 179.9 | -71.3 | 170.1 | 0 | 0 | 0 | 109 | F24 L27 V34 P35 D37 K41 I42 L43 Y82 | F24-I39 HydrophobicContact CD1-CD1 4.06Å; F24-I39 HydrophobicContact CD2-CD1 4.25Å; F24-I39 HydrophobicContact CE1-CD1 3.21Å; F24-I39 HydrophobicContact CE1-CG1 4.31Å; F24-I39 HydrophobicContact CE2-CD1 3.44Å; F24-I39 VanDerWaalsContact CE2-CD1 3.44Å; F24-I39 HydrophobicContact CE2-CG1 4.31Å; F24-I39 HydrophobicContact CE2-CG2 4.32Å; F24-I39 HydrophobicContact CZ-CD1 2.84Å; F24-I39 HydrophobicContact CZ-CG1 4.07Å; L27-I39 HydrophobicContact CD1-CB 4.42Å; L27-I39 HydrophobicContact CD1-CG1 3.55Å; V34-I39 HydrophobicContact CB-CD1 3.26Å; V34-I39 HydrophobicContact CB-CG1 3.51Å; V34-I39 HydrophobicContact CG1-CB 4.25Å; V34-I39 HydrophobicContact CG1-CD1 3.4Å; V34-I39 VanDerWaalsContact CG1-CD1 3.4Å; V34-I39 HydrophobicContact CG1-CG1 2.95Å; V34-I39 HydrophobicContact CG2-CD1 4.31Å; V34-I39 HydrophobicContact CG2-CG1 4.47Å; P35-I39 PolarHBondContact O-N 3.22Å; D37-I39 VanDerWaalsContact C-N 3.34Å; I39-K41 PolarHBondContact O-N 3.28Å; I39-I42 PolarHBondContact O-N 2.99Å; I39-L43 HydrophobicContact CG2-CD1 3.55Å; I39-L43 HydrophobicContact CG2-CG 3.98Å; I39-L43 WeakPolarHBondContact O-CB 3.47Å; I39-L43 WeakPolarHBondContact O-CG 3.5Å; I39-L43 PolarHBondContact O-N 3.35Å; I39-Y82 HydrophobicContact CD1-CD2 4.23Å; I39-Y82 HydrophobicContact CD1-CG 4.43Å |
| 40 | S | 89 | Confident | 82.9 | Confident | 15 Ų | 15 | 71 Ų | 71 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.5 | -34.7 | 178.2 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | A36 D37 K38 I42 L43 R44 | A36-S40 WeakPolarHBondContact O-CB 2.98Å; A36-S40 PolarHBondContact O-N 2.94Å; A36-S40 PolarHBondContact O-OG 3.42Å; D37-S40 PolarHBondContact O-N 3.27Å; K38-S40 VanDerWaalsContact C-N 3.26Å; S40-I42 VanDerWaalsContact C-N 3.34Å; S40-L43 PolarHBondContact O-N 3.11Å; S40-R44 VanDerWaalsContact O-CB 3.25Å; S40-R44 WeakPolarHBondContact O-CB 3.39Å; S40-R44 PolarHBondContact O-N 2.91Å |
| 41 | K | 87.7 | Confident | 84.4 | Confident | 134 Ų | 134 | 67 Ų | 67 | 58% | 0.583 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.1 | -41.1 | 178.7 | -169.7 | 174.4 | 179.3 | 175.8 | 0 | 111.2 | D37 K38 I39 L43 R44 K45 | D37-K41 WeakPolarHBondContact O-CB 3.38Å; D37-K41 PolarHBondContact O-N 3.3Å; K38-K41 PolarHBondContact O-N 3.48Å; I39-K41 PolarHBondContact O-N 3.28Å; K41-L43 VanDerWaalsContact C-N 3.26Å; K41-L43 PolarHBondContact O-N 3.03Å; K41-R44 WeakPolarHBondContact O-CB 2.1Å; K41-R44 PolarHBondContact O-N 3.39Å; K41-K45 PolarHBondContact O-N 3.42Å |
| 42 | I | 87.7 | Confident | 85.7 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.3 | -37.2 | -179.9 | -67.6 | 174.6 | 0 | 0 | 0 | 109.2 | A23 L27 K38 I39 S40 R44 K45 T46 | A23-I42 HydrophobicContact CB-CB 4.42Å; A23-I42 HydrophobicContact CB-CG2 3.79Å; L27-I42 HydrophobicContact CD1-CD1 3.27Å; L27-I42 HydrophobicContact CD2-CD1 3.05Å; L27-I42 HydrophobicContact CD2-CG1 4.32Å; L27-I42 HydrophobicContact CG-CD1 3.03Å; K38-I42 WeakPolarHBondContact O-CG1 2.93Å; K38-I42 PolarHBondContact O-N 3Å; I39-I42 PolarHBondContact O-N 2.99Å; S40-I42 VanDerWaalsContact C-N 3.34Å; I42-R44 PolarHBondContact O-N 2.86Å; I42-K45 WeakPolarHBondContact O-CB 3.01Å; I42-K45 PolarHBondContact O-N 3.11Å; I42-T46 WeakPolarHBondContact O-CB 3.43Å; I42-T46 PolarHBondContact O-N 2.88Å; I42-T46 PolarHBondContact O-OG1 3.27Å |
| 43 | L | 88.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -73 | -30.6 | -177.5 | -71.8 | 177.8 | 0 | 0 | 0 | 110.4 | V20 A23 I39 S40 K41 K45 T46 L47 I54 L58 | V20-L43 HydrophobicContact CG2-CD1 4.01Å; V20-L43 HydrophobicContact CG2-CD2 3.99Å; A23-L43 HydrophobicContact CB-CD2 3.87Å; A23-L43 HydrophobicContact CB-CG 4.41Å; I39-L43 HydrophobicContact CG2-CD1 3.55Å; I39-L43 HydrophobicContact CG2-CG 3.98Å; I39-L43 WeakPolarHBondContact O-CB 3.47Å; I39-L43 WeakPolarHBondContact O-CG 3.5Å; I39-L43 PolarHBondContact O-N 3.35Å; S40-L43 PolarHBondContact O-N 3.11Å; K41-L43 VanDerWaalsContact C-N 3.26Å; K41-L43 PolarHBondContact O-N 3.03Å; L43-K45 PolarHBondContact O-N 3.44Å; L43-T46 PolarHBondContact O-N 3.43Å; L43-L47 HydrophobicContact CB-CD1 4.49Å; L43-L47 HydrophobicContact CD2-CD1 3.91Å; L43-L47 WeakPolarHBondContact O-CA 3.36Å; L43-L47 WeakPolarHBondContact O-CB 3.15Å; L43-L47 PolarHBondContact O-N 3.05Å; L43-I54 HydrophobicContact CB-CD1 4.16Å; L43-I54 HydrophobicContact CB-CG2 4.29Å; L43-I54 HydrophobicContact CD1-CG2 3.91Å; L43-L58 HydrophobicContact CD1-CD2 4.18Å |
| 44 | R | 89.5 | Confident | 86.9 | Confident | 94 Ų | 94 | 61.5 Ų | 61.5 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.3 | -34.6 | 174.4 | -166.8 | -179.7 | -54.3 | -98 | 0.1 | 111.3 | S40 K41 I42 D48 D51 I54 | S40-R44 VanDerWaalsContact O-CB 3.25Å; S40-R44 WeakPolarHBondContact O-CB 3.39Å; S40-R44 PolarHBondContact O-N 2.91Å; K41-R44 WeakPolarHBondContact O-CB 2.1Å; K41-R44 PolarHBondContact O-N 3.39Å; I42-R44 PolarHBondContact O-N 2.86Å; R44-D48 WeakPolarHBondContact O-CA 3.25Å; R44-D48 PolarHBondContact O-N 2.63Å; R44-D51 IonicContact CZ-OD1 3.83Å; R44-D51 IonicContact CZ-OD2 3.29Å; R44-D51 IonicContact NE-OD1 2.73Å; R44-D51 PolarHBondContact NE-OD1 3.39Å; R44-D51 IonicContact NE-OD2 3.75Å; R44-D51 IonicContact NH1-OD1 3.79Å; R44-D51 PolarHBondContact NH1-OD1 3.44Å; R44-D51 IonicContact NH1-OD2 2.77Å; R44-D51 PolarHBondContact NH1-OD2 3.27Å; R44-D51 CovalentContact NH2-OD1 0.95Å; R44-D51 IonicContact NH2-OD1 2.35Å; R44-D51 PolarHBondContact NH2-OD1 2.8Å; R44-D51 IonicContact NH2-OD2 3.79Å; R44-D51 PolarHBondContact NH2-OD2 2.84Å; R44-I54 HydrophobicContact CB-CD1 3.92Å; R44-I54 HydrophobicContact CG-CD1 4.49Å |
| 45 | K | 86.3 | Confident | 87.2 | Confident | 157 Ų | 157 | 67.9 Ų | 67.9 | 68% | 0.683 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -79.5 | -32.1 | -179.1 | -75.2 | -177.5 | -176.3 | 175.7 | 0 | 110.7 | K41 I42 L43 | K41-K45 PolarHBondContact O-N 3.42Å; I42-K45 WeakPolarHBondContact O-CB 3.01Å; I42-K45 PolarHBondContact O-N 3.11Å; L43-K45 PolarHBondContact O-N 3.44Å |
| 46 | T | 85.7 | Confident | 87.4 | Confident | 84 Ų | 84 | 71.7 Ų | 71.7 | 52% | 0.515 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -89.8 | 0 | -171.2 | -54.8 | 0 | 0 | 0 | 0 | 109.6 | I42 L43 | I42-T46 WeakPolarHBondContact O-CB 3.43Å; I42-T46 PolarHBondContact O-N 2.88Å; I42-T46 PolarHBondContact O-OG1 3.27Å; L43-T46 PolarHBondContact O-N 3.43Å |
| 47 | L | 82.5 | Confident | 87.7 | Confident | 26 Ų | 26 | 71.2 Ų | 71.2 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | H | α-helix | 0 | 7.8 | 0 | -68.5 | 175.1 | 0 | 0 | 0 | 110.2 | Q19 L43 L49 L57 | Q19-L47 HydrophobicContact CB-CD2 4.12Å; Q19-L47 HydrophobicContact CG-CD2 4.1Å; L43-L47 HydrophobicContact CB-CD1 4.49Å; L43-L47 HydrophobicContact CD2-CD1 3.91Å; L43-L47 WeakPolarHBondContact O-CA 3.36Å; L43-L47 WeakPolarHBondContact O-CB 3.15Å; L43-L47 PolarHBondContact O-N 3.05Å; L47-L49 HydrophobicContact CB-CB 4.42Å; L47-L49 HydrophobicContact CB-CD1 3.73Å; L47-L49 HydrophobicContact CB-CG 3.69Å; L47-L49 HydrophobicContact CD1-CD1 3.97Å; L47-L49 HydrophobicContact CG-CD1 4.47Å; L47-L49 VanDerWaalsContact O-CG 3.29Å; L47-L49 WeakPolarHBondContact O-CG 3.19Å; L47-L49 PolarHBondContact O-N 3.08Å; L47-L57 HydrophobicContact CD1-CD2 3.77Å | |
| 48 | D | 85.5 | Confident | 87.9 | Confident | 72 Ų | 72 | 67.1 Ų | 67.1 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | trans | 39.8 | 38.5 | -179.2 | -73.6 | -24.8 | 0 | 0 | 0 | 111.4 | R44 Q604 | R44-D48 WeakPolarHBondContact O-CA 3.25Å; R44-D48 PolarHBondContact O-N 2.63Å; D48-Q604 HydrophobicContact CB-CG 3.85Å; D48-Q604 CovalentContact CG-NE2 1.58Å; D48-Q604 PolarHBondContact OD1-NE2 3.32Å; D48-Q604 WeakPolarHBondContact OD2-CG 3.47Å; D48-Q604 CovalentContact OD2-NE2 1.38Å; D48-Q604 PolarHBondContact OD2-NE2 3.3Å; D48-Q604 PolarHBondContact OD2-OE1 2.85Å | ||
| 49 | L | 86.5 | Confident | 88.1 | Confident | 31 Ų | 31 | 64.6 Ų | 64.6 | 16% | 0.162 | 31% | 0.307 | C | S | . | . | trans | -103.5 | 0 | 178.7 | -63.8 | 176 | 0 | 0 | 0 | 109.9 | L47 Q53 I54 L57 | L47-L49 HydrophobicContact CB-CB 4.42Å; L47-L49 HydrophobicContact CB-CD1 3.73Å; L47-L49 HydrophobicContact CB-CG 3.69Å; L47-L49 HydrophobicContact CD1-CD1 3.97Å; L47-L49 HydrophobicContact CG-CD1 4.47Å; L47-L49 VanDerWaalsContact O-CG 3.29Å; L47-L49 WeakPolarHBondContact O-CG 3.19Å; L47-L49 PolarHBondContact O-N 3.08Å; L49-Q53 HydrophobicContact CB-CB 4.03Å; L49-I54 HydrophobicContact CB-CD1 4.45Å; L49-I54 HydrophobicContact CB-CG1 3.74Å; L49-L57 HydrophobicContact CD1-CD2 4.33Å | ||
| 50 | K | 88.3 | Confident | 88.2 | Confident | 152 Ų | 152 | 67.2 Ų | 67.2 | 66% | 0.661 | 32% | 0.319 | S | S | * | . | 0 | 152.8 | 0 | -67.4 | -177.4 | -178.7 | 173.5 | 0 | 110.6 | D52 Q53 I54 | K50-D52 PolarHBondContact O-N 3.46Å; K50-Q53 HydrophobicContact CB-CG 4.46Å; K50-Q53 WeakPolarHBondContact O-CB 3.5Å; K50-Q53 PolarHBondContact O-N 2.96Å; K50-I54 WeakPolarHBondContact O-CG1 3.4Å; K50-I54 PolarHBondContact O-N 2.51Å | |||
| 51 | D | 86.2 | Confident | 88.3 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -53 | -33.4 | -175.1 | -78.1 | -19.9 | 0 | 0 | 0 | 110.6 | R44 Q53 I54 R55 | R44-D51 IonicContact CZ-OD1 3.83Å; R44-D51 IonicContact CZ-OD2 3.29Å; R44-D51 IonicContact NE-OD1 2.73Å; R44-D51 PolarHBondContact NE-OD1 3.39Å; R44-D51 IonicContact NE-OD2 3.75Å; R44-D51 IonicContact NH1-OD1 3.79Å; R44-D51 PolarHBondContact NH1-OD1 3.44Å; R44-D51 IonicContact NH1-OD2 2.77Å; R44-D51 PolarHBondContact NH1-OD2 3.27Å; R44-D51 CovalentContact NH2-OD1 0.95Å; R44-D51 IonicContact NH2-OD1 2.35Å; R44-D51 PolarHBondContact NH2-OD1 2.8Å; R44-D51 IonicContact NH2-OD2 3.79Å; R44-D51 PolarHBondContact NH2-OD2 2.84Å; D51-Q53 VanDerWaalsContact C-N 3.27Å; D51-Q53 PolarHBondContact O-N 2.96Å; D51-I54 PolarHBondContact O-N 2.31Å; D51-R55 WeakPolarHBondContact O-CG 3.15Å; D51-R55 PolarHBondContact O-N 3.39Å |
| 52 | D | 88.1 | Confident | 88.4 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 57% | 0.572 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -69.2 | -35.9 | 179.8 | -70.6 | -22.4 | 0 | 0 | 0 | 110.9 | K50 I54 R55 L56 | K50-D52 PolarHBondContact O-N 3.46Å; D52-I54 VanDerWaalsContact C-N 3.31Å; D52-R55 PolarHBondContact O-N 3.27Å; D52-R55 IonicContact OD1-NH1 2.75Å; D52-L56 WeakPolarHBondContact O-CG 3.28Å; D52-L56 PolarHBondContact O-N 3.3Å; D52-L56 VanDerWaalsContact O-N 3.07Å |
| 53 | Q | 89.9 | Confident | 88.2 | Confident | 92 Ų | 92 | 62.5 Ų | 62.5 | 43% | 0.43 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.7 | -37.2 | 179 | -68.4 | 179.6 | 49.9 | 0 | 0 | 111.1 | L49 K50 D51 R55 L56 L57 | L49-Q53 HydrophobicContact CB-CB 4.03Å; K50-Q53 HydrophobicContact CB-CG 4.46Å; K50-Q53 WeakPolarHBondContact O-CB 3.5Å; K50-Q53 PolarHBondContact O-N 2.96Å; D51-Q53 VanDerWaalsContact C-N 3.27Å; D51-Q53 PolarHBondContact O-N 2.96Å; Q53-R55 PolarHBondContact O-N 2.8Å; Q53-L56 PolarHBondContact O-N 3.01Å; Q53-L57 WeakPolarHBondContact O-CB 3.31Å; Q53-L57 PolarHBondContact O-N 2.71Å |
| 54 | I | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 179.3 | -68.5 | 174.6 | 0 | 0 | 0 | 109.2 | L43 R44 L49 K50 D51 D52 L56 L57 L58 | L43-I54 HydrophobicContact CB-CD1 4.16Å; L43-I54 HydrophobicContact CB-CG2 4.29Å; L43-I54 HydrophobicContact CD1-CG2 3.91Å; R44-I54 HydrophobicContact CB-CD1 3.92Å; R44-I54 HydrophobicContact CG-CD1 4.49Å; L49-I54 HydrophobicContact CB-CD1 4.45Å; L49-I54 HydrophobicContact CB-CG1 3.74Å; K50-I54 WeakPolarHBondContact O-CG1 3.4Å; K50-I54 PolarHBondContact O-N 2.51Å; D51-I54 PolarHBondContact O-N 2.31Å; D52-I54 VanDerWaalsContact C-N 3.31Å; I54-L56 VanDerWaalsContact C-N 3.29Å; I54-L56 PolarHBondContact O-N 2.9Å; I54-L57 WeakPolarHBondContact O-CB 3.44Å; I54-L57 PolarHBondContact O-N 3.36Å; I54-L58 HydrophobicContact CG2-CD1 4.14Å; I54-L58 HydrophobicContact CG2-CG 4.35Å; I54-L58 WeakPolarHBondContact O-CG 2.33Å; I54-L58 PolarHBondContact O-N 2.76Å |
| 55 | R | 89.2 | Confident | 87.9 | Confident | 140 Ų | 140 | 60.6 Ų | 60.6 | 53% | 0.528 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 179 | -74.8 | -176.5 | 172.3 | 124.4 | 0.3 | 110.3 | D51 D52 Q53 L57 L58 D59 | D51-R55 WeakPolarHBondContact O-CG 3.15Å; D51-R55 PolarHBondContact O-N 3.39Å; D52-R55 PolarHBondContact O-N 3.27Å; D52-R55 IonicContact OD1-NH1 2.75Å; Q53-R55 PolarHBondContact O-N 2.8Å; R55-L57 PolarHBondContact O-N 2.02Å; R55-L58 PolarHBondContact O-N 3.34Å; R55-D59 PolarHBondContact O-N 3.46Å |
| 56 | L | 90.3 | Very high | 88 | Confident | 99 Ų | 99 | 53.1 Ų | 53.1 | 52% | 0.518 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 178.4 | -73.5 | 173.5 | 0 | 0 | 0 | 111.2 | D52 Q53 I54 L58 D59 E60 | D52-L56 WeakPolarHBondContact O-CG 3.28Å; D52-L56 PolarHBondContact O-N 3.3Å; D52-L56 VanDerWaalsContact O-N 3.07Å; Q53-L56 PolarHBondContact O-N 3.01Å; I54-L56 VanDerWaalsContact C-N 3.29Å; I54-L56 PolarHBondContact O-N 2.9Å; L56-L58 VanDerWaalsContact C-N 3.32Å; L56-D59 WeakPolarHBondContact O-CB 3.37Å; L56-D59 PolarHBondContact O-N 3.4Å; L56-E60 WeakPolarHBondContact O-CG 3.14Å; L56-E60 PolarHBondContact O-N 2.87Å |
| 57 | L | 90.9 | Very high | 88.2 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 177.1 | 174.3 | 65.8 | 0 | 0 | 0 | 111.1 | K16 V20 L47 L49 Q53 I54 R55 D59 E60 I61 | K16-L57 HydrophobicContact CB-CD1 3.73Å; K16-L57 HydrophobicContact CB-CD2 4.28Å; K16-L57 HydrophobicContact CD-CD1 3.57Å; K16-L57 HydrophobicContact CD-CD2 4.41Å; K16-L57 HydrophobicContact CG-CD1 4.31Å; V20-L57 HydrophobicContact CG2-CD2 4.08Å; L47-L57 HydrophobicContact CD1-CD2 3.77Å; L49-L57 HydrophobicContact CD1-CD2 4.33Å; Q53-L57 WeakPolarHBondContact O-CB 3.31Å; Q53-L57 PolarHBondContact O-N 2.71Å; I54-L57 WeakPolarHBondContact O-CB 3.44Å; I54-L57 PolarHBondContact O-N 3.36Å; R55-L57 PolarHBondContact O-N 2.02Å; L57-D59 PolarHBondContact O-N 3.35Å; L57-E60 WeakPolarHBondContact O-CB 3.34Å; L57-E60 PolarHBondContact O-N 0.95Å; L57-E60 VanDerWaalsContact O-N 3.14Å; L57-I61 HydrophobicContact CD1-CD1 4.03Å; L57-I61 HydrophobicContact CD1-CG1 4.2Å; L57-I61 HydrophobicContact CG-CD1 3.86Å; L57-I61 HydrophobicContact CG-CG1 4.37Å; L57-I61 WeakPolarHBondContact O-CG1 2.55Å; L57-I61 PolarHBondContact O-N 2.37Å |
| 58 | L | 90.9 | Very high | 88.4 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -32.3 | -179.8 | -72.8 | 176.5 | 0 | 0 | 0 | 110.3 | V20 L43 I54 R55 L56 I61 E62 I67 Y82 | V20-L58 HydrophobicContact CG1-CD2 4.15Å; L43-L58 HydrophobicContact CD1-CD2 4.18Å; I54-L58 HydrophobicContact CG2-CD1 4.14Å; I54-L58 HydrophobicContact CG2-CG 4.35Å; I54-L58 WeakPolarHBondContact O-CG 2.33Å; I54-L58 PolarHBondContact O-N 2.76Å; R55-L58 PolarHBondContact O-N 3.34Å; L56-L58 VanDerWaalsContact C-N 3.32Å; L58-I61 PolarHBondContact O-N 2.93Å; L58-E62 WeakPolarHBondContact O-CB 3.22Å; L58-E62 PolarHBondContact O-N 2.83Å; L58-I67 HydrophobicContact CB-CD1 4.31Å; L58-I67 HydrophobicContact CD2-CD1 3.94Å; L58-I67 VanDerWaalsContact O-CD1 3.28Å; L58-I67 WeakPolarHBondContact O-CD1 2.82Å; L58-Y82 HydrophobicContact CB-CE1 4.44Å; L58-Y82 HydrophobicContact CD1-CD2 4.27Å; L58-Y82 HydrophobicContact CD1-CE2 3.65Å |
| 59 | D | 89.5 | Confident | 88.5 | Confident | 57 Ų | 57 | 52.8 Ų | 52.8 | 31% | 0.305 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.7 | -41.1 | 177.6 | -76 | -13.1 | 0 | 0 | 0 | 110.5 | R55 L56 L57 I61 E62 G63 | R55-D59 PolarHBondContact O-N 3.46Å; L56-D59 WeakPolarHBondContact O-CB 3.37Å; L56-D59 PolarHBondContact O-N 3.4Å; L57-D59 PolarHBondContact O-N 3.35Å; D59-I61 VanDerWaalsContact C-N 3.29Å; D59-E62 PolarHBondContact O-N 3.29Å; D59-G63 PolarHBondContact O-N 3.48Å |
| 60 | E | 89.8 | Confident | 88.4 | Confident | 56 Ų | 56 | 54 Ų | 54 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 178 | -70.6 | 172.8 | 178.6 | 0 | 0 | 111.5 | Y3 A12 L56 L57 E62 G63 D64 | Y3-E60 HydrophobicContact CE1-CG 4.39Å; A12-E60 HydrophobicContact CB-CB 4.31Å; L56-E60 WeakPolarHBondContact O-CG 3.14Å; L56-E60 PolarHBondContact O-N 2.87Å; L57-E60 WeakPolarHBondContact O-CB 3.34Å; L57-E60 PolarHBondContact O-N 0.95Å; L57-E60 VanDerWaalsContact O-N 3.14Å; E60-E62 PolarHBondContact O-N 3.35Å; E60-G63 PolarHBondContact O-N 3.25Å; E60-D64 PolarHBondContact O-N 3.38Å |
| 61 | I | 91.2 | Very high | 88 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.8 | -38.6 | -178.7 | -65.3 | 178 | 0 | 0 | 0 | 109.7 | A12 V17 V20 L57 L58 D59 G63 D64 G65 L66 I67 | A12-I61 HydrophobicContact CB-CG1 3.77Å; V17-I61 HydrophobicContact CG2-CD1 4.19Å; V17-I61 HydrophobicContact CG2-CG1 3.95Å; V20-I61 HydrophobicContact CB-CD1 3.98Å; V20-I61 HydrophobicContact CG1-CD1 4.34Å; V20-I61 HydrophobicContact CG2-CD1 3.43Å; V20-I61 VanDerWaalsContact CG2-CD1 3.43Å; L57-I61 HydrophobicContact CD1-CD1 4.03Å; L57-I61 HydrophobicContact CD1-CG1 4.2Å; L57-I61 HydrophobicContact CG-CD1 3.86Å; L57-I61 HydrophobicContact CG-CG1 4.37Å; L57-I61 WeakPolarHBondContact O-CG1 2.55Å; L57-I61 PolarHBondContact O-N 2.37Å; L58-I61 PolarHBondContact O-N 2.93Å; D59-I61 VanDerWaalsContact C-N 3.29Å; I61-G63 VanDerWaalsContact C-N 3.25Å; I61-G63 PolarHBondContact O-N 2.22Å; I61-D64 PolarHBondContact O-N 3.44Å; I61-G65 PolarHBondContact O-N 2.68Å; I61-L66 HydrophobicContact CG2-CB 3.54Å; I61-L66 PolarHBondContact O-N 3.14Å; I61-I67 HydrophobicContact CB-CD1 4.04Å; I61-I67 HydrophobicContact CB-CG1 4.11Å; I61-I67 HydrophobicContact CG2-CB 4.04Å; I61-I67 HydrophobicContact CG2-CD1 3.96Å; I61-I67 HydrophobicContact CG2-CG1 3.62Å; I61-I67 HydrophobicContact CG2-CG2 3.36Å |
| 62 | E | 89.2 | Confident | 87.4 | Confident | 62 Ų | 62 | 53 Ų | 53 | 29% | 0.29 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 177.7 | 179.7 | -166.7 | 175.1 | 0 | 0 | 110.4 | L58 D59 E60 D64 G65 I67 K69 | L58-E62 WeakPolarHBondContact O-CB 3.22Å; L58-E62 PolarHBondContact O-N 2.83Å; D59-E62 PolarHBondContact O-N 3.29Å; E60-E62 PolarHBondContact O-N 3.35Å; E62-D64 PolarHBondContact O-N 3.06Å; E62-G65 PolarHBondContact O-N 2.84Å; E62-I67 VanDerWaalsContact CA-CG1 3.45Å; E62-I67 HydrophobicContact CB-CD1 4Å; E62-I67 HydrophobicContact CB-CG1 3.77Å; E62-K69 VanDerWaalsContact CD-CB 3.45Å; E62-K69 HydrophobicContact CG-CB 4.1Å; E62-K69 WeakPolarHBondContact OE1-CB 2.57Å; E62-K69 VanDerWaalsContact OE1-CD 3.31Å; E62-K69 WeakPolarHBondContact OE1-CD 3.2Å; E62-K69 WeakPolarHBondContact OE2-CD 3.2Å |
| 63 | G | 84.3 | Confident | 86.5 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -26.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | D59 E60 I61 G65 | D59-G63 PolarHBondContact O-N 3.48Å; E60-G63 PolarHBondContact O-N 3.25Å; I61-G63 VanDerWaalsContact C-N 3.25Å; I61-G63 PolarHBondContact O-N 2.22Å; G63-G65 VanDerWaalsContact C-N 3.28Å |
| 64 | D | 86.5 | Confident | 85.2 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 10% | 0.096 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 0 | -179.3 | -71.5 | -17.4 | 0 | 0 | 0 | 110.9 | R10 H11 A12 E60 I61 E62 L66 | R10-D64 WeakPolarHBondContact CB-OD2 3.46Å; R10-D64 HydrophobicContact CG-CB 4.2Å; H11-D64 PolarHBondContact N-OD1 2.94Å; H11-D64 PolarHBondContact N-OD2 3.32Å; H11-D64 IonicContact ND1-OD1 3.84Å; A12-D64 WeakPolarHBondContact CB-OD2 3.28Å; A12-D64 PolarHBondContact N-OD2 2.38Å; E60-D64 PolarHBondContact O-N 3.38Å; I61-D64 PolarHBondContact O-N 3.44Å; E62-D64 PolarHBondContact O-N 3.06Å; D64-L66 VanDerWaalsContact C-N 3.33Å; D64-L66 HydrophobicContact CB-CD1 4.13Å; D64-L66 HydrophobicContact CB-CG 4.13Å |
| 65 | G | 85 | Confident | 83.7 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 36% | 0.361 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 112.2 | I61 E62 G63 | I61-G65 PolarHBondContact O-N 2.68Å; E62-G65 PolarHBondContact O-N 2.84Å; G63-G65 VanDerWaalsContact C-N 3.28Å | |
| 66 | L | 88.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | S | Bend | 0 | 1.3 | 0 | -66.4 | 172.7 | 0 | 0 | 0 | 110.5 | R10 V17 W21 I61 D64 P85 Y203 L204 | R10-L66 VanDerWaalsContact CZ-CD2 3.45Å; V17-L66 HydrophobicContact CB-CD1 4.26Å; V17-L66 HydrophobicContact CG1-CB 4.14Å; V17-L66 HydrophobicContact CG1-CD1 3.77Å; V17-L66 HydrophobicContact CG1-CG 4.48Å; V17-L66 HydrophobicContact CG2-CD1 3.59Å; W21-L66 HydrophobicContact CZ2-CB 4.39Å; W21-L66 HydrophobicContact CZ2-CD2 4.13Å; W21-L66 PolarHBondContact NE1-O 3.3Å; W21-L66 VanDerWaalsContact NE1-O 3.1Å; I61-L66 HydrophobicContact CG2-CB 3.54Å; I61-L66 PolarHBondContact O-N 3.14Å; D64-L66 VanDerWaalsContact C-N 3.33Å; D64-L66 HydrophobicContact CB-CD1 4.13Å; D64-L66 HydrophobicContact CB-CG 4.13Å; L66-P85 WeakPolarHBondContact O-CD 3.33Å; L66-P85 WeakPolarHBondContact O-CG 3.1Å; L66-Y203 WeakPolarHBondContact CD2-O 3.06Å; L66-L204 HydrophobicContact CD1-CD2 4.18Å; L66-L204 HydrophobicContact CD2-CD2 4.31Å | |
| 67 | I | 89.9 | Confident | 80.8 | Confident | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.015 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -152.1 | 145 | 168.2 | 61.8 | 171.5 | 0 | 0 | 0 | 107.9 | V20 L58 I61 E62 Y82 | V20-I67 HydrophobicContact CG1-CG2 4.48Å; L58-I67 HydrophobicContact CB-CD1 4.31Å; L58-I67 HydrophobicContact CD2-CD1 3.94Å; L58-I67 VanDerWaalsContact O-CD1 3.28Å; L58-I67 WeakPolarHBondContact O-CD1 2.82Å; I61-I67 HydrophobicContact CB-CD1 4.04Å; I61-I67 HydrophobicContact CB-CG1 4.11Å; I61-I67 HydrophobicContact CG2-CB 4.04Å; I61-I67 HydrophobicContact CG2-CD1 3.96Å; I61-I67 HydrophobicContact CG2-CG1 3.62Å; I61-I67 HydrophobicContact CG2-CG2 3.36Å; E62-I67 VanDerWaalsContact CA-CG1 3.45Å; E62-I67 HydrophobicContact CB-CD1 4Å; E62-I67 HydrophobicContact CB-CG1 3.77Å; I67-Y82 HydrophobicContact CD1-CD1 3.58Å; I67-Y82 HydrophobicContact CD1-CE1 3.82Å; I67-Y82 HydrophobicContact CD1-CG 4.39Å; I67-Y82 HydrophobicContact CG1-CD1 4.35Å |
| 68 | E | 86.1 | Confident | 79.5 | Confident | 97 Ų | 97 | 68.2 Ų | 68.2 | 45% | 0.453 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.6 | 179.5 | -67.9 | 178.4 | -178.3 | 0 | 0 | 110.2 | Y82 Q83 | E68-Y82 WeakPolarHBondContact O-CA 3.36Å; E68-Q83 PolarHBondContact N-O 1.61Å; E68-Q83 PolarHBondContact O-N 2.77Å |
| 69 | K | 87.2 | Confident | 78.6 | Confident | 75 Ų | 75 | 73.2 Ų | 73.2 | 33% | 0.326 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 119.1 | 179 | -175.8 | 178.3 | 178.1 | -178.7 | 0 | 109.8 | E62 V80 Y82 | E62-K69 VanDerWaalsContact CD-CB 3.45Å; E62-K69 HydrophobicContact CG-CB 4.1Å; E62-K69 WeakPolarHBondContact OE1-CB 2.57Å; E62-K69 VanDerWaalsContact OE1-CD 3.31Å; E62-K69 WeakPolarHBondContact OE1-CD 3.2Å; E62-K69 WeakPolarHBondContact OE2-CD 3.2Å; K69-V80 HydrophobicContact CD-CG1 3.85Å; K69-V80 HydrophobicContact CG-CG1 3.41Å; K69-V80 VanDerWaalsContact CG-CG1 3.41Å; K69-Y82 HydrophobicContact CB-CD1 4.28Å; K69-Y82 HydrophobicContact CB-CE1 4.08Å; K69-Y82 HydrophobicContact CD-CE1 4.39Å; K69-Y82 HydrophobicContact CG-CD1 4.47Å; K69-Y82 HydrophobicContact CG-CE1 4.01Å |
| 70 | I | 84.9 | Confident | 78.3 | Confident | 57 Ų | 57 | 72.3 Ų | 72.3 | 29% | 0.292 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 112.5 | 177.7 | -60.7 | 170.6 | 0 | 0 | 0 | 108.5 | A33 R81 Q83 | A33-I70 HydrophobicContact CB-CD1 3.71Å; I70-R81 HydrophobicContact CB-CB 4.32Å; I70-R81 PolarHBondContact N-O 2.98Å; I70-R81 PolarHBondContact O-N 3.44Å; I70-R81 VanDerWaalsContact O-N 3.17Å; I70-Q83 HydrophobicContact CD1-CB 4.02Å |
| 71 | E | 80.3 | Confident | 78.1 | Confident | 144 Ų | 144 | 74.1 Ų | 74.1 | 67% | 0.673 | 40% | 0.397 | S | S | * | . | trans | -82.3 | 136.7 | 179 | -69.5 | -177.4 | 175.1 | 0 | 0 | 110.6 | ||||
| 72 | P | 74.3 | Confident | 78 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 27% | 0.266 | 40% | 0.4 | S | S | . | . | trans | -56.4 | 0 | -179.9 | 17 | -18.7 | 0 | 0 | 0 | 111.7 | F74 G78 | P72-F74 PolarHBondContact O-N 2.93Å; P72-G78 VanDerWaalsContact CG-C 3.41Å; P72-G78 WeakPolarHBondContact CG-O 3.31Å | ||
| 73 | P | 67.6 | Low | 77.9 | Confident | 101 Ų | 101 | 74.1 Ų | 74.1 | 66% | 0.656 | 40% | 0.397 | S | S | * | . | S | Bend | 0 | 0 | 0 | 5.9 | -6.2 | 0 | 0 | 0 | 111.9 | |||
| 74 | F | 64.1 | Low | 78.1 | Confident | 194 Ų | 194 | 73.4 Ų | 73.4 | 85% | 0.851 | 39% | 0.388 | S | S | * | . | S | Bend | 0 | 0 | 0 | -78.2 | -81.1 | 0 | 0 | 0 | 108.8 | P72 | P72-F74 PolarHBondContact O-N 2.93Š| |
| 75 | G | 57.4 | Low | 78 | Confident | 59 Ų | 59 | 72.9 Ų | 72.9 | 61% | 0.608 | 39% | 0.385 | S | S | * | . | S | Bend | 0 | 112 | 0 | 0 | 0 | 0 | 0 | 0 | 111.1 | N77 G78 | G75-N77 WeakPolarHBondContact O-CA 3.49Å; G75-N77 PolarHBondContact O-N 3.24Å; G75-G78 PolarHBondContact O-N 3.34Å; G75-G78 VanDerWaalsContact O-N 3.1Å | |
| 76 | K | 59.2 | Low | 77.9 | Confident | 220 Ų | 220 | 75 Ų | 75 | 96% | 0.957 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -1.5 | 0 | 166.6 | -72 | -179.9 | -175.3 | -177.8 | 0 | 111.6 | ||
| 77 | N | 58.9 | Low | 77.6 | Confident | 161 Ų | 161 | 76.4 Ų | 76.4 | 86% | 0.861 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 10.7 | 0 | -76.3 | 24.7 | 0 | 0 | 0 | 111.3 | G75 | G75-N77 WeakPolarHBondContact O-CA 3.49Å; G75-N77 PolarHBondContact O-N 3.24Å | |
| 78 | G | 64.4 | Low | 77.1 | Confident | 29 Ų | 29 | 80.4 Ų | 80.4 | 30% | 0.299 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -95.5 | 135.9 | -178 | 0 | 0 | 0 | 0 | 0 | 110.3 | P72 G75 V80 | P72-G78 VanDerWaalsContact CG-C 3.41Å; P72-G78 WeakPolarHBondContact CG-O 3.31Å; G75-G78 PolarHBondContact O-N 3.34Å; G75-G78 VanDerWaalsContact O-N 3.1Å; G78-V80 PolarHBondContact O-N 3.46Å |
| 79 | M | 72.4 | Confident | 76.7 | Confident | 106 Ų | 106 | 82.6 Ų | 82.6 | 52% | 0.522 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 118 | -176.3 | -85.7 | 178.8 | 124.6 | 0 | 0 | 110.4 | D37 R81 | D37-M79 HydrophobicContact CB-CE 3.62Å; D37-M79 WeakPolarHBondContact OD2-CE 3.08Å; M79-R81 PolarHBondContact O-N 3.24Å |
| 80 | V | 82.7 | Confident | 76 | Confident | 39 Ų | 39 | 85.6 Ų | 85.6 | 24% | 0.236 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 130.5 | 176.2 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | P35 A36 K69 G78 Y82 | P35-V80 CarbonylContact C-O 3.57Å; A36-V80 HydrophobicContact CB-CB 4.2Å; A36-V80 WeakPolarHBondContact CB-O 3.47Å; A36-V80 PolarHBondContact N-O 3.24Å; K69-V80 HydrophobicContact CD-CG1 3.85Å; K69-V80 HydrophobicContact CG-CG1 3.41Å; K69-V80 VanDerWaalsContact CG-CG1 3.41Å; G78-V80 PolarHBondContact O-N 3.46Å; V80-Y82 HydrophobicContact CG1-CE1 4.48Å; V80-Y82 HydrophobicContact CG1-CE2 4.16Å |
| 81 | R | 85.7 | Confident | 75.4 | Confident | 94 Ų | 94 | 84.1 Ų | 84.1 | 36% | 0.355 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139 | 178.7 | -62.5 | -169.9 | -110.8 | 167.2 | -0.5 | 109.8 | A33 V34 I70 M79 | A33-R81 HydrophobicContact CB-CB 4.1Å; V34-R81 CarbonylContact O-C 3.59Å; V34-R81 VanDerWaalsContact O-CA 3.25Å; V34-R81 WeakPolarHBondContact O-CA 3.21Å; I70-R81 HydrophobicContact CB-CB 4.32Å; I70-R81 PolarHBondContact N-O 2.98Å; I70-R81 PolarHBondContact O-N 3.44Å; I70-R81 VanDerWaalsContact O-N 3.17Å; M79-R81 PolarHBondContact O-N 3.24Å |
| 82 | Y | 89.3 | Confident | 75 | Confident | 13 Ų | 13 | 82.3 Ų | 82.3 | 5% | 0.051 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 142.3 | 176.6 | -67.4 | -79.4 | 0 | 0 | 0 | 110.7 | F24 A33 V34 A36 I39 L58 I67 E68 K69 V80 | F24-Y82 WeakPolarHBondContact CE1-O 3.47Å; F24-Y82 HydrophobicContact CZ-CG 4.49Å; A33-Y82 CarbonylContact C-O 3.13Å; A33-Y82 WeakPolarHBondContact CA-O 3.41Å; V34-Y82 PolarHBondContact N-O 3.28Å; V34-Y82 PolarHBondContact O-N 0.95Å; A36-Y82 HydrophobicContact CB-CD2 3.96Å; A36-Y82 HydrophobicContact CB-CE2 3.48Å; A36-Y82 VanDerWaalsContact CB-CE2 3.48Å; I39-Y82 HydrophobicContact CD1-CD2 4.23Å; I39-Y82 HydrophobicContact CD1-CG 4.43Å; L58-Y82 HydrophobicContact CB-CE1 4.44Å; L58-Y82 HydrophobicContact CD1-CD2 4.27Å; L58-Y82 HydrophobicContact CD1-CE2 3.65Å; I67-Y82 HydrophobicContact CD1-CD1 3.58Å; I67-Y82 HydrophobicContact CD1-CE1 3.82Å; I67-Y82 HydrophobicContact CD1-CG 4.39Å; I67-Y82 HydrophobicContact CG1-CD1 4.35Å; E68-Y82 WeakPolarHBondContact O-CA 3.36Å; K69-Y82 HydrophobicContact CB-CD1 4.28Å; K69-Y82 HydrophobicContact CB-CE1 4.08Å; K69-Y82 HydrophobicContact CD-CE1 4.39Å; K69-Y82 HydrophobicContact CG-CD1 4.47Å; K69-Y82 HydrophobicContact CG-CE1 4.01Å; V80-Y82 HydrophobicContact CG1-CE1 4.48Å; V80-Y82 HydrophobicContact CG1-CE2 4.16Å |
| 83 | Q | 88 | Confident | 74.9 | Confident | 48 Ų | 48 | 85 Ų | 85 | 22% | 0.224 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 147.2 | 175.4 | 170.8 | 176.9 | 29.4 | 0 | 0 | 109.3 | L32 A33 E68 I70 | L32-Q83 VanDerWaalsContact CB-NE2 3.34Å; L32-Q83 WeakPolarHBondContact O-CB 3.39Å; L32-Q83 WeakPolarHBondContact O-CG 3.44Å; A33-Q83 HydrophobicContact CB-CB 4.27Å; E68-Q83 PolarHBondContact N-O 1.61Å; E68-Q83 PolarHBondContact O-N 2.77Å; I70-Q83 HydrophobicContact CD1-CB 4.02Å |
| 84 | L | 86.9 | Confident | 75.3 | Confident | 8 Ų | 8 | 81.9 Ų | 81.9 | 4% | 0.042 | 43% | 0.429 | C | S | . | . | trans | -70.8 | 140.7 | 177.4 | -69.3 | 174.7 | 0 | 0 | 0 | 110.6 | W21 F24 K28 F87 | W21-L84 HydrophobicContact CB-CD2 4.4Å; W21-L84 HydrophobicContact CG-CD2 3.8Å; F24-L84 HydrophobicContact CB-CD1 3.63Å; F24-L84 HydrophobicContact CB-CD2 4.17Å; F24-L84 HydrophobicContact CB-CG 3.84Å; F24-L84 HydrophobicContact CD1-CG 4Å; F24-L84 HydrophobicContact CD2-CD2 3.95Å; F24-L84 HydrophobicContact CD2-CG 4.29Å; F24-L84 HydrophobicContact CE2-CD2 4.5Å; F24-L84 HydrophobicContact CG-CD1 4.2Å; F24-L84 HydrophobicContact CG-CD2 3.98Å; F24-L84 HydrophobicContact CG-CG 3.8Å; K28-L84 HydrophobicContact CD-CD1 4.22Å; L84-F87 HydrophobicContact CB-CE2 4.06Å; L84-F87 HydrophobicContact CB-CZ 3.96Å; L84-F87 HydrophobicContact CD1-CE2 4.07Å; L84-F87 HydrophobicContact CD1-CZ 4.21Å; L84-F87 HydrophobicContact CD2-CZ 4.28Å; L84-F87 HydrophobicContact CG-CZ 4.4Å | ||
| 85 | P | 84.2 | Confident | 76.3 | Confident | 7 Ų | 7 | 81.2 Ų | 81.2 | 5% | 0.045 | 43% | 0.426 | C | S | . | . | trans | -56.4 | 149.1 | 175.6 | -18.1 | 27.4 | 0 | 0 | 0 | 112 | L66 F87 Y203 | L66-P85 WeakPolarHBondContact O-CD 3.33Å; L66-P85 WeakPolarHBondContact O-CG 3.1Å; P85-F87 VanDerWaalsContact C-N 3.32Å; P85-F87 PolarHBondContact O-N 3.38Å; P85-Y203 HydrophobicContact CB-CE1 3.89Å | ||
| 86 | D | 82.8 | Confident | 77.9 | Confident | 80 Ų | 80 | 80 Ų | 80 | 43% | 0.428 | 41% | 0.405 | S | S | . | . | trans | -66.7 | 106.2 | 173.6 | -172.7 | 0.3 | 0 | 0 | 0 | 110.4 | S88 K89 Y203 | D86-S88 PolarHBondContact O-N 3.36Å; D86-S88 WeakPolarHBondContact OD1-CB 3.5Å; D86-S88 PolarHBondContact OD1-N 2.88Å; D86-S88 PolarHBondContact OD1-OG 2.66Å; D86-S88 PolarHBondContact OD2-OG 2.96Å; D86-K89 HydrophobicContact CB-CD 4.39Å; D86-K89 HydrophobicContact CB-CG 4.34Å; D86-K89 PolarHBondContact O-N 3.37Å; D86-Y203 PolarHBondContact O-OH 3.08Å | ||
| 87 | F | 83.8 | Confident | 79.4 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 13% | 0.127 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -6 | -173 | -63.8 | -59.5 | 0 | 0 | 0 | 110.5 | W21 L84 P85 K89 T199 K200 Y203 | W21-F87 HydrophobicContact CD2-CZ 4.41Å; W21-F87 HydrophobicContact CH2-CE1 4.05Å; W21-F87 AromaticContact CZ2-CE1 3.98Å; W21-F87 HydrophobicContact CZ2-CE1 3.98Å; W21-F87 HydrophobicContact CZ2-CZ 4.42Å; W21-F87 HydrophobicContact CZ3-CE1 4.46Å; L84-F87 HydrophobicContact CB-CE2 4.06Å; L84-F87 HydrophobicContact CB-CZ 3.96Å; L84-F87 HydrophobicContact CD1-CE2 4.07Å; L84-F87 HydrophobicContact CD1-CZ 4.21Å; L84-F87 HydrophobicContact CD2-CZ 4.28Å; L84-F87 HydrophobicContact CG-CZ 4.4Å; P85-F87 VanDerWaalsContact C-N 3.32Å; P85-F87 PolarHBondContact O-N 3.38Å; F87-K89 PolarHBondContact O-N 3.4Å; F87-T199 WeakPolarHBondContact O-CB 3.26Å; F87-K200 HydrophobicContact CD1-CG 4.23Å; F87-K200 HydrophobicContact CD2-CG 4.4Å; F87-K200 HydrophobicContact CE1-CG 4.09Å; F87-K200 HydrophobicContact CE2-CD 4.36Å; F87-K200 HydrophobicContact CE2-CG 4.28Å; F87-K200 HydrophobicContact CG-CB 4.42Å; F87-K200 HydrophobicContact CG-CG 4.38Å; F87-K200 HydrophobicContact CZ-CD 4.49Å; F87-K200 HydrophobicContact CZ-CG 4.12Å; F87-Y203 VanDerWaalsContact CA-CE2 3.49Å; F87-Y203 HydrophobicContact CB-CE2 4.13Å; F87-Y203 AromaticContact CD1-CD2 3.66Å; F87-Y203 HydrophobicContact CD1-CD2 3.66Å; F87-Y203 AromaticContact CD1-CE2 3.71Å; F87-Y203 HydrophobicContact CD1-CE2 3.71Å; F87-Y203 HydrophobicContact CD1-CG 4.09Å; F87-Y203 HydrophobicContact CE1-CD2 4.42Å; F87-Y203 HydrophobicContact CE1-CG 4.43Å; F87-Y203 HydrophobicContact CG-CE2 4.42Å |
| 88 | S | 78.9 | Confident | 81 | Confident | 86 Ų | 86 | 62.5 Ų | 62.5 | 60% | 0.601 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -18.8 | 176.5 | 64 | 0 | 0 | 0 | 0 | 111.2 | D86 | D86-S88 PolarHBondContact O-N 3.36Å; D86-S88 WeakPolarHBondContact OD1-CB 3.5Å; D86-S88 PolarHBondContact OD1-N 2.88Å; D86-S88 PolarHBondContact OD1-OG 2.66Å; D86-S88 PolarHBondContact OD2-OG 2.96Å |
| 89 | K | 78.7 | Confident | 82.4 | Confident | 144 Ų | 144 | 61.1 Ų | 61.1 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -93.5 | 140 | 178 | -68 | -178.3 | -176.9 | 178.9 | 0 | 110.4 | D86 F87 H91 Y203 | D86-K89 HydrophobicContact CB-CD 4.39Å; D86-K89 HydrophobicContact CB-CG 4.34Å; D86-K89 PolarHBondContact O-N 3.37Å; F87-K89 PolarHBondContact O-N 3.4Å; K89-H91 PolarHBondContact O-N 3.1Å; K89-Y203 VanDerWaalsContact C-OH 3.32Å; K89-Y203 WeakPolarHBondContact O-CE2 3.38Å; K89-Y203 PolarHBondContact O-OH 3.1Å |
| 90 | Q | 72.3 | Confident | 83.4 | Confident | 137 Ų | 137 | 56 Ų | 56 | 64% | 0.64 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 128.6 | -179.7 | -71.9 | -175.9 | -10.7 | 0 | 0 | 110.4 | ||
| 91 | H | 72.4 | Confident | 84 | Confident | 26 Ų | 26 | 54.5 Ų | 54.5 | 12% | 0.12 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 126.2 | 178.8 | -177.3 | 68.9 | 0 | 0 | 0 | 110.2 | R10 K89 R93 W98 Y203 | R10-H91 PolarHBondContact NH2-CD2 1.04Å; R10-H91 PolarHBondContact NH2-NE2 3.47Å; K89-H91 PolarHBondContact O-N 3.1Å; H91-R93 WeakPolarHBondContact O-CG 3.47Å; H91-R93 PolarHBondContact O-N 2.78Å; H91-W98 AromaticContact CD2-CH2 3.58Å; H91-W98 AromaticContact CD2-CZ2 3.52Å; H91-W98 AromaticContact NE2-CZ2 3.91Å; H91-Y203 HydrophobicContact CB-CD1 3.75Å; H91-Y203 HydrophobicContact CB-CE1 3.78Å; H91-Y203 HydrophobicContact CB-CG 4.2Å; H91-Y203 AromaticContact ND1-CD1 3.82Å; H91-Y203 AromaticContact ND1-CE1 3.91Å |
| 92 | P | 71.2 | Confident | 84.3 | Confident | 107 Ų | 107 | 53.3 Ų | 53.3 | 70% | 0.695 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -52 | 119.3 | 178.4 | -10 | 16 | 0 | 0 | 0 | 111.7 | ||
| 93 | R | 71.4 | Confident | 84.5 | Confident | 98 Ų | 98 | 54.2 Ų | 54.2 | 37% | 0.37 | 28% | 0.278 | S | S | . | . | trans | -108.1 | 132.4 | -173.8 | -65.1 | -177.8 | -174.7 | -159.2 | -1.2 | 109.6 | H91 W98 E202 Y206 | H91-R93 WeakPolarHBondContact O-CG 3.47Å; H91-R93 PolarHBondContact O-N 2.78Å; R93-W98 HydrophobicContact CG-CH2 4.37Å; R93-E202 IonicContact NH2-OE2 2.97Å; R93-Y206 HydrophobicContact CB-CE2 4.33Å; R93-Y206 PolarHBondContact NH1-O 3.05Å | ||
| 94 | G | 77.3 | Confident | 84.8 | Confident | 34 Ų | 34 | 52.9 Ų | 52.9 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | trans | -76.7 | -175.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y206 | G94-Y206 WeakPolarHBondContact O-CE2 3.25Å; G94-Y206 PolarHBondContact O-OH 3.49Å | ||
| 95 | K | 85.2 | Confident | 85 | Confident | 181 Ų | 181 | 58 Ų | 58 | 79% | 0.787 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -77.2 | 0 | -177.3 | -72 | -176.5 | -176.5 | -176.5 | 0 | 110.6 | F116 Y206 | K95-F116 WeakPolarHBondContact O-CB 3.42Å; K95-Y206 PolarHBondContact O-OH 3.32Å |
| 96 | H | 90.1 | Very high | 85.4 | Confident | 34 Ų | 34 | 59 Ų | 59 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | S | Bend | 0 | 161.6 | 0 | -72.5 | 78.2 | 0 | 0 | 0 | 109.8 | R111 C112 C115 F116 V118 Y206 | H96-R111 HydrophobicContact CB-CG 4.29Å; H96-R111 WeakPolarHBondContact CD2-CB 3.46Å; H96-R111 WeakPolarHBondContact NE2-CB 3.09Å; H96-C112 PolarHBondContact CD2-O 3.36Å; H96-C112 PolarHBondContact NE2-O 3.33Å; H96-C115 PolarHBondContact CD2-O 3.45Å; H96-C115 PolarHBondContact NE2-O 2.72Å; H96-F116 CarbonylContact C-O 2.6Å; H96-F116 WeakPolarHBondContact CA-O 3.18Å; H96-V118 HydrophobicContact CB-CG1 3.6Å; H96-Y206 WeakPolarHBondContact O-CE2 3.26Å | |
| 97 | D | 92 | Very high | 85.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -67.9 | 153.6 | 176.5 | -156.8 | -24.9 | 0 | 0 | 0 | 110.4 | Y99 F101 F116 V118 Y206 H238 | D97-Y99 PolarHBondContact OD1-N 3.48Å; D97-F101 HydrophobicContact CB-CE2 4.02Å; D97-F101 VanDerWaalsContact OD2-CE2 3.26Å; D97-F101 WeakPolarHBondContact OD2-CE2 3.29Å; D97-F116 HydrophobicContact CB-CD2 4.19Å; D97-F116 PolarHBondContact N-O 3.2Å; D97-V118 HydrophobicContact CB-CG2 4.07Å; D97-V118 VanDerWaalsContact O-CG1 3.28Å; D97-V118 WeakPolarHBondContact O-CG1 2.82Å; D97-V118 WeakPolarHBondContact O-CG2 1.32Å; D97-Y206 HydrophobicContact CB-CG 4.31Å; D97-Y206 WeakPolarHBondContact OD1-CB 3.29Å; D97-H238 IonicContact OD1-NE2 2.37Å; D97-H238 IonicContact OD2-CD2 1.69Å; D97-H238 PolarHBondContact OD2-CD2 3.18Å; D97-H238 VanDerWaalsContact OD2-CD2 3.31Å; D97-H238 IonicContact OD2-NE2 0.95Å; D97-H238 PolarHBondContact OD2-NE2 3.45Å | ||
| 98 | W | 91.4 | Very high | 85.9 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 5% | 0.045 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -88.7 | -18.2 | -174.9 | -60.8 | -67.9 | 0 | 0 | 0 | 110.8 | R10 H91 R93 Y206 | R10-W98 HydrophobicContact CB-CB 3.98Å; R10-W98 HydrophobicContact CG-CB 3.49Å; R10-W98 VanDerWaalsContact CG-CB 3.49Å; R10-W98 HydrophobicContact CG-CD2 4.25Å; R10-W98 HydrophobicContact CG-CG 3.59Å; R10-W98 VanDerWaalsContact NE-CD2 3.26Å; H91-W98 AromaticContact CD2-CH2 3.58Å; H91-W98 AromaticContact CD2-CZ2 3.52Å; H91-W98 AromaticContact NE2-CZ2 3.91Å; R93-W98 HydrophobicContact CG-CH2 4.37Å; W98-Y206 HydrophobicContact CH2-CD2 4.43Å |
| 99 | Y | 94 | Very high | 86.5 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -119.9 | 142.4 | -171.2 | -58.9 | -77.1 | 0 | 0 | 0 | 109.2 | R10 P14 D97 P106 V118 L204 I242 | R10-Y99 HydrophobicContact CB-CE1 4.22Å; R10-Y99 WeakPolarHBondContact CD-OH 3.46Å; P14-Y99 HydrophobicContact CB-CE1 4.34Å; P14-Y99 HydrophobicContact CG-CD1 4.42Å; P14-Y99 HydrophobicContact CG-CE1 3.88Å; D97-Y99 PolarHBondContact OD1-N 3.48Å; Y99-P106 HydrophobicContact CD1-CB 4.01Å; Y99-P106 HydrophobicContact CE1-CB 3.95Å; Y99-V118 WeakPolarHBondContact O-CG2 1.62Å; Y99-L204 WeakPolarHBondContact CE2-O 3.29Å; Y99-I242 HydrophobicContact CD2-CD1 3.48Å; Y99-I242 VanDerWaalsContact CD2-CD1 3.48Å; Y99-I242 HydrophobicContact CD2-CG1 4.09Å; Y99-I242 HydrophobicContact CD2-CG2 4.16Å; Y99-I242 HydrophobicContact CE2-CD1 4.28Å; Y99-I242 HydrophobicContact CE2-CG2 3.95Å; Y99-I242 HydrophobicContact CG-CD1 4Å; Y99-I242 HydrophobicContact CG-CG1 4.29Å |
| 100 | C | 94.2 | Very high | 87 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -57.9 | 136.5 | 179.4 | 177 | 0 | 0 | 0 | 0 | 111 | Q102 C103 H104 R105 V109 V118 H120 H238 | C100-Q102 PolarHBondContact O-N 3.02Å; C100-Q102 PolarHBondContact SG-N 2.72Å; C100-C103 WeakPolarHBondContact CB-SG 3.46Å; C100-C103 VanDerWaalsContact SG-SG 3.63Å; C100-H104 WeakPolarHBondContact O-CA 3.4Å; C100-H104 PolarHBondContact O-N 3.14Å; C100-R105 PolarHBondContact N-O 3.09Å; C100-V109 HydrophobicContact CB-CG1 4.21Å; C100-V118 WeakPolarHBondContact CA-O 2.5Å; C100-H120 WeakPolarHBondContact CB-CE1 3.47Å; C100-H120 WeakPolarHBondContact CB-ND1 3.29Å; C100-H120 PolarHBondContact SG-N 2.95Å; C100-H120 PolarHBondContact SG-ND1 3.06Å; C100-H238 PolarHBondContact O-CE1 3.36Å; C100-H238 VanDerWaalsContact O-CE1 3.26Å | ||
| 101 | F | 93.7 | Very high | 87.9 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -10.4 | -175.4 | -105.9 | -104.1 | 0 | 0 | 0 | 109.9 | D97 H104 F116 R117 V118 Y119 L235 H238 | D97-F101 HydrophobicContact CB-CE2 4.02Å; D97-F101 VanDerWaalsContact OD2-CE2 3.26Å; D97-F101 WeakPolarHBondContact OD2-CE2 3.29Å; F101-H104 PolarHBondContact O-CE1 3.36Å; F101-H104 VanDerWaalsContact O-CE1 3.29Å; F101-F116 HydrophobicContact CE2-CD2 4.24Å; F101-F116 AromaticContact CE2-CE2 3.85Å; F101-F116 HydrophobicContact CE2-CE2 3.85Å; F101-F116 HydrophobicContact CZ-CD2 4.36Å; F101-F116 AromaticContact CZ-CE2 3.53Å; F101-F116 HydrophobicContact CZ-CE2 3.53Å; F101-F116 HydrophobicContact CZ-CZ 4.2Å; F101-R117 HydrophobicContact CD1-CG 4.03Å; F101-R117 HydrophobicContact CD2-CB 3.83Å; F101-R117 HydrophobicContact CD2-CG 3.75Å; F101-R117 HydrophobicContact CE1-CG 3.79Å; F101-R117 HydrophobicContact CE2-CB 3.94Å; F101-R117 HydrophobicContact CE2-CG 3.48Å; F101-R117 VanDerWaalsContact CE2-CG 3.48Å; F101-R117 HydrophobicContact CG-CB 4.25Å; F101-R117 HydrophobicContact CG-CG 4.01Å; F101-R117 HydrophobicContact CZ-CB 4.46Å; F101-R117 HydrophobicContact CZ-CG 3.5Å; F101-V118 PolarHBondContact N-O 3.45Å; F101-Y119 HydrophobicContact CB-CD1 4.38Å; F101-Y119 HydrophobicContact CB-CE1 3.78Å; F101-Y119 HydrophobicContact CB-CE2 4.27Å; F101-L235 HydrophobicContact CE1-CD1 4.27Å; F101-L235 HydrophobicContact CZ-CD1 3.81Å; F101-H238 HydrophobicContact CD1-CB 4.36Å; F101-H238 HydrophobicContact CE1-CB 4.17Å |
| 102 | Q | 92.7 | Very high | 88.8 | Confident | 70 Ų | 70 | 50.7 Ų | 50.7 | 33% | 0.327 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -50.1 | 177.4 | -179.1 | 63.4 | 20 | 0 | 0 | 110.6 | C100 Y119 C123 A127 | C100-Q102 PolarHBondContact O-N 3.02Å; C100-Q102 PolarHBondContact SG-N 2.72Å; Q102-Y119 HydrophobicContact CB-CD1 4.06Å; Q102-Y119 HydrophobicContact CB-CE1 4.28Å; Q102-C123 HydrophobicContact CB-CB 3.63Å; Q102-C123 HydrophobicContact CG-CB 3.95Å; Q102-A127 HydrophobicContact CG-CB 4.49Å |
| 103 | C | 93 | Very high | 89.7 | Confident | 32 Ų | 32 | 50.1 Ų | 50.1 | 22% | 0.216 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 0 | -175.6 | 66.5 | 0 | 0 | 0 | 0 | 110.4 | C100 R105 H120 | C100-C103 WeakPolarHBondContact CB-SG 3.46Å; C100-C103 VanDerWaalsContact SG-SG 3.63Å; C103-R105 HydrophobicContact CB-CG 4.42Å; C103-R105 WeakPolarHBondContact O-CG 3.17Å; C103-R105 PolarHBondContact O-N 3.44Å; C103-R105 VanDerWaalsContact O-N 3.13Å; C103-R105 PolarHBondContact SG-N 3.08Å; C103-R105 VanDerWaalsContact SG-N 3.44Å; C103-H120 PolarHBondContact SG-CE1 3.36Å; C103-H120 PolarHBondContact SG-ND1 3.26Å |
| 104 | H | 94.2 | Very high | 90.4 | Very high | 19 Ų | 19 | 48.7 Ų | 48.7 | 9% | 0.088 | 24% | 0.242 | C | C | . | . | 0 | 16.5 | 0 | -49.4 | -65 | 0 | 0 | 0 | 110.8 | C100 F101 H238 C241 | C100-H104 WeakPolarHBondContact O-CA 3.4Å; C100-H104 PolarHBondContact O-N 3.14Å; F101-H104 PolarHBondContact O-CE1 3.36Å; F101-H104 VanDerWaalsContact O-CE1 3.29Å; H104-H238 AromaticContact CE1-ND1 3.5Å; H104-H238 AromaticContact CG-ND1 3.94Å; H104-H238 AromaticContact ND1-CE1 3.6Å; H104-H238 AromaticContact ND1-CG 3.76Å; H104-H238 AromaticContact ND1-ND1 2.77Å; H104-H238 PolarHBondContact ND1-ND1 3.45Å; H104-C241 HydrophobicContact CB-CB 3.86Å; H104-C241 VanDerWaalsContact CD2-SG 3.59Å; H104-C241 VanDerWaalsContact CG-CB 3.48Å | |||
| 105 | R | 92.4 | Very high | 91 | Very high | 117 Ų | 117 | 48.3 Ų | 48.3 | 44% | 0.442 | 23% | 0.233 | S | C | . | . | trans | -103.5 | 155.6 | -178.9 | -67.9 | -173.5 | -176.1 | -123.1 | -0.7 | 109.7 | C100 C103 H120 | C100-R105 PolarHBondContact N-O 3.09Å; C103-R105 HydrophobicContact CB-CG 4.42Å; C103-R105 WeakPolarHBondContact O-CG 3.17Å; C103-R105 PolarHBondContact O-N 3.44Å; C103-R105 VanDerWaalsContact O-N 3.13Å; C103-R105 PolarHBondContact SG-N 3.08Å; C103-R105 VanDerWaalsContact SG-N 3.44Å; R105-H120 PolarHBondContact O-CE1 3.25Å | ||
| 106 | P | 92.3 | Very high | 91.3 | Very high | 27 Ų | 27 | 41 Ų | 41 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | trans | -73 | 162.6 | 177.5 | 28.9 | -34.7 | 0 | 0 | 0 | 111.9 | R10 Y99 H120 | R10-P106 WeakPolarHBondContact O-CB 3.34Å; Y99-P106 HydrophobicContact CD1-CB 4.01Å; Y99-P106 HydrophobicContact CE1-CB 3.95Å; P106-H120 PolarHBondContact O-NE2 3.29Å | ||
| 107 | G | 88.8 | Confident | 91.4 | Very high | 20 Ų | 20 | 40 Ų | 40 | 21% | 0.206 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 144.7 | -175.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y9 R10 V109 | Y9-G107 WeakPolarHBondContact CB-O 3.41Å; Y9-G107 VanDerWaalsContact CD2-C 3.47Å; Y9-G107 WeakPolarHBondContact CD2-O 2.76Å; R10-G107 PolarHBondContact O-N 2.86Å; G107-V109 WeakPolarHBondContact O-CG1 1.96Å; G107-V109 PolarHBondContact O-N 3.11Å |
| 108 | E | 88.4 | Confident | 91.5 | Very high | 135 Ų | 135 | 40 Ų | 40 | 63% | 0.631 | 20% | 0.196 | S | C | * | . | trans | -71.4 | 125 | 178.8 | -171 | 176.4 | -176.2 | 0 | 0 | 110.5 | Y9 H120 | Y9-E108 HydrophobicContact CE1-CG 4.47Å; E108-H120 PolarHBondContact O-CD2 2.95Å | ||
| 109 | V | 90.6 | Very high | 91.6 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 9% | 0.085 | 20% | 0.195 | C | C | . | . | trans | -127.8 | 149.2 | -171.7 | -68.6 | 0 | 0 | 0 | 0 | 108.2 | C100 G107 V118 Y119 | C100-V109 HydrophobicContact CB-CG1 4.21Å; G107-V109 WeakPolarHBondContact O-CG1 1.96Å; G107-V109 PolarHBondContact O-N 3.11Å; V109-V118 HydrophobicContact CB-CB 3.6Å; V109-V118 HydrophobicContact CB-CG2 3.86Å; V109-V118 HydrophobicContact CG1-CB 4.34Å; V109-V118 HydrophobicContact CG1-CG2 4.04Å; V109-V118 HydrophobicContact CG2-CB 3.52Å; V109-V118 HydrophobicContact CG2-CG1 3.93Å; V109-V118 HydrophobicContact CG2-CG2 3.78Å; V109-Y119 CarbonylContact C-O 2.97Å; V109-Y119 VanDerWaalsContact C-O 3.28Å; V109-Y119 WeakPolarHBondContact CA-O 2.6Å | ||
| 110 | L | 90 | Very high | 91.5 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 28% | 0.277 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 134.6 | 170.2 | -58.1 | 172.5 | 0 | 0 | 0 | 111.3 | V118 Y119 V124 F151 | L110-V118 CarbonylContact O-C 3.34Å; L110-V118 WeakPolarHBondContact O-CA 3.34Å; L110-Y119 WeakPolarHBondContact CA-O 3.12Å; L110-Y119 PolarHBondContact N-O 2.74Å; L110-Y119 PolarHBondContact O-N 2.09Å; L110-V124 HydrophobicContact CD1-CG2 3.84Å; L110-F151 HydrophobicContact CB-CD1 3.79Å; L110-F151 HydrophobicContact CB-CD2 4.44Å; L110-F151 HydrophobicContact CB-CE1 3.92Å; L110-F151 HydrophobicContact CB-CG 4.07Å; L110-F151 HydrophobicContact CB-CZ 4.31Å; L110-F151 HydrophobicContact CD1-CD2 4.19Å; L110-F151 HydrophobicContact CD1-CE2 4.19Å |
| 111 | R | 91.4 | Very high | 91.3 | Very high | 105 Ų | 105 | 44.5 Ų | 44.5 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127.8 | -176.5 | -56.4 | 174 | -173.7 | -179.4 | -1.1 | 109.7 | S8 H96 V118 F151 | S8-R111 CovalentContact CB-NH2 1.42Å; S8-R111 PolarHBondContact OG-NH2 2.92Å; H96-R111 HydrophobicContact CB-CG 4.29Å; H96-R111 WeakPolarHBondContact CD2-CB 3.46Å; H96-R111 WeakPolarHBondContact NE2-CB 3.09Å; R111-V118 HydrophobicContact CG-CG1 4.14Å; R111-F151 WeakPolarHBondContact O-CD1 3.13Å |
| 112 | C | 91 | Very high | 91 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 152.4 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 111 | H96 D114 C115 R117 F151 C153 | H96-C112 PolarHBondContact CD2-O 3.36Å; H96-C112 PolarHBondContact NE2-O 3.33Å; C112-D114 VanDerWaalsContact C-N 3.3Å; C112-D114 PolarHBondContact SG-N 2.91Å; C112-D114 VanDerWaalsContact SG-N 3.36Å; C112-C115 VanDerWaalsContact O-O 3.1Å; C112-R117 WeakPolarHBondContact CB-O 3.3Å; C112-R117 PolarHBondContact N-O 1.38Å; C112-R117 VanDerWaalsContact N-O 3.12Å; C112-F151 CarbonylContact C-O 1.73Å; C112-F151 WeakPolarHBondContact CA-O 3.39Å; C112-F151 HydrophobicContact CB-CD1 4.39Å; C112-F151 HydrophobicContact CB-CE1 4.39Å; C112-C153 HydrophobicContact CB-CB 3.78Å; C112-C153 PolarHBondContact SG-N 3.23Å; C112-C153 PolarHBondContact SG-SG 3.33Å |
| 113 | L | 89 | Confident | 91 | Very high | 95 Ų | 95 | 48 Ų | 48 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -90.9 | -19.4 | -177.7 | -68.5 | 174 | 0 | 0 | 0 | 110.5 | D149 N150 F151 | L113-D149 WeakPolarHBondContact CD1-O 3.28Å; L113-D149 WeakPolarHBondContact CD2-O 3.08Å; L113-D149 WeakPolarHBondContact CG-O 3.41Å; L113-N150 HydrophobicContact CD1-CB 4.01Å; L113-F151 WeakPolarHBondContact CG-O 3.19Å; L113-F151 PolarHBondContact N-O 3.32Å |
| 114 | D | 86.4 | Confident | 90.7 | Very high | 69 Ų | 69 | 46.9 Ų | 46.9 | 37% | 0.369 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -105.5 | -11.7 | -171.9 | -64.4 | -41.4 | 0 | 0 | 0 | 110.9 | C112 T152 C156 | C112-D114 VanDerWaalsContact C-N 3.3Å; C112-D114 PolarHBondContact SG-N 2.91Å; C112-D114 VanDerWaalsContact SG-N 3.36Å; D114-T152 VanDerWaalsContact OD2-CG2 3.26Å; D114-T152 WeakPolarHBondContact OD2-CG2 3.44Å; D114-C156 HydrophobicContact CB-CB 4.01Å |
| 115 | C | 90.3 | Very high | 90 | Very high | 25 Ų | 25 | 52.6 Ų | 52.6 | 17% | 0.169 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -153 | -179.3 | -179.8 | 70 | 0 | 0 | 0 | 0 | 109.4 | H96 C112 R117 C153 C156 | H96-C115 PolarHBondContact CD2-O 3.45Å; H96-C115 PolarHBondContact NE2-O 2.72Å; C112-C115 VanDerWaalsContact O-O 3.1Å; C115-R117 PolarHBondContact O-N 3.06Å; C115-R117 WeakPolarHBondContact SG-CB 3.03Å; C115-R117 PolarHBondContact SG-N 3.1Å; C115-C153 PolarHBondContact SG-SG 2.66Å; C115-C156 WeakPolarHBondContact CB-SG 3.48Å; C115-C156 PolarHBondContact SG-SG 3.36Å |
| 116 | F | 92.2 | Very high | 89.3 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -87.1 | 1.7 | -172.6 | 61.5 | -95.4 | 0 | 0 | 0 | 110.2 | K95 H96 D97 F101 Y206 K207 L235 | K95-F116 WeakPolarHBondContact O-CB 3.42Å; H96-F116 CarbonylContact C-O 2.6Å; H96-F116 WeakPolarHBondContact CA-O 3.18Å; D97-F116 HydrophobicContact CB-CD2 4.19Å; D97-F116 PolarHBondContact N-O 3.2Å; F101-F116 HydrophobicContact CE2-CD2 4.24Å; F101-F116 AromaticContact CE2-CE2 3.85Å; F101-F116 HydrophobicContact CE2-CE2 3.85Å; F101-F116 HydrophobicContact CZ-CD2 4.36Å; F101-F116 AromaticContact CZ-CE2 3.53Å; F101-F116 HydrophobicContact CZ-CE2 3.53Å; F101-F116 HydrophobicContact CZ-CZ 4.2Å; F116-Y206 HydrophobicContact CB-CD1 4.25Å; F116-Y206 HydrophobicContact CB-CE1 3.45Å; F116-Y206 VanDerWaalsContact CB-CE1 3.45Å; F116-Y206 HydrophobicContact CD1-CE1 4.17Å; F116-Y206 AromaticContact CD2-CD1 3.48Å; F116-Y206 HydrophobicContact CD2-CD1 3.48Å; F116-Y206 VanDerWaalsContact CD2-CD1 3.48Å; F116-Y206 AromaticContact CD2-CE1 3.53Å; F116-Y206 HydrophobicContact CD2-CE1 3.53Å; F116-Y206 AromaticContact CE2-CD1 3.95Å; F116-Y206 HydrophobicContact CE2-CD1 3.95Å; F116-Y206 HydrophobicContact CE2-CE1 4.29Å; F116-Y206 AromaticContact CG-CD1 3.93Å; F116-Y206 HydrophobicContact CG-CD1 3.93Å; F116-Y206 AromaticContact CG-CE1 3.45Å; F116-Y206 HydrophobicContact CG-CE1 3.45Å; F116-Y206 VanDerWaalsContact CG-CE1 3.45Å; F116-K207 HydrophobicContact CD1-CD 4.15Å; F116-K207 VanDerWaalsContact CD1-NZ 3.3Å; F116-K207 HydrophobicContact CE1-CD 3.74Å; F116-K207 HydrophobicContact CE2-CD 4.38Å; F116-K207 HydrophobicContact CZ-CD 3.88Å; F116-L235 HydrophobicContact CE2-CD1 4.09Å; F116-L235 HydrophobicContact CZ-CD1 4.15Å; F116-L235 HydrophobicContact CZ-CD2 4.22Å |
| 117 | R | 92.3 | Very high | 88.2 | Confident | 15 Ų | 15 | 53.7 Ų | 53.7 | 6% | 0.057 | 28% | 0.279 | C | S | . | . | trans | -76 | 150 | -175 | -70.3 | -178.9 | 177.9 | 85.7 | -0.2 | 110 | F101 C112 C115 Y119 | F101-R117 HydrophobicContact CD1-CG 4.03Å; F101-R117 HydrophobicContact CD2-CB 3.83Å; F101-R117 HydrophobicContact CD2-CG 3.75Å; F101-R117 HydrophobicContact CE1-CG 3.79Å; F101-R117 HydrophobicContact CE2-CB 3.94Å; F101-R117 HydrophobicContact CE2-CG 3.48Å; F101-R117 VanDerWaalsContact CE2-CG 3.48Å; F101-R117 HydrophobicContact CG-CB 4.25Å; F101-R117 HydrophobicContact CG-CG 4.01Å; F101-R117 HydrophobicContact CZ-CB 4.46Å; F101-R117 HydrophobicContact CZ-CG 3.5Å; C112-R117 WeakPolarHBondContact CB-O 3.3Å; C112-R117 PolarHBondContact N-O 1.38Å; C112-R117 VanDerWaalsContact N-O 3.12Å; C115-R117 PolarHBondContact O-N 3.06Å; C115-R117 WeakPolarHBondContact SG-CB 3.03Å; C115-R117 PolarHBondContact SG-N 3.1Å; R117-Y119 HydrophobicContact CB-CE2 4.1Å | ||
| 118 | V | 92.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 151.7 | 180 | -63 | 0 | 0 | 0 | 0 | 108.4 | H96 D97 Y99 C100 F101 V109 L110 R111 | H96-V118 HydrophobicContact CB-CG1 3.6Å; D97-V118 HydrophobicContact CB-CG2 4.07Å; D97-V118 VanDerWaalsContact O-CG1 3.28Å; D97-V118 WeakPolarHBondContact O-CG1 2.82Å; D97-V118 WeakPolarHBondContact O-CG2 1.32Å; Y99-V118 WeakPolarHBondContact O-CG2 1.62Å; C100-V118 WeakPolarHBondContact CA-O 2.5Å; F101-V118 PolarHBondContact N-O 3.45Å; V109-V118 HydrophobicContact CB-CB 3.6Å; V109-V118 HydrophobicContact CB-CG2 3.86Å; V109-V118 HydrophobicContact CG1-CB 4.34Å; V109-V118 HydrophobicContact CG1-CG2 4.04Å; V109-V118 HydrophobicContact CG2-CB 3.52Å; V109-V118 HydrophobicContact CG2-CG1 3.93Å; V109-V118 HydrophobicContact CG2-CG2 3.78Å; L110-V118 CarbonylContact O-C 3.34Å; L110-V118 WeakPolarHBondContact O-CA 3.34Å; R111-V118 HydrophobicContact CG-CG1 4.14Å |
| 119 | Y | 93.6 | Very high | 85.6 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 152 | -179.8 | -69.7 | -95.8 | 0 | 0 | 0 | 109.4 | F101 Q102 V109 L110 R117 V124 A127 F151 C153 V155 | F101-Y119 HydrophobicContact CB-CD1 4.38Å; F101-Y119 HydrophobicContact CB-CE1 3.78Å; F101-Y119 HydrophobicContact CB-CE2 4.27Å; Q102-Y119 HydrophobicContact CB-CD1 4.06Å; Q102-Y119 HydrophobicContact CB-CE1 4.28Å; V109-Y119 CarbonylContact C-O 2.97Å; V109-Y119 VanDerWaalsContact C-O 3.28Å; V109-Y119 WeakPolarHBondContact CA-O 2.6Å; L110-Y119 WeakPolarHBondContact CA-O 3.12Å; L110-Y119 PolarHBondContact N-O 2.74Å; L110-Y119 PolarHBondContact O-N 2.09Å; R117-Y119 HydrophobicContact CB-CE2 4.1Å; Y119-V124 VanDerWaalsContact CB-CG2 3.46Å; Y119-V124 HydrophobicContact CG-CG2 4.26Å; Y119-A127 HydrophobicContact CD1-CB 4.21Å; Y119-A127 HydrophobicContact CE1-CB 3.89Å; Y119-F151 AromaticContact CD2-CE1 3.99Å; Y119-F151 HydrophobicContact CD2-CE1 3.99Å; Y119-F151 AromaticContact CD2-CZ 3.91Å; Y119-F151 HydrophobicContact CD2-CZ 3.91Å; Y119-F151 HydrophobicContact CG-CZ 4.37Å; Y119-C153 HydrophobicContact CD2-CB 3.9Å; Y119-C153 HydrophobicContact CE2-CB 3.32Å; Y119-V155 WeakPolarHBondContact OH-CG2 3.18Å |
| 120 | H | 92.7 | Very high | 83.7 | Confident | 31 Ų | 31 | 53 Ų | 53 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | trans | -75.4 | 149.2 | 166.8 | -68.3 | 126.5 | 0 | 0 | 0 | 110.6 | C100 C103 R105 P106 E108 D122 C123 V124 | C100-H120 WeakPolarHBondContact CB-CE1 3.47Å; C100-H120 WeakPolarHBondContact CB-ND1 3.29Å; C100-H120 PolarHBondContact SG-N 2.95Å; C100-H120 PolarHBondContact SG-ND1 3.06Å; C103-H120 PolarHBondContact SG-CE1 3.36Å; C103-H120 PolarHBondContact SG-ND1 3.26Å; R105-H120 PolarHBondContact O-CE1 3.25Å; P106-H120 PolarHBondContact O-NE2 3.29Å; E108-H120 PolarHBondContact O-CD2 2.95Å; H120-D122 PolarHBondContact O-N 2.98Å; H120-C123 HydrophobicContact CB-CB 3.78Å; H120-C123 VanDerWaalsContact CB-SG 3.51Å; H120-C123 PolarHBondContact O-N 2.82Å; H120-V124 WeakPolarHBondContact O-CG2 2.31Å; H120-V124 PolarHBondContact O-N 3.16Å; H120-V124 VanDerWaalsContact O-N 3.16Å | ||
| 121 | S | 88.8 | Confident | 81.6 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -35.7 | -179.4 | -65 | 0 | 0 | 0 | 0 | 111.1 | C123 | S121-C123 VanDerWaalsContact C-N 3.27Š|
| 122 | D | 88.9 | Confident | 79.3 | Confident | 135 Ų | 135 | 54.6 Ų | 54.6 | 72% | 0.722 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -19.2 | -179.6 | -63.7 | -27.4 | 0 | 0 | 0 | 111 | H120 | H120-D122 PolarHBondContact O-N 2.98Š|
| 123 | C | 91.7 | Very high | 77.1 | Confident | 13 Ų | 13 | 60.6 Ų | 60.6 | 9% | 0.088 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -90.9 | -12.4 | -173.3 | -73 | 0 | 0 | 0 | 0 | 110.4 | Q102 H120 S121 Q125 E126 A127 | Q102-C123 HydrophobicContact CB-CB 3.63Å; Q102-C123 HydrophobicContact CG-CB 3.95Å; H120-C123 HydrophobicContact CB-CB 3.78Å; H120-C123 VanDerWaalsContact CB-SG 3.51Å; H120-C123 PolarHBondContact O-N 2.82Å; S121-C123 VanDerWaalsContact C-N 3.27Å; C123-Q125 VanDerWaalsContact C-N 3.32Å; C123-Q125 PolarHBondContact O-N 3.32Å; C123-E126 PolarHBondContact O-N 3.07Å; C123-A127 WeakPolarHBondContact O-CB 3.29Å; C123-A127 PolarHBondContact O-N 2.54Å |
| 124 | V | 86.9 | Confident | 75.2 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.3 | 0 | -176.4 | 173.7 | 0 | 0 | 0 | 0 | 109 | L110 Y119 H120 E126 A127 S128 F151 | L110-V124 HydrophobicContact CD1-CG2 3.84Å; Y119-V124 VanDerWaalsContact CB-CG2 3.46Å; Y119-V124 HydrophobicContact CG-CG2 4.26Å; H120-V124 WeakPolarHBondContact O-CG2 2.31Å; H120-V124 PolarHBondContact O-N 3.16Å; H120-V124 VanDerWaalsContact O-N 3.16Å; V124-E126 PolarHBondContact O-N 3.07Å; V124-A127 CarbonylContact O-C 2.84Å; V124-A127 PolarHBondContact O-N 3.29Å; V124-S128 WeakPolarHBondContact O-CB 3.33Å; V124-S128 PolarHBondContact O-N 3.02Å; V124-S128 PolarHBondContact O-OG 3.39Å; V124-F151 HydrophobicContact CB-CE2 4.44Å; V124-F151 HydrophobicContact CG1-CE2 3.82Å; V124-F151 HydrophobicContact CG1-CZ 4.31Å; V124-F151 HydrophobicContact CG2-CE2 3.73Å; V124-F151 HydrophobicContact CG2-CZ 3.73Å |
| 125 | Q | 78.9 | Confident | 73.4 | Confident | 139 Ų | 139 | 62.6 Ų | 62.6 | 65% | 0.65 | 35% | 0.349 | S | S | * | . | H | α-helix | 0 | -30.7 | 0 | -70 | 175.3 | 3.9 | 0 | 0 | 111 | C123 A127 S128 | C123-Q125 VanDerWaalsContact C-N 3.32Å; C123-Q125 PolarHBondContact O-N 3.32Å; Q125-A127 PolarHBondContact O-N 3.31Å; Q125-S128 VanDerWaalsContact CA-OG 3.24Å; Q125-S128 WeakPolarHBondContact CA-OG 3.43Å; Q125-S128 PolarHBondContact O-N 3.2Å; Q125-S128 PolarHBondContact O-OG 3.07Å | |
| 126 | E | 77.4 | Confident | 71.3 | Confident | 143 Ų | 143 | 71.4 Ų | 71.4 | 67% | 0.668 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -77.2 | -25.4 | 178.8 | -70.1 | -179.1 | -172.4 | 0 | 0 | 111.2 | C123 V124 S128 | C123-E126 PolarHBondContact O-N 3.07Å; V124-E126 PolarHBondContact O-N 3.07Å; E126-S128 VanDerWaalsContact C-N 3.35Å |
| 127 | A | 70.7 | Confident | 69.2 | Low | 24 Ų | 24 | 74.7 Ų | 74.7 | 20% | 0.198 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -85.7 | -18.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q102 Y119 C123 V124 Q125 G129 P154 | Q102-A127 HydrophobicContact CG-CB 4.49Å; Y119-A127 HydrophobicContact CD1-CB 4.21Å; Y119-A127 HydrophobicContact CE1-CB 3.89Å; C123-A127 WeakPolarHBondContact O-CB 3.29Å; C123-A127 PolarHBondContact O-N 2.54Å; V124-A127 CarbonylContact O-C 2.84Å; V124-A127 PolarHBondContact O-N 3.29Å; Q125-A127 PolarHBondContact O-N 3.31Å; A127-G129 VanDerWaalsContact C-N 3.35Å; A127-G129 PolarHBondContact O-N 3.4Å; A127-G129 VanDerWaalsContact O-N 3.12Å; A127-P154 HydrophobicContact CB-CB 4.49Å; A127-P154 HydrophobicContact CB-CG 3.8Å |
| 128 | S | 64.3 | Low | 67 | Low | 23 Ų | 23 | 77.9 Ų | 77.9 | 16% | 0.161 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -92 | 0 | -175.5 | 38.1 | 0 | 0 | 0 | 0 | 110.1 | V124 Q125 E126 | V124-S128 WeakPolarHBondContact O-CB 3.33Å; V124-S128 PolarHBondContact O-N 3.02Å; V124-S128 PolarHBondContact O-OG 3.39Å; Q125-S128 VanDerWaalsContact CA-OG 3.24Å; Q125-S128 WeakPolarHBondContact CA-OG 3.43Å; Q125-S128 PolarHBondContact O-N 3.2Å; Q125-S128 PolarHBondContact O-OG 3.07Å; E126-S128 VanDerWaalsContact C-N 3.35Å |
| 129 | G | 57.7 | Low | 64.4 | Low | 41 Ų | 41 | 89.1 Ų | 89.1 | 42% | 0.423 | 47% | 0.47 | S | S | . | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 112.7 | A127 N131 | A127-G129 VanDerWaalsContact C-N 3.35Å; A127-G129 PolarHBondContact O-N 3.4Å; A127-G129 VanDerWaalsContact O-N 3.12Å; G129-N131 PolarHBondContact O-N 3.21Å; G129-N131 VanDerWaalsContact O-N 3.16Å | |||
| 130 | P | 50.4 | Low | 61.8 | Low | 91 Ų | 91 | 92.8 Ų | 92.8 | 59% | 0.591 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 11.6 | -11.7 | 0 | 0 | 0 | 112 | R135 | P130-R135 PolarHBondContact O-NE 3.14Å; P130-R135 PolarHBondContact O-NH2 2.82Å | |
| 131 | N | 46.3 | Very low | 59.4 | Low | 155 Ų | 155 | 96.9 Ų | 96.9 | 83% | 0.829 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 28.7 | 0 | -81.5 | -12.8 | 0 | 0 | 0 | 109.8 | G129 P133 | G129-N131 PolarHBondContact O-N 3.21Å; G129-N131 VanDerWaalsContact O-N 3.16Å; N131-P133 VanDerWaalsContact O-CD 3.28Å; N131-P133 WeakPolarHBondContact O-CD 3.33Å | |
| 132 | S | 43 | Very low | 57.1 | Low | 36 Ų | 36 | 98.5 Ų | 98.5 | 25% | 0.252 | 53% | 0.532 | S | S | . | . | trans | -98.4 | 114.8 | 179.6 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | S134 R135 | S132-S134 PolarHBondContact O-N 2.93Å; S132-R135 PolarHBondContact O-N 3.1Å | ||
| 133 | P | 44.6 | Very low | 54.8 | Low | 126 Ų | 126 | 98.1 Ų | 98.1 | 82% | 0.818 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -42.4 | 0 | 175.8 | 7.9 | -5.6 | 0 | 0 | 0 | 111.9 | N131 R135 | N131-P133 VanDerWaalsContact O-CD 3.28Å; N131-P133 WeakPolarHBondContact O-CD 3.33Å; P133-R135 PolarHBondContact O-N 2.86Å |
| 134 | S | 48.7 | Very low | 52.4 | Low | 30 Ų | 30 | 105.3 Ų | 105.3 | 21% | 0.21 | 56% | 0.562 | C | S | . | * | G | 310 helix | 0 | 0 | 0 | -150.2 | 0 | 0 | 0 | 0 | 110 | S132 K136 S137 | S132-S134 PolarHBondContact O-N 2.93Å; S134-K136 PolarHBondContact O-N 2.99Å; S134-S137 PolarHBondContact O-N 3.23Å | |
| 135 | R | 48.6 | Very low | 50 | Low | 175 Ų | 175 | 112.4 Ų | 112.4 | 66% | 0.66 | 60% | 0.599 | S | S | * | * | G | 310 helix | 0 | 0 | 0 | -100.7 | -166 | -125.8 | -111.9 | 0.6 | 110.1 | P130 S132 P133 | P130-R135 PolarHBondContact O-NE 3.14Å; P130-R135 PolarHBondContact O-NH2 2.82Å; S132-R135 PolarHBondContact O-N 3.1Å; P133-R135 PolarHBondContact O-N 2.86Å | |
| 136 | K | 47 | Very low | 48.3 | Very low | 210 Ų | 210 | 109.4 Ų | 109.4 | 91% | 0.913 | 61% | 0.605 | S | S | * | * | S | Bend | 0 | 0 | 0 | -73.7 | -179.2 | -176 | 176.6 | 0 | 110.1 | S134 | S134-K136 PolarHBondContact O-N 2.99Š| |
| 137 | S | 47.3 | Very low | 46.7 | Very low | 97 Ų | 97 | 110.4 Ų | 110.4 | 68% | 0.678 | 61% | 0.61 | S | S | * | * | S | Bend | 0 | 24.3 | 0 | 174 | 0 | 0 | 0 | 0 | 109.5 | S134 | S134-S137 PolarHBondContact O-N 3.23Š| |
| 138 | M | 47 | Very low | 45.7 | Very low | 81 Ų | 81 | 115.2 Ų | 115.2 | 40% | 0.399 | 63% | 0.629 | S | S | . | * | trans | -131.2 | 55.5 | 175.6 | -93.7 | -157.1 | -56.6 | 0 | 0 | 108.9 | S140 | M138-S140 PolarHBondContact O-N 3.41Š| ||
| 139 | R | 37.6 | Very low | 45.3 | Very low | 237 Ų | 237 | 119.9 Ų | 119.9 | 89% | 0.894 | 65% | 0.652 | S | S | * | * | trans | -39.6 | 96.7 | 155.5 | -136.7 | 176.8 | -123.3 | -143.9 | -0.5 | 111.3 | ||||
| 140 | S | 39.5 | Very low | 46 | Very low | 79 Ų | 79 | 123.5 Ų | 123.5 | 55% | 0.552 | 66% | 0.661 | S | S | * | * | trans | 18.9 | 0 | 156.3 | -108.7 | 0 | 0 | 0 | 0 | 111.7 | M138 T142 | M138-S140 PolarHBondContact O-N 3.41Å; S140-T142 PolarHBondContact O-N 3.41Å; S140-T142 PolarHBondContact O-OG1 3.05Å | ||
| 141 | P | 42.6 | Very low | 47.7 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 77% | 0.766 | 64% | 0.641 | S | S | * | * | 0 | 0 | 0 | -3.8 | 14.8 | 0 | 0 | 0 | 111.8 | L143 | P141-L143 PolarHBondContact O-N 3.22Š| |||
| 142 | T | 40.1 | Very low | 49.7 | Very low | 105 Ų | 105 | 115.2 Ų | 115.2 | 64% | 0.644 | 61% | 0.612 | S | S | * | * | 0 | 80.9 | 0 | 37.2 | 0 | 0 | 0 | 0 | 111 | S140 H144 | S140-T142 PolarHBondContact O-N 3.41Å; S140-T142 PolarHBondContact O-OG1 3.05Å; T142-H144 PolarHBondContact O-N 3.03Å | |||
| 143 | L | 40.4 | Very low | 52 | Low | 128 Ų | 128 | 113.5 Ų | 113.5 | 67% | 0.67 | 60% | 0.6 | S | S | * | * | trans | -10.5 | 0 | 153.2 | -98.3 | 164.2 | 0 | 0 | 0 | 111.6 | P141 D145 E148 | P141-L143 PolarHBondContact O-N 3.22Å; L143-D145 VanDerWaalsContact C-N 3.32Å; L143-E148 HydrophobicContact CD2-CG 3.66Å; L143-E148 CovalentContact CD2-OE1 1.72Å; L143-E148 WeakPolarHBondContact CD2-OE1 3.48Å; L143-E148 WeakPolarHBondContact CG-OE1 3.34Å | ||
| 144 | H | 40.9 | Very low | 53.9 | Low | 164 Ų | 164 | 108.5 Ų | 108.5 | 76% | 0.759 | 57% | 0.567 | S | S | * | * | 0 | 89.3 | 0 | -118.5 | -48.7 | 0 | 0 | 0 | 111 | T142 G146 | T142-H144 PolarHBondContact O-N 3.03Å; H144-G146 PolarHBondContact O-N 3.2Å | |||
| 145 | D | 36.8 | Very low | 55.7 | Low | 158 Ų | 158 | 107.8 Ų | 107.8 | 85% | 0.845 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.2 | 0 | 139.3 | -98.4 | -16.7 | 0 | 0 | 0 | 111.4 | L143 | L143-D145 VanDerWaalsContact C-N 3.32Š|
| 146 | G | 42.8 | Very low | 57.5 | Low | 76 Ų | 76 | 100.3 Ų | 100.3 | 78% | 0.784 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.9 | H144 | H144-G146 PolarHBondContact O-N 3.2Š| |
| 147 | Q | 43.5 | Very low | 59.1 | Low | 164 Ų | 164 | 94.3 Ų | 94.3 | 77% | 0.766 | 51% | 0.511 | S | S | * | . | 0 | 34.1 | 0 | -158.8 | 157.1 | -23.9 | 0 | 0 | 110.1 | |||||
| 148 | E | 51.6 | Low | 60.3 | Low | 126 Ų | 126 | 93.5 Ų | 93.5 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | trans | -79.6 | 0 | -175.1 | -59 | -171.8 | 167.8 | 0 | 0 | 110 | L143 | L143-E148 HydrophobicContact CD2-CG 3.66Å; L143-E148 CovalentContact CD2-OE1 1.72Å; L143-E148 WeakPolarHBondContact CD2-OE1 3.48Å; L143-E148 WeakPolarHBondContact CG-OE1 3.34Å | ||
| 149 | D | 55.8 | Low | 61.2 | Low | 120 Ų | 120 | 98.1 Ų | 98.1 | 64% | 0.642 | 52% | 0.518 | S | S | * | . | S | Bend | 0 | 19.8 | 0 | -68.8 | -24.1 | 0 | 0 | 0 | 109.5 | L113 | L113-D149 WeakPolarHBondContact CD1-O 3.28Å; L113-D149 WeakPolarHBondContact CD2-O 3.08Å; L113-D149 WeakPolarHBondContact CG-O 3.41Å | |
| 150 | N | 72.6 | Confident | 62.5 | Low | 117 Ų | 117 | 88.8 Ų | 88.8 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | trans | -118.6 | 45.9 | -178.7 | -77.7 | -0.2 | 0 | 0 | 0 | 109.9 | L113 T152 | L113-N150 HydrophobicContact CD1-CB 4.01Å; N150-T152 PolarHBondContact O-N 3.29Å | ||
| 151 | F | 85.8 | Confident | 63.7 | Low | 36 Ų | 36 | 92 Ų | 92 | 16% | 0.158 | 49% | 0.493 | C | S | . | . | trans | -82.5 | 123.9 | 179.4 | 169.3 | -107.6 | 0 | 0 | 0 | 110.4 | L110 R111 C112 L113 Y119 V124 C153 | L110-F151 HydrophobicContact CB-CD1 3.79Å; L110-F151 HydrophobicContact CB-CD2 4.44Å; L110-F151 HydrophobicContact CB-CE1 3.92Å; L110-F151 HydrophobicContact CB-CG 4.07Å; L110-F151 HydrophobicContact CB-CZ 4.31Å; L110-F151 HydrophobicContact CD1-CD2 4.19Å; L110-F151 HydrophobicContact CD1-CE2 4.19Å; R111-F151 WeakPolarHBondContact O-CD1 3.13Å; C112-F151 CarbonylContact C-O 1.73Å; C112-F151 WeakPolarHBondContact CA-O 3.39Å; C112-F151 HydrophobicContact CB-CD1 4.39Å; C112-F151 HydrophobicContact CB-CE1 4.39Å; L113-F151 WeakPolarHBondContact CG-O 3.19Å; L113-F151 PolarHBondContact N-O 3.32Å; Y119-F151 AromaticContact CD2-CE1 3.99Å; Y119-F151 HydrophobicContact CD2-CE1 3.99Å; Y119-F151 AromaticContact CD2-CZ 3.91Å; Y119-F151 HydrophobicContact CD2-CZ 3.91Å; Y119-F151 HydrophobicContact CG-CZ 4.37Å; V124-F151 HydrophobicContact CB-CE2 4.44Å; V124-F151 HydrophobicContact CG1-CE2 3.82Å; V124-F151 HydrophobicContact CG1-CZ 4.31Å; V124-F151 HydrophobicContact CG2-CE2 3.73Å; V124-F151 HydrophobicContact CG2-CZ 3.73Å; F151-C153 HydrophobicContact CE1-CB 4.05Å; F151-C153 HydrophobicContact CZ-CB 4.25Å | ||
| 152 | T | 88.3 | Confident | 64.7 | Low | 36 Ų | 36 | 90.8 Ų | 90.8 | 22% | 0.221 | 49% | 0.486 | C | S | . | . | trans | -110.8 | 122.9 | 171.8 | -57.3 | 0 | 0 | 0 | 0 | 109.4 | D114 N150 C156 E157 | D114-T152 VanDerWaalsContact OD2-CG2 3.26Å; D114-T152 WeakPolarHBondContact OD2-CG2 3.44Å; N150-T152 PolarHBondContact O-N 3.29Å; T152-C156 HydrophobicContact CG2-CB 3.52Å; T152-E157 HydrophobicContact CG2-CG 3.71Å | ||
| 153 | C | 89.6 | Confident | 66.1 | Low | 0 Ų | 0 | 90.4 Ų | 90.4 | 0% | 0 | 48% | 0.477 | C | S | . | . | trans | -68.1 | 156.8 | -173.9 | 72.3 | 0 | 0 | 0 | 0 | 110.9 | C112 C115 Y119 F151 V155 C156 E157 | C112-C153 HydrophobicContact CB-CB 3.78Å; C112-C153 PolarHBondContact SG-N 3.23Å; C112-C153 PolarHBondContact SG-SG 3.33Å; C115-C153 PolarHBondContact SG-SG 2.66Å; Y119-C153 HydrophobicContact CD2-CB 3.9Å; Y119-C153 HydrophobicContact CE2-CB 3.32Å; F151-C153 HydrophobicContact CE1-CB 4.05Å; F151-C153 HydrophobicContact CZ-CB 4.25Å; C153-V155 PolarHBondContact O-N 2.6Å; C153-V155 VanDerWaalsContact O-N 3.12Å; C153-C156 PolarHBondContact O-N 2.8Å; C153-C156 VanDerWaalsContact O-N 3.09Å; C153-C156 VanDerWaalsContact SG-CB 3.55Å; C153-C156 PolarHBondContact SG-N 2.92Å; C153-C156 PolarHBondContact SG-SG 2.94Å; C153-E157 WeakPolarHBondContact O-CB 3.47Å; C153-E157 WeakPolarHBondContact O-CG 3.47Å; C153-E157 PolarHBondContact O-N 2.97Å | ||
| 154 | P | 86.1 | Confident | 67.9 | Low | 21 Ų | 21 | 86 Ų | 86 | 14% | 0.136 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -55.5 | -28.3 | -178.3 | -25.6 | 33.7 | 0 | 0 | 0 | 111.8 | A127 S158 | A127-P154 HydrophobicContact CB-CB 4.49Å; A127-P154 HydrophobicContact CB-CG 3.8Å; P154-S158 PolarHBondContact O-N 2.93Å; P154-S158 PolarHBondContact O-OG 3.06Å; P154-S158 VanDerWaalsContact O-OG 3.09Å |
| 155 | V | 85.5 | Confident | 69.9 | Low | 15 Ų | 15 | 80.9 Ų | 80.9 | 9% | 0.091 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -75.4 | -40.9 | -179 | 177.7 | 0 | 0 | 0 | 0 | 109.3 | Y119 C153 E157 S158 M231 | Y119-V155 WeakPolarHBondContact OH-CG2 3.18Å; C153-V155 PolarHBondContact O-N 2.6Å; C153-V155 VanDerWaalsContact O-N 3.12Å; V155-E157 PolarHBondContact O-N 3.18Å; V155-S158 CarbonylContact O-C 3.14Å; V155-S158 PolarHBondContact O-N 3.22Å; V155-S158 PolarHBondContact O-OG 3.41Å; V155-M231 HydrophobicContact CG1-CG 3.98Å; V155-M231 HydrophobicContact CG1-SD 3.79Å |
| 156 | C | 86.2 | Confident | 72.2 | Confident | 18 Ų | 18 | 80.9 Ų | 80.9 | 12% | 0.122 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -75.4 | -27 | -179.4 | -71.7 | 0 | 0 | 0 | 0 | 110 | D114 C115 T152 C153 S158 R159 | D114-C156 HydrophobicContact CB-CB 4.01Å; C115-C156 WeakPolarHBondContact CB-SG 3.48Å; C115-C156 PolarHBondContact SG-SG 3.36Å; T152-C156 HydrophobicContact CG2-CB 3.52Å; C153-C156 PolarHBondContact O-N 2.8Å; C153-C156 VanDerWaalsContact O-N 3.09Å; C153-C156 VanDerWaalsContact SG-CB 3.55Å; C153-C156 PolarHBondContact SG-N 2.92Å; C153-C156 PolarHBondContact SG-SG 2.94Å; C156-S158 PolarHBondContact O-N 2.53Å; C156-R159 VanDerWaalsContact O-CG 3.25Å; C156-R159 WeakPolarHBondContact O-CG 3.09Å; C156-R159 PolarHBondContact O-N 2.47Å |
| 157 | E | 82.1 | Confident | 74.3 | Confident | 85 Ų | 85 | 85 Ų | 85 | 40% | 0.397 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.5 | -28.3 | 178.9 | -76.4 | 179.4 | -177.8 | 0 | 0 | 110.9 | T152 C153 V155 R159 | T152-E157 HydrophobicContact CG2-CG 3.71Å; C153-E157 WeakPolarHBondContact O-CB 3.47Å; C153-E157 WeakPolarHBondContact O-CG 3.47Å; C153-E157 PolarHBondContact O-N 2.97Å; V155-E157 PolarHBondContact O-N 3.18Å; E157-R159 VanDerWaalsContact C-N 3.26Å; E157-R159 PolarHBondContact O-N 3.5Å |
| 158 | S | 71.6 | Confident | 76.3 | Confident | 79 Ų | 79 | 80 Ų | 80 | 55% | 0.552 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -95.2 | 0 | 177.5 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | P154 V155 C156 | P154-S158 PolarHBondContact O-N 2.93Å; P154-S158 PolarHBondContact O-OG 3.06Å; P154-S158 VanDerWaalsContact O-OG 3.09Å; V155-S158 CarbonylContact O-C 3.14Å; V155-S158 PolarHBondContact O-N 3.22Å; V155-S158 PolarHBondContact O-OG 3.41Å; C156-S158 PolarHBondContact O-N 2.53Å |
| 159 | R | 66.6 | Low | 78.1 | Confident | 178 Ų | 178 | 74.1 Ų | 74.1 | 67% | 0.672 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | 0 | 133.1 | 0 | -78.6 | -173.2 | -179.4 | -134 | -1 | 110.7 | C156 E157 K161 | C156-R159 VanDerWaalsContact O-CG 3.25Å; C156-R159 WeakPolarHBondContact O-CG 3.09Å; C156-R159 PolarHBondContact O-N 2.47Å; E157-R159 VanDerWaalsContact C-N 3.26Å; E157-R159 PolarHBondContact O-N 3.5Å; R159-K161 PolarHBondContact O-N 3.29Å; R159-K161 VanDerWaalsContact O-N 3.09Å | |
| 160 | P | 65 | Low | 79.8 | Confident | 42 Ų | 42 | 72.5 Ų | 72.5 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 122.2 | -178.1 | 11.6 | -11.2 | 0 | 0 | 0 | 111.8 | A225 E227 M231 | P160-A225 HydrophobicContact CB-CB 4.09Å; P160-E227 HydrophobicContact CB-CB 3.57Å; P160-E227 HydrophobicContact CB-CG 4.29Å; P160-M231 HydrophobicContact CG-CE 4.16Å |
| 161 | K | 64.4 | Low | 80.4 | Confident | 147 Ų | 147 | 70.1 Ų | 70.1 | 64% | 0.639 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -82 | 0 | 174.6 | -66.1 | 178.1 | -174.8 | 178.4 | 0 | 110.4 | R159 | R159-K161 PolarHBondContact O-N 3.29Å; R159-K161 VanDerWaalsContact O-N 3.09Å |
| 162 | C | 62.8 | Low | 80.6 | Confident | 91 Ų | 91 | 68.7 Ų | 68.7 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | 0 | 116.7 | 0 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | F164 | C162-F164 PolarHBondContact SG-O 3.46Š| |
| 163 | E | 69.4 | Low | 80.8 | Confident | 98 Ų | 98 | 67 Ų | 67 | 46% | 0.458 | 32% | 0.321 | S | S | . | . | trans | -116.9 | 0 | 179.1 | -69.9 | -177.8 | 176.4 | 0 | 0 | 110.3 | ||||
| 164 | F | 79.1 | Confident | 80.7 | Confident | 34 Ų | 34 | 68.6 Ų | 68.6 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | S | Bend | 0 | 0 | 0 | -58.9 | -72.8 | 0 | 0 | 0 | 108.9 | C162 Q168 I169 L172 L226 I268 T272 | C162-F164 PolarHBondContact SG-O 3.46Å; F164-Q168 HydrophobicContact CB-CB 4.18Å; F164-I169 HydrophobicContact CB-CD1 4.4Å; F164-I169 HydrophobicContact CB-CG1 3.66Å; F164-L172 HydrophobicContact CD1-CD1 4.33Å; F164-L172 HydrophobicContact CD2-CD1 4.27Å; F164-L172 HydrophobicContact CE1-CD1 4.48Å; F164-L172 HydrophobicContact CE2-CD1 4.42Å; F164-L172 HydrophobicContact CG-CD1 4.22Å; F164-L226 HydrophobicContact CD2-CD1 3.77Å; F164-L226 HydrophobicContact CD2-CG 4.28Å; F164-L226 HydrophobicContact CE2-CD1 3.53Å; F164-I268 HydrophobicContact CE2-CG2 4.36Å; F164-I268 HydrophobicContact CZ-CG2 4.42Å; F164-T272 HydrophobicContact CE1-CG2 4.18Å; F164-T272 WeakPolarHBondContact CE1-OG1 3.34Å; F164-T272 WeakPolarHBondContact CZ-OG1 3.45Å | |
| 165 | S | 82.6 | Confident | 80.6 | Confident | 58 Ų | 58 | 69.7 Ų | 69.7 | 41% | 0.406 | 33% | 0.331 | S | S | . | . | 0 | 152.8 | 0 | 80.9 | 0 | 0 | 0 | 0 | 111.7 | K167 Q168 I169 | S165-K167 PolarHBondContact O-N 3Å; S165-Q168 WeakPolarHBondContact O-CB 3.41Å; S165-Q168 PolarHBondContact O-N 2.4Å; S165-Q168 WeakPolarHBondContact OG-CB 3.16Å; S165-Q168 WeakPolarHBondContact OG-CG 3.5Å; S165-Q168 PolarHBondContact OG-N 2.79Å; S165-Q168 VanDerWaalsContact OG-N 3.07Å; S165-Q168 PolarHBondContact OG-OE1 3.23Å; S165-I169 WeakPolarHBondContact O-CG1 3.42Å; S165-I169 PolarHBondContact O-N 3.39Å | |||
| 166 | R | 85.3 | Confident | 80.7 | Confident | 157 Ų | 157 | 69.1 Ų | 69.1 | 59% | 0.592 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -54.3 | -39.6 | -178.6 | -80.4 | -171.7 | -178.2 | 169.9 | -1.5 | 111 | Q168 I169 R170 | R166-Q168 PolarHBondContact O-N 2.75Å; R166-I169 WeakPolarHBondContact O-CB 3.24Å; R166-I169 PolarHBondContact O-N 2.86Å; R166-R170 PolarHBondContact O-N 3.15Å |
| 167 | K | 86.4 | Confident | 80.7 | Confident | 162 Ų | 162 | 68.4 Ų | 68.4 | 70% | 0.704 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.8 | -39.1 | 178.8 | -73.5 | -175.7 | -174.4 | 172.5 | 0 | 111.1 | S165 I169 R170 K171 | S165-K167 PolarHBondContact O-N 3Å; K167-I169 PolarHBondContact O-N 3.12Å; K167-R170 PolarHBondContact O-N 2.98Å; K167-K171 WeakPolarHBondContact O-CG 3.02Å; K167-K171 PolarHBondContact O-N 3.17Å; K167-K171 VanDerWaalsContact O-N 3.11Å |
| 168 | Q | 86.4 | Confident | 80.8 | Confident | 61 Ų | 61 | 68.3 Ų | 68.3 | 29% | 0.285 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 178.7 | -75.7 | 175.7 | -40.5 | 0 | 0 | 110.6 | F164 S165 R166 R170 K171 L172 S400 | F164-Q168 HydrophobicContact CB-CB 4.18Å; S165-Q168 WeakPolarHBondContact O-CB 3.41Å; S165-Q168 PolarHBondContact O-N 2.4Å; S165-Q168 WeakPolarHBondContact OG-CB 3.16Å; S165-Q168 WeakPolarHBondContact OG-CG 3.5Å; S165-Q168 PolarHBondContact OG-N 2.79Å; S165-Q168 VanDerWaalsContact OG-N 3.07Å; S165-Q168 PolarHBondContact OG-OE1 3.23Å; R166-Q168 PolarHBondContact O-N 2.75Å; Q168-R170 PolarHBondContact O-N 2.34Å; Q168-K171 PolarHBondContact O-N 3.34Å; Q168-L172 WeakPolarHBondContact O-CB 3.44Å; Q168-L172 VanDerWaalsContact O-CG 3.23Å; Q168-L172 WeakPolarHBondContact O-CG 3.26Å; Q168-L172 PolarHBondContact O-N 2.88Å; Q168-S400 PolarHBondContact NE2-O 2.31Å |
| 169 | I | 89.6 | Confident | 81.2 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 179.2 | -68.8 | 172.5 | 0 | 0 | 0 | 109.7 | F164 S165 R166 K167 K171 L172 L173 A224 L226 | F164-I169 HydrophobicContact CB-CD1 4.4Å; F164-I169 HydrophobicContact CB-CG1 3.66Å; S165-I169 WeakPolarHBondContact O-CG1 3.42Å; S165-I169 PolarHBondContact O-N 3.39Å; R166-I169 WeakPolarHBondContact O-CB 3.24Å; R166-I169 PolarHBondContact O-N 2.86Å; K167-I169 PolarHBondContact O-N 3.12Å; I169-K171 PolarHBondContact O-N 3.07Å; I169-L172 PolarHBondContact O-N 2.48Å; I169-L173 HydrophobicContact CG2-CD1 3.7Å; I169-L173 HydrophobicContact CG2-CG 4.06Å; I169-L173 WeakPolarHBondContact O-CB 2.88Å; I169-L173 WeakPolarHBondContact O-CG 3.41Å; I169-L173 PolarHBondContact O-N 2.82Å; I169-A224 WeakPolarHBondContact CD1-O 3.35Å; I169-L226 HydrophobicContact CG2-CD2 4.22Å |
| 170 | R | 89.6 | Confident | 81.9 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 179.5 | -178.8 | -175.6 | -68.6 | 159.7 | -0.7 | 110.8 | R166 K167 Q168 L172 L173 E174 I218 K219 D220 | R166-R170 PolarHBondContact O-N 3.15Å; K167-R170 PolarHBondContact O-N 2.98Å; Q168-R170 PolarHBondContact O-N 2.34Å; R170-L172 VanDerWaalsContact C-N 3.31Å; R170-L172 PolarHBondContact O-N 3.05Å; R170-L173 PolarHBondContact O-N 3.17Å; R170-E174 WeakPolarHBondContact O-CB 3.04Å; R170-E174 WeakPolarHBondContact O-CG 3.45Å; R170-E174 PolarHBondContact O-N 2.8Å; R170-I218 WeakPolarHBondContact CG-O 3.09Å; R170-K219 PolarHBondContact NE-O 3.46Å; R170-D220 PolarHBondContact NH2-O 3.41Å |
| 171 | K | 86.6 | Confident | 82.9 | Confident | 66 Ų | 66 | 63.3 Ų | 63.3 | 29% | 0.287 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.1 | -42.8 | -178 | -75.4 | -176.2 | -177.2 | 176.7 | 0 | 110.6 | K167 Q168 I169 L173 E174 F175 G402 L406 | K167-K171 WeakPolarHBondContact O-CG 3.02Å; K167-K171 PolarHBondContact O-N 3.17Å; K167-K171 VanDerWaalsContact O-N 3.11Å; Q168-K171 PolarHBondContact O-N 3.34Å; I169-K171 PolarHBondContact O-N 3.07Å; K171-L173 PolarHBondContact O-N 2.25Å; K171-E174 WeakPolarHBondContact O-CB 3.2Å; K171-E174 PolarHBondContact O-N 3.17Å; K171-F175 WeakPolarHBondContact O-CD2 3.47Å; K171-F175 PolarHBondContact O-N 3.41Å; K171-G402 PolarHBondContact NZ-O 1.28Å; K171-L406 HydrophobicContact CB-CD1 3.8Å; K171-L406 HydrophobicContact CD-CD1 3.55Å; K171-L406 HydrophobicContact CG-CD1 4.19Å |
| 172 | L | 89.9 | Confident | 83.7 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | -179.8 | -74.2 | 170.7 | 0 | 0 | 0 | 110.6 | F164 Q168 I169 R170 E174 F175 A176 L226 I268 T272 Y275 I276 | F164-L172 HydrophobicContact CD1-CD1 4.33Å; F164-L172 HydrophobicContact CD2-CD1 4.27Å; F164-L172 HydrophobicContact CE1-CD1 4.48Å; F164-L172 HydrophobicContact CE2-CD1 4.42Å; F164-L172 HydrophobicContact CG-CD1 4.22Å; Q168-L172 WeakPolarHBondContact O-CB 3.44Å; Q168-L172 VanDerWaalsContact O-CG 3.23Å; Q168-L172 WeakPolarHBondContact O-CG 3.26Å; Q168-L172 PolarHBondContact O-N 2.88Å; I169-L172 PolarHBondContact O-N 2.48Å; R170-L172 VanDerWaalsContact C-N 3.31Å; R170-L172 PolarHBondContact O-N 3.05Å; L172-E174 PolarHBondContact O-N 3.31Å; L172-F175 WeakPolarHBondContact O-CB 2.94Å; L172-F175 PolarHBondContact O-N 3.01Å; L172-A176 WeakPolarHBondContact O-CB 3.06Å; L172-A176 PolarHBondContact O-N 3.16Å; L172-L226 HydrophobicContact CB-CD2 4.3Å; L172-L226 HydrophobicContact CD1-CD1 4.47Å; L172-I268 HydrophobicContact CB-CD1 4.32Å; L172-I268 HydrophobicContact CD1-CG2 3.98Å; L172-I268 HydrophobicContact CD2-CG2 4.35Å; L172-T272 HydrophobicContact CD1-CG2 4.24Å; L172-T272 HydrophobicContact CD2-CG2 3.88Å; L172-Y275 HydrophobicContact CD2-CD1 4.33Å; L172-I276 HydrophobicContact CD2-CD1 4.22Å; L172-I276 HydrophobicContact CD2-CG1 4.12Å |
| 173 | L | 91.6 | Very high | 84.6 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.2 | -34 | 179.7 | -72.3 | -179.2 | 0 | 0 | 0 | 111.2 | I169 R170 K171 F175 A176 T177 I218 Y223 L226 F229 L265 | I169-L173 HydrophobicContact CG2-CD1 3.7Å; I169-L173 HydrophobicContact CG2-CG 4.06Å; I169-L173 WeakPolarHBondContact O-CB 2.88Å; I169-L173 WeakPolarHBondContact O-CG 3.41Å; I169-L173 PolarHBondContact O-N 2.82Å; R170-L173 PolarHBondContact O-N 3.17Å; K171-L173 PolarHBondContact O-N 2.25Å; L173-F175 PolarHBondContact O-N 2.84Å; L173-A176 PolarHBondContact O-N 3.13Å; L173-T177 WeakPolarHBondContact O-CB 3.22Å; L173-T177 VanDerWaalsContact O-CG2 3.28Å; L173-T177 WeakPolarHBondContact O-CG2 1.97Å; L173-T177 PolarHBondContact O-N 3.46Å; L173-T177 PolarHBondContact O-OG1 3.29Å; L173-I218 HydrophobicContact CB-CD1 4.42Å; L173-I218 HydrophobicContact CB-CG1 4.38Å; L173-I218 HydrophobicContact CB-CG2 3.98Å; L173-I218 HydrophobicContact CD1-CG1 4.3Å; L173-Y223 HydrophobicContact CD1-CD2 3.56Å; L173-Y223 HydrophobicContact CD1-CE2 4.28Å; L173-Y223 HydrophobicContact CD1-CG 4.07Å; L173-L226 HydrophobicContact CD2-CD2 3.55Å; L173-L226 HydrophobicContact CG-CD2 3.85Å; L173-F229 HydrophobicContact CD1-CB 3.94Å; L173-F229 HydrophobicContact CD1-CD2 4.43Å; L173-F229 HydrophobicContact CD1-CG 4.2Å; L173-F229 HydrophobicContact CD2-CB 3.92Å; L173-F229 HydrophobicContact CD2-CD1 3.65Å; L173-F229 HydrophobicContact CD2-CE1 4.27Å; L173-F229 HydrophobicContact CD2-CG 3.8Å; L173-L265 HydrophobicContact CD2-CD2 4.03Å |
| 174 | E | 88.2 | Confident | 85.2 | Confident | 34 Ų | 34 | 62.8 Ų | 62.8 | 16% | 0.159 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 175.8 | -77.8 | 178.5 | 177 | 0 | 0 | 110.6 | R170 K171 L172 T177 H178 I218 | R170-E174 WeakPolarHBondContact O-CB 3.04Å; R170-E174 WeakPolarHBondContact O-CG 3.45Å; R170-E174 PolarHBondContact O-N 2.8Å; K171-E174 WeakPolarHBondContact O-CB 3.2Å; K171-E174 PolarHBondContact O-N 3.17Å; L172-E174 PolarHBondContact O-N 3.31Å; E174-T177 PolarHBondContact O-OG1 3.28Å; E174-H178 WeakPolarHBondContact O-CB 3.03Å; E174-H178 PolarHBondContact O-N 3.42Å; E174-I218 HydrophobicContact CG-CG2 3.82Å |
| 175 | F | 84 | Confident | 85.3 | Confident | 43 Ų | 43 | 62.6 Ų | 62.6 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.7 | -44.6 | 179.4 | -85.6 | -76.2 | 0 | 0 | 0 | 110.2 | K171 L172 L173 T177 H178 Y275 L406 P407 | K171-F175 WeakPolarHBondContact O-CD2 3.47Å; K171-F175 PolarHBondContact O-N 3.41Å; L172-F175 WeakPolarHBondContact O-CB 2.94Å; L172-F175 PolarHBondContact O-N 3.01Å; L173-F175 PolarHBondContact O-N 2.84Å; F175-T177 PolarHBondContact O-N 3.28Å; F175-H178 WeakPolarHBondContact O-CB 2.28Å; F175-H178 PolarHBondContact O-N 3.13Å; F175-H178 VanDerWaalsContact O-N 3.14Å; F175-Y275 HydrophobicContact CB-CE1 4.45Å; F175-L406 HydrophobicContact CD1-CD2 4.08Å; F175-L406 HydrophobicContact CD2-CD1 4.02Å; F175-L406 HydrophobicContact CD2-CD2 3.29Å; F175-L406 HydrophobicContact CD2-CG 4.22Å; F175-L406 HydrophobicContact CE1-CD2 3.31Å; F175-L406 HydrophobicContact CE2-CB 3.47Å; F175-L406 VanDerWaalsContact CE2-CB 3.47Å; F175-L406 HydrophobicContact CE2-CD1 3.15Å; F175-L406 HydrophobicContact CE2-CD2 2.29Å; F175-L406 HydrophobicContact CE2-CG 3.07Å; F175-L406 HydrophobicContact CG-CD2 4.07Å; F175-L406 HydrophobicContact CZ-CB 3.35Å; F175-L406 HydrophobicContact CZ-CD1 3.96Å; F175-L406 HydrophobicContact CZ-CD2 2.3Å; F175-L406 HydrophobicContact CZ-CG 3.3Å; F175-P407 HydrophobicContact CE1-CG 4.36Å; F175-P407 HydrophobicContact CZ-CG 4.3Å |
| 176 | A | 87 | Confident | 85.4 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.3 | -31.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L172 L173 L180 E264 I268 Y275 | L172-A176 WeakPolarHBondContact O-CB 3.06Å; L172-A176 PolarHBondContact O-N 3.16Å; L173-A176 PolarHBondContact O-N 3.13Å; A176-L180 WeakPolarHBondContact O-CD1 2.8Å; A176-E264 HydrophobicContact CB-CB 4.21Å; A176-I268 HydrophobicContact CB-CD1 4.11Å; A176-Y275 WeakPolarHBondContact CA-OH 3.39Å; A176-Y275 VanDerWaalsContact CB-OH 3.29Å; A176-Y275 WeakPolarHBondContact CB-OH 3.07Å; A176-Y275 PolarHBondContact N-OH 2.83Å |
| 177 | T | 87.7 | Confident | 85.3 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -97 | -4.8 | -175.1 | 53 | 0 | 0 | 0 | 0 | 110.2 | L173 E174 F175 Q179 L180 R181 I218 F229 | L173-T177 WeakPolarHBondContact O-CB 3.22Å; L173-T177 VanDerWaalsContact O-CG2 3.28Å; L173-T177 WeakPolarHBondContact O-CG2 1.97Å; L173-T177 PolarHBondContact O-N 3.46Å; L173-T177 PolarHBondContact O-OG1 3.29Å; E174-T177 PolarHBondContact O-OG1 3.28Å; F175-T177 PolarHBondContact O-N 3.28Å; T177-Q179 PolarHBondContact O-N 3.46Å; T177-L180 PolarHBondContact O-N 3.43Å; T177-L180 VanDerWaalsContact O-N 3.17Å; T177-R181 WeakPolarHBondContact O-CB 2.72Å; T177-R181 WeakPolarHBondContact O-CG 3.29Å; T177-R181 PolarHBondContact O-N 2.87Å; T177-R181 PolarHBondContact O-NE 3.37Å; T177-I218 HydrophobicContact CG2-CD1 3.91Å; T177-F229 HydrophobicContact CG2-CE1 4.13Å; T177-F229 HydrophobicContact CG2-CE2 4.45Å; T177-F229 HydrophobicContact CG2-CZ 3.66Å |
| 178 | H | 83.9 | Confident | 85.1 | Confident | 82 Ų | 82 | 56 Ų | 56 | 38% | 0.38 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.1 | -47.4 | -176.6 | 179.1 | 70 | 0 | 0 | 0 | 111 | E174 F175 L180 R181 | E174-H178 WeakPolarHBondContact O-CB 3.03Å; E174-H178 PolarHBondContact O-N 3.42Å; F175-H178 WeakPolarHBondContact O-CB 2.28Å; F175-H178 PolarHBondContact O-N 3.13Å; F175-H178 VanDerWaalsContact O-N 3.14Å; H178-L180 VanDerWaalsContact C-N 3.26Å; H178-R181 PolarHBondContact ND1-NH2 3.29Å; H178-R181 PolarHBondContact O-N 2.86Å |
| 179 | Q | 78.6 | Confident | 85.1 | Confident | 94 Ų | 94 | 53.2 Ų | 53.2 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -27.4 | -179.6 | -66.5 | -64.9 | -13.8 | 0 | 0 | 110.7 | T177 R181 K182 Q183 | T177-Q179 PolarHBondContact O-N 3.46Å; Q179-R181 PolarHBondContact O-N 3.21Å; Q179-K182 PolarHBondContact O-N 3.19Å; Q179-K182 VanDerWaalsContact O-N 3.15Å; Q179-Q183 WeakPolarHBondContact O-CG 3.44Å |
| 180 | L | 82.9 | Confident | 84.9 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -71.5 | -23.6 | -178.8 | -68.6 | 173.9 | 0 | 0 | 0 | 111 | A176 T177 H178 K182 Q183 W186 F257 V261 | A176-L180 WeakPolarHBondContact O-CD1 2.8Å; T177-L180 PolarHBondContact O-N 3.43Å; T177-L180 VanDerWaalsContact O-N 3.17Å; H178-L180 VanDerWaalsContact C-N 3.26Å; L180-K182 PolarHBondContact O-N 2.94Å; L180-Q183 WeakPolarHBondContact O-CB 3.48Å; L180-Q183 PolarHBondContact O-N 3.42Å; L180-W186 HydrophobicContact CB-CE3 4.4Å; L180-W186 WeakPolarHBondContact O-CB 3.37Å; L180-F257 HydrophobicContact CB-CE2 4.06Å; L180-F257 HydrophobicContact CD1-CE2 4.32Å; L180-F257 HydrophobicContact CD1-CZ 4.47Å; L180-F257 HydrophobicContact CD2-CE2 4.3Å; L180-F257 HydrophobicContact CG-CE2 4.48Å; L180-V261 HydrophobicContact CD1-CG2 3.57Å |
| 181 | R | 84.6 | Confident | 84.4 | Confident | 81 Ų | 81 | 55.9 Ų | 55.9 | 31% | 0.306 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -77.8 | -15 | -178.1 | -73.4 | -173.7 | -78.2 | 171 | 2.1 | 110.5 | T177 H178 Q179 Q183 W186 | T177-R181 WeakPolarHBondContact O-CB 2.72Å; T177-R181 WeakPolarHBondContact O-CG 3.29Å; T177-R181 PolarHBondContact O-N 2.87Å; T177-R181 PolarHBondContact O-NE 3.37Å; H178-R181 PolarHBondContact ND1-NH2 3.29Å; H178-R181 PolarHBondContact O-N 2.86Å; Q179-R181 PolarHBondContact O-N 3.21Å; R181-Q183 VanDerWaalsContact C-N 3.3Å; R181-W186 HydrophobicContact CB-CD2 4.18Å; R181-W186 HydrophobicContact CB-CG 4.31Å; R181-W186 HydrophobicContact CG-CD2 3.66Å; R181-W186 HydrophobicContact CG-CE3 3.92Å; R181-W186 HydrophobicContact CG-CG 4.28Å; R181-W186 HydrophobicContact CG-CH2 3.84Å; R181-W186 HydrophobicContact CG-CZ2 3.62Å; R181-W186 HydrophobicContact CG-CZ3 3.98Å |
| 182 | K | 80.8 | Confident | 84.3 | Confident | 136 Ų | 136 | 52.9 Ų | 52.9 | 59% | 0.591 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -89 | -14.2 | 179.6 | -67.8 | -179.7 | -176.9 | 178.4 | 0 | 110.7 | Q179 L180 | Q179-K182 PolarHBondContact O-N 3.19Å; Q179-K182 VanDerWaalsContact O-N 3.15Å; L180-K182 PolarHBondContact O-N 2.94Å |
| 183 | Q | 81.7 | Confident | 84.1 | Confident | 99 Ų | 99 | 53.2 Ų | 53.2 | 46% | 0.463 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -75.8 | 141.4 | 179.7 | -62.3 | -73 | -22.4 | 0 | 0 | 110.7 | Q179 L180 R181 L185 W186 | Q179-Q183 WeakPolarHBondContact O-CG 3.44Å; L180-Q183 WeakPolarHBondContact O-CB 3.48Å; L180-Q183 PolarHBondContact O-N 3.42Å; R181-Q183 VanDerWaalsContact C-N 3.3Å; Q183-L185 PolarHBondContact O-N 2.94Å; Q183-L185 VanDerWaalsContact O-N 3.08Å; Q183-W186 PolarHBondContact O-N 2.67Å; Q183-W186 VanDerWaalsContact O-N 3.1Å |
| 184 | P | 82.4 | Confident | 83.6 | Confident | 89 Ų | 89 | 54.5 Ų | 54.5 | 58% | 0.578 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -52.4 | -24.3 | 179 | 17.9 | -27 | 0 | 0 | 0 | 111.8 | W186 K187 T188 | P184-W186 VanDerWaalsContact C-N 3.25Å; P184-W186 PolarHBondContact O-N 3.47Å; P184-K187 WeakPolarHBondContact O-CB 3.36Å; P184-K187 PolarHBondContact O-N 2.94Å; P184-K187 VanDerWaalsContact O-N 3.07Å; P184-T188 PolarHBondContact O-N 2.89Å; P184-T188 VanDerWaalsContact O-N 3.17Å; P184-T188 PolarHBondContact O-OG1 3.02Å; P184-T188 VanDerWaalsContact O-OG1 3.05Å |
| 185 | L | 82 | Confident | 83.3 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.7 | 0 | -176.1 | -70.2 | 172 | 0 | 0 | 0 | 110.8 | Q183 K187 T188 F189 E253 F256 | Q183-L185 PolarHBondContact O-N 2.94Å; Q183-L185 VanDerWaalsContact O-N 3.08Å; L185-K187 PolarHBondContact O-N 3.47Å; L185-T188 WeakPolarHBondContact O-CB 3.34Å; L185-T188 PolarHBondContact O-N 2.9Å; L185-T188 VanDerWaalsContact O-N 3.17Å; L185-F189 HydrophobicContact CD2-CE2 4.35Å; L185-F189 WeakPolarHBondContact O-CD2 3Å; L185-F189 PolarHBondContact O-N 3.25Å; L185-E253 HydrophobicContact CD2-CB 3.73Å; L185-E253 HydrophobicContact CD2-CG 4.08Å; L185-F256 HydrophobicContact CD1-CD1 3.98Å; L185-F256 HydrophobicContact CD1-CE1 4.46Å |
| 186 | W | 84.5 | Confident | 82.9 | Confident | 14 Ų | 14 | 62.3 Ų | 62.3 | 5% | 0.053 | 32% | 0.316 | C | S | . | . | H | α-helix | 0 | -34.3 | 0 | -172.3 | -89.2 | 0 | 0 | 0 | 111.3 | L180 R181 Q183 P184 T188 F189 I190 L211 Q215 F257 | L180-W186 HydrophobicContact CB-CE3 4.4Å; L180-W186 WeakPolarHBondContact O-CB 3.37Å; R181-W186 HydrophobicContact CB-CD2 4.18Å; R181-W186 HydrophobicContact CB-CG 4.31Å; R181-W186 HydrophobicContact CG-CD2 3.66Å; R181-W186 HydrophobicContact CG-CE3 3.92Å; R181-W186 HydrophobicContact CG-CG 4.28Å; R181-W186 HydrophobicContact CG-CH2 3.84Å; R181-W186 HydrophobicContact CG-CZ2 3.62Å; R181-W186 HydrophobicContact CG-CZ3 3.98Å; Q183-W186 PolarHBondContact O-N 2.67Å; Q183-W186 VanDerWaalsContact O-N 3.1Å; P184-W186 VanDerWaalsContact C-N 3.25Å; P184-W186 PolarHBondContact O-N 3.47Å; W186-T188 PolarHBondContact O-N 3.47Å; W186-F189 PolarHBondContact O-N 2.88Å; W186-I190 WeakPolarHBondContact O-CG1 3.49Å; W186-I190 PolarHBondContact O-N 2.74Å; W186-L211 HydrophobicContact CB-CD1 4.42Å; W186-L211 HydrophobicContact CD2-CD1 3.96Å; W186-L211 HydrophobicContact CE3-CD1 4.02Å; W186-L211 HydrophobicContact CE3-CD2 4.17Å; W186-L211 HydrophobicContact CG-CD1 4.14Å; W186-L211 HydrophobicContact CH2-CD2 4.23Å; W186-L211 HydrophobicContact CZ2-CB 4.35Å; W186-L211 HydrophobicContact CZ3-CD2 3.93Å; W186-L211 VanDerWaalsContact O-CD1 3.26Å; W186-L211 WeakPolarHBondContact O-CD1 3.47Å; W186-Q215 HydrophobicContact CZ2-CB 4.1Å; W186-Q215 HydrophobicContact CZ2-CG 4.48Å; W186-F257 HydrophobicContact CE3-CE2 4.03Å; W186-F257 AromaticContact CE3-CZ 3.85Å; W186-F257 HydrophobicContact CE3-CZ 3.85Å; W186-F257 HydrophobicContact CZ3-CE2 4.42Å; W186-F257 AromaticContact CZ3-CZ 3.84Å; W186-F257 HydrophobicContact CZ3-CZ 3.84Å | |
| 187 | K | 82.6 | Confident | 82.7 | Confident | 158 Ų | 158 | 66.7 Ų | 66.7 | 69% | 0.687 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -75.6 | -25 | -179.1 | -68.9 | -177.7 | -177.8 | 175.5 | 0 | 110.8 | P184 L185 F189 I190 | P184-K187 WeakPolarHBondContact O-CB 3.36Å; P184-K187 PolarHBondContact O-N 2.94Å; P184-K187 VanDerWaalsContact O-N 3.07Å; L185-K187 PolarHBondContact O-N 3.47Å; K187-F189 VanDerWaalsContact C-N 3.3Å; K187-F189 PolarHBondContact O-N 3.29Å; K187-I190 HydrophobicContact CB-CD1 4.47Å |
| 188 | T | 83.7 | Confident | 82.3 | Confident | 67 Ų | 67 | 70 Ų | 70 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -74.9 | -30.3 | -176.7 | -59.9 | 0 | 0 | 0 | 0 | 110.4 | P184 L185 W186 | P184-T188 PolarHBondContact O-N 2.89Å; P184-T188 VanDerWaalsContact O-N 3.17Å; P184-T188 PolarHBondContact O-OG1 3.02Å; P184-T188 VanDerWaalsContact O-OG1 3.05Å; L185-T188 WeakPolarHBondContact O-CB 3.34Å; L185-T188 PolarHBondContact O-N 2.9Å; L185-T188 VanDerWaalsContact O-N 3.17Å; W186-T188 PolarHBondContact O-N 3.47Å |
| 189 | F | 86.1 | Confident | 82.3 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 0% | 0.004 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 24.3 | -171 | -68.7 | -72.1 | 0 | 0 | 0 | 110 | L185 W186 K187 Q191 V192 L211 V240 Q250 E253 I254 | L185-F189 HydrophobicContact CD2-CE2 4.35Å; L185-F189 WeakPolarHBondContact O-CD2 3Å; L185-F189 PolarHBondContact O-N 3.25Å; W186-F189 PolarHBondContact O-N 2.88Å; K187-F189 VanDerWaalsContact C-N 3.3Å; K187-F189 PolarHBondContact O-N 3.29Å; F189-Q191 PolarHBondContact O-N 3.33Å; F189-V192 HydrophobicContact CB-CG2 4.17Å; F189-V192 HydrophobicContact CD1-CG2 3.94Å; F189-L211 HydrophobicContact CB-CD1 3.42Å; F189-L211 VanDerWaalsContact CB-CD1 3.42Å; F189-L211 HydrophobicContact CB-CG 3.86Å; F189-L211 WeakPolarHBondContact O-CB 3.46Å; F189-L211 WeakPolarHBondContact O-CG 3.38Å; F189-L211 PolarHBondContact O-N 3.19Å; F189-L211 VanDerWaalsContact O-N 3.13Å; F189-V240 HydrophobicContact CD1-CG2 4.01Å; F189-V240 HydrophobicContact CE1-CG1 4.11Å; F189-V240 HydrophobicContact CE1-CG2 4.03Å; F189-Q250 HydrophobicContact CE1-CB 4.27Å; F189-Q250 HydrophobicContact CZ-CB 4.46Å; F189-Q250 WeakPolarHBondContact CZ-O 3.26Å; F189-E253 HydrophobicContact CE2-CB 4.14Å; F189-E253 HydrophobicContact CZ-CB 4Å; F189-I254 HydrophobicContact CD1-CD1 4.17Å; F189-I254 HydrophobicContact CD2-CD1 3.74Å; F189-I254 HydrophobicContact CE1-CB 3.97Å; F189-I254 HydrophobicContact CE1-CD1 4.31Å; F189-I254 HydrophobicContact CE2-CB 4.08Å; F189-I254 HydrophobicContact CE2-CD1 3.89Å; F189-I254 HydrophobicContact CG-CD1 3.89Å; F189-I254 HydrophobicContact CZ-CB 3.65Å; F189-I254 HydrophobicContact CZ-CD1 4.18Å; F189-I254 HydrophobicContact CZ-CG1 4.45Å |
| 190 | I | 84 | Confident | 82.7 | Confident | 55 Ų | 55 | 65.9 Ų | 65.9 | 28% | 0.282 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -65.7 | -32.9 | 175.2 | -71.9 | 173.6 | 0 | 0 | 0 | 109.5 | W186 K187 D210 E212 | W186-I190 WeakPolarHBondContact O-CG1 3.49Å; W186-I190 PolarHBondContact O-N 2.74Å; K187-I190 HydrophobicContact CB-CD1 4.47Å; I190-D210 VanDerWaalsContact O-CB 3.26Å; I190-D210 WeakPolarHBondContact O-CB 2.92Å; I190-D210 VanDerWaalsContact O-CG 3.29Å; I190-E212 HydrophobicContact CG2-CB 4.12Å |
| 191 | Q | 80.5 | Confident | 83 | Confident | 90 Ų | 90 | 64.9 Ų | 64.9 | 42% | 0.421 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -139 | 127 | 170.8 | -73.4 | -178.5 | 4.6 | 0 | 0 | 109.3 | F189 | F189-Q191 PolarHBondContact O-N 3.33Š|
| 192 | V | 84.5 | Confident | 83.1 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | trans | -113.6 | 144.7 | -174.9 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | F189 N201 Y208 L236 V240 L243 | F189-V192 HydrophobicContact CB-CG2 4.17Å; F189-V192 HydrophobicContact CD1-CG2 3.94Å; V192-N201 PolarHBondContact O-ND2 3.45Å; V192-Y208 PolarHBondContact N-OH 3.21Å; V192-Y208 WeakPolarHBondContact O-CE2 3.48Å; V192-Y208 PolarHBondContact O-OH 2.98Å; V192-L236 HydrophobicContact CG2-CD1 3.9Å; V192-V240 HydrophobicContact CB-CG2 4.36Å; V192-V240 HydrophobicContact CG1-CB 4.32Å; V192-V240 HydrophobicContact CG1-CG2 3.52Å; V192-V240 HydrophobicContact CG2-CG2 4.01Å; V192-L243 HydrophobicContact CB-CD1 4.28Å; V192-L243 HydrophobicContact CG1-CD1 3.6Å | ||
| 193 | G | 84.2 | Confident | 83.5 | Confident | 12 Ų | 12 | 57.6 Ų | 57.6 | 12% | 0.124 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 90 | -141.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K195 | G193-K195 PolarHBondContact O-N 3.21Š|
| 194 | Y | 82.8 | Confident | 83.9 | Confident | 28 Ų | 28 | 52.9 Ų | 52.9 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -75.1 | 0 | 177.8 | -65.6 | -84.4 | 0 | 0 | 0 | 110.7 | R18 W21 D22 G196 E197 K200 N201 | R18-Y194 WeakPolarHBondContact CD-OH 2.41Å; R18-Y194 HydrophobicContact CG-CE1 4.43Å; R18-Y194 HydrophobicContact CG-CE2 4.05Å; R18-Y194 VanDerWaalsContact CG-CZ 3.49Å; R18-Y194 WeakPolarHBondContact CG-OH 2.86Å; W21-Y194 AromaticContact CE3-CE2 3.89Å; W21-Y194 HydrophobicContact CE3-CE2 3.89Å; W21-Y194 HydrophobicContact CZ3-CE2 4.13Å; D22-Y194 PolarHBondContact OD1-OH 3.48Å; Y194-G196 PolarHBondContact O-N 3.2Å; Y194-E197 PolarHBondContact O-N 3.37Å; Y194-E197 VanDerWaalsContact O-N 3.08Å; Y194-K200 HydrophobicContact CD1-CD 4.09Å; Y194-K200 HydrophobicContact CD2-CD 3.75Å; Y194-K200 HydrophobicContact CD2-CG 4.01Å; Y194-K200 HydrophobicContact CE1-CD 4.37Å; Y194-K200 VanDerWaalsContact CE1-NZ 3.33Å; Y194-K200 HydrophobicContact CE2-CD 4.06Å; Y194-K200 HydrophobicContact CE2-CG 4.34Å; Y194-K200 HydrophobicContact CG-CD 3.77Å; Y194-K200 HydrophobicContact CG-CG 4.45Å; Y194-N201 WeakPolarHBondContact CD2-OD1 3.14Å; Y194-N201 PolarHBondContact N-ND2 3.32Å; Y194-N201 PolarHBondContact N-OD1 3.44Å; Y194-N201 PolarHBondContact O-ND2 2.06Å |
| 195 | K | 80.2 | Confident | 84.3 | Confident | 173 Ų | 173 | 48.6 Ų | 48.6 | 75% | 0.752 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 125 | 0 | -64.6 | -177.6 | -178.9 | -178.1 | 0 | 110.7 | G193 E197 | G193-K195 PolarHBondContact O-N 3.21Å; K195-E197 VanDerWaalsContact C-N 3.27Å; K195-E197 PolarHBondContact O-N 2.94Å | |
| 196 | G | 76.9 | Confident | 84.7 | Confident | 68 Ų | 68 | 48 Ų | 48 | 70% | 0.701 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | 0 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y194 | Y194-G196 PolarHBondContact O-N 3.2Š|
| 197 | E | 81.5 | Confident | 84.8 | Confident | 96 Ų | 96 | 49 Ų | 49 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | 0 | 73.1 | 0 | -65.4 | 179.6 | -168 | 0 | 0 | 109.2 | Y194 K195 T199 K200 N201 | Y194-E197 PolarHBondContact O-N 3.37Å; Y194-E197 VanDerWaalsContact O-N 3.08Å; K195-E197 VanDerWaalsContact C-N 3.27Å; K195-E197 PolarHBondContact O-N 2.94Å; E197-T199 PolarHBondContact O-N 3.45Å; E197-K200 HydrophobicContact CB-CB 3.94Å; E197-K200 WeakPolarHBondContact O-CB 3.42Å; E197-K200 PolarHBondContact O-N 3.22Å; E197-K200 VanDerWaalsContact O-N 3.14Å; E197-K200 WeakPolarHBondContact OE2-CD 3.17Å; E197-N201 PolarHBondContact O-N 2.86Å | |||
| 198 | I | 80.7 | Confident | 85.2 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.3 | -30.4 | -175.3 | -65.4 | 170.4 | 0 | 0 | 0 | 109.4 | K200 N201 E202 Y208 | I198-K200 PolarHBondContact O-N 3.28Å; I198-N201 WeakPolarHBondContact O-CB 3.39Å; I198-N201 PolarHBondContact O-N 3.2Å; I198-N201 VanDerWaalsContact O-N 3.09Å; I198-E202 HydrophobicContact CG2-CG 4.28Å; I198-E202 VanDerWaalsContact O-CG 3.3Å; I198-E202 WeakPolarHBondContact O-CG 3.41Å; I198-E202 PolarHBondContact O-N 2.91Å; I198-E202 VanDerWaalsContact O-N 3.08Å; I198-Y208 HydrophobicContact CG1-CE1 4.28Å; I198-Y208 HydrophobicContact CG2-CD1 3.73Å; I198-Y208 HydrophobicContact CG2-CE1 3.93Å; I198-Y208 HydrophobicContact CG2-CG 4.13Å |
| 199 | T | 83.4 | Confident | 85.6 | Confident | 67 Ų | 67 | 40 Ų | 40 | 41% | 0.411 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.3 | -31.7 | -177.1 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | F87 E197 N201 E202 Y203 | F87-T199 WeakPolarHBondContact O-CB 3.26Å; E197-T199 PolarHBondContact O-N 3.45Å; T199-N201 VanDerWaalsContact C-N 3.3Å; T199-E202 PolarHBondContact O-N 2.09Å; T199-Y203 WeakPolarHBondContact O-CD2 3.12Å |
| 200 | K | 86.8 | Confident | 85.8 | Confident | 22 Ų | 22 | 40.5 Ų | 40.5 | 10% | 0.096 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.6 | -39.2 | 177 | -172 | 174.9 | 178.5 | 179.2 | 0 | 111.1 | W21 F87 Y194 E197 I198 E202 Y203 | W21-K200 HydrophobicContact CE3-CD 4.32Å; W21-K200 HydrophobicContact CE3-CG 4.03Å; W21-K200 HydrophobicContact CH2-CG 4.47Å; W21-K200 HydrophobicContact CZ3-CD 4.45Å; W21-K200 HydrophobicContact CZ3-CG 3.67Å; F87-K200 HydrophobicContact CD1-CG 4.23Å; F87-K200 HydrophobicContact CD2-CG 4.4Å; F87-K200 HydrophobicContact CE1-CG 4.09Å; F87-K200 HydrophobicContact CE2-CD 4.36Å; F87-K200 HydrophobicContact CE2-CG 4.28Å; F87-K200 HydrophobicContact CG-CB 4.42Å; F87-K200 HydrophobicContact CG-CG 4.38Å; F87-K200 HydrophobicContact CZ-CD 4.49Å; F87-K200 HydrophobicContact CZ-CG 4.12Å; Y194-K200 HydrophobicContact CD1-CD 4.09Å; Y194-K200 HydrophobicContact CD2-CD 3.75Å; Y194-K200 HydrophobicContact CD2-CG 4.01Å; Y194-K200 HydrophobicContact CE1-CD 4.37Å; Y194-K200 VanDerWaalsContact CE1-NZ 3.33Å; Y194-K200 HydrophobicContact CE2-CD 4.06Å; Y194-K200 HydrophobicContact CE2-CG 4.34Å; Y194-K200 HydrophobicContact CG-CD 3.77Å; Y194-K200 HydrophobicContact CG-CG 4.45Å; E197-K200 HydrophobicContact CB-CB 3.94Å; E197-K200 WeakPolarHBondContact O-CB 3.42Å; E197-K200 PolarHBondContact O-N 3.22Å; E197-K200 VanDerWaalsContact O-N 3.14Å; E197-K200 WeakPolarHBondContact OE2-CD 3.17Å; I198-K200 PolarHBondContact O-N 3.28Å; K200-E202 PolarHBondContact O-N 3.46Å; K200-Y203 WeakPolarHBondContact O-CB 3.39Å; K200-Y203 PolarHBondContact O-N 2.75Å |
| 201 | N | 88.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.3 | -30.2 | 179.5 | -69.9 | -22.5 | 0 | 0 | 0 | 111.4 | V192 Y194 E197 I198 T199 Y203 L204 V205 Y208 L243 | V192-N201 PolarHBondContact O-ND2 3.45Å; Y194-N201 WeakPolarHBondContact CD2-OD1 3.14Å; Y194-N201 PolarHBondContact N-ND2 3.32Å; Y194-N201 PolarHBondContact N-OD1 3.44Å; Y194-N201 PolarHBondContact O-ND2 2.06Å; E197-N201 PolarHBondContact O-N 2.86Å; I198-N201 WeakPolarHBondContact O-CB 3.39Å; I198-N201 PolarHBondContact O-N 3.2Å; I198-N201 VanDerWaalsContact O-N 3.09Å; T199-N201 VanDerWaalsContact C-N 3.3Å; N201-Y203 PolarHBondContact O-N 3.38Å; N201-Y203 VanDerWaalsContact O-N 3.11Å; N201-L204 PolarHBondContact O-N 2.32Å; N201-V205 WeakPolarHBondContact O-CG2 3.45Å; N201-V205 PolarHBondContact O-N 2.48Å; N201-Y208 HydrophobicContact CB-CD2 3.73Å; N201-Y208 HydrophobicContact CB-CE2 3.79Å; N201-Y208 WeakPolarHBondContact ND2-CE2 2.96Å; N201-L243 HydrophobicContact CB-CD2 4.49Å |
| 202 | E | 87.8 | Confident | 86.5 | Confident | 52 Ų | 52 | 37.5 Ų | 37.5 | 24% | 0.243 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -15.9 | -176.3 | -73.4 | -179.3 | 167.1 | 0 | 0 | 110.8 | R93 I198 T199 K200 V205 | R93-E202 IonicContact NH2-OE2 2.97Å; I198-E202 HydrophobicContact CG2-CG 4.28Å; I198-E202 VanDerWaalsContact O-CG 3.3Å; I198-E202 WeakPolarHBondContact O-CG 3.41Å; I198-E202 PolarHBondContact O-N 2.91Å; I198-E202 VanDerWaalsContact O-N 3.08Å; T199-E202 PolarHBondContact O-N 2.09Å; K200-E202 PolarHBondContact O-N 3.46Å; E202-V205 CarbonylContact C-O 3.5Å |
| 203 | Y | 88.3 | Confident | 86.8 | Confident | 11 Ų | 11 | 39.1 Ų | 39.1 | 4% | 0.043 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -22 | 177.1 | -85.9 | -100.7 | 0 | 0 | 0 | 110.7 | R10 L66 P85 D86 F87 K89 H91 T199 K200 N201 | R10-Y203 PolarHBondContact NH1-O 3.49Å; R10-Y203 PolarHBondContact NH2-O 2.77Å; L66-Y203 WeakPolarHBondContact CD2-O 3.06Å; P85-Y203 HydrophobicContact CB-CE1 3.89Å; D86-Y203 PolarHBondContact O-OH 3.08Å; F87-Y203 VanDerWaalsContact CA-CE2 3.49Å; F87-Y203 HydrophobicContact CB-CE2 4.13Å; F87-Y203 AromaticContact CD1-CD2 3.66Å; F87-Y203 HydrophobicContact CD1-CD2 3.66Å; F87-Y203 AromaticContact CD1-CE2 3.71Å; F87-Y203 HydrophobicContact CD1-CE2 3.71Å; F87-Y203 HydrophobicContact CD1-CG 4.09Å; F87-Y203 HydrophobicContact CE1-CD2 4.42Å; F87-Y203 HydrophobicContact CE1-CG 4.43Å; F87-Y203 HydrophobicContact CG-CE2 4.42Å; K89-Y203 VanDerWaalsContact C-OH 3.32Å; K89-Y203 WeakPolarHBondContact O-CE2 3.38Å; K89-Y203 PolarHBondContact O-OH 3.1Å; H91-Y203 HydrophobicContact CB-CD1 3.75Å; H91-Y203 HydrophobicContact CB-CE1 3.78Å; H91-Y203 HydrophobicContact CB-CG 4.2Å; H91-Y203 AromaticContact ND1-CD1 3.82Å; H91-Y203 AromaticContact ND1-CE1 3.91Å; T199-Y203 WeakPolarHBondContact O-CD2 3.12Å; K200-Y203 WeakPolarHBondContact O-CB 3.39Å; K200-Y203 PolarHBondContact O-N 2.75Å; N201-Y203 PolarHBondContact O-N 3.38Å; N201-Y203 VanDerWaalsContact O-N 3.11Å |
| 204 | L | 90 | Very high | 87.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -29.2 | -179.4 | -68.9 | 177.5 | 0 | 0 | 0 | 110.6 | V17 W21 L66 Y99 N201 I242 L243 | V17-L204 HydrophobicContact CB-CD2 4.07Å; V17-L204 HydrophobicContact CG1-CD2 3.6Å; W21-L204 HydrophobicContact CE3-CD1 4.26Å; W21-L204 HydrophobicContact CH2-CD1 4.04Å; W21-L204 HydrophobicContact CH2-CD2 3.79Å; W21-L204 HydrophobicContact CH2-CG 3.52Å; W21-L204 HydrophobicContact CZ2-CD2 4.21Å; W21-L204 HydrophobicContact CZ2-CG 4.43Å; W21-L204 HydrophobicContact CZ3-CD1 3.6Å; W21-L204 HydrophobicContact CZ3-CD2 4.24Å; W21-L204 HydrophobicContact CZ3-CG 3.65Å; L66-L204 HydrophobicContact CD1-CD2 4.18Å; L66-L204 HydrophobicContact CD2-CD2 4.31Å; Y99-L204 WeakPolarHBondContact CE2-O 3.29Å; N201-L204 PolarHBondContact O-N 2.32Å; L204-I242 HydrophobicContact CB-CG2 4.48Å; L204-L243 HydrophobicContact CB-CD2 4.3Å; L204-L243 HydrophobicContact CD1-CD2 4Å |
| 205 | V | 91.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -111.2 | 141.4 | -175.4 | -65.9 | 0 | 0 | 0 | 0 | 107.8 | N201 E202 Y208 D239 I242 L243 | N201-V205 WeakPolarHBondContact O-CG2 3.45Å; N201-V205 PolarHBondContact O-N 2.48Å; E202-V205 CarbonylContact C-O 3.5Å; V205-Y208 HydrophobicContact CG2-CD2 4.03Å; V205-Y208 HydrophobicContact CG2-CG 4.49Å; V205-D239 HydrophobicContact CG1-CB 4.16Å; V205-I242 HydrophobicContact CG1-CB 4.35Å; V205-I242 HydrophobicContact CG1-CG2 4.21Å; V205-L243 HydrophobicContact CG1-CD1 4.28Å; V205-L243 HydrophobicContact CG1-CD2 4.15Å; V205-L243 HydrophobicContact CG1-CG 3.93Å | ||
| 206 | Y | 89.8 | Confident | 88 | Confident | 17 Ų | 17 | 36 Ų | 36 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -68 | 0 | -176.9 | 176.3 | -108.7 | 0 | 0 | 0 | 110.8 | R93 G94 K95 H96 D97 W98 F116 | R93-Y206 HydrophobicContact CB-CE2 4.33Å; R93-Y206 PolarHBondContact NH1-O 3.05Å; G94-Y206 WeakPolarHBondContact O-CE2 3.25Å; G94-Y206 PolarHBondContact O-OH 3.49Å; K95-Y206 PolarHBondContact O-OH 3.32Å; H96-Y206 WeakPolarHBondContact O-CE2 3.26Å; D97-Y206 HydrophobicContact CB-CG 4.31Å; D97-Y206 WeakPolarHBondContact OD1-CB 3.29Å; W98-Y206 HydrophobicContact CH2-CD2 4.43Å; F116-Y206 HydrophobicContact CB-CD1 4.25Å; F116-Y206 HydrophobicContact CB-CE1 3.45Å; F116-Y206 VanDerWaalsContact CB-CE1 3.45Å; F116-Y206 HydrophobicContact CD1-CE1 4.17Å; F116-Y206 AromaticContact CD2-CD1 3.48Å; F116-Y206 HydrophobicContact CD2-CD1 3.48Å; F116-Y206 VanDerWaalsContact CD2-CD1 3.48Å; F116-Y206 AromaticContact CD2-CE1 3.53Å; F116-Y206 HydrophobicContact CD2-CE1 3.53Å; F116-Y206 AromaticContact CE2-CD1 3.95Å; F116-Y206 HydrophobicContact CE2-CD1 3.95Å; F116-Y206 HydrophobicContact CE2-CE1 4.29Å; F116-Y206 AromaticContact CG-CD1 3.93Å; F116-Y206 HydrophobicContact CG-CD1 3.93Å; F116-Y206 AromaticContact CG-CE1 3.45Å; F116-Y206 HydrophobicContact CG-CE1 3.45Å; F116-Y206 VanDerWaalsContact CG-CE1 3.45Å |
| 207 | K | 88.5 | Confident | 88.8 | Confident | 37 Ų | 37 | 33.8 Ų | 33.8 | 16% | 0.161 | 16% | 0.158 | C | C | . | . | S | Bend | 0 | 108.1 | 0 | -73.3 | -172 | -179.5 | -179.8 | 0 | 109.4 | F116 T209 L235 | F116-K207 HydrophobicContact CD1-CD 4.15Å; F116-K207 VanDerWaalsContact CD1-NZ 3.3Å; F116-K207 HydrophobicContact CE1-CD 3.74Å; F116-K207 HydrophobicContact CE2-CD 4.38Å; F116-K207 HydrophobicContact CZ-CD 3.88Å; K207-T209 PolarHBondContact O-N 2.96Å; K207-T209 PolarHBondContact O-OG1 3.04Å; K207-L235 HydrophobicContact CB-CD2 3.82Å | |
| 208 | Y | 90.3 | Very high | 89.3 | Confident | 28 Ų | 28 | 29.4 Ų | 29.4 | 11% | 0.11 | 14% | 0.138 | C | C | . | . | trans | -71.6 | 128.4 | -175.4 | 178.5 | -99.8 | 0 | 0 | 0 | 110.3 | V192 I198 N201 V205 D210 | V192-Y208 PolarHBondContact N-OH 3.21Å; V192-Y208 WeakPolarHBondContact O-CE2 3.48Å; V192-Y208 PolarHBondContact O-OH 2.98Å; I198-Y208 HydrophobicContact CG1-CE1 4.28Å; I198-Y208 HydrophobicContact CG2-CD1 3.73Å; I198-Y208 HydrophobicContact CG2-CE1 3.93Å; I198-Y208 HydrophobicContact CG2-CG 4.13Å; N201-Y208 HydrophobicContact CB-CD2 3.73Å; N201-Y208 HydrophobicContact CB-CE2 3.79Å; N201-Y208 WeakPolarHBondContact ND2-CE2 2.96Å; V205-Y208 HydrophobicContact CG2-CD2 4.03Å; V205-Y208 HydrophobicContact CG2-CG 4.49Å; Y208-D210 HydrophobicContact CE1-CB 4.23Å; Y208-D210 WeakPolarHBondContact CE1-OD2 3.15Å | ||
| 209 | T | 91 | Very high | 89.8 | Confident | 8 Ų | 8 | 31.2 Ų | 31.2 | 5% | 0.049 | 14% | 0.143 | C | C | . | . | trans | -135 | 135 | 180 | -61.3 | 0 | 0 | 0 | 0 | 108.8 | K207 L214 L235 L236 D239 | K207-T209 PolarHBondContact O-N 2.96Å; K207-T209 PolarHBondContact O-OG1 3.04Å; T209-L214 HydrophobicContact CG2-CD1 4.22Å; T209-L214 HydrophobicContact CG2-CD2 3.63Å; T209-L214 HydrophobicContact CG2-CG 3.81Å; T209-L235 WeakPolarHBondContact OG1-CD2 3.09Å; T209-L236 HydrophobicContact CG2-CB 4.31Å; T209-L236 WeakPolarHBondContact O-CD1 3.3Å; T209-D239 PolarHBondContact N-OD2 3.17Å | ||
| 210 | D | 91.2 | Very high | 90.1 | Very high | 11 Ų | 11 | 32.9 Ų | 32.9 | 6% | 0.059 | 15% | 0.149 | C | C | . | . | trans | -140.7 | 171.2 | 174.4 | 58.4 | 17.7 | 0 | 0 | 0 | 109.7 | I190 Y208 E212 L213 L214 | I190-D210 VanDerWaalsContact O-CB 3.26Å; I190-D210 WeakPolarHBondContact O-CB 2.92Å; I190-D210 VanDerWaalsContact O-CG 3.29Å; Y208-D210 HydrophobicContact CE1-CB 4.23Å; Y208-D210 WeakPolarHBondContact CE1-OD2 3.15Å; D210-E212 PolarHBondContact O-N 3.23Å; D210-E212 PolarHBondContact OD1-N 3.01Å; D210-L213 PolarHBondContact O-N 2.18Å; D210-L213 WeakPolarHBondContact OD1-CA 3.48Å; D210-L213 WeakPolarHBondContact OD1-CB 3.27Å; D210-L213 PolarHBondContact OD1-N 3.34Å; D210-L214 VanDerWaalsContact O-CG 3.26Å; D210-L214 WeakPolarHBondContact O-CG 2.89Å; D210-L214 PolarHBondContact O-N 2.97Å | ||
| 211 | L | 90.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.1 | -21.8 | -170.8 | -75.2 | 177.2 | 0 | 0 | 0 | 111 | W186 F189 L213 L214 Q215 L236 F257 | W186-L211 HydrophobicContact CB-CD1 4.42Å; W186-L211 HydrophobicContact CD2-CD1 3.96Å; W186-L211 HydrophobicContact CE3-CD1 4.02Å; W186-L211 HydrophobicContact CE3-CD2 4.17Å; W186-L211 HydrophobicContact CG-CD1 4.14Å; W186-L211 HydrophobicContact CH2-CD2 4.23Å; W186-L211 HydrophobicContact CZ2-CB 4.35Å; W186-L211 HydrophobicContact CZ3-CD2 3.93Å; W186-L211 VanDerWaalsContact O-CD1 3.26Å; W186-L211 WeakPolarHBondContact O-CD1 3.47Å; F189-L211 HydrophobicContact CB-CD1 3.42Å; F189-L211 VanDerWaalsContact CB-CD1 3.42Å; F189-L211 HydrophobicContact CB-CG 3.86Å; F189-L211 WeakPolarHBondContact O-CB 3.46Å; F189-L211 WeakPolarHBondContact O-CG 3.38Å; F189-L211 PolarHBondContact O-N 3.19Å; F189-L211 VanDerWaalsContact O-N 3.13Å; L211-L213 VanDerWaalsContact C-N 3.31Å; L211-L214 HydrophobicContact CD2-CD1 4.12Å; L211-L214 PolarHBondContact O-N 3.35Å; L211-Q215 VanDerWaalsContact O-CB 3.29Å; L211-Q215 WeakPolarHBondContact O-CB 3.27Å; L211-Q215 PolarHBondContact O-N 2.93Å; L211-L236 HydrophobicContact CD2-CD2 3.72Å; L211-L236 HydrophobicContact CG-CD2 3.91Å; L211-F257 HydrophobicContact CD2-CE1 3.82Å; L211-F257 HydrophobicContact CD2-CZ 3.92Å |
| 212 | E | 88.7 | Confident | 90.3 | Very high | 80 Ų | 80 | 36.2 Ų | 36.2 | 37% | 0.374 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -69.4 | -39.8 | 175 | -178.4 | 65.4 | -156.7 | 0 | 0 | 110.8 | I190 D210 L214 Q215 R216 | I190-E212 HydrophobicContact CG2-CB 4.12Å; D210-E212 PolarHBondContact O-N 3.23Å; D210-E212 PolarHBondContact OD1-N 3.01Å; E212-L214 VanDerWaalsContact C-N 3.31Å; E212-Q215 PolarHBondContact O-N 2.98Å; E212-R216 WeakPolarHBondContact O-CG 3.38Å; E212-R216 PolarHBondContact O-N 3.47Å |
| 213 | L | 90.3 | Very high | 90.5 | Very high | 37 Ų | 37 | 34 Ų | 34 | 19% | 0.194 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.1 | -41.6 | 178.8 | 177.5 | 64 | 0 | 0 | 0 | 110.1 | D210 L211 Q215 R216 K217 | D210-L213 PolarHBondContact O-N 2.18Å; D210-L213 WeakPolarHBondContact OD1-CA 3.48Å; D210-L213 WeakPolarHBondContact OD1-CB 3.27Å; D210-L213 PolarHBondContact OD1-N 3.34Å; L211-L213 VanDerWaalsContact C-N 3.31Å; L213-Q215 PolarHBondContact O-N 2.67Å; L213-R216 PolarHBondContact O-N 3.08Å; L213-K217 HydrophobicContact CG-CD 4.34Å; L213-K217 WeakPolarHBondContact O-CG 3.11Å; L213-K217 PolarHBondContact O-N 3.08Å |
| 214 | L | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65 | -36.6 | -179.6 | -67 | -175.7 | 0 | 0 | 0 | 111.1 | T209 D210 L211 E212 R216 K217 I218 Y223 F229 D232 V233 L236 | T209-L214 HydrophobicContact CG2-CD1 4.22Å; T209-L214 HydrophobicContact CG2-CD2 3.63Å; T209-L214 HydrophobicContact CG2-CG 3.81Å; D210-L214 VanDerWaalsContact O-CG 3.26Å; D210-L214 WeakPolarHBondContact O-CG 2.89Å; D210-L214 PolarHBondContact O-N 2.97Å; L211-L214 HydrophobicContact CD2-CD1 4.12Å; L211-L214 PolarHBondContact O-N 3.35Å; E212-L214 VanDerWaalsContact C-N 3.31Å; L214-R216 VanDerWaalsContact C-N 3.29Å; L214-R216 PolarHBondContact O-N 3.34Å; L214-K217 HydrophobicContact CD2-CD 4.43Å; L214-K217 PolarHBondContact O-N 2.61Å; L214-I218 WeakPolarHBondContact O-CG1 3.37Å; L214-I218 PolarHBondContact O-N 2.78Å; L214-Y223 WeakPolarHBondContact CD2-OH 2.8Å; L214-F229 HydrophobicContact CB-CE2 4.47Å; L214-D232 HydrophobicContact CD2-CB 3.38Å; L214-V233 HydrophobicContact CD1-CG2 4.04Å; L214-L236 HydrophobicContact CD1-CD2 4.28Å |
| 215 | Q | 90.5 | Very high | 90.4 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 15% | 0.145 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -42.4 | 176.5 | -175.9 | 174.9 | -6.8 | 0 | 0 | 110.8 | W186 L211 E212 L213 K217 I218 K219 | W186-Q215 HydrophobicContact CZ2-CB 4.1Å; W186-Q215 HydrophobicContact CZ2-CG 4.48Å; L211-Q215 VanDerWaalsContact O-CB 3.29Å; L211-Q215 WeakPolarHBondContact O-CB 3.27Å; L211-Q215 PolarHBondContact O-N 2.93Å; E212-Q215 PolarHBondContact O-N 2.98Å; L213-Q215 PolarHBondContact O-N 2.67Å; Q215-K217 PolarHBondContact O-N 1.63Å; Q215-I218 WeakPolarHBondContact O-CB 3.47Å; Q215-I218 PolarHBondContact O-N 2.88Å; Q215-K219 WeakPolarHBondContact O-CG 3.38Å; Q215-K219 PolarHBondContact O-N 3.31Å |
| 216 | R | 91.1 | Very high | 90.3 | Very high | 117 Ų | 117 | 34.8 Ų | 34.8 | 44% | 0.442 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.6 | -38.4 | 178.5 | -80.5 | -171.4 | -69.9 | 129.8 | -0.3 | 110.5 | E212 L213 L214 I218 K219 D220 | E212-R216 WeakPolarHBondContact O-CG 3.38Å; E212-R216 PolarHBondContact O-N 3.47Å; L213-R216 PolarHBondContact O-N 3.08Å; L214-R216 VanDerWaalsContact C-N 3.29Å; L214-R216 PolarHBondContact O-N 3.34Å; R216-I218 PolarHBondContact O-N 2.04Å; R216-K219 PolarHBondContact O-N 3.08Å; R216-K219 VanDerWaalsContact O-N 3.1Å; R216-D220 WeakPolarHBondContact O-CB 3.14Å; R216-D220 PolarHBondContact O-N 3.28Å |
| 217 | K | 92.8 | Very high | 90.2 | Very high | 21 Ų | 21 | 36 Ų | 36 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.4 | -32.1 | 178.7 | -77.8 | 178.1 | 75.8 | 171.4 | 0 | 111 | L213 L214 Q215 K219 D220 G221 R222 Y223 D232 | L213-K217 HydrophobicContact CG-CD 4.34Å; L213-K217 WeakPolarHBondContact O-CG 3.11Å; L213-K217 PolarHBondContact O-N 3.08Å; L214-K217 HydrophobicContact CD2-CD 4.43Å; L214-K217 PolarHBondContact O-N 2.61Å; Q215-K217 PolarHBondContact O-N 1.63Å; K217-K219 VanDerWaalsContact C-N 3.3Å; K217-D220 PolarHBondContact O-N 2.86Å; K217-G221 PolarHBondContact O-N 3.07Å; K217-R222 HydrophobicContact CB-CB 4.27Å; K217-R222 HydrophobicContact CG-CB 4.46Å; K217-R222 PolarHBondContact O-N 2.23Å; K217-Y223 HydrophobicContact CB-CD2 4.47Å; K217-Y223 HydrophobicContact CB-CE2 3.63Å; K217-D232 WeakPolarHBondContact CE-OD2 3.1Å; K217-D232 IonicContact NZ-OD1 3.97Å; K217-D232 IonicContact NZ-OD2 2.87Å; K217-D232 PolarHBondContact NZ-OD2 2.16Å |
| 218 | I | 92.1 | Very high | 90.3 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.1 | -40.4 | 177.5 | -69.2 | 172.4 | 0 | 0 | 0 | 109.7 | R170 L173 E174 T177 L214 Q215 R216 D220 G221 Y223 F229 | R170-I218 WeakPolarHBondContact CG-O 3.09Å; L173-I218 HydrophobicContact CB-CD1 4.42Å; L173-I218 HydrophobicContact CB-CG1 4.38Å; L173-I218 HydrophobicContact CB-CG2 3.98Å; L173-I218 HydrophobicContact CD1-CG1 4.3Å; E174-I218 HydrophobicContact CG-CG2 3.82Å; T177-I218 HydrophobicContact CG2-CD1 3.91Å; L214-I218 WeakPolarHBondContact O-CG1 3.37Å; L214-I218 PolarHBondContact O-N 2.78Å; Q215-I218 WeakPolarHBondContact O-CB 3.47Å; Q215-I218 PolarHBondContact O-N 2.88Å; R216-I218 PolarHBondContact O-N 2.04Å; I218-D220 PolarHBondContact O-N 3.32Å; I218-G221 PolarHBondContact O-N 1.69Å; I218-Y223 HydrophobicContact CG1-CD2 4.13Å; I218-Y223 HydrophobicContact CG1-CE2 3.61Å; I218-F229 HydrophobicContact CD1-CD2 4.18Å; I218-F229 HydrophobicContact CD1-CE2 3.59Å; I218-F229 HydrophobicContact CD1-CZ 4.18Å; I218-F229 HydrophobicContact CG1-CD2 4.3Å; I218-F229 HydrophobicContact CG1-CE2 4.18Å |
| 219 | K | 90.3 | Very high | 90.4 | Very high | 111 Ų | 111 | 35.1 Ų | 35.1 | 48% | 0.483 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -70.8 | -32.3 | -177.3 | -75 | -175.6 | -178.5 | 178.9 | 0 | 110.6 | R170 Q215 R216 K217 G221 | R170-K219 PolarHBondContact NE-O 3.46Å; Q215-K219 WeakPolarHBondContact O-CG 3.38Å; Q215-K219 PolarHBondContact O-N 3.31Å; R216-K219 PolarHBondContact O-N 3.08Å; R216-K219 VanDerWaalsContact O-N 3.1Å; K217-K219 VanDerWaalsContact C-N 3.3Å; K219-G221 PolarHBondContact O-N 2.81Å |
| 220 | D | 90.6 | Very high | 90.5 | Very high | 101 Ų | 101 | 35.6 Ų | 35.6 | 54% | 0.54 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -84.7 | 0 | -177 | -69.8 | -15.6 | 0 | 0 | 0 | 110.1 | R170 R216 K217 I218 R222 | R170-D220 PolarHBondContact NH2-O 3.41Å; R216-D220 WeakPolarHBondContact O-CB 3.14Å; R216-D220 PolarHBondContact O-N 3.28Å; K217-D220 PolarHBondContact O-N 2.86Å; I218-D220 PolarHBondContact O-N 3.32Å; D220-R222 HydrophobicContact CB-CG 3.87Å |
| 221 | G | 88.6 | Confident | 90.5 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 12% | 0.124 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | 0 | 43.4 | 0 | 0 | 0 | 0 | 0 | 0 | 111.7 | K217 I218 K219 Y223 | K217-G221 PolarHBondContact O-N 3.07Å; I218-G221 PolarHBondContact O-N 1.69Å; K219-G221 PolarHBondContact O-N 2.81Å; G221-Y223 PolarHBondContact O-N 3.12Å | |
| 222 | R | 90.3 | Very high | 90.7 | Very high | 81 Ų | 81 | 37.9 Ų | 37.9 | 31% | 0.306 | 18% | 0.181 | S | C | . | . | trans | -90.5 | -2.8 | -173.6 | -73.3 | -158.2 | -95.3 | 145.1 | 1.5 | 109.8 | K217 D220 D773 | K217-R222 HydrophobicContact CB-CB 4.27Å; K217-R222 HydrophobicContact CG-CB 4.46Å; K217-R222 PolarHBondContact O-N 2.23Å; D220-R222 HydrophobicContact CB-CG 3.87Å; R222-D773 IonicContact NH1-OD1 2.02Å | ||
| 223 | Y | 91.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | trans | -97.3 | 127.7 | -178.6 | -67.7 | -67.7 | 0 | 0 | 0 | 109.4 | L173 L214 K217 I218 G221 E228 F229 D232 | L173-Y223 HydrophobicContact CD1-CD2 3.56Å; L173-Y223 HydrophobicContact CD1-CE2 4.28Å; L173-Y223 HydrophobicContact CD1-CG 4.07Å; L214-Y223 WeakPolarHBondContact CD2-OH 2.8Å; K217-Y223 HydrophobicContact CB-CD2 4.47Å; K217-Y223 HydrophobicContact CB-CE2 3.63Å; I218-Y223 HydrophobicContact CG1-CD2 4.13Å; I218-Y223 HydrophobicContact CG1-CE2 3.61Å; G221-Y223 PolarHBondContact O-N 3.12Å; Y223-E228 HydrophobicContact CD1-CB 3.87Å; Y223-F229 HydrophobicContact CD1-CB 4.22Å; Y223-F229 HydrophobicContact CD2-CB 4.44Å; Y223-F229 HydrophobicContact CD2-CD2 4.45Å; Y223-F229 HydrophobicContact CE1-CB 4.18Å; Y223-F229 HydrophobicContact CE1-CD2 4.39Å; Y223-F229 HydrophobicContact CE2-CB 4.41Å; Y223-F229 AromaticContact CE2-CD2 3.74Å; Y223-F229 HydrophobicContact CE2-CD2 3.74Å; Y223-F229 HydrophobicContact CG-CB 4.33Å; Y223-F229 AromaticContact CZ-CD2 3.71Å; Y223-D232 HydrophobicContact CE1-CB 4.28Å; Y223-D232 WeakPolarHBondContact CE1-OD2 3.34Å; Y223-D232 PolarHBondContact OH-OD2 3.26Å | ||
| 224 | A | 87.8 | Confident | 91.1 | Very high | 19 Ų | 19 | 34.7 Ų | 34.7 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -90.5 | -17 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I169 E228 | I169-A224 WeakPolarHBondContact CD1-O 3.35Å; A224-E228 PolarHBondContact N-OE2 3.33Å |
| 225 | A | 88.8 | Confident | 91.2 | Very high | 6 Ų | 6 | 35 Ų | 35 | 5% | 0.05 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -147.5 | 152.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | P160 E227 E228 | P160-A225 HydrophobicContact CB-CB 4.09Å; A225-E227 PolarHBondContact O-N 3.06Å; A225-E228 HydrophobicContact CB-CG 4.15Å; A225-E228 VanDerWaalsContact O-CB 3.31Å; A225-E228 WeakPolarHBondContact O-CB 3.39Å; A225-E228 PolarHBondContact O-N 3.29Å; A225-E228 VanDerWaalsContact O-N 3.1Å |
| 226 | L | 89.1 | Confident | 91.4 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.5 | -31.2 | -179.8 | -73.4 | 171.4 | 0 | 0 | 0 | 110.7 | F164 I169 L172 L173 E228 F229 S230 L265 I268 | F164-L226 HydrophobicContact CD2-CD1 3.77Å; F164-L226 HydrophobicContact CD2-CG 4.28Å; F164-L226 HydrophobicContact CE2-CD1 3.53Å; I169-L226 HydrophobicContact CG2-CD2 4.22Å; L172-L226 HydrophobicContact CB-CD2 4.3Å; L172-L226 HydrophobicContact CD1-CD1 4.47Å; L173-L226 HydrophobicContact CD2-CD2 3.55Å; L173-L226 HydrophobicContact CG-CD2 3.85Å; L226-E228 PolarHBondContact O-N 2.9Å; L226-F229 VanDerWaalsContact O-CB 3.23Å; L226-F229 WeakPolarHBondContact O-CB 3.08Å; L226-F229 PolarHBondContact O-N 3.28Å; L226-S230 PolarHBondContact O-N 3.22Å; L226-L265 HydrophobicContact CB-CD2 4.17Å; L226-L265 HydrophobicContact CD2-CD2 4.07Å; L226-I268 HydrophobicContact CD1-CB 4.24Å; L226-I268 HydrophobicContact CD1-CG2 3.47Å; L226-I268 VanDerWaalsContact CD1-CG2 3.47Å |
| 227 | E | 89 | Confident | 91.6 | Very high | 43 Ų | 43 | 28.5 Ų | 28.5 | 20% | 0.201 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -72 | -23.9 | -175.6 | -72.4 | 80.6 | -169.2 | 0 | 0 | 110.6 | P160 A225 F229 S230 M231 Q269 | P160-E227 HydrophobicContact CB-CB 3.57Å; P160-E227 HydrophobicContact CB-CG 4.29Å; A225-E227 PolarHBondContact O-N 3.06Å; E227-F229 VanDerWaalsContact C-N 3.26Å; E227-F229 PolarHBondContact O-N 3.33Å; E227-S230 WeakPolarHBondContact O-CB 3.32Å; E227-S230 PolarHBondContact O-N 2.34Å; E227-M231 WeakPolarHBondContact O-CG 3.26Å; E227-M231 PolarHBondContact O-N 2.82Å; E227-Q269 VanDerWaalsContact CD-NE2 3.34Å; E227-Q269 PolarHBondContact OE1-NE2 3.04Å |
| 228 | E | 90.4 | Very high | 91.7 | Very high | 44 Ų | 44 | 27.5 Ų | 27.5 | 21% | 0.206 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.5 | -38.2 | 176.5 | -73.7 | -173.5 | -178.9 | 0 | 0 | 111.5 | Y223 A224 A225 L226 S230 M231 D232 | Y223-E228 HydrophobicContact CD1-CB 3.87Å; A224-E228 PolarHBondContact N-OE2 3.33Å; A225-E228 HydrophobicContact CB-CG 4.15Å; A225-E228 VanDerWaalsContact O-CB 3.31Å; A225-E228 WeakPolarHBondContact O-CB 3.39Å; A225-E228 PolarHBondContact O-N 3.29Å; A225-E228 VanDerWaalsContact O-N 3.1Å; L226-E228 PolarHBondContact O-N 2.9Å; E228-S230 VanDerWaalsContact C-N 3.29Å; E228-M231 HydrophobicContact CB-CE 3.67Å; E228-M231 HydrophobicContact CG-CE 3.3Å; E228-M231 WeakPolarHBondContact O-CB 3.28Å; E228-M231 PolarHBondContact O-N 3.46Å; E228-D232 PolarHBondContact O-N 3.47Å |
| 229 | F | 92.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 1% | 0.013 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 175.1 | 173.8 | -112.3 | 0 | 0 | 0 | 110.9 | L173 T177 L214 I218 Y223 L226 E227 M231 D232 V233 V261 L265 | L173-F229 HydrophobicContact CD1-CB 3.94Å; L173-F229 HydrophobicContact CD1-CD2 4.43Å; L173-F229 HydrophobicContact CD1-CG 4.2Å; L173-F229 HydrophobicContact CD2-CB 3.92Å; L173-F229 HydrophobicContact CD2-CD1 3.65Å; L173-F229 HydrophobicContact CD2-CE1 4.27Å; L173-F229 HydrophobicContact CD2-CG 3.8Å; T177-F229 HydrophobicContact CG2-CE1 4.13Å; T177-F229 HydrophobicContact CG2-CE2 4.45Å; T177-F229 HydrophobicContact CG2-CZ 3.66Å; L214-F229 HydrophobicContact CB-CE2 4.47Å; I218-F229 HydrophobicContact CD1-CD2 4.18Å; I218-F229 HydrophobicContact CD1-CE2 3.59Å; I218-F229 HydrophobicContact CD1-CZ 4.18Å; I218-F229 HydrophobicContact CG1-CD2 4.3Å; I218-F229 HydrophobicContact CG1-CE2 4.18Å; Y223-F229 HydrophobicContact CD1-CB 4.22Å; Y223-F229 HydrophobicContact CD2-CB 4.44Å; Y223-F229 HydrophobicContact CD2-CD2 4.45Å; Y223-F229 HydrophobicContact CE1-CB 4.18Å; Y223-F229 HydrophobicContact CE1-CD2 4.39Å; Y223-F229 HydrophobicContact CE2-CB 4.41Å; Y223-F229 AromaticContact CE2-CD2 3.74Å; Y223-F229 HydrophobicContact CE2-CD2 3.74Å; Y223-F229 HydrophobicContact CG-CB 4.33Å; Y223-F229 AromaticContact CZ-CD2 3.71Å; L226-F229 VanDerWaalsContact O-CB 3.23Å; L226-F229 WeakPolarHBondContact O-CB 3.08Å; L226-F229 PolarHBondContact O-N 3.28Å; E227-F229 VanDerWaalsContact C-N 3.26Å; E227-F229 PolarHBondContact O-N 3.33Å; F229-M231 PolarHBondContact O-N 2.81Å; F229-D232 WeakPolarHBondContact O-CB 3.14Å; F229-D232 PolarHBondContact O-N 3.44Å; F229-D232 VanDerWaalsContact O-N 3.14Å; F229-V233 HydrophobicContact CD1-CG2 4.27Å; F229-V233 HydrophobicContact CD2-CG2 4.43Å; F229-V233 HydrophobicContact CE1-CG2 3.91Å; F229-V233 HydrophobicContact CE2-CG2 4.06Å; F229-V233 HydrophobicContact CZ-CG2 3.77Å; F229-V233 VanDerWaalsContact O-CG2 3.27Å; F229-V233 WeakPolarHBondContact O-CG2 3.48Å; F229-V233 PolarHBondContact O-N 3.33Å; F229-V261 HydrophobicContact CD1-CG1 3.95Å; F229-V261 HydrophobicContact CE1-CG1 3.39Å; F229-V261 HydrophobicContact CZ-CG1 4.37Å; F229-L265 HydrophobicContact CD1-CD1 4.3Å; F229-L265 HydrophobicContact CD1-CD2 4.45Å |
| 230 | S | 91.9 | Very high | 92 | Very high | 18 Ų | 18 | 22 Ų | 22 | 13% | 0.126 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.9 | -36.7 | 178.4 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | L226 E227 E228 D232 V233 Q234 N262 L265 | L226-S230 PolarHBondContact O-N 3.22Å; E227-S230 WeakPolarHBondContact O-CB 3.32Å; E227-S230 PolarHBondContact O-N 2.34Å; E228-S230 VanDerWaalsContact C-N 3.29Å; S230-D232 VanDerWaalsContact C-N 3.3Å; S230-D232 PolarHBondContact O-N 3.1Å; S230-V233 PolarHBondContact O-N 3.15Å; S230-Q234 PolarHBondContact O-N 2.84Å; S230-N262 PolarHBondContact OG-OD1 3.38Å; S230-L265 VanDerWaalsContact CB-CD1 3.42Å |
| 231 | M | 91.7 | Very high | 92.2 | Very high | 35 Ų | 35 | 17.2 Ų | 17.2 | 17% | 0.172 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.4 | -39.9 | 178.1 | -69.6 | -173.4 | -73.5 | 0 | 0 | 111 | V155 P160 E227 E228 F229 V233 Q234 L235 | V155-M231 HydrophobicContact CG1-CG 3.98Å; V155-M231 HydrophobicContact CG1-SD 3.79Å; P160-M231 HydrophobicContact CG-CE 4.16Å; E227-M231 WeakPolarHBondContact O-CG 3.26Å; E227-M231 PolarHBondContact O-N 2.82Å; E228-M231 HydrophobicContact CB-CE 3.67Å; E228-M231 HydrophobicContact CG-CE 3.3Å; E228-M231 WeakPolarHBondContact O-CB 3.28Å; E228-M231 PolarHBondContact O-N 3.46Å; F229-M231 PolarHBondContact O-N 2.81Å; M231-V233 VanDerWaalsContact C-N 3.31Å; M231-Q234 WeakPolarHBondContact O-CB 3.47Å; M231-Q234 PolarHBondContact O-N 3.35Å; M231-L235 PolarHBondContact O-N 3.48Å |
| 232 | D | 93.9 | Very high | 92.5 | Very high | 24 Ų | 24 | 16.7 Ų | 16.7 | 13% | 0.128 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.6 | -38.1 | 177.6 | -83.1 | -2.1 | 0 | 0 | 0 | 111 | L214 K217 Y223 E228 F229 S230 Q234 L235 L236 | L214-D232 HydrophobicContact CD2-CB 3.38Å; K217-D232 WeakPolarHBondContact CE-OD2 3.1Å; K217-D232 IonicContact NZ-OD1 3.97Å; K217-D232 IonicContact NZ-OD2 2.87Å; K217-D232 PolarHBondContact NZ-OD2 2.16Å; Y223-D232 HydrophobicContact CE1-CB 4.28Å; Y223-D232 WeakPolarHBondContact CE1-OD2 3.34Å; Y223-D232 PolarHBondContact OH-OD2 3.26Å; E228-D232 PolarHBondContact O-N 3.47Å; F229-D232 WeakPolarHBondContact O-CB 3.14Å; F229-D232 PolarHBondContact O-N 3.44Å; F229-D232 VanDerWaalsContact O-N 3.14Å; S230-D232 VanDerWaalsContact C-N 3.3Å; S230-D232 PolarHBondContact O-N 3.1Å; D232-Q234 VanDerWaalsContact C-N 3.29Å; D232-L235 VanDerWaalsContact O-CB 3.28Å; D232-L235 WeakPolarHBondContact O-CB 3.37Å; D232-L235 PolarHBondContact O-N 2.79Å; D232-L236 PolarHBondContact O-N 3.13Å |
| 233 | V | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65.4 | 0 | 178.2 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | L214 F229 S230 M231 L235 L236 V237 F257 F258 V261 | L214-V233 HydrophobicContact CD1-CG2 4.04Å; F229-V233 HydrophobicContact CD1-CG2 4.27Å; F229-V233 HydrophobicContact CD2-CG2 4.43Å; F229-V233 HydrophobicContact CE1-CG2 3.91Å; F229-V233 HydrophobicContact CE2-CG2 4.06Å; F229-V233 HydrophobicContact CZ-CG2 3.77Å; F229-V233 VanDerWaalsContact O-CG2 3.27Å; F229-V233 WeakPolarHBondContact O-CG2 3.48Å; F229-V233 PolarHBondContact O-N 3.33Å; S230-V233 PolarHBondContact O-N 3.15Å; M231-V233 VanDerWaalsContact C-N 3.31Å; V233-L235 PolarHBondContact O-N 3.1Å; V233-L236 CarbonylContact O-C 3.58Å; V233-L236 WeakPolarHBondContact O-CA 3.38Å; V233-L236 WeakPolarHBondContact O-CB 3.13Å; V233-L236 PolarHBondContact O-N 3.43Å; V233-V237 WeakPolarHBondContact O-CG2 3.13Å; V233-V237 PolarHBondContact O-N 3.07Å; V233-F257 HydrophobicContact CG1-CD1 4.17Å; V233-F257 HydrophobicContact CG1-CE1 4.17Å; V233-F258 HydrophobicContact CB-CD2 4.02Å; V233-F258 HydrophobicContact CB-CE2 4.45Å; V233-F258 HydrophobicContact CG1-CB 4.23Å; V233-F258 HydrophobicContact CG1-CD2 3.51Å; V233-F258 HydrophobicContact CG1-CE2 4.41Å; V233-F258 HydrophobicContact CG1-CG 4.35Å; V233-V261 HydrophobicContact CG2-CG1 4.3Å |
| 234 | Q | 93.8 | Very high | 92.6 | Very high | 51 Ų | 51 | 14.5 Ų | 14.5 | 24% | 0.238 | 8% | 0.076 | C | C | . | . | H | α-helix | 0 | -38.6 | 0 | -172.1 | 174.3 | 20.8 | 0 | 0 | 110.9 | S230 M231 D232 L236 V237 H238 F258 | S230-Q234 PolarHBondContact O-N 2.84Å; M231-Q234 WeakPolarHBondContact O-CB 3.47Å; M231-Q234 PolarHBondContact O-N 3.35Å; D232-Q234 VanDerWaalsContact C-N 3.29Å; Q234-L236 PolarHBondContact O-N 3.04Å; Q234-V237 WeakPolarHBondContact O-CB 2.04Å; Q234-V237 PolarHBondContact O-N 2.94Å; Q234-H238 PolarHBondContact O-N 3.25Å; Q234-F258 HydrophobicContact CB-CE2 4.03Å; Q234-F258 HydrophobicContact CB-CZ 4.28Å | |
| 235 | L | 94.8 | Very high | 92.8 | Very high | 6 Ų | 6 | 13.7 Ų | 13.7 | 3% | 0.031 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.5 | -38.1 | 175.6 | 177.9 | 58.8 | 0 | 0 | 0 | 110.8 | F101 F116 K207 T209 M231 D232 V233 V237 H238 D239 | F101-L235 HydrophobicContact CE1-CD1 4.27Å; F101-L235 HydrophobicContact CZ-CD1 3.81Å; F116-L235 HydrophobicContact CE2-CD1 4.09Å; F116-L235 HydrophobicContact CZ-CD1 4.15Å; F116-L235 HydrophobicContact CZ-CD2 4.22Å; K207-L235 HydrophobicContact CB-CD2 3.82Å; T209-L235 WeakPolarHBondContact OG1-CD2 3.09Å; M231-L235 PolarHBondContact O-N 3.48Å; D232-L235 VanDerWaalsContact O-CB 3.28Å; D232-L235 WeakPolarHBondContact O-CB 3.37Å; D232-L235 PolarHBondContact O-N 2.79Å; V233-L235 PolarHBondContact O-N 3.1Å; L235-V237 VanDerWaalsContact C-N 3.31Å; L235-V237 PolarHBondContact O-N 3.33Å; L235-H238 CarbonylContact O-C 3.01Å; L235-H238 WeakPolarHBondContact O-CB 3.37Å; L235-H238 PolarHBondContact O-N 3.44Å; L235-H238 VanDerWaalsContact O-N 3.15Å; L235-D239 VanDerWaalsContact O-CG 3.28Å; L235-D239 PolarHBondContact O-N 2.83Å |
| 236 | L | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 176.6 | 175.5 | 59.5 | 0 | 0 | 0 | 110.9 | V192 T209 L211 L214 D232 V233 Q234 H238 D239 V240 I254 | V192-L236 HydrophobicContact CG2-CD1 3.9Å; T209-L236 HydrophobicContact CG2-CB 4.31Å; T209-L236 WeakPolarHBondContact O-CD1 3.3Å; L211-L236 HydrophobicContact CD2-CD2 3.72Å; L211-L236 HydrophobicContact CG-CD2 3.91Å; L214-L236 HydrophobicContact CD1-CD2 4.28Å; D232-L236 PolarHBondContact O-N 3.13Å; V233-L236 CarbonylContact O-C 3.58Å; V233-L236 WeakPolarHBondContact O-CA 3.38Å; V233-L236 WeakPolarHBondContact O-CB 3.13Å; V233-L236 PolarHBondContact O-N 3.43Å; Q234-L236 PolarHBondContact O-N 3.04Å; L236-H238 VanDerWaalsContact C-N 3.27Å; L236-H238 PolarHBondContact O-N 2.55Å; L236-D239 PolarHBondContact O-N 3.14Å; L236-V240 HydrophobicContact CD1-CG2 4.11Å; L236-V240 HydrophobicContact CG-CG2 4.38Å; L236-V240 WeakPolarHBondContact O-CG2 3.36Å; L236-V240 PolarHBondContact O-N 3.44Å; L236-I254 HydrophobicContact CD2-CD1 3.72Å; L236-I254 HydrophobicContact CG-CD1 4.02Å; L236-I254 HydrophobicContact CG-CG1 4.27Å |
| 237 | V | 95.2 | Very high | 93.1 | Very high | 11 Ų | 11 | 22.8 Ų | 22.8 | 7% | 0.067 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 177.4 | 171.5 | 0 | 0 | 0 | 0 | 109.4 | V233 Q234 L235 D239 V240 C241 I254 R255 F258 | V233-V237 WeakPolarHBondContact O-CG2 3.13Å; V233-V237 PolarHBondContact O-N 3.07Å; Q234-V237 WeakPolarHBondContact O-CB 2.04Å; Q234-V237 PolarHBondContact O-N 2.94Å; L235-V237 VanDerWaalsContact C-N 3.31Å; L235-V237 PolarHBondContact O-N 3.33Å; V237-D239 VanDerWaalsContact C-N 3.33Å; V237-D239 PolarHBondContact O-N 3.46Å; V237-V240 PolarHBondContact O-N 3.49Å; V237-C241 WeakPolarHBondContact O-CB 3.49Å; V237-C241 PolarHBondContact O-N 3.21Å; V237-C241 PolarHBondContact O-SG 3.47Å; V237-I254 HydrophobicContact CB-CG2 4.44Å; V237-I254 HydrophobicContact CG1-CG2 4.21Å; V237-I254 HydrophobicContact CG2-CG1 3.8Å; V237-I254 HydrophobicContact CG2-CG2 4.23Å; V237-R255 HydrophobicContact CG1-CG 3.91Å; V237-F258 HydrophobicContact CG2-CB 3.69Å; V237-F258 HydrophobicContact CG2-CG 4.14Å |
| 238 | H | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.3 | 0 | -180 | 177.2 | 72.4 | 0 | 0 | 0 | 111.2 | D97 C100 F101 H104 Q234 L235 L236 C241 I242 | D97-H238 IonicContact OD1-NE2 2.37Å; D97-H238 IonicContact OD2-CD2 1.69Å; D97-H238 PolarHBondContact OD2-CD2 3.18Å; D97-H238 VanDerWaalsContact OD2-CD2 3.31Å; D97-H238 IonicContact OD2-NE2 0.95Å; D97-H238 PolarHBondContact OD2-NE2 3.45Å; C100-H238 PolarHBondContact O-CE1 3.36Å; C100-H238 VanDerWaalsContact O-CE1 3.26Å; F101-H238 HydrophobicContact CD1-CB 4.36Å; F101-H238 HydrophobicContact CE1-CB 4.17Å; H104-H238 AromaticContact CE1-ND1 3.5Å; H104-H238 AromaticContact CG-ND1 3.94Å; H104-H238 AromaticContact ND1-CE1 3.6Å; H104-H238 AromaticContact ND1-CG 3.76Å; H104-H238 AromaticContact ND1-ND1 2.77Å; H104-H238 PolarHBondContact ND1-ND1 3.45Å; Q234-H238 PolarHBondContact O-N 3.25Å; L235-H238 CarbonylContact O-C 3.01Å; L235-H238 WeakPolarHBondContact O-CB 3.37Å; L235-H238 PolarHBondContact O-N 3.44Å; L235-H238 VanDerWaalsContact O-N 3.15Å; L236-H238 VanDerWaalsContact C-N 3.27Å; L236-H238 PolarHBondContact O-N 2.55Å; H238-C241 PolarHBondContact O-N 2.88Å; H238-I242 WeakPolarHBondContact CD2-CD1 2.59Å; H238-I242 VanDerWaalsContact CE1-CD1 3.48Å; H238-I242 WeakPolarHBondContact CE1-CD1 2.55Å; H238-I242 WeakPolarHBondContact NE2-CD1 1.96Å; H238-I242 WeakPolarHBondContact O-CG1 3.22Å; H238-I242 PolarHBondContact O-N 3.49Å |
| 239 | D | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | 0 | -40.8 | 0 | -72.4 | -8.8 | 0 | 0 | 0 | 111.3 | V205 T209 L235 L236 V237 C241 I242 L243 | V205-D239 HydrophobicContact CG1-CB 4.16Å; T209-D239 PolarHBondContact N-OD2 3.17Å; L235-D239 VanDerWaalsContact O-CG 3.28Å; L235-D239 PolarHBondContact O-N 2.83Å; L236-D239 PolarHBondContact O-N 3.14Å; V237-D239 VanDerWaalsContact C-N 3.33Å; V237-D239 PolarHBondContact O-N 3.46Å; D239-C241 PolarHBondContact O-N 3.06Å; D239-I242 PolarHBondContact O-N 2.99Å; D239-L243 WeakPolarHBondContact O-CB 3.28Å; D239-L243 VanDerWaalsContact O-CG 3.24Å; D239-L243 WeakPolarHBondContact O-CG 3.16Å; D239-L243 PolarHBondContact O-N 3.15Å | |
| 240 | V | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.1 | -36.9 | -178.7 | 170.2 | 0 | 0 | 0 | 0 | 109.1 | F189 V192 L236 V237 I242 L243 H244 Q250 I254 | F189-V240 HydrophobicContact CD1-CG2 4.01Å; F189-V240 HydrophobicContact CE1-CG1 4.11Å; F189-V240 HydrophobicContact CE1-CG2 4.03Å; V192-V240 HydrophobicContact CB-CG2 4.36Å; V192-V240 HydrophobicContact CG1-CB 4.32Å; V192-V240 HydrophobicContact CG1-CG2 3.52Å; V192-V240 HydrophobicContact CG2-CG2 4.01Å; L236-V240 HydrophobicContact CD1-CG2 4.11Å; L236-V240 HydrophobicContact CG-CG2 4.38Å; L236-V240 WeakPolarHBondContact O-CG2 3.36Å; L236-V240 PolarHBondContact O-N 3.44Å; V237-V240 PolarHBondContact O-N 3.49Å; V240-I242 PolarHBondContact O-N 2.87Å; V240-L243 PolarHBondContact O-N 2.84Å; V240-H244 WeakPolarHBondContact O-CB 1.51Å; V240-H244 PolarHBondContact O-N 2.77Å; V240-Q250 HydrophobicContact CG1-CB 4.07Å; V240-I254 HydrophobicContact CB-CG2 4.06Å; V240-I254 HydrophobicContact CG1-CB 4.42Å; V240-I254 HydrophobicContact CG1-CG2 3.93Å; V240-I254 HydrophobicContact CG2-CB 4.45Å; V240-I254 HydrophobicContact CG2-CG1 4.21Å |
| 241 | C | 94.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.3 | -32.7 | -179.2 | -72.3 | 0 | 0 | 0 | 0 | 110.4 | H104 V237 H238 D239 L243 G245 R255 | H104-C241 HydrophobicContact CB-CB 3.86Å; H104-C241 VanDerWaalsContact CD2-SG 3.59Å; H104-C241 VanDerWaalsContact CG-CB 3.48Å; V237-C241 WeakPolarHBondContact O-CB 3.49Å; V237-C241 PolarHBondContact O-N 3.21Å; V237-C241 PolarHBondContact O-SG 3.47Å; H238-C241 PolarHBondContact O-N 2.88Å; D239-C241 PolarHBondContact O-N 3.06Å; C241-L243 VanDerWaalsContact C-N 3.35Å; C241-G245 CarbonylContact O-C 2.89Å; C241-G245 WeakPolarHBondContact O-CA 3.34Å; C241-G245 PolarHBondContact O-N 2.99Å; C241-R255 PolarHBondContact SG-NH2 3.48Å |
| 242 | I | 94.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -74.3 | -35.9 | 179.6 | -70 | 172.1 | 0 | 0 | 0 | 109.7 | P14 Y99 L204 V205 H238 D239 V240 | P14-I242 HydrophobicContact CB-CG2 3.65Å; P14-I242 WeakPolarHBondContact CB-O 0.83Å; P14-I242 HydrophobicContact CG-CG2 3.97Å; Y99-I242 HydrophobicContact CD2-CD1 3.48Å; Y99-I242 VanDerWaalsContact CD2-CD1 3.48Å; Y99-I242 HydrophobicContact CD2-CG1 4.09Å; Y99-I242 HydrophobicContact CD2-CG2 4.16Å; Y99-I242 HydrophobicContact CE2-CD1 4.28Å; Y99-I242 HydrophobicContact CE2-CG2 3.95Å; Y99-I242 HydrophobicContact CG-CD1 4Å; Y99-I242 HydrophobicContact CG-CG1 4.29Å; L204-I242 HydrophobicContact CB-CG2 4.48Å; V205-I242 HydrophobicContact CG1-CB 4.35Å; V205-I242 HydrophobicContact CG1-CG2 4.21Å; H238-I242 WeakPolarHBondContact CD2-CD1 2.59Å; H238-I242 VanDerWaalsContact CE1-CD1 3.48Å; H238-I242 WeakPolarHBondContact CE1-CD1 2.55Å; H238-I242 WeakPolarHBondContact NE2-CD1 1.96Å; H238-I242 WeakPolarHBondContact O-CG1 3.22Å; H238-I242 PolarHBondContact O-N 3.49Å; D239-I242 PolarHBondContact O-N 2.99Å; V240-I242 PolarHBondContact O-N 2.87Å |
| 243 | L | 92.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -83.7 | -35.3 | -173.1 | -72.7 | 169.7 | 0 | 0 | 0 | 110.4 | R18 V192 N201 L204 V205 D239 V240 C241 | R18-L243 PolarHBondContact NH1-O 3.46Å; V192-L243 HydrophobicContact CB-CD1 4.28Å; V192-L243 HydrophobicContact CG1-CD1 3.6Å; N201-L243 HydrophobicContact CB-CD2 4.49Å; L204-L243 HydrophobicContact CB-CD2 4.3Å; L204-L243 HydrophobicContact CD1-CD2 4Å; V205-L243 HydrophobicContact CG1-CD1 4.28Å; V205-L243 HydrophobicContact CG1-CD2 4.15Å; V205-L243 HydrophobicContact CG1-CG 3.93Å; D239-L243 WeakPolarHBondContact O-CB 3.28Å; D239-L243 VanDerWaalsContact O-CG 3.24Å; D239-L243 WeakPolarHBondContact O-CG 3.16Å; D239-L243 PolarHBondContact O-N 3.15Å; V240-L243 PolarHBondContact O-N 2.84Å; C241-L243 VanDerWaalsContact C-N 3.35Å |
| 244 | H | 91.5 | Very high | 93.5 | Very high | 37 Ų | 37 | 33.1 Ų | 33.1 | 17% | 0.171 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -111.5 | 0 | -172.2 | -68.8 | -75.2 | 0 | 0 | 0 | 109.8 | L15 V240 S248 Q250 | L15-H244 VanDerWaalsContact CD2-C 3.4Å; L15-H244 WeakPolarHBondContact CD2-O 3.06Å; V240-H244 WeakPolarHBondContact O-CB 1.51Å; V240-H244 PolarHBondContact O-N 2.77Å; H244-S248 WeakPolarHBondContact CB-OG 3.23Å; H244-S248 WeakPolarHBondContact O-CB 3.44Å; H244-Q250 HydrophobicContact CB-CB 4.3Å; H244-Q250 PolarHBondContact CD2-OE1 3.43Å; H244-Q250 PolarHBondContact CE1-NE2 3.31Å; H244-Q250 PolarHBondContact CE1-OE1 3.29Å; H244-Q250 VanDerWaalsContact CG-CD 3.48Å; H244-Q250 VanDerWaalsContact ND1-CD 3.26Å; H244-Q250 PolarHBondContact ND1-NE2 3.22Å; H244-Q250 PolarHBondContact ND1-OE1 2.67Å; H244-Q250 VanDerWaalsContact NE2-CD 3.3Å; H244-Q250 PolarHBondContact NE2-OE1 2.96Å |
| 245 | G | 91.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | 0 | 145.2 | 0 | 0 | 0 | 0 | 0 | 0 | 111.6 | C241 Y247 S248 A251 | C241-G245 CarbonylContact O-C 2.89Å; C241-G245 WeakPolarHBondContact O-CA 3.34Å; C241-G245 PolarHBondContact O-N 2.99Å; G245-Y247 PolarHBondContact O-N 3.26Å; G245-S248 PolarHBondContact O-N 3.31Å; G245-S248 PolarHBondContact O-OG 3.19Å; G245-A251 VanDerWaalsContact O-CB 3.31Å; G245-A251 WeakPolarHBondContact O-CB 3.39Å | |||
| 246 | P | 91.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 38.5 Ų | 38.5 | 12% | 0.123 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -20.4 | -175.1 | 21 | -30.5 | 0 | 0 | 0 | 111.8 | A251 R255 | P246-A251 WeakPolarHBondContact O-CB 3.31Å; P246-R255 PolarHBondContact O-NH1 3.12Å; P246-R255 PolarHBondContact O-NH2 3.48Å |
| 247 | Y | 91.8 | Very high | 93.2 | Very high | 182 Ų | 182 | 38.6 Ų | 38.6 | 71% | 0.714 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | 18.7 | -177.6 | -58.4 | -71.5 | 0 | 0 | 0 | 110 | G245 | G245-Y247 PolarHBondContact O-N 3.26Š|
| 248 | S | 92.7 | Very high | 93.1 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -79.6 | 0 | 178.5 | 66.6 | 0 | 0 | 0 | 0 | 110.9 | H244 G245 Q250 A251 D252 | H244-S248 WeakPolarHBondContact CB-OG 3.23Å; H244-S248 WeakPolarHBondContact O-CB 3.44Å; G245-S248 PolarHBondContact O-N 3.31Å; G245-S248 PolarHBondContact O-OG 3.19Å; S248-Q250 PolarHBondContact O-N 3.38Å; S248-A251 WeakPolarHBondContact O-CB 3.36Å; S248-A251 PolarHBondContact O-N 3.24Å; S248-A251 WeakPolarHBondContact OG-CB 3.41Å; S248-A251 PolarHBondContact OG-N 3.36Å; S248-D252 PolarHBondContact O-N 3.19Å; S248-D252 VanDerWaalsContact O-N 3.12Å |
| 249 | N | 92.9 | Very high | 93 | Very high | 130 Ų | 130 | 48.5 Ų | 48.5 | 70% | 0.695 | 22% | 0.22 | S | C | * | . | H | α-helix | 0 | -31.2 | 0 | -69.1 | -23.7 | 0 | 0 | 0 | 111.6 | D252 E253 | N249-D252 PolarHBondContact O-N 2.89Å; N249-E253 WeakPolarHBondContact O-CB 3.19Å; N249-E253 WeakPolarHBondContact O-CG 3.28Å; N249-E253 PolarHBondContact O-N 3.2Å | |
| 250 | Q | 91.5 | Very high | 92.8 | Very high | 65 Ų | 65 | 50.1 Ų | 50.1 | 30% | 0.304 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -71.4 | -37 | 179.4 | -73.2 | -177.9 | 30.3 | 0 | 0 | 110.8 | F189 V240 H244 S248 D252 E253 I254 | F189-Q250 HydrophobicContact CE1-CB 4.27Å; F189-Q250 HydrophobicContact CZ-CB 4.46Å; F189-Q250 WeakPolarHBondContact CZ-O 3.26Å; V240-Q250 HydrophobicContact CG1-CB 4.07Å; H244-Q250 HydrophobicContact CB-CB 4.3Å; H244-Q250 PolarHBondContact CD2-OE1 3.43Å; H244-Q250 PolarHBondContact CE1-NE2 3.31Å; H244-Q250 PolarHBondContact CE1-OE1 3.29Å; H244-Q250 VanDerWaalsContact CG-CD 3.48Å; H244-Q250 VanDerWaalsContact ND1-CD 3.26Å; H244-Q250 PolarHBondContact ND1-NE2 3.22Å; H244-Q250 PolarHBondContact ND1-OE1 2.67Å; H244-Q250 VanDerWaalsContact NE2-CD 3.3Å; H244-Q250 PolarHBondContact NE2-OE1 2.96Å; S248-Q250 PolarHBondContact O-N 3.38Å; Q250-D252 VanDerWaalsContact C-N 3.33Å; Q250-E253 PolarHBondContact O-N 2.61Å; Q250-I254 WeakPolarHBondContact O-CB 3.44Å; Q250-I254 WeakPolarHBondContact O-CG2 3.4Å; Q250-I254 PolarHBondContact O-N 3.37Å |
| 251 | A | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | G245 P246 S248 E253 I254 R255 | G245-A251 VanDerWaalsContact O-CB 3.31Å; G245-A251 WeakPolarHBondContact O-CB 3.39Å; P246-A251 WeakPolarHBondContact O-CB 3.31Å; S248-A251 WeakPolarHBondContact O-CB 3.36Å; S248-A251 PolarHBondContact O-N 3.24Å; S248-A251 WeakPolarHBondContact OG-CB 3.41Å; S248-A251 PolarHBondContact OG-N 3.36Å; A251-E253 VanDerWaalsContact C-N 3.3Å; A251-I254 WeakPolarHBondContact O-CG2 3.31Å; A251-I254 PolarHBondContact O-N 3.46Å; A251-R255 WeakPolarHBondContact O-CB 3.3Å; A251-R255 WeakPolarHBondContact O-CG 2.85Å; A251-R255 PolarHBondContact O-N 3.14Å |
| 252 | D | 93.9 | Very high | 92.5 | Very high | 87 Ų | 87 | 52 Ų | 52 | 47% | 0.465 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67 | -37.9 | 178.8 | -69.4 | -25.2 | 0 | 0 | 0 | 111.1 | S248 N249 Q250 R255 F256 | S248-D252 PolarHBondContact O-N 3.19Å; S248-D252 VanDerWaalsContact O-N 3.12Å; N249-D252 PolarHBondContact O-N 2.89Å; Q250-D252 VanDerWaalsContact C-N 3.33Å; D252-R255 PolarHBondContact O-N 3.45Å; D252-R255 IonicContact OD1-NH1 3.48Å; D252-R255 PolarHBondContact OD1-NH1 3.25Å; D252-F256 WeakPolarHBondContact O-CB 0.89Å; D252-F256 PolarHBondContact O-N 3.04Å |
| 253 | E | 92.9 | Very high | 92.3 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 35% | 0.35 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.5 | -41.8 | -178 | -72.4 | 178.5 | 176.9 | 0 | 0 | 110.5 | L185 F189 N249 Q250 A251 F256 F257 | L185-E253 HydrophobicContact CD2-CB 3.73Å; L185-E253 HydrophobicContact CD2-CG 4.08Å; F189-E253 HydrophobicContact CE2-CB 4.14Å; F189-E253 HydrophobicContact CZ-CB 4Å; N249-E253 WeakPolarHBondContact O-CB 3.19Å; N249-E253 WeakPolarHBondContact O-CG 3.28Å; N249-E253 PolarHBondContact O-N 3.2Å; Q250-E253 PolarHBondContact O-N 2.61Å; A251-E253 VanDerWaalsContact C-N 3.3Å; E253-F256 WeakPolarHBondContact O-CB 2.3Å; E253-F256 PolarHBondContact O-N 2.88Å; E253-F257 PolarHBondContact O-N 3.19Å |
| 254 | I | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73.6 | -33 | -176.8 | -170.3 | 61 | 0 | 0 | 0 | 108.8 | F189 L236 V237 V240 Q250 A251 F256 F257 F258 | F189-I254 HydrophobicContact CD1-CD1 4.17Å; F189-I254 HydrophobicContact CD2-CD1 3.74Å; F189-I254 HydrophobicContact CE1-CB 3.97Å; F189-I254 HydrophobicContact CE1-CD1 4.31Å; F189-I254 HydrophobicContact CE2-CB 4.08Å; F189-I254 HydrophobicContact CE2-CD1 3.89Å; F189-I254 HydrophobicContact CG-CD1 3.89Å; F189-I254 HydrophobicContact CZ-CB 3.65Å; F189-I254 HydrophobicContact CZ-CD1 4.18Å; F189-I254 HydrophobicContact CZ-CG1 4.45Å; L236-I254 HydrophobicContact CD2-CD1 3.72Å; L236-I254 HydrophobicContact CG-CD1 4.02Å; L236-I254 HydrophobicContact CG-CG1 4.27Å; V237-I254 HydrophobicContact CB-CG2 4.44Å; V237-I254 HydrophobicContact CG1-CG2 4.21Å; V237-I254 HydrophobicContact CG2-CG1 3.8Å; V237-I254 HydrophobicContact CG2-CG2 4.23Å; V240-I254 HydrophobicContact CB-CG2 4.06Å; V240-I254 HydrophobicContact CG1-CB 4.42Å; V240-I254 HydrophobicContact CG1-CG2 3.93Å; V240-I254 HydrophobicContact CG2-CB 4.45Å; V240-I254 HydrophobicContact CG2-CG1 4.21Å; Q250-I254 WeakPolarHBondContact O-CB 3.44Å; Q250-I254 WeakPolarHBondContact O-CG2 3.4Å; Q250-I254 PolarHBondContact O-N 3.37Å; A251-I254 WeakPolarHBondContact O-CG2 3.31Å; A251-I254 PolarHBondContact O-N 3.46Å; I254-F256 PolarHBondContact O-N 3.35Å; I254-F257 HydrophobicContact CD1-CB 4.09Å; I254-F257 HydrophobicContact CD1-CD1 3.88Å; I254-F257 HydrophobicContact CD1-CG 4.29Å; I254-F257 CarbonylContact O-C 3.29Å; I254-F257 VanDerWaalsContact O-CB 3.31Å; I254-F257 WeakPolarHBondContact O-CB 2.86Å; I254-F257 PolarHBondContact O-N 2.91Å; I254-F257 VanDerWaalsContact O-N 3.12Å; I254-F258 PolarHBondContact O-N 2.96Å |
| 255 | R | 94.3 | Very high | 92.1 | Very high | 66 Ų | 66 | 53.9 Ų | 53.9 | 25% | 0.249 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 175.5 | -74.7 | -174.9 | -170.2 | 120.4 | 0.9 | 110.4 | V237 C241 P246 A251 D252 F258 R259 | V237-R255 HydrophobicContact CG1-CG 3.91Å; C241-R255 PolarHBondContact SG-NH2 3.48Å; P246-R255 PolarHBondContact O-NH1 3.12Å; P246-R255 PolarHBondContact O-NH2 3.48Å; A251-R255 WeakPolarHBondContact O-CB 3.3Å; A251-R255 WeakPolarHBondContact O-CG 2.85Å; A251-R255 PolarHBondContact O-N 3.14Å; D252-R255 PolarHBondContact O-N 3.45Å; D252-R255 IonicContact OD1-NH1 3.48Å; D252-R255 PolarHBondContact OD1-NH1 3.25Å; R255-F258 WeakPolarHBondContact O-CB 2.69Å; R255-F258 PolarHBondContact O-N 3.23Å; R255-R259 VanDerWaalsContact O-CG 3.27Å; R255-R259 WeakPolarHBondContact O-CG 2.47Å; R255-R259 PolarHBondContact O-N 2.97Å |
| 256 | F | 92 | Very high | 92 | Very high | 104 Ų | 104 | 58 Ų | 58 | 46% | 0.456 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 174.3 | 179.9 | -98.8 | 0 | 0 | 0 | 111.1 | L185 D252 E253 I254 F258 R259 S260 | L185-F256 HydrophobicContact CD1-CD1 3.98Å; L185-F256 HydrophobicContact CD1-CE1 4.46Å; D252-F256 WeakPolarHBondContact O-CB 0.89Å; D252-F256 PolarHBondContact O-N 3.04Å; E253-F256 WeakPolarHBondContact O-CB 2.3Å; E253-F256 PolarHBondContact O-N 2.88Å; I254-F256 PolarHBondContact O-N 3.35Å; F256-F258 VanDerWaalsContact C-N 3.3Å; F256-F258 PolarHBondContact O-N 3.45Å; F256-R259 WeakPolarHBondContact O-CB 1.15Å; F256-R259 PolarHBondContact O-N 3.38Å; F256-S260 PolarHBondContact O-N 2.67Å; F256-S260 PolarHBondContact O-OG 3.48Å |
| 257 | F | 92 | Very high | 91.8 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 1% | 0.013 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 178.1 | 177 | -103.2 | 0 | 0 | 0 | 110.3 | L180 W186 L211 V233 E253 I254 R259 S260 V261 | L180-F257 HydrophobicContact CB-CE2 4.06Å; L180-F257 HydrophobicContact CD1-CE2 4.32Å; L180-F257 HydrophobicContact CD1-CZ 4.47Å; L180-F257 HydrophobicContact CD2-CE2 4.3Å; L180-F257 HydrophobicContact CG-CE2 4.48Å; W186-F257 HydrophobicContact CE3-CE2 4.03Å; W186-F257 AromaticContact CE3-CZ 3.85Å; W186-F257 HydrophobicContact CE3-CZ 3.85Å; W186-F257 HydrophobicContact CZ3-CE2 4.42Å; W186-F257 AromaticContact CZ3-CZ 3.84Å; W186-F257 HydrophobicContact CZ3-CZ 3.84Å; L211-F257 HydrophobicContact CD2-CE1 3.82Å; L211-F257 HydrophobicContact CD2-CZ 3.92Å; V233-F257 HydrophobicContact CG1-CD1 4.17Å; V233-F257 HydrophobicContact CG1-CE1 4.17Å; E253-F257 PolarHBondContact O-N 3.19Å; I254-F257 HydrophobicContact CD1-CB 4.09Å; I254-F257 HydrophobicContact CD1-CD1 3.88Å; I254-F257 HydrophobicContact CD1-CG 4.29Å; I254-F257 CarbonylContact O-C 3.29Å; I254-F257 VanDerWaalsContact O-CB 3.31Å; I254-F257 WeakPolarHBondContact O-CB 2.86Å; I254-F257 PolarHBondContact O-N 2.91Å; I254-F257 VanDerWaalsContact O-N 3.12Å; F257-R259 VanDerWaalsContact C-N 3.3Å; F257-R259 PolarHBondContact O-N 3.24Å; F257-S260 WeakPolarHBondContact O-CB 3.22Å; F257-S260 PolarHBondContact O-N 3.45Å; F257-S260 VanDerWaalsContact O-N 3.08Å; F257-V261 HydrophobicContact CD1-CG2 4.08Å; F257-V261 HydrophobicContact CE1-CG2 3.63Å; F257-V261 HydrophobicContact CE2-CG2 4.26Å; F257-V261 HydrophobicContact CZ-CG2 3.73Å; F257-V261 WeakPolarHBondContact O-CG2 3.45Å; F257-V261 PolarHBondContact O-N 3.41Å |
| 258 | F | 93.3 | Very high | 91.7 | Very high | 42 Ų | 42 | 49.2 Ų | 49.2 | 18% | 0.184 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.4 | -41 | 179.4 | 176.7 | -116.7 | 0 | 0 | 0 | 110.4 | V233 Q234 V237 I254 R255 F256 S260 V261 N262 | V233-F258 HydrophobicContact CB-CD2 4.02Å; V233-F258 HydrophobicContact CB-CE2 4.45Å; V233-F258 HydrophobicContact CG1-CB 4.23Å; V233-F258 HydrophobicContact CG1-CD2 3.51Å; V233-F258 HydrophobicContact CG1-CE2 4.41Å; V233-F258 HydrophobicContact CG1-CG 4.35Å; Q234-F258 HydrophobicContact CB-CE2 4.03Å; Q234-F258 HydrophobicContact CB-CZ 4.28Å; V237-F258 HydrophobicContact CG2-CB 3.69Å; V237-F258 HydrophobicContact CG2-CG 4.14Å; I254-F258 PolarHBondContact O-N 2.96Å; R255-F258 WeakPolarHBondContact O-CB 2.69Å; R255-F258 PolarHBondContact O-N 3.23Å; F256-F258 VanDerWaalsContact C-N 3.3Å; F256-F258 PolarHBondContact O-N 3.45Å; F258-S260 PolarHBondContact O-N 3.28Å; F258-V261 PolarHBondContact O-N 3.05Å; F258-N262 WeakPolarHBondContact CD1-ND2 3.4Å; F258-N262 WeakPolarHBondContact CE1-ND2 3.35Å; F258-N262 VanDerWaalsContact CE2-ND2 3.3Å; F258-N262 WeakPolarHBondContact CE2-ND2 2.96Å; F258-N262 WeakPolarHBondContact CZ-ND2 3.46Å; F258-N262 PolarHBondContact O-N 3.26Å |
| 259 | R | 92.5 | Very high | 91.4 | Very high | 177 Ų | 177 | 51.8 Ų | 51.8 | 67% | 0.668 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.5 | -37.3 | 177.2 | -68.7 | 179.2 | -178.1 | 161.6 | 0.4 | 111.2 | R255 F256 F257 V261 N262 A263 | R255-R259 VanDerWaalsContact O-CG 3.27Å; R255-R259 WeakPolarHBondContact O-CG 2.47Å; R255-R259 PolarHBondContact O-N 2.97Å; F256-R259 WeakPolarHBondContact O-CB 1.15Å; F256-R259 PolarHBondContact O-N 3.38Å; F257-R259 VanDerWaalsContact C-N 3.3Å; F257-R259 PolarHBondContact O-N 3.24Å; R259-V261 VanDerWaalsContact C-N 3.34Å; R259-N262 PolarHBondContact O-N 3.02Å; R259-A263 VanDerWaalsContact O-CB 3.3Å; R259-A263 WeakPolarHBondContact O-CB 3.22Å; R259-A263 PolarHBondContact O-N 3.47Å |
| 260 | S | 90.5 | Very high | 91.2 | Very high | 34 Ų | 34 | 46.9 Ų | 46.9 | 24% | 0.238 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.9 | -41.7 | 179.2 | -64 | 0 | 0 | 0 | 0 | 111 | F256 F257 F258 N262 A263 E264 | F256-S260 PolarHBondContact O-N 2.67Å; F256-S260 PolarHBondContact O-OG 3.48Å; F257-S260 WeakPolarHBondContact O-CB 3.22Å; F257-S260 PolarHBondContact O-N 3.45Å; F257-S260 VanDerWaalsContact O-N 3.08Å; F258-S260 PolarHBondContact O-N 3.28Å; S260-N262 VanDerWaalsContact C-N 3.34Å; S260-A263 WeakPolarHBondContact O-CB 3.32Å; S260-A263 PolarHBondContact O-N 3.04Å; S260-E264 WeakPolarHBondContact O-CG 3.42Å; S260-E264 PolarHBondContact O-N 3.23Å; S260-E264 VanDerWaalsContact O-N 3.07Å |
| 261 | V | 91.6 | Very high | 91 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.7 | -43.2 | 179.9 | 168.6 | 0 | 0 | 0 | 0 | 109.1 | L180 F229 V233 F257 F258 R259 A263 E264 L265 | L180-V261 HydrophobicContact CD1-CG2 3.57Å; F229-V261 HydrophobicContact CD1-CG1 3.95Å; F229-V261 HydrophobicContact CE1-CG1 3.39Å; F229-V261 HydrophobicContact CZ-CG1 4.37Å; V233-V261 HydrophobicContact CG2-CG1 4.3Å; F257-V261 HydrophobicContact CD1-CG2 4.08Å; F257-V261 HydrophobicContact CE1-CG2 3.63Å; F257-V261 HydrophobicContact CE2-CG2 4.26Å; F257-V261 HydrophobicContact CZ-CG2 3.73Å; F257-V261 WeakPolarHBondContact O-CG2 3.45Å; F257-V261 PolarHBondContact O-N 3.41Å; F258-V261 PolarHBondContact O-N 3.05Å; R259-V261 VanDerWaalsContact C-N 3.34Å; V261-A263 PolarHBondContact O-N 2.88Å; V261-E264 WeakPolarHBondContact O-CB 3.39Å; V261-E264 PolarHBondContact O-N 3.4Å; V261-L265 HydrophobicContact CG1-CD1 4.13Å; V261-L265 HydrophobicContact CG1-CG 4.24Å; V261-L265 WeakPolarHBondContact O-CG 2.78Å; V261-L265 PolarHBondContact O-N 3.36Å |
| 262 | N | 91.6 | Very high | 90.7 | Very high | 38 Ų | 38 | 45.7 Ų | 45.7 | 20% | 0.203 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.5 | -34.7 | -179.7 | -82.6 | -26.1 | 0 | 0 | 0 | 111.4 | S230 F258 R259 S260 E264 L265 N266 | S230-N262 PolarHBondContact OG-OD1 3.38Å; F258-N262 WeakPolarHBondContact CD1-ND2 3.4Å; F258-N262 WeakPolarHBondContact CE1-ND2 3.35Å; F258-N262 VanDerWaalsContact CE2-ND2 3.3Å; F258-N262 WeakPolarHBondContact CE2-ND2 2.96Å; F258-N262 WeakPolarHBondContact CZ-ND2 3.46Å; F258-N262 PolarHBondContact O-N 3.26Å; R259-N262 PolarHBondContact O-N 3.02Å; S260-N262 VanDerWaalsContact C-N 3.34Å; N262-E264 PolarHBondContact O-N 3.19Å; N262-L265 PolarHBondContact O-N 2.84Å; N262-N266 VanDerWaalsContact O-CB 3.22Å; N262-N266 WeakPolarHBondContact O-CB 3.24Å; N262-N266 PolarHBondContact O-N 3.38Å; N262-N266 PolarHBondContact O-ND2 3.22Å; N262-N266 VanDerWaalsContact O-ND2 3.16Å |
| 263 | A | 89 | Confident | 90.3 | Very high | 41 Ų | 41 | 41.9 Ų | 41.9 | 34% | 0.339 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.7 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R259 S260 V261 N266 E267 | R259-A263 VanDerWaalsContact O-CB 3.3Å; R259-A263 WeakPolarHBondContact O-CB 3.22Å; R259-A263 PolarHBondContact O-N 3.47Å; S260-A263 WeakPolarHBondContact O-CB 3.32Å; S260-A263 PolarHBondContact O-N 3.04Å; V261-A263 PolarHBondContact O-N 2.88Å; A263-N266 PolarHBondContact O-N 3.45Å; A263-E267 PolarHBondContact O-N 3.15Å |
| 264 | E | 90.7 | Very high | 90.2 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 16% | 0.159 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.5 | -40 | 178.7 | -70.3 | -67 | 138.5 | 0 | 0 | 110.8 | A176 S260 V261 N262 N266 E267 I268 Y275 K279 | A176-E264 HydrophobicContact CB-CB 4.21Å; S260-E264 WeakPolarHBondContact O-CG 3.42Å; S260-E264 PolarHBondContact O-N 3.23Å; S260-E264 VanDerWaalsContact O-N 3.07Å; V261-E264 WeakPolarHBondContact O-CB 3.39Å; V261-E264 PolarHBondContact O-N 3.4Å; N262-E264 PolarHBondContact O-N 3.19Å; E264-N266 VanDerWaalsContact C-N 3.33Å; E264-E267 WeakPolarHBondContact O-CB 2.94Å; E264-E267 PolarHBondContact O-N 3.49Å; E264-I268 WeakPolarHBondContact O-CG1 3.47Å; E264-I268 PolarHBondContact O-N 2.95Å; E264-Y275 VanDerWaalsContact OE2-CE2 3.23Å; E264-Y275 WeakPolarHBondContact OE2-CE2 3.43Å; E264-Y275 PolarHBondContact OE2-OH 2.53Å; E264-K279 IonicContact OE1-NZ 2.76Å |
| 265 | L | 90.6 | Very high | 89.9 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.9 | -40.2 | -178.6 | -67.2 | -178.3 | 0 | 0 | 0 | 110.1 | L173 L226 F229 S230 V261 N262 E267 I268 Q269 | L173-L265 HydrophobicContact CD2-CD2 4.03Å; L226-L265 HydrophobicContact CB-CD2 4.17Å; L226-L265 HydrophobicContact CD2-CD2 4.07Å; F229-L265 HydrophobicContact CD1-CD1 4.3Å; F229-L265 HydrophobicContact CD1-CD2 4.45Å; S230-L265 VanDerWaalsContact CB-CD1 3.42Å; V261-L265 HydrophobicContact CG1-CD1 4.13Å; V261-L265 HydrophobicContact CG1-CG 4.24Å; V261-L265 WeakPolarHBondContact O-CG 2.78Å; V261-L265 PolarHBondContact O-N 3.36Å; N262-L265 PolarHBondContact O-N 2.84Å; L265-E267 PolarHBondContact O-N 2.88Å; L265-I268 HydrophobicContact CD2-CD1 4.2Å; L265-I268 WeakPolarHBondContact O-CB 3.12Å; L265-I268 PolarHBondContact O-N 3.33Å; L265-I268 VanDerWaalsContact O-N 3.13Å; L265-Q269 WeakPolarHBondContact O-CG 3.4Å; L265-Q269 PolarHBondContact O-N 3.3Å |
| 266 | N | 88.7 | Confident | 89.5 | Confident | 87 Ų | 87 | 36.7 Ų | 36.7 | 47% | 0.465 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.5 | -32.3 | 176.6 | -74.9 | -23.8 | 0 | 0 | 0 | 111.7 | N262 A263 E264 I268 Q269 L270 | N262-N266 VanDerWaalsContact O-CB 3.22Å; N262-N266 WeakPolarHBondContact O-CB 3.24Å; N262-N266 PolarHBondContact O-N 3.38Å; N262-N266 PolarHBondContact O-ND2 3.22Å; N262-N266 VanDerWaalsContact O-ND2 3.16Å; A263-N266 PolarHBondContact O-N 3.45Å; E264-N266 VanDerWaalsContact C-N 3.33Å; N266-I268 VanDerWaalsContact C-N 3.26Å; N266-I268 PolarHBondContact O-N 3.43Å; N266-Q269 PolarHBondContact O-N 3.32Å; N266-L270 VanDerWaalsContact O-CG 3.28Å; N266-L270 WeakPolarHBondContact O-CG 3.37Å; N266-L270 PolarHBondContact O-N 3.47Å |
| 267 | E | 88.4 | Confident | 89.2 | Confident | 18 Ų | 18 | 32 Ų | 32 | 8% | 0.084 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70 | -36.9 | 177.7 | -168.7 | 166.2 | 174 | 0 | 0 | 111.4 | A263 E264 L265 Q269 L270 C271 Y275 R335 R343 | A263-E267 PolarHBondContact O-N 3.15Å; E264-E267 WeakPolarHBondContact O-CB 2.94Å; E264-E267 PolarHBondContact O-N 3.49Å; L265-E267 PolarHBondContact O-N 2.88Å; E267-Q269 PolarHBondContact O-N 2.93Å; E267-L270 PolarHBondContact O-N 2.6Å; E267-C271 PolarHBondContact O-N 3.46Å; E267-Y275 HydrophobicContact CB-CD2 3.8Å; E267-Y275 HydrophobicContact CB-CE2 4.21Å; E267-Y275 HydrophobicContact CG-CD2 3.52Å; E267-Y275 HydrophobicContact CG-CE2 4.27Å; E267-Y275 HydrophobicContact CG-CG 4.47Å; E267-R335 IonicContact OE1-CZ 3.62Å; E267-R335 IonicContact OE1-NH1 3.96Å; E267-R335 IonicContact OE1-NH2 3.75Å; E267-R335 PolarHBondContact OE1-NH2 2.79Å; E267-R343 IonicContact OE2-CZ 3.62Å; E267-R343 IonicContact OE2-NH1 3.75Å; E267-R343 IonicContact OE2-NH2 3.56Å; E267-R343 PolarHBondContact OE2-NH2 3.02Å |
| 268 | I | 89 | Confident | 88.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66 | 0 | 178.9 | -68.9 | 172.5 | 0 | 0 | 0 | 109.4 | F164 L172 A176 L226 E264 L265 N266 C271 T272 Y275 | F164-I268 HydrophobicContact CE2-CG2 4.36Å; F164-I268 HydrophobicContact CZ-CG2 4.42Å; L172-I268 HydrophobicContact CB-CD1 4.32Å; L172-I268 HydrophobicContact CD1-CG2 3.98Å; L172-I268 HydrophobicContact CD2-CG2 4.35Å; A176-I268 HydrophobicContact CB-CD1 4.11Å; L226-I268 HydrophobicContact CD1-CB 4.24Å; L226-I268 HydrophobicContact CD1-CG2 3.47Å; L226-I268 VanDerWaalsContact CD1-CG2 3.47Å; E264-I268 WeakPolarHBondContact O-CG1 3.47Å; E264-I268 PolarHBondContact O-N 2.95Å; L265-I268 HydrophobicContact CD2-CD1 4.2Å; L265-I268 WeakPolarHBondContact O-CB 3.12Å; L265-I268 PolarHBondContact O-N 3.33Å; L265-I268 VanDerWaalsContact O-N 3.13Å; N266-I268 VanDerWaalsContact C-N 3.26Å; N266-I268 PolarHBondContact O-N 3.43Å; I268-C271 CarbonylContact O-C 3.36Å; I268-T272 WeakPolarHBondContact O-CA 2.91Å; I268-T272 PolarHBondContact O-N 3.27Å; I268-T272 VanDerWaalsContact O-N 3.15Å; I268-T272 PolarHBondContact O-OG1 3.48Å; I268-Y275 HydrophobicContact CB-CG 4.48Å; I268-Y275 HydrophobicContact CD1-CD1 4.26Å; I268-Y275 HydrophobicContact CD1-CE1 3.79Å; I268-Y275 HydrophobicContact CD1-CE2 4.47Å; I268-Y275 HydrophobicContact CG1-CD1 3.45Å; I268-Y275 VanDerWaalsContact CG1-CD1 3.45Å; I268-Y275 HydrophobicContact CG1-CD2 3.75Å; I268-Y275 HydrophobicContact CG1-CE1 3.43Å; I268-Y275 VanDerWaalsContact CG1-CE1 3.43Å; I268-Y275 HydrophobicContact CG1-CE2 3.74Å; I268-Y275 HydrophobicContact CG1-CG 3.61Å |
| 269 | Q | 86.9 | Confident | 88.4 | Confident | 80 Ų | 80 | 35.1 Ų | 35.1 | 37% | 0.374 | 18% | 0.179 | S | C | . | . | H | α-helix | 0 | 0 | 0 | -73.8 | -178.9 | -4.1 | 0 | 0 | 110.6 | E227 L265 N266 E267 | E227-Q269 VanDerWaalsContact CD-NE2 3.34Å; E227-Q269 PolarHBondContact OE1-NE2 3.04Å; L265-Q269 WeakPolarHBondContact O-CG 3.4Å; L265-Q269 PolarHBondContact O-N 3.3Å; N266-Q269 PolarHBondContact O-N 3.32Å; E267-Q269 PolarHBondContact O-N 2.93Å | |
| 270 | L | 87.9 | Confident | 87.7 | Confident | 26 Ų | 26 | 28.2 Ų | 28.2 | 14% | 0.136 | 16% | 0.16 | C | C | . | . | H | α-helix | 0 | -47.7 | 0 | -71.1 | 172.5 | 0 | 0 | 0 | 111.5 | N266 E267 L325 L326 E333 | N266-L270 VanDerWaalsContact O-CG 3.28Å; N266-L270 WeakPolarHBondContact O-CG 3.37Å; N266-L270 PolarHBondContact O-N 3.47Å; E267-L270 PolarHBondContact O-N 2.6Å; L270-L325 HydrophobicContact CB-CB 4.13Å; L270-L325 HydrophobicContact CB-CD1 4.34Å; L270-L325 HydrophobicContact CD1-CD1 3.93Å; L270-L325 HydrophobicContact CD2-CB 4.28Å; L270-L326 HydrophobicContact CD2-CB 3.77Å; L270-L326 HydrophobicContact CD2-CD2 4.22Å; L270-E333 HydrophobicContact CD1-CG 4.28Å; L270-E333 VanDerWaalsContact CD1-OE1 3.27Å; L270-E333 WeakPolarHBondContact CD1-OE1 3.49Å; L270-E333 VanDerWaalsContact CD2-CD 3.46Å; L270-E333 HydrophobicContact CD2-CG 4.26Å; L270-E333 WeakPolarHBondContact CD2-OE2 3.34Å | |
| 271 | C | 88.3 | Confident | 86.7 | Confident | 15 Ų | 15 | 28.2 Ų | 28.2 | 10% | 0.101 | 16% | 0.155 | C | C | . | . | trans | -165.2 | 115.8 | 172.1 | 174.8 | 0 | 0 | 0 | 0 | 108.8 | E267 I268 D273 C274 Y275 C290 H294 L325 | E267-C271 PolarHBondContact O-N 3.46Å; I268-C271 CarbonylContact O-C 3.36Å; C271-D273 VanDerWaalsContact C-N 3.32Å; C271-D273 PolarHBondContact O-N 3.29Å; C271-C274 HydrophobicContact CB-CB 3.76Å; C271-C274 PolarHBondContact O-N 2.77Å; C271-C274 PolarHBondContact SG-N 3.08Å; C271-C274 VanDerWaalsContact SG-SG 3.62Å; C271-Y275 WeakPolarHBondContact O-CB 3.22Å; C271-Y275 PolarHBondContact O-N 2.95Å; C271-C290 VanDerWaalsContact SG-SG 3.67Å; C271-H294 VanDerWaalsContact CB-CE1 3.4Å; C271-H294 WeakPolarHBondContact CB-CE1 3.42Å; C271-H294 PolarHBondContact SG-CE1 2.84Å; C271-H294 PolarHBondContact SG-NE2 3.21Å; C271-L325 HydrophobicContact CB-CD2 4.34Å | ||
| 272 | T | 87.1 | Confident | 85.7 | Confident | 26 Ų | 26 | 32.5 Ų | 32.5 | 16% | 0.16 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | -177.1 | -59.3 | 0 | 0 | 0 | 0 | 110.4 | F164 L172 I268 Y275 I276 | F164-T272 HydrophobicContact CE1-CG2 4.18Å; F164-T272 WeakPolarHBondContact CE1-OG1 3.34Å; F164-T272 WeakPolarHBondContact CZ-OG1 3.45Å; L172-T272 HydrophobicContact CD1-CG2 4.24Å; L172-T272 HydrophobicContact CD2-CG2 3.88Å; I268-T272 WeakPolarHBondContact O-CA 2.91Å; I268-T272 PolarHBondContact O-N 3.27Å; I268-T272 VanDerWaalsContact O-N 3.15Å; I268-T272 PolarHBondContact O-OG1 3.48Å; T272-Y275 WeakPolarHBondContact O-CB 3.28Å; T272-Y275 PolarHBondContact O-N 3.12Å; T272-I276 HydrophobicContact CG2-CD1 3.79Å; T272-I276 HydrophobicContact CG2-CG1 4.31Å; T272-I276 VanDerWaalsContact O-CG1 3.26Å; T272-I276 WeakPolarHBondContact O-CG1 3.27Å; T272-I276 PolarHBondContact O-N 3.22Å |
| 273 | D | 86 | Confident | 84.9 | Confident | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65 | 0 | 179.7 | -69.5 | -32 | 0 | 0 | 0 | 111.1 | C271 Y275 I276 N277 C290 K291 S400 | C271-D273 VanDerWaalsContact C-N 3.32Å; C271-D273 PolarHBondContact O-N 3.29Å; D273-Y275 PolarHBondContact O-N 3Å; D273-I276 PolarHBondContact O-N 3.15Å; D273-N277 WeakPolarHBondContact O-CB 3.48Å; D273-N277 PolarHBondContact O-N 3.05Å; D273-N277 PolarHBondContact O-ND2 2.82Å; D273-N277 VanDerWaalsContact O-ND2 3.12Å; D273-C290 HydrophobicContact CB-CB 3.91Å; D273-K291 PolarHBondContact OD2-N 2.46Å; D273-S400 WeakPolarHBondContact OD1-CB 3.33Å; D273-S400 CovalentContact OD1-OG 1.37Å; D273-S400 PolarHBondContact OD1-OG 2.81Å; D273-S400 PolarHBondContact OD2-OG 2.36Å |
| 274 | C | 89.3 | Confident | 84.4 | Confident | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | H | α-helix | 0 | -35.7 | 0 | -81.4 | 0 | 0 | 0 | 0 | 110.5 | C271 A278 C290 H294 | C271-C274 HydrophobicContact CB-CB 3.76Å; C271-C274 PolarHBondContact O-N 2.77Å; C271-C274 PolarHBondContact SG-N 3.08Å; C271-C274 VanDerWaalsContact SG-SG 3.62Å; C274-A278 WeakPolarHBondContact O-CB 3.13Å; C274-A278 PolarHBondContact O-N 3.26Å; C274-C290 PolarHBondContact SG-SG 2.85Å; C274-H294 PolarHBondContact SG-CD2 3.42Å; C274-H294 PolarHBondContact SG-NE2 3.41Å | |
| 275 | Y | 88.5 | Confident | 84.3 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.6 | -48.5 | -179.7 | 177.7 | -103.3 | 0 | 0 | 0 | 110.9 | L172 F175 A176 E264 E267 I268 C271 T272 D273 N277 A278 K279 | L172-Y275 HydrophobicContact CD2-CD1 4.33Å; F175-Y275 HydrophobicContact CB-CE1 4.45Å; A176-Y275 WeakPolarHBondContact CA-OH 3.39Å; A176-Y275 VanDerWaalsContact CB-OH 3.29Å; A176-Y275 WeakPolarHBondContact CB-OH 3.07Å; A176-Y275 PolarHBondContact N-OH 2.83Å; E264-Y275 VanDerWaalsContact OE2-CE2 3.23Å; E264-Y275 WeakPolarHBondContact OE2-CE2 3.43Å; E264-Y275 PolarHBondContact OE2-OH 2.53Å; E267-Y275 HydrophobicContact CB-CD2 3.8Å; E267-Y275 HydrophobicContact CB-CE2 4.21Å; E267-Y275 HydrophobicContact CG-CD2 3.52Å; E267-Y275 HydrophobicContact CG-CE2 4.27Å; E267-Y275 HydrophobicContact CG-CG 4.47Å; I268-Y275 HydrophobicContact CB-CG 4.48Å; I268-Y275 HydrophobicContact CD1-CD1 4.26Å; I268-Y275 HydrophobicContact CD1-CE1 3.79Å; I268-Y275 HydrophobicContact CD1-CE2 4.47Å; I268-Y275 HydrophobicContact CG1-CD1 3.45Å; I268-Y275 VanDerWaalsContact CG1-CD1 3.45Å; I268-Y275 HydrophobicContact CG1-CD2 3.75Å; I268-Y275 HydrophobicContact CG1-CE1 3.43Å; I268-Y275 VanDerWaalsContact CG1-CE1 3.43Å; I268-Y275 HydrophobicContact CG1-CE2 3.74Å; I268-Y275 HydrophobicContact CG1-CG 3.61Å; C271-Y275 WeakPolarHBondContact O-CB 3.22Å; C271-Y275 PolarHBondContact O-N 2.95Å; T272-Y275 WeakPolarHBondContact O-CB 3.28Å; T272-Y275 PolarHBondContact O-N 3.12Å; D273-Y275 PolarHBondContact O-N 3Å; Y275-N277 VanDerWaalsContact C-N 3.32Å; Y275-N277 PolarHBondContact O-N 2.94Å; Y275-A278 PolarHBondContact O-N 3.31Å; Y275-K279 HydrophobicContact CD2-CG 4.44Å; Y275-K279 HydrophobicContact CE1-CG 4.44Å; Y275-K279 HydrophobicContact CE2-CG 4.16Å; Y275-K279 WeakPolarHBondContact O-CB 3.18Å; Y275-K279 VanDerWaalsContact O-CG 3.31Å; Y275-K279 WeakPolarHBondContact O-CG 3.21Å; Y275-K279 PolarHBondContact O-N 3.49Å |
| 276 | I | 85.5 | Confident | 84.2 | Confident | 23 Ų | 23 | 36 Ų | 36 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.1 | -42.9 | -177.5 | -70.3 | 173.3 | 0 | 0 | 0 | 109.2 | L172 T272 D273 A278 K279 A280 L406 S473 | L172-I276 HydrophobicContact CD2-CD1 4.22Å; L172-I276 HydrophobicContact CD2-CG1 4.12Å; T272-I276 HydrophobicContact CG2-CD1 3.79Å; T272-I276 HydrophobicContact CG2-CG1 4.31Å; T272-I276 VanDerWaalsContact O-CG1 3.26Å; T272-I276 WeakPolarHBondContact O-CG1 3.27Å; T272-I276 PolarHBondContact O-N 3.22Å; D273-I276 PolarHBondContact O-N 3.15Å; I276-A278 VanDerWaalsContact C-N 3.27Å; I276-A278 PolarHBondContact O-N 3.48Å; I276-K279 CarbonylContact O-C 2.76Å; I276-K279 PolarHBondContact O-N 3.26Å; I276-K279 VanDerWaalsContact O-N 3.14Å; I276-A280 HydrophobicContact CG2-CB 4.29Å; I276-A280 WeakPolarHBondContact O-CA 3.46Å; I276-A280 WeakPolarHBondContact O-CB 3.47Å; I276-A280 PolarHBondContact O-N 2.93Å; I276-L406 HydrophobicContact CG2-CD2 4.11Å; I276-S473 VanDerWaalsContact C-OG 3.27Å; I276-S473 WeakPolarHBondContact O-CB 3.38Å; I276-S473 PolarHBondContact O-OG 2.94Å; I276-S473 VanDerWaalsContact O-OG 3.09Å |
| 277 | N | 86.6 | Confident | 84.2 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.032 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.1 | -40.1 | -179.6 | -72.4 | -18 | 0 | 0 | 0 | 111.5 | D273 Y275 K279 R281 W285 K288 G471 G472 S473 | D273-N277 WeakPolarHBondContact O-CB 3.48Å; D273-N277 PolarHBondContact O-N 3.05Å; D273-N277 PolarHBondContact O-ND2 2.82Å; D273-N277 VanDerWaalsContact O-ND2 3.12Å; Y275-N277 VanDerWaalsContact C-N 3.32Å; Y275-N277 PolarHBondContact O-N 2.94Å; N277-K279 PolarHBondContact O-N 2.81Å; N277-R281 PolarHBondContact O-N 3.39Å; N277-W285 HydrophobicContact CB-CB 4.27Å; N277-W285 HydrophobicContact CB-CE3 4.12Å; N277-W285 WeakPolarHBondContact O-CB 3.44Å; N277-K288 WeakPolarHBondContact ND2-CB 3.41Å; N277-G471 PolarHBondContact ND2-O 3.1Å; N277-G472 VanDerWaalsContact CB-O 3.3Å; N277-G472 WeakPolarHBondContact CB-O 3.28Å; N277-G472 CovalentContact CG-CA 1.62Å; N277-G472 WeakPolarHBondContact ND2-CA 1.4Å; N277-G472 CovalentContact ND2-N 1.39Å; N277-G472 PolarHBondContact ND2-N 3.34Å; N277-G472 PolarHBondContact ND2-O 3.15Å; N277-G472 CovalentContact OD1-CA 1.25Å; N277-G472 WeakPolarHBondContact OD1-CA 3.49Å; N277-G472 PolarHBondContact OD1-N 3.48Å; N277-G472 PolarHBondContact OD1-O 3.36Å; N277-S473 CovalentContact C-CB 1.35Å; N277-S473 CovalentContact C-OG 0.46Å; N277-S473 WeakPolarHBondContact CA-OG 3.23Å; N277-S473 CovalentContact CB-N 1.34Å; N277-S473 WeakPolarHBondContact CB-OG 3.35Å; N277-S473 VanDerWaalsContact CG-CA 3.43Å; N277-S473 PolarHBondContact N-OG 1.01Å; N277-S473 PolarHBondContact ND2-N 2.24Å; N277-S473 CarbonylContact O-C 2.63Å; N277-S473 WeakPolarHBondContact O-CA 3.33Å; N277-S473 CovalentContact O-CB 0.87Å; N277-S473 WeakPolarHBondContact O-CB 1.26Å; N277-S473 PolarHBondContact O-N 2.44Å; N277-S473 CovalentContact O-OG 1.06Å; N277-S473 PolarHBondContact O-OG 3.3Å; N277-S473 PolarHBondContact OD1-N 2.05Å |
| 278 | A | 85.9 | Confident | 84.2 | Confident | 21 Ų | 21 | 31.4 Ų | 31.4 | 17% | 0.174 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.3 | -30.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | C274 Y275 I276 W285 S473 | C274-A278 WeakPolarHBondContact O-CB 3.13Å; C274-A278 PolarHBondContact O-N 3.26Å; Y275-A278 PolarHBondContact O-N 3.31Å; I276-A278 VanDerWaalsContact C-N 3.27Å; I276-A278 PolarHBondContact O-N 3.48Å; A278-W285 HydrophobicContact CB-CD2 3.74Å; A278-W285 HydrophobicContact CB-CE3 3.39Å; A278-W285 HydrophobicContact CB-CH2 3.48Å; A278-W285 VanDerWaalsContact CB-CH2 3.48Å; A278-W285 HydrophobicContact CB-CZ2 3.83Å; A278-W285 HydrophobicContact CB-CZ3 3.23Å; A278-W285 VanDerWaalsContact N-CE3 3.32Å; A278-S473 VanDerWaalsContact CA-CB 3.49Å; A278-S473 WeakPolarHBondContact CA-OG 2.98Å; A278-S473 PolarHBondContact N-OG 2.76Å; A278-S473 PolarHBondContact O-OG 2.95Å |
| 279 | K | 82.3 | Confident | 84.1 | Confident | 89 Ų | 89 | 31.5 Ų | 31.5 | 39% | 0.387 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -96.8 | -30.9 | -174 | -69.8 | -72.4 | -176.1 | -173.8 | 0 | 110.7 | E264 Y275 I276 N277 R281 S473 | E264-K279 IonicContact OE1-NZ 2.76Å; Y275-K279 HydrophobicContact CD2-CG 4.44Å; Y275-K279 HydrophobicContact CE1-CG 4.44Å; Y275-K279 HydrophobicContact CE2-CG 4.16Å; Y275-K279 WeakPolarHBondContact O-CB 3.18Å; Y275-K279 VanDerWaalsContact O-CG 3.31Å; Y275-K279 WeakPolarHBondContact O-CG 3.21Å; Y275-K279 PolarHBondContact O-N 3.49Å; I276-K279 CarbonylContact O-C 2.76Å; I276-K279 PolarHBondContact O-N 3.26Å; I276-K279 VanDerWaalsContact O-N 3.14Å; N277-K279 PolarHBondContact O-N 2.81Å; K279-R281 VanDerWaalsContact C-N 3.32Å; K279-S473 PolarHBondContact N-OG 3.26Å |
| 280 | A | 77.5 | Confident | 84.2 | Confident | 32 Ų | 32 | 27.8 Ų | 27.8 | 26% | 0.264 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -82 | -21.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I276 P474 | I276-A280 HydrophobicContact CG2-CB 4.29Å; I276-A280 WeakPolarHBondContact O-CA 3.46Å; I276-A280 WeakPolarHBondContact O-CB 3.47Å; I276-A280 PolarHBondContact O-N 2.93Å; A280-P474 VanDerWaalsContact C-CA 3.47Å; A280-P474 VanDerWaalsContact C-CB 3.44Å; A280-P474 WeakPolarHBondContact O-CB 3.45Å |
| 281 | R | 69.7 | Low | 83.9 | Confident | 35 Ų | 35 | 30.1 Ų | 30.1 | 13% | 0.132 | 16% | 0.164 | C | C | . | . | trans | -130 | 138.8 | -170.7 | -62.8 | -177 | 179.8 | 174.4 | 1.1 | 109.7 | N277 K279 W285 K288 S473 P474 A475 | N277-R281 PolarHBondContact O-N 3.39Å; K279-R281 VanDerWaalsContact C-N 3.32Å; R281-W285 HydrophobicContact CB-CB 3.88Å; R281-K288 CovalentContact CZ-NZ 0.54Å; R281-K288 CovalentContact NE-NZ 1.24Å; R281-K288 CovalentContact NH1-CE 0.76Å; R281-K288 CovalentContact NH1-NZ 1.16Å; R281-S473 VanDerWaalsContact CB-CB 3.47Å; R281-S473 WeakPolarHBondContact CB-O 3.14Å; R281-S473 WeakPolarHBondContact CD-O 1.52Å; R281-S473 WeakPolarHBondContact CG-O 2.98Å; R281-S473 VanDerWaalsContact N-CB 3.34Å; R281-S473 PolarHBondContact NE-O 3.14Å; R281-S473 PolarHBondContact NH1-O 3.06Å; R281-P474 CarbonylContact C-O 3.19Å; R281-P474 WeakPolarHBondContact CA-O 2.97Å; R281-P474 HydrophobicContact CB-CB 1.63Å; R281-P474 HydrophobicContact CB-CG 2.5Å; R281-P474 CovalentContact CB-N 1.45Å; R281-P474 WeakPolarHBondContact CB-O 2.76Å; R281-P474 CovalentContact CD-CD 1.46Å; R281-P474 CovalentContact CD-CG 1.33Å; R281-P474 CovalentContact CG-CA 1.56Å; R281-P474 CovalentContact CG-CB 0.91Å; R281-P474 HydrophobicContact CG-CB 0.91Å; R281-P474 HydrophobicContact CG-CG 1.66Å; R281-P474 VanDerWaalsContact CZ-CD 3.42Å; R281-P474 VanDerWaalsContact NH1-CD 3.35Å; R281-P474 CarbonylContact O-C 3.41Å; R281-P474 WeakPolarHBondContact O-CA 3.39Å; R281-A475 CovalentContact C-N 1.35Å; R281-A475 HydrophobicContact CB-CB 3.87Å; R281-A475 HydrophobicContact CG-CB 4.33Å; R281-A475 PolarHBondContact O-N 2.69Å | ||
| 282 | V | 70 | Confident | 83.8 | Confident | 91 Ų | 91 | 34 Ų | 34 | 55% | 0.552 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -91 | 0 | -174.8 | 179.9 | 0 | 0 | 0 | 0 | 109 | P474 A475 R476 | V282-P474 CarbonylContact C-O 3.39Å; V282-P474 VanDerWaalsContact CA-C 3.45Å; V282-P474 VanDerWaalsContact N-CA 3.35Å; V282-P474 PolarHBondContact N-O 3.18Å; V282-A475 CarbonylContact C-O 3.46Å; V282-A475 WeakPolarHBondContact CA-O 3.45Å; V282-A475 CovalentContact CB-C 1.73Å; V282-A475 HydrophobicContact CB-CB 4.22Å; V282-A475 VanDerWaalsContact CB-N 3.32Å; V282-A475 WeakPolarHBondContact CB-O 3.27Å; V282-A475 WeakPolarHBondContact CG1-O 3.49Å; V282-A475 HydrophobicContact CG2-CB 4.29Å; V282-A475 WeakPolarHBondContact CG2-O 3.18Å; V282-A475 CovalentContact N-N 1.02Å; V282-A475 PolarHBondContact N-O 1.37Å; V282-R476 HydrophobicContact CB-CB 4.44Å; V282-R476 VanDerWaalsContact CG2-C 3.46Å; V282-R476 HydrophobicContact CG2-CB 3.83Å; V282-R476 HydrophobicContact CG2-CG 4.23Å; V282-R476 CovalentContact CG2-N 1.54Å |
| 283 | T | 76 | Confident | 83.8 | Confident | 88 Ų | 88 | 41.3 Ų | 41.3 | 54% | 0.54 | 21% | 0.214 | S | C | . | . | S | Bend | 0 | 141.2 | 0 | 58.9 | 0 | 0 | 0 | 0 | 109.9 | W285 P474 A475 | T283-W285 PolarHBondContact O-N 3.33Å; T283-P474 CarbonylContact C-O 3.12Å; T283-P474 WeakPolarHBondContact CA-O 3.41Å; T283-P474 PolarHBondContact N-O 2.92Å; T283-P474 CarbonylContact O-C 2.43Å; T283-A475 WeakPolarHBondContact CG2-O 2.64Å; T283-A475 PolarHBondContact N-O 2.76Å | |
| 284 | D | 77.9 | Confident | 84.1 | Confident | 73 Ų | 73 | 42.6 Ų | 42.6 | 39% | 0.39 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 61.6 | 21.4 | 171.9 | -64.7 | -30.8 | 0 | 0 | 0 | 111 | I286 S287 K387 | D284-I286 PolarHBondContact O-N 2.75Å; D284-S287 PolarHBondContact O-N 3.42Å; D284-K387 HydrophobicContact CB-CD 4.35Å; D284-K387 VanDerWaalsContact CB-NZ 3.27Å; D284-K387 IonicContact OD1-NZ 2.6Å; D284-K387 IonicContact OD2-NZ 2.98Å; D284-K387 PolarHBondContact OD2-NZ 3.45Å |
| 285 | W | 87.3 | Confident | 84.2 | Confident | 29 Ų | 29 | 47.3 Ų | 47.3 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -62.5 | 0 | -177.4 | 64.8 | -92 | 0 | 0 | 0 | 110.8 | N277 A278 R281 T283 S287 K288 H341 G472 S473 | N277-W285 HydrophobicContact CB-CB 4.27Å; N277-W285 HydrophobicContact CB-CE3 4.12Å; N277-W285 WeakPolarHBondContact O-CB 3.44Å; A278-W285 HydrophobicContact CB-CD2 3.74Å; A278-W285 HydrophobicContact CB-CE3 3.39Å; A278-W285 HydrophobicContact CB-CH2 3.48Å; A278-W285 VanDerWaalsContact CB-CH2 3.48Å; A278-W285 HydrophobicContact CB-CZ2 3.83Å; A278-W285 HydrophobicContact CB-CZ3 3.23Å; A278-W285 VanDerWaalsContact N-CE3 3.32Å; R281-W285 HydrophobicContact CB-CB 3.88Å; T283-W285 PolarHBondContact O-N 3.33Å; W285-S287 PolarHBondContact O-N 3.21Å; W285-K288 PolarHBondContact O-N 2.8Å; W285-H341 AromaticContact CE2-ND1 3.95Å; W285-H341 HydrophobicContact CH2-CB 4.49Å; W285-H341 HydrophobicContact CZ2-CB 3.98Å; W285-H341 AromaticContact CZ2-ND1 3.67Å; W285-H341 AromaticContact NE1-ND1 3.75Å; W285-G472 CarbonylContact O-C 3.43Å; W285-S473 WeakPolarHBondContact CB-OG 1.92Å; W285-S473 WeakPolarHBondContact O-CA 3.22Å; W285-S473 PolarHBondContact O-N 2.49Å |
| 286 | I | 89.9 | Confident | 84.4 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | G | 310 helix | 0 | 0 | 0 | -169.8 | 163.5 | 0 | 0 | 0 | 109.6 | D284 K323 R335 F336 F337 H341 E384 | D284-I286 PolarHBondContact O-N 2.75Å; I286-K323 HydrophobicContact CG1-CD 4.45Å; I286-K323 WeakPolarHBondContact O-CE 3.3Å; I286-K323 PolarHBondContact O-NZ 3.42Å; I286-R335 HydrophobicContact CD1-CG 4.47Å; I286-F336 WeakPolarHBondContact CD1-O 3.11Å; I286-F337 HydrophobicContact CD1-CD1 3.9Å; I286-F337 HydrophobicContact CD1-CE1 4.22Å; I286-F337 HydrophobicContact CD1-CG 4.38Å; I286-F337 HydrophobicContact CG1-CD1 4.04Å; I286-F337 HydrophobicContact CG1-CE1 3.91Å; I286-F337 HydrophobicContact CG2-CD1 4.4Å; I286-H341 HydrophobicContact CD1-CB 4.09Å; I286-H341 WeakPolarHBondContact CD1-CD2 3.19Å; I286-E384 HydrophobicContact CG2-CB 4.12Å; I286-E384 HydrophobicContact CG2-CG 4.12Å; I286-E384 WeakPolarHBondContact CG2-OE2 3.35Å | |
| 287 | S | 88.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | 0 | 4.6 | 0 | -54 | 0 | 0 | 0 | 0 | 110.6 | D284 W285 E384 L388 N391 | D284-S287 PolarHBondContact O-N 3.42Å; W285-S287 PolarHBondContact O-N 3.21Å; S287-E384 PolarHBondContact OG-O 3.37Å; S287-L388 VanDerWaalsContact C-CD1 3.46Å; S287-L388 WeakPolarHBondContact O-CA 3.37Å; S287-L388 WeakPolarHBondContact O-CD1 3.4Å; S287-N391 PolarHBondContact O-ND2 3.04Å | |
| 288 | K | 87.5 | Confident | 84.8 | Confident | 10 Ų | 10 | 47 Ų | 47 | 4% | 0.043 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -88.5 | 130.1 | 176.8 | -69.5 | -167.8 | 179.4 | 178.3 | 0 | 109.7 | N277 R281 W285 T398 G471 G472 S473 | N277-K288 WeakPolarHBondContact ND2-CB 3.41Å; R281-K288 CovalentContact CZ-NZ 0.54Å; R281-K288 CovalentContact NE-NZ 1.24Å; R281-K288 CovalentContact NH1-CE 0.76Å; R281-K288 CovalentContact NH1-NZ 1.16Å; W285-K288 PolarHBondContact O-N 2.8Å; K288-T398 HydrophobicContact CB-CG2 3.41Å; K288-T398 VanDerWaalsContact CB-CG2 3.41Å; K288-T398 HydrophobicContact CD-CG2 3.44Å; K288-T398 VanDerWaalsContact CD-CG2 3.44Å; K288-T398 HydrophobicContact CG-CG2 3.96Å; K288-G471 CarbonylContact C-O 2.78Å; K288-G471 VanDerWaalsContact CA-O 3.25Å; K288-G471 WeakPolarHBondContact CA-O 3.37Å; K288-G471 WeakPolarHBondContact CB-O 3.3Å; K288-G471 WeakPolarHBondContact CD-O 3.15Å; K288-G471 WeakPolarHBondContact CG-O 3.32Å; K288-G472 VanDerWaalsContact CA-O 3.3Å; K288-G472 WeakPolarHBondContact CA-O 2.9Å; K288-G472 WeakPolarHBondContact CB-O 3.06Å; K288-G472 CovalentContact CD-O 1.82Å; K288-G472 WeakPolarHBondContact CD-O 3.15Å; K288-G472 WeakPolarHBondContact CE-O 2.44Å; K288-G472 WeakPolarHBondContact CG-O 3.46Å; K288-S473 WeakPolarHBondContact CD-O 2.86Å; K288-S473 WeakPolarHBondContact CE-O 0.88Å; K288-S473 PolarHBondContact NZ-O 3.05Å |
| 289 | P | 87.4 | Confident | 85 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | trans | -74.2 | 146.3 | -175.7 | 24.8 | -28.9 | 0 | 0 | 0 | 111.9 | L388 N391 I392 Y396 Y397 T398 T470 G471 | P289-L388 HydrophobicContact CB-CD1 4.39Å; P289-N391 HydrophobicContact CG-CB 4.23Å; P289-I392 HydrophobicContact CB-CG1 3.55Å; P289-I392 HydrophobicContact CG-CG1 4.36Å; P289-Y396 WeakPolarHBondContact CD-O 3.34Å; P289-Y396 WeakPolarHBondContact CG-O 3.07Å; P289-Y397 HydrophobicContact CB-CD1 3.93Å; P289-Y397 HydrophobicContact CB-CE1 4.06Å; P289-Y397 HydrophobicContact CG-CD1 4.2Å; P289-Y397 HydrophobicContact CG-CG 4.45Å; P289-T398 PolarHBondContact O-OG1 3.29Å; P289-T398 VanDerWaalsContact O-OG1 3.09Å; P289-T470 VanDerWaalsContact C-C 3.49Å; P289-T470 CarbonylContact C-O 3.53Å; P289-T470 WeakPolarHBondContact CA-O 3.32Å; P289-T470 WeakPolarHBondContact CB-O 3.44Å; P289-T470 WeakPolarHBondContact CG-O 3.07Å; P289-T470 CarbonylContact O-C 2.82Å; P289-G471 CarbonylContact O-C 3.13Å; P289-G471 VanDerWaalsContact O-C 3.29Å; P289-G471 WeakPolarHBondContact O-CA 3.37Å; P289-G471 PolarHBondContact O-N 2.84Å | ||
| 290 | C | 88.8 | Confident | 85 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | trans | -106.5 | 0 | 178.5 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | C271 D273 C274 P292 R293 H294 | C271-C290 VanDerWaalsContact SG-SG 3.67Å; D273-C290 HydrophobicContact CB-CB 3.91Å; C274-C290 PolarHBondContact SG-SG 2.85Å; C290-P292 CarbonylContact C-O 3.49Å; C290-P292 CarbonylContact O-C 3.54Å; C290-R293 WeakPolarHBondContact O-CA 3.05Å; C290-R293 PolarHBondContact O-N 3.38Å; C290-R293 VanDerWaalsContact O-N 3.13Å; C290-H294 WeakPolarHBondContact CB-NE2 3.39Å; C290-H294 PolarHBondContact SG-CD2 3.26Å; C290-H294 PolarHBondContact SG-NE2 2.82Å | ||
| 291 | K | 82.7 | Confident | 84.6 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | S | Bend | 0 | 122.8 | 0 | -168.5 | 169 | 178.6 | 179.8 | 0 | 109.3 | D273 D467 T468 | D273-K291 PolarHBondContact OD2-N 2.46Å; K291-D467 PolarHBondContact NZ-O 3.04Å; K291-T468 HydrophobicContact CB-CG2 2.67Å; K291-T468 CovalentContact CD-CG2 1.03Å; K291-T468 HydrophobicContact CD-CG2 1.03Å; K291-T468 WeakPolarHBondContact CD-OG1 1.87Å; K291-T468 WeakPolarHBondContact CE-OG1 3.49Å; K291-T468 HydrophobicContact CG-CG2 2.07Å; K291-T468 CovalentContact NZ-CA 1.6Å; K291-T468 CovalentContact NZ-N 1.74Å; K291-T468 PolarHBondContact NZ-OG1 3.25Å | |
| 292 | P | 84.6 | Confident | 84.3 | Confident | 97 Ų | 97 | 49.2 Ų | 49.2 | 63% | 0.63 | 24% | 0.235 | S | C | * | . | S | Bend | cis | -67.2 | 157.9 | -10.3 | 28.5 | -33.2 | 0 | 0 | 0 | 111.7 | C290 | C290-P292 CarbonylContact C-O 3.49Å; C290-P292 CarbonylContact O-C 3.54Å |
| 293 | R | 87.9 | Confident | 83.7 | Confident | 180 Ų | 180 | 46.1 Ų | 46.1 | 68% | 0.679 | 22% | 0.216 | S | C | * | . | P | Polyproline II helix | trans | -61.4 | 144.8 | -178.8 | 65.8 | -179.7 | -178.9 | -178.7 | 0.1 | 110.8 | C290 | C290-R293 WeakPolarHBondContact O-CA 3.05Å; C290-R293 PolarHBondContact O-N 3.38Å; C290-R293 VanDerWaalsContact O-N 3.13Å |
| 294 | H | 91 | Very high | 82.6 | Confident | 33 Ų | 33 | 46.7 Ų | 46.7 | 15% | 0.153 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -83.8 | 139.3 | 178.6 | -65.5 | -63.1 | 0 | 0 | 0 | 110.1 | C271 C274 C290 K323 V324 | C271-H294 VanDerWaalsContact CB-CE1 3.4Å; C271-H294 WeakPolarHBondContact CB-CE1 3.42Å; C271-H294 PolarHBondContact SG-CE1 2.84Å; C271-H294 PolarHBondContact SG-NE2 3.21Å; C274-H294 PolarHBondContact SG-CD2 3.42Å; C274-H294 PolarHBondContact SG-NE2 3.41Å; C290-H294 WeakPolarHBondContact CB-NE2 3.39Å; C290-H294 PolarHBondContact SG-CD2 3.26Å; C290-H294 PolarHBondContact SG-NE2 2.82Å; H294-K323 HydrophobicContact CB-CB 4.12Å; H294-K323 HydrophobicContact CB-CG 4.41Å; H294-V324 PolarHBondContact ND1-O 3.44Å |
| 295 | E | 91.6 | Very high | 81.3 | Confident | 105 Ų | 105 | 46 Ų | 46 | 49% | 0.491 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -70.5 | 137 | 174.4 | -177 | -179 | 170.4 | 0 | 0 | 110.9 | I297 V324 | E295-I297 HydrophobicContact CG-CG2 4.37Å; E295-V324 HydrophobicContact CB-CB 4.15Å; E295-V324 HydrophobicContact CB-CG2 4.29Å; E295-V324 VanDerWaalsContact O-CB 3.31Å; E295-V324 WeakPolarHBondContact O-CB 3.46Å; E295-V324 VanDerWaalsContact O-CG2 3.28Å; E295-V324 WeakPolarHBondContact O-CG2 3.32Å; E295-V324 PolarHBondContact O-N 3.33Å |
| 296 | L | 93 | Very high | 79.5 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 9% | 0.094 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 138.6 | 178.4 | -61.6 | 178.4 | 0 | 0 | 0 | 110 | A322 K323 F337 F354 V385 L388 | L296-A322 WeakPolarHBondContact CA-O 2.77Å; L296-K323 HydrophobicContact CD2-CG 3.73Å; L296-F337 HydrophobicContact CD2-CE2 3.52Å; L296-F337 HydrophobicContact CD2-CZ 3.61Å; L296-F354 HydrophobicContact CB-CB 3.72Å; L296-F354 HydrophobicContact CB-CD1 3.59Å; L296-F354 HydrophobicContact CB-CD2 3.74Å; L296-F354 HydrophobicContact CB-CE1 4.09Å; L296-F354 HydrophobicContact CB-CE2 4.23Å; L296-F354 HydrophobicContact CB-CG 3.39Å; L296-F354 HydrophobicContact CB-CZ 4.39Å; L296-F354 HydrophobicContact CD1-CD1 3.85Å; L296-F354 HydrophobicContact CD1-CE1 3.54Å; L296-F354 HydrophobicContact CD1-CE2 4.46Å; L296-F354 HydrophobicContact CD1-CG 4.43Å; L296-F354 HydrophobicContact CD1-CZ 3.88Å; L296-F354 HydrophobicContact CG-CD1 4.39Å; L296-F354 HydrophobicContact CG-CE1 4.5Å; L296-F354 WeakPolarHBondContact O-CB 3.26Å; L296-V385 HydrophobicContact CD1-CG1 4.26Å; L296-L388 HydrophobicContact CD1-CD2 4.48Å; L296-L388 HydrophobicContact CD2-CD2 4.05Å |
| 297 | I | 91.4 | Very high | 77.5 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 163.1 | -179.9 | 57.3 | 168.7 | 0 | 0 | 0 | 108.2 | E295 A299 A322 V324 Y332 I334 T351 | E295-I297 HydrophobicContact CG-CG2 4.37Å; I297-A299 HydrophobicContact CD1-CB 4.37Å; I297-A322 HydrophobicContact CG1-CB 4.27Å; I297-A322 PolarHBondContact N-O 2.36Å; I297-A322 PolarHBondContact O-N 2.38Å; I297-V324 HydrophobicContact CB-CG2 4.04Å; I297-V324 HydrophobicContact CD1-CG2 3.56Å; I297-V324 HydrophobicContact CG1-CG2 3.51Å; I297-V324 HydrophobicContact CG2-CG2 3.33Å; I297-Y332 HydrophobicContact CD1-CD2 4.14Å; I297-Y332 HydrophobicContact CD1-CG 4.15Å; I297-I334 HydrophobicContact CD1-CB 4.31Å; I297-I334 HydrophobicContact CD1-CD1 4.47Å; I297-I334 HydrophobicContact CD1-CG2 3.14Å; I297-I334 HydrophobicContact CG1-CG2 3.99Å; I297-T351 HydrophobicContact CD1-CG2 3.92Å |
| 298 | W | 90 | Very high | 75.3 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 129.3 | 166.8 | -64.1 | 108 | 0 | 0 | 0 | 110.5 | Y319 P321 T351 R352 A353 F354 L356 A358 V361 V363 F378 W382 | W298-Y319 HydrophobicContact CB-CD1 3.8Å; W298-Y319 HydrophobicContact CB-CG 4.27Å; W298-P321 HydrophobicContact CE3-CB 4.19Å; W298-P321 HydrophobicContact CH2-CB 4.26Å; W298-P321 HydrophobicContact CZ3-CB 3.73Å; W298-P321 HydrophobicContact CZ3-CG 4.01Å; W298-T351 CarbonylContact O-C 3.31Å; W298-T351 VanDerWaalsContact O-C 3.31Å; W298-T351 WeakPolarHBondContact O-CA 3.13Å; W298-R352 HydrophobicContact CB-CB 3.89Å; W298-R352 PolarHBondContact N-O 3.27Å; W298-R352 PolarHBondContact O-N 3.38Å; W298-A353 PolarHBondContact NE1-O 3.33Å; W298-F354 HydrophobicContact CD2-CD2 4.29Å; W298-F354 AromaticContact CE2-CD2 3.84Å; W298-F354 HydrophobicContact CH2-CE2 4.17Å; W298-F354 HydrophobicContact CZ2-CD2 4.05Å; W298-F354 AromaticContact CZ2-CE2 3.86Å; W298-F354 HydrophobicContact CZ2-CE2 3.86Å; W298-F354 AromaticContact NE1-CD2 3.94Å; W298-F354 PolarHBondContact NE1-O 2.86Å; W298-F354 VanDerWaalsContact NE1-O 3.15Å; W298-L356 PolarHBondContact NE1-O 3.44Å; W298-A358 HydrophobicContact CH2-CB 3.86Å; W298-A358 HydrophobicContact CZ2-CB 4Å; W298-V361 HydrophobicContact CB-CB 4.46Å; W298-V361 HydrophobicContact CB-CG1 3.52Å; W298-V361 HydrophobicContact CD2-CG1 4.49Å; W298-V361 HydrophobicContact CG-CB 4.26Å; W298-V361 HydrophobicContact CG-CG1 3.85Å; W298-V361 HydrophobicContact CG-CG2 4.04Å; W298-V363 HydrophobicContact CE3-CG2 4.09Å; W298-V363 HydrophobicContact CH2-CG2 4.35Å; W298-V363 HydrophobicContact CZ3-CG2 3.88Å; W298-F378 HydrophobicContact CH2-CE2 4.38Å; W298-F378 HydrophobicContact CH2-CZ 4.26Å; W298-F378 AromaticContact CZ3-CE2 3.92Å; W298-F378 HydrophobicContact CZ3-CE2 3.92Å; W298-F378 HydrophobicContact CZ3-CZ 4.26Å; W298-W382 AromaticContact CH2-CE3 3.92Å; W298-W382 HydrophobicContact CH2-CE3 3.92Å; W298-W382 HydrophobicContact CH2-CH2 4.23Å; W298-W382 AromaticContact CH2-CZ3 3.25Å; W298-W382 HydrophobicContact CH2-CZ3 3.25Å; W298-W382 HydrophobicContact CZ2-CH2 4.29Å; W298-W382 AromaticContact CZ2-CZ3 3.69Å; W298-W382 HydrophobicContact CZ2-CZ3 3.69Å; W298-W382 HydrophobicContact CZ3-CZ3 4.41Å |
| 299 | A | 89.2 | Confident | 73.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 145.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | I297 N301 Y319 W320 A322 I334 F336 V346 T351 | I297-A299 HydrophobicContact CD1-CB 4.37Å; A299-N301 PolarHBondContact O-N 3.33Å; A299-Y319 CarbonylContact O-C 3.41Å; A299-Y319 VanDerWaalsContact O-CA 3.3Å; A299-Y319 WeakPolarHBondContact O-CA 3.46Å; A299-W320 PolarHBondContact N-O 2.84Å; A299-W320 PolarHBondContact O-N 3.43Å; A299-A322 HydrophobicContact CB-CB 4.44Å; A299-I334 HydrophobicContact CB-CD1 2.92Å; A299-I334 HydrophobicContact CB-CG1 4.45Å; A299-F336 HydrophobicContact CB-CE1 3.62Å; A299-F336 HydrophobicContact CB-CZ 3.89Å; A299-F336 WeakPolarHBondContact O-CE1 3.47Å; A299-V346 HydrophobicContact CB-CB 4.49Å; A299-V346 HydrophobicContact CB-CG1 4.29Å; A299-V346 HydrophobicContact CB-CG2 4.18Å; A299-T351 HydrophobicContact CB-CG2 4.36Å |
| 300 | R | 83.2 | Confident | 71.2 | Confident | 64 Ų | 64 | 61.8 Ų | 61.8 | 24% | 0.242 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 121.5 | 179.3 | -80 | -173.3 | -178 | 174.4 | 0 | 110.3 | S316 F318 Y319 H350 | R300-S316 WeakPolarHBondContact CD-O 3.47Å; R300-F318 VanDerWaalsContact CA-O 3.31Å; R300-F318 WeakPolarHBondContact CA-O 3.45Å; R300-Y319 HydrophobicContact CG-CD1 3.99Å; R300-Y319 HydrophobicContact CG-CD2 4.14Å; R300-Y319 HydrophobicContact CG-CE1 3.75Å; R300-Y319 HydrophobicContact CG-CE2 3.93Å; R300-Y319 HydrophobicContact CG-CG 4.19Å; R300-Y319 PolarHBondContact NE-OH 3.08Å; R300-H350 HydrophobicContact CB-CB 4.1Å; R300-H350 HydrophobicContact CG-CB 4.43Å; R300-H350 PolarHBondContact N-O 2.89Å |
| 301 | N | 68.3 | Low | 69 | Low | 9 Ų | 9 | 69.6 Ų | 69.6 | 5% | 0.048 | 37% | 0.366 | C | S | . | . | trans | -90.7 | 106.4 | -178.1 | -171.7 | -12.2 | 0 | 0 | 0 | 110.2 | A299 T303 G306 F318 W320 F336 | A299-N301 PolarHBondContact O-N 3.33Å; N301-T303 VanDerWaalsContact CG-OG1 3.24Å; N301-T303 VanDerWaalsContact OD1-CB 3.25Å; N301-T303 WeakPolarHBondContact OD1-CB 3.38Å; N301-T303 PolarHBondContact OD1-N 3.11Å; N301-T303 PolarHBondContact OD1-OG1 3.48Å; N301-G306 WeakPolarHBondContact ND2-CA 3.34Å; N301-F318 PolarHBondContact N-O 3.26Å; N301-W320 HydrophobicContact CB-CB 4.48Å; N301-W320 HydrophobicContact CB-CG 3.97Å; N301-F336 HydrophobicContact CB-CE1 4.08Å; N301-F336 HydrophobicContact CB-CE2 4.43Å; N301-F336 HydrophobicContact CB-CZ 3.97Å | ||
| 302 | R | 64.7 | Low | 67.1 | Low | 152 Ų | 152 | 72 Ų | 72 | 57% | 0.574 | 38% | 0.382 | S | S | * | . | trans | -91.8 | 6.8 | -177.4 | -68.6 | -175.2 | -179 | -176.2 | 0.2 | 110.5 | H350 | R302-H350 VanDerWaalsContact CZ-ND1 3.32Å; R302-H350 CovalentContact NH2-CE1 1.89Å; R302-H350 PolarHBondContact NH2-CE1 3Å; R302-H350 PolarHBondContact NH2-ND1 2.92Å; R302-H350 PolarHBondContact NH2-NE2 3.07Å | ||
| 303 | T | 57.3 | Low | 65.2 | Low | 25 Ų | 25 | 73.3 Ų | 73.3 | 15% | 0.153 | 39% | 0.389 | C | S | . | . | trans | -89.1 | 0 | -173.4 | 3.3 | 0 | 0 | 0 | 0 | 109.6 | N301 A305 G306 A307 E342 M344 | N301-T303 VanDerWaalsContact CG-OG1 3.24Å; N301-T303 VanDerWaalsContact OD1-CB 3.25Å; N301-T303 WeakPolarHBondContact OD1-CB 3.38Å; N301-T303 PolarHBondContact OD1-N 3.11Å; N301-T303 PolarHBondContact OD1-OG1 3.48Å; T303-A305 PolarHBondContact O-N 3.29Å; T303-G306 PolarHBondContact O-N 3.1Å; T303-A307 VanDerWaalsContact O-CB 3.23Å; T303-A307 WeakPolarHBondContact O-CB 3.44Å; T303-A307 PolarHBondContact O-N 3.3Å; T303-A307 VanDerWaalsContact O-N 3.07Å; T303-E342 WeakPolarHBondContact CB-OE2 3.31Å; T303-E342 WeakPolarHBondContact CG2-OE1 3.23Å; T303-E342 WeakPolarHBondContact CG2-OE2 3.09Å; T303-E342 PolarHBondContact OG1-OE2 3.42Å; T303-M344 HydrophobicContact CG2-CE 3.64Å; T303-M344 WeakPolarHBondContact OG1-CE 3.48Å | ||
| 304 | S | 51.2 | Low | 63.4 | Low | 101 Ų | 101 | 68 Ų | 68 | 71% | 0.706 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -16.5 | 0 | 33.6 | 0 | 0 | 0 | 0 | 111.7 | G308 | S304-G308 PolarHBondContact O-N 3.07Š| |
| 305 | A | 52.4 | Low | 61.5 | Low | 57 Ų | 57 | 67.7 Ų | 67.7 | 47% | 0.471 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -15 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T303 | T303-A305 PolarHBondContact O-N 3.29Š|
| 306 | G | 47.7 | Very low | 59.7 | Low | 20 Ų | 20 | 65.4 Ų | 65.4 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 4.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N301 T303 | N301-G306 WeakPolarHBondContact ND2-CA 3.34Å; T303-G306 PolarHBondContact O-N 3.1Å |
| 307 | A | 49.7 | Very low | 58.2 | Low | 16 Ų | 16 | 70 Ų | 70 | 13% | 0.132 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -135 | 0 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110 | T303 L309 V315 | T303-A307 VanDerWaalsContact O-CB 3.23Å; T303-A307 WeakPolarHBondContact O-CB 3.44Å; T303-A307 PolarHBondContact O-N 3.3Å; T303-A307 VanDerWaalsContact O-N 3.07Å; A307-L309 PolarHBondContact O-N 3.44Å; A307-V315 HydrophobicContact CB-CB 3.48Å; A307-V315 VanDerWaalsContact CB-CB 3.48Å; A307-V315 HydrophobicContact CB-CG1 2.88Å; A307-V315 HydrophobicContact CB-CG2 4.05Å |
| 308 | G | 42.1 | Very low | 57.3 | Low | 47 Ų | 47 | 71.8 Ų | 71.8 | 49% | 0.485 | 40% | 0.404 | S | S | . | . | 0 | 88.2 | 0 | 0 | 0 | 0 | 0 | 0 | 111.9 | S304 F310 | S304-G308 PolarHBondContact O-N 3.07Å; G308-F310 VanDerWaalsContact C-N 3.31Å; G308-F310 PolarHBondContact O-N 3.49Å | |||
| 309 | L | 47.2 | Very low | 57 | Low | 126 Ų | 126 | 72 Ų | 72 | 66% | 0.66 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 41.8 | 0 | 140.9 | -99.3 | 130.6 | 0 | 0 | 0 | 111.1 | A307 | A307-L309 PolarHBondContact O-N 3.44Š|
| 310 | F | 41.6 | Very low | 56.9 | Low | 166 Ų | 166 | 73 Ų | 73 | 73% | 0.728 | 41% | 0.409 | S | S | * | . | 0 | 99.9 | 0 | -79.7 | -85 | 0 | 0 | 0 | 108.7 | G308 D312 | G308-F310 VanDerWaalsContact C-N 3.31Å; G308-F310 PolarHBondContact O-N 3.49Å; F310-D312 PolarHBondContact O-N 3.18Å; F310-D312 VanDerWaalsContact O-N 3.12Å | |||
| 311 | N | 41.5 | Very low | 57.3 | Low | 165 Ų | 165 | 70 Ų | 70 | 88% | 0.882 | 40% | 0.397 | S | S | * | . | trans | -30.3 | 0 | 148.1 | -87.1 | -6.3 | 0 | 0 | 0 | 112.1 | ||||
| 312 | D | 43.4 | Very low | 58.4 | Low | 125 Ų | 125 | 69.6 Ų | 69.6 | 67% | 0.668 | 40% | 0.395 | S | S | * | . | S | Bend | 0 | 77.5 | 0 | -134.7 | -3.8 | 0 | 0 | 0 | 109.3 | F310 S314 | F310-D312 PolarHBondContact O-N 3.18Å; F310-D312 VanDerWaalsContact O-N 3.12Å; D312-S314 VanDerWaalsContact C-N 3.32Å; D312-S314 PolarHBondContact O-N 3.28Å | |
| 313 | T | 45.4 | Very low | 59.8 | Low | 124 Ų | 124 | 62.5 Ų | 62.5 | 76% | 0.761 | 37% | 0.368 | S | S | * | . | S | Bend | 79.7 | 0 | 128.8 | -40.5 | 0 | 0 | 0 | 0 | 110.4 | |||
| 314 | S | 48.9 | Very low | 61.5 | Low | 69 Ų | 69 | 61.9 Ų | 61.9 | 48% | 0.483 | 36% | 0.364 | S | S | . | . | S | Bend | 0 | 0 | 0 | 66.6 | 0 | 0 | 0 | 0 | 109.5 | D312 S316 F318 | D312-S314 VanDerWaalsContact C-N 3.32Å; D312-S314 PolarHBondContact O-N 3.28Å; S314-S316 VanDerWaalsContact C-N 3.32Å; S314-F318 VanDerWaalsContact O-CE2 3.28Å; S314-F318 WeakPolarHBondContact O-CE2 3.31Å | |
| 315 | V | 51.2 | Low | 63.4 | Low | 27 Ų | 27 | 57.9 Ų | 57.9 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | G | 310 helix | 0 | 0 | 0 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | A307 Q317 F318 | A307-V315 HydrophobicContact CB-CB 3.48Å; A307-V315 VanDerWaalsContact CB-CB 3.48Å; A307-V315 HydrophobicContact CB-CG1 2.88Å; A307-V315 HydrophobicContact CB-CG2 4.05Å; V315-Q317 PolarHBondContact O-N 3.23Å; V315-F318 HydrophobicContact CB-CD2 4.42Å; V315-F318 HydrophobicContact CG1-CD2 4.14Å; V315-F318 PolarHBondContact O-N 3.26Å | |
| 316 | S | 53.7 | Low | 65.1 | Low | 56 Ų | 56 | 58.6 Ų | 58.6 | 39% | 0.392 | 33% | 0.33 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | 102.9 | 0 | 0 | 0 | 0 | 110.7 | R300 S314 | R300-S316 WeakPolarHBondContact CD-O 3.47Å; S314-S316 VanDerWaalsContact C-N 3.32Å | |
| 317 | Q | 61.3 | Low | 67.1 | Low | 115 Ų | 115 | 63 Ų | 63 | 54% | 0.537 | 35% | 0.346 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -70.6 | 178.5 | -2.3 | 0 | 0 | 110 | V315 | V315-Q317 PolarHBondContact O-N 3.23Š| |
| 318 | F | 73.8 | Confident | 68.8 | Low | 41 Ų | 41 | 68 Ų | 68 | 18% | 0.18 | 36% | 0.361 | C | S | . | . | 0 | 145.6 | 0 | -64.8 | -69.7 | 0 | 0 | 0 | 109.1 | R300 N301 S314 V315 G362 L364 | R300-F318 VanDerWaalsContact CA-O 3.31Å; R300-F318 WeakPolarHBondContact CA-O 3.45Å; N301-F318 PolarHBondContact N-O 3.26Å; S314-F318 VanDerWaalsContact O-CE2 3.28Å; S314-F318 WeakPolarHBondContact O-CE2 3.31Å; V315-F318 HydrophobicContact CB-CD2 4.42Å; V315-F318 HydrophobicContact CG1-CD2 4.14Å; V315-F318 PolarHBondContact O-N 3.26Å; F318-G362 VanDerWaalsContact CA-O 3.24Å; F318-G362 WeakPolarHBondContact CA-O 3.27Å; F318-G362 WeakPolarHBondContact CD1-O 3.38Å; F318-L364 HydrophobicContact CB-CB 4.2Å; F318-L364 HydrophobicContact CD1-CB 3.89Å; F318-L364 HydrophobicContact CD1-CD1 4.27Å; F318-L364 HydrophobicContact CD2-CB 4.25Å; F318-L364 HydrophobicContact CD2-CD1 4.49Å; F318-L364 HydrophobicContact CD2-CD2 4.39Å; F318-L364 HydrophobicContact CE1-CB 4.3Å; F318-L364 HydrophobicContact CE1-CD1 3.81Å; F318-L364 HydrophobicContact CE2-CD1 4.04Å; F318-L364 HydrophobicContact CE2-CD2 4.42Å; F318-L364 HydrophobicContact CG-CB 3.86Å; F318-L364 HydrophobicContact CZ-CD1 3.68Å | |||
| 319 | Y | 84.1 | Confident | 70.9 | Confident | 7 Ų | 7 | 73.3 Ų | 73.3 | 3% | 0.027 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 142.1 | -175.2 | -76.3 | -95.5 | 0 | 0 | 0 | 110.1 | W298 A299 R300 R352 V361 G362 | W298-Y319 HydrophobicContact CB-CD1 3.8Å; W298-Y319 HydrophobicContact CB-CG 4.27Å; A299-Y319 CarbonylContact O-C 3.41Å; A299-Y319 VanDerWaalsContact O-CA 3.3Å; A299-Y319 WeakPolarHBondContact O-CA 3.46Å; R300-Y319 HydrophobicContact CG-CD1 3.99Å; R300-Y319 HydrophobicContact CG-CD2 4.14Å; R300-Y319 HydrophobicContact CG-CE1 3.75Å; R300-Y319 HydrophobicContact CG-CE2 3.93Å; R300-Y319 HydrophobicContact CG-CG 4.19Å; R300-Y319 PolarHBondContact NE-OH 3.08Å; Y319-R352 HydrophobicContact CD1-CB 4.49Å; Y319-R352 HydrophobicContact CD1-CG 4.1Å; Y319-R352 HydrophobicContact CE1-CB 4.21Å; Y319-R352 HydrophobicContact CE1-CG 3.43Å; Y319-R352 VanDerWaalsContact CE1-CG 3.43Å; Y319-R352 VanDerWaalsContact CZ-NE 3.33Å; Y319-R352 PolarHBondContact OH-NE 2.77Å; Y319-R352 VanDerWaalsContact OH-NE 3.16Å; Y319-V361 HydrophobicContact CD1-CG1 3.25Å; Y319-V361 VanDerWaalsContact CD2-C 3.44Å; Y319-V361 HydrophobicContact CD2-CB 4.27Å; Y319-V361 HydrophobicContact CD2-CG1 3.22Å; Y319-V361 WeakPolarHBondContact CD2-O 3.05Å; Y319-V361 HydrophobicContact CE1-CG1 3.84Å; Y319-V361 HydrophobicContact CE2-CG1 3.8Å; Y319-V361 WeakPolarHBondContact CE2-O 3.27Å; Y319-V361 HydrophobicContact CG-CB 4.19Å; Y319-V361 HydrophobicContact CG-CG1 2.9Å; Y319-G362 PolarHBondContact N-O 3.36Å |
| 320 | W | 86.7 | Confident | 72.8 | Confident | 22 Ų | 22 | 71.9 Ų | 71.9 | 8% | 0.083 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 146 | 177.5 | -73.6 | 79.7 | 0 | 0 | 0 | 109.2 | A299 N301 F336 G377 F378 A381 | A299-W320 PolarHBondContact N-O 2.84Å; A299-W320 PolarHBondContact O-N 3.43Å; N301-W320 HydrophobicContact CB-CB 4.48Å; N301-W320 HydrophobicContact CB-CG 3.97Å; W320-F336 HydrophobicContact CB-CD1 3.4Å; W320-F336 VanDerWaalsContact CB-CD1 3.4Å; W320-F336 HydrophobicContact CB-CE1 3.67Å; W320-F336 HydrophobicContact CB-CG 4.49Å; W320-F336 HydrophobicContact CG-CD1 4.4Å; W320-G377 VanDerWaalsContact CH2-C 3.45Å; W320-G377 WeakPolarHBondContact CZ3-O 3.1Å; W320-F378 HydrophobicContact CH2-CB 4.34Å; W320-F378 HydrophobicContact CZ3-CB 4.32Å; W320-A381 HydrophobicContact CE3-CB 4.06Å; W320-A381 HydrophobicContact CZ3-CB 4.04Å |
| 321 | P | 91 | Very high | 75.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 137.3 | 177.3 | 26.3 | -32.2 | 0 | 0 | 0 | 111.8 | W298 F337 F354 A381 V385 | W298-P321 HydrophobicContact CE3-CB 4.19Å; W298-P321 HydrophobicContact CH2-CB 4.26Å; W298-P321 HydrophobicContact CZ3-CB 3.73Å; W298-P321 HydrophobicContact CZ3-CG 4.01Å; P321-F337 HydrophobicContact CB-CB 4.38Å; P321-F337 HydrophobicContact CB-CD2 3.91Å; P321-F337 HydrophobicContact CB-CG 4.49Å; P321-F337 HydrophobicContact CG-CB 3.9Å; P321-F337 HydrophobicContact CG-CD2 4.37Å; P321-F337 WeakPolarHBondContact O-CB 3.23Å; P321-F337 WeakPolarHBondContact O-CD2 3.33Å; P321-F337 PolarHBondContact O-N 3.27Å; P321-F354 HydrophobicContact CB-CE2 3.93Å; P321-A381 HydrophobicContact CG-CB 3.92Å; P321-V385 HydrophobicContact CB-CG2 3.73Å; P321-V385 HydrophobicContact CG-CG2 3.94Å |
| 322 | A | 92 | Very high | 77.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 0 | -175.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | L296 I297 A299 I334 R335 F336 | L296-A322 WeakPolarHBondContact CA-O 2.77Å; I297-A322 HydrophobicContact CG1-CB 4.27Å; I297-A322 PolarHBondContact N-O 2.36Å; I297-A322 PolarHBondContact O-N 2.38Å; A299-A322 HydrophobicContact CB-CB 4.44Å; A322-I334 HydrophobicContact CB-CB 3.77Å; A322-I334 HydrophobicContact CB-CD1 3.56Å; A322-I334 HydrophobicContact CB-CG1 4.09Å; A322-R335 CarbonylContact C-O 2.16Å; A322-R335 VanDerWaalsContact CA-O 3.27Å; A322-R335 WeakPolarHBondContact CA-O 3.44Å; A322-F336 HydrophobicContact CB-CD1 3.9Å; A322-F336 HydrophobicContact CB-CE1 4.26Å; A322-F336 HydrophobicContact CB-CG 4.4Å |
| 323 | K | 93.3 | Very high | 79.7 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.017 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 129.9 | 0 | -71.2 | -176 | 179.8 | -177.9 | 0 | 110 | I286 H294 L296 L325 I334 R335 F337 L388 | I286-K323 HydrophobicContact CG1-CD 4.45Å; I286-K323 WeakPolarHBondContact O-CE 3.3Å; I286-K323 PolarHBondContact O-NZ 3.42Å; H294-K323 HydrophobicContact CB-CB 4.12Å; H294-K323 HydrophobicContact CB-CG 4.41Å; L296-K323 HydrophobicContact CD2-CG 3.73Å; K323-L325 PolarHBondContact O-N 2.84Å; K323-I334 CarbonylContact O-C 3.36Å; K323-I334 WeakPolarHBondContact O-CA 3.29Å; K323-I334 WeakPolarHBondContact O-CB 2.96Å; K323-R335 PolarHBondContact N-O 3.08Å; K323-R335 PolarHBondContact O-N 3.42Å; K323-F337 HydrophobicContact CB-CE2 4.42Å; K323-F337 HydrophobicContact CD-CE1 4.38Å; K323-F337 HydrophobicContact CD-CE2 4.46Å; K323-F337 HydrophobicContact CD-CZ 3.78Å; K323-F337 HydrophobicContact CG-CE1 4.19Å; K323-F337 HydrophobicContact CG-CE2 3.44Å; K323-F337 VanDerWaalsContact CG-CE2 3.44Å; K323-F337 HydrophobicContact CG-CZ 3.19Å; K323-L388 HydrophobicContact CD-CD2 4.44Å | |
| 324 | V | 93 | Very high | 81.9 | Confident | 11 Ų | 11 | 47.7 Ų | 47.7 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 117.8 | 177.8 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | H294 E295 I297 Y332 I334 | H294-V324 PolarHBondContact ND1-O 3.44Å; E295-V324 HydrophobicContact CB-CB 4.15Å; E295-V324 HydrophobicContact CB-CG2 4.29Å; E295-V324 VanDerWaalsContact O-CB 3.31Å; E295-V324 WeakPolarHBondContact O-CB 3.46Å; E295-V324 VanDerWaalsContact O-CG2 3.28Å; E295-V324 WeakPolarHBondContact O-CG2 3.32Å; E295-V324 PolarHBondContact O-N 3.33Å; I297-V324 HydrophobicContact CB-CG2 4.04Å; I297-V324 HydrophobicContact CD1-CG2 3.56Å; I297-V324 HydrophobicContact CG1-CG2 3.51Å; I297-V324 HydrophobicContact CG2-CG2 3.33Å; V324-Y332 HydrophobicContact CG1-CD1 3.79Å; V324-Y332 HydrophobicContact CG1-CG 4.48Å; V324-Y332 HydrophobicContact CG2-CD1 4.43Å; V324-I334 HydrophobicContact CG2-CG2 4.15Å |
| 325 | L | 90.9 | Very high | 83.9 | Confident | 17 Ų | 17 | 45 Ų | 45 | 9% | 0.089 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -33.7 | -177.8 | -61.5 | 175.6 | 0 | 0 | 0 | 109.7 | L270 C271 K323 E333 R335 R343 | L270-L325 HydrophobicContact CB-CB 4.13Å; L270-L325 HydrophobicContact CB-CD1 4.34Å; L270-L325 HydrophobicContact CD1-CD1 3.93Å; L270-L325 HydrophobicContact CD2-CB 4.28Å; C271-L325 HydrophobicContact CB-CD2 4.34Å; K323-L325 PolarHBondContact O-N 2.84Å; L325-E333 PolarHBondContact N-O 3.31Å; L325-R335 HydrophobicContact CD1-CB 3.97Å; L325-R335 HydrophobicContact CG-CB 4.32Å; L325-R343 HydrophobicContact CD1-CG 4.4Å |
| 326 | L | 89.4 | Confident | 85.8 | Confident | 72 Ų | 72 | 43.9 Ų | 43.9 | 38% | 0.377 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 132.3 | -179.5 | 179.6 | 69.8 | 0 | 0 | 0 | 108.9 | L270 R328 E333 | L270-L326 HydrophobicContact CD2-CB 3.77Å; L270-L326 HydrophobicContact CD2-CD2 4.22Å; L326-R328 HydrophobicContact CD2-CG 4.37Å; L326-E333 HydrophobicContact CB-CB 4.01Å; L326-E333 PolarHBondContact N-O 3.31Å; L326-E333 PolarHBondContact O-N 3.03Å |
| 327 | E | 89.4 | Confident | 87.5 | Confident | 114 Ų | 114 | 41.2 Ų | 41.2 | 53% | 0.533 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.7 | 178.3 | -174.5 | 176.5 | 177.8 | 0 | 0 | 110.3 | Y332 | E327-Y332 HydrophobicContact CB-CD1 4.19Å; E327-Y332 HydrophobicContact CB-CE1 4.23Å; E327-Y332 HydrophobicContact CG-CD1 3.85Å; E327-Y332 HydrophobicContact CG-CE1 3.48Å; E327-Y332 VanDerWaalsContact CG-CE1 3.48Å |
| 328 | R | 85.8 | Confident | 88.5 | Confident | 120 Ų | 120 | 36 Ų | 36 | 45% | 0.453 | 17% | 0.172 | S | C | . | . | trans | -111.3 | 0 | 173.9 | -67.5 | -172.1 | -177.6 | 165.9 | 2.2 | 110.2 | L326 D330 G331 E333 F345 K348 | L326-R328 HydrophobicContact CD2-CG 4.37Å; R328-D330 WeakPolarHBondContact CB-OD1 3.25Å; R328-D330 PolarHBondContact O-N 3.07Å; R328-G331 CarbonylContact C-O 3.09Å; R328-G331 PolarHBondContact N-O 3.23Å; R328-E333 IonicContact NH2-OE2 3.67Å; R328-F345 HydrophobicContact CB-CE2 4.19Å; R328-F345 HydrophobicContact CG-CE2 4.4Å; R328-K348 WeakPolarHBondContact O-CE 3.18Å | ||
| 329 | D | 84.9 | Confident | 88.6 | Confident | 159 Ų | 159 | 37 Ų | 37 | 85% | 0.85 | 19% | 0.194 | S | C | * | . | S | Bend | 0 | -27.1 | 0 | -68.9 | -28 | 0 | 0 | 0 | 110.9 | K348 | D329-K348 WeakPolarHBondContact O-CE 3.47Å; D329-K348 PolarHBondContact O-NZ 3.05Å | |
| 330 | D | 87.1 | Confident | 88.3 | Confident | 95 Ų | 95 | 40.1 Ų | 40.1 | 51% | 0.508 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -109.6 | 4 | -172.2 | 56.4 | -21.6 | 0 | 0 | 0 | 110.5 | R328 F345 K347 K348 | R328-D330 WeakPolarHBondContact CB-OD1 3.25Å; R328-D330 PolarHBondContact O-N 3.07Å; D330-F345 VanDerWaalsContact CG-CZ 3.47Å; D330-F345 VanDerWaalsContact OD1-CZ 3.29Å; D330-F345 WeakPolarHBondContact OD1-CZ 1.72Å; D330-F345 WeakPolarHBondContact OD2-CZ 3.17Å; D330-K347 WeakPolarHBondContact O-CA 3.21Å; D330-K348 PolarHBondContact O-N 3.38Å |
| 331 | G | 90 | Very high | 88.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.4 | -170.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | R328 V346 | R328-G331 CarbonylContact C-O 3.09Å; R328-G331 PolarHBondContact N-O 3.23Å; G331-V346 CarbonylContact C-O 2.87Å; G331-V346 WeakPolarHBondContact CA-O 3.12Å |
| 332 | Y | 90.5 | Very high | 87.8 | Confident | 35 Ų | 35 | 43.4 Ų | 43.4 | 14% | 0.137 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 137.3 | -178 | -61.5 | -80.8 | 0 | 0 | 0 | 110 | I297 V324 E327 I334 F345 V346 K348 T351 | I297-Y332 HydrophobicContact CD1-CD2 4.14Å; I297-Y332 HydrophobicContact CD1-CG 4.15Å; V324-Y332 HydrophobicContact CG1-CD1 3.79Å; V324-Y332 HydrophobicContact CG1-CG 4.48Å; V324-Y332 HydrophobicContact CG2-CD1 4.43Å; E327-Y332 HydrophobicContact CB-CD1 4.19Å; E327-Y332 HydrophobicContact CB-CE1 4.23Å; E327-Y332 HydrophobicContact CG-CD1 3.85Å; E327-Y332 HydrophobicContact CG-CE1 3.48Å; E327-Y332 VanDerWaalsContact CG-CE1 3.48Å; Y332-I334 VanDerWaalsContact CB-CG2 3.47Å; Y332-F345 CarbonylContact O-C 3.53Å; Y332-F345 WeakPolarHBondContact O-CA 3.43Å; Y332-V346 PolarHBondContact N-O 3.09Å; Y332-V346 PolarHBondContact O-N 3.22Å; Y332-K348 HydrophobicContact CD2-CG 4.19Å; Y332-K348 HydrophobicContact CE2-CB 4.38Å; Y332-K348 HydrophobicContact CE2-CG 3.7Å; Y332-T351 HydrophobicContact CD2-CG2 3.69Å; Y332-T351 HydrophobicContact CE2-CG2 4.31Å; Y332-T351 WeakPolarHBondContact CE2-OG1 3.37Å |
| 333 | E | 91.1 | Very high | 87.6 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 18% | 0.178 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 114.7 | 163.4 | -165.4 | 161.2 | -172.8 | 0 | 0 | 110.9 | L270 L325 L326 R328 | L270-E333 HydrophobicContact CD1-CG 4.28Å; L270-E333 VanDerWaalsContact CD1-OE1 3.27Å; L270-E333 WeakPolarHBondContact CD1-OE1 3.49Å; L270-E333 VanDerWaalsContact CD2-CD 3.46Å; L270-E333 HydrophobicContact CD2-CG 4.26Å; L270-E333 WeakPolarHBondContact CD2-OE2 3.34Å; L325-E333 PolarHBondContact N-O 3.31Å; L326-E333 HydrophobicContact CB-CB 4.01Å; L326-E333 PolarHBondContact N-O 3.31Å; L326-E333 PolarHBondContact O-N 3.03Å; R328-E333 IonicContact NH2-OE2 3.67Å |
| 334 | I | 91.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 158.3 | -169.1 | 59.3 | 169.9 | 0 | 0 | 0 | 108.8 | I297 A299 A322 K323 V324 Y332 F336 R343 M344 V346 | I297-I334 HydrophobicContact CD1-CB 4.31Å; I297-I334 HydrophobicContact CD1-CD1 4.47Å; I297-I334 HydrophobicContact CD1-CG2 3.14Å; I297-I334 HydrophobicContact CG1-CG2 3.99Å; A299-I334 HydrophobicContact CB-CD1 2.92Å; A299-I334 HydrophobicContact CB-CG1 4.45Å; A322-I334 HydrophobicContact CB-CB 3.77Å; A322-I334 HydrophobicContact CB-CD1 3.56Å; A322-I334 HydrophobicContact CB-CG1 4.09Å; K323-I334 CarbonylContact O-C 3.36Å; K323-I334 WeakPolarHBondContact O-CA 3.29Å; K323-I334 WeakPolarHBondContact O-CB 2.96Å; V324-I334 HydrophobicContact CG2-CG2 4.15Å; Y332-I334 VanDerWaalsContact CB-CG2 3.47Å; I334-F336 HydrophobicContact CD1-CD1 4.31Å; I334-F336 HydrophobicContact CD1-CD2 4.45Å; I334-F336 HydrophobicContact CD1-CE1 3.67Å; I334-F336 HydrophobicContact CD1-CE2 3.83Å; I334-F336 HydrophobicContact CD1-CZ 3.4Å; I334-F336 VanDerWaalsContact CD1-CZ 3.4Å; I334-F336 HydrophobicContact CG1-CE2 4.32Å; I334-F336 HydrophobicContact CG1-CZ 4.38Å; I334-R343 WeakPolarHBondContact O-CA 3.48Å; I334-M344 WeakPolarHBondContact CG1-O 3.33Å; I334-M344 PolarHBondContact N-O 3.46Å; I334-M344 PolarHBondContact O-N 3.09Å; I334-V346 HydrophobicContact CD1-CB 4.15Å; I334-V346 HydrophobicContact CD1-CG2 3.35Å; I334-V346 HydrophobicContact CG1-CG2 3.78Å |
| 335 | R | 91.2 | Very high | 87.1 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 5% | 0.045 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 118.7 | 170.3 | -175.5 | 171.7 | -76.7 | -134.3 | -0.8 | 109.7 | E267 I286 A322 K323 L325 H341 R343 | E267-R335 IonicContact OE1-CZ 3.62Å; E267-R335 IonicContact OE1-NH1 3.96Å; E267-R335 IonicContact OE1-NH2 3.75Å; E267-R335 PolarHBondContact OE1-NH2 2.79Å; I286-R335 HydrophobicContact CD1-CG 4.47Å; A322-R335 CarbonylContact C-O 2.16Å; A322-R335 VanDerWaalsContact CA-O 3.27Å; A322-R335 WeakPolarHBondContact CA-O 3.44Å; K323-R335 PolarHBondContact N-O 3.08Å; K323-R335 PolarHBondContact O-N 3.42Å; L325-R335 HydrophobicContact CD1-CB 3.97Å; L325-R335 HydrophobicContact CG-CB 4.32Å; R335-H341 HydrophobicContact CG-CB 4.48Å; R335-R343 HydrophobicContact CB-CG 4.21Å; R335-R343 HydrophobicContact CG-CG 4.13Å |
| 336 | F | 90.8 | Very high | 87 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.013 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 145.8 | -173.7 | -75.8 | -75.8 | 0 | 0 | 0 | 110.9 | I286 A299 N301 W320 A322 I334 H341 E342 M344 V346 | I286-F336 WeakPolarHBondContact CD1-O 3.11Å; A299-F336 HydrophobicContact CB-CE1 3.62Å; A299-F336 HydrophobicContact CB-CZ 3.89Å; A299-F336 WeakPolarHBondContact O-CE1 3.47Å; N301-F336 HydrophobicContact CB-CE1 4.08Å; N301-F336 HydrophobicContact CB-CE2 4.43Å; N301-F336 HydrophobicContact CB-CZ 3.97Å; W320-F336 HydrophobicContact CB-CD1 3.4Å; W320-F336 VanDerWaalsContact CB-CD1 3.4Å; W320-F336 HydrophobicContact CB-CE1 3.67Å; W320-F336 HydrophobicContact CB-CG 4.49Å; W320-F336 HydrophobicContact CG-CD1 4.4Å; A322-F336 HydrophobicContact CB-CD1 3.9Å; A322-F336 HydrophobicContact CB-CE1 4.26Å; A322-F336 HydrophobicContact CB-CG 4.4Å; I334-F336 HydrophobicContact CD1-CD1 4.31Å; I334-F336 HydrophobicContact CD1-CD2 4.45Å; I334-F336 HydrophobicContact CD1-CE1 3.67Å; I334-F336 HydrophobicContact CD1-CE2 3.83Å; I334-F336 HydrophobicContact CD1-CZ 3.4Å; I334-F336 VanDerWaalsContact CD1-CZ 3.4Å; I334-F336 HydrophobicContact CG1-CE2 4.32Å; I334-F336 HydrophobicContact CG1-CZ 4.38Å; F336-H341 VanDerWaalsContact O-CA 3.32Å; F336-H341 WeakPolarHBondContact O-CA 3.43Å; F336-H341 PolarHBondContact O-CD2 3.41Å; F336-E342 WeakPolarHBondContact CD2-O 3.4Å; F336-E342 PolarHBondContact N-O 3.25Å; F336-E342 VanDerWaalsContact N-O 3.16Å; F336-M344 HydrophobicContact CE2-CB 3.91Å; F336-M344 HydrophobicContact CE2-CE 3.79Å; F336-M344 HydrophobicContact CE2-SD 4.26Å; F336-V346 HydrophobicContact CZ-CG2 4.34Å |
| 337 | F | 90 | Very high | 87 | Confident | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -82.1 | 148.2 | 167.4 | -70.9 | -90.5 | 0 | 0 | 0 | 110.4 | I286 L296 P321 K323 A381 E384 V385 L388 | I286-F337 HydrophobicContact CD1-CD1 3.9Å; I286-F337 HydrophobicContact CD1-CE1 4.22Å; I286-F337 HydrophobicContact CD1-CG 4.38Å; I286-F337 HydrophobicContact CG1-CD1 4.04Å; I286-F337 HydrophobicContact CG1-CE1 3.91Å; I286-F337 HydrophobicContact CG2-CD1 4.4Å; L296-F337 HydrophobicContact CD2-CE2 3.52Å; L296-F337 HydrophobicContact CD2-CZ 3.61Å; P321-F337 HydrophobicContact CB-CB 4.38Å; P321-F337 HydrophobicContact CB-CD2 3.91Å; P321-F337 HydrophobicContact CB-CG 4.49Å; P321-F337 HydrophobicContact CG-CB 3.9Å; P321-F337 HydrophobicContact CG-CD2 4.37Å; P321-F337 WeakPolarHBondContact O-CB 3.23Å; P321-F337 WeakPolarHBondContact O-CD2 3.33Å; P321-F337 PolarHBondContact O-N 3.27Å; K323-F337 HydrophobicContact CB-CE2 4.42Å; K323-F337 HydrophobicContact CD-CE1 4.38Å; K323-F337 HydrophobicContact CD-CE2 4.46Å; K323-F337 HydrophobicContact CD-CZ 3.78Å; K323-F337 HydrophobicContact CG-CE1 4.19Å; K323-F337 HydrophobicContact CG-CE2 3.44Å; K323-F337 VanDerWaalsContact CG-CE2 3.44Å; K323-F337 HydrophobicContact CG-CZ 3.19Å; F337-A381 VanDerWaalsContact C-CB 3.48Å; F337-A381 HydrophobicContact CB-CB 3.85Å; F337-A381 WeakPolarHBondContact O-CB 2.91Å; F337-E384 HydrophobicContact CD1-CB 3.94Å; F337-V385 HydrophobicContact CB-CG2 3.94Å; F337-V385 HydrophobicContact CD1-CG2 3.62Å; F337-V385 HydrophobicContact CD2-CG2 3.58Å; F337-V385 HydrophobicContact CE1-CG2 3.94Å; F337-V385 HydrophobicContact CE2-CG2 3.91Å; F337-V385 HydrophobicContact CG-CG2 3.43Å; F337-V385 VanDerWaalsContact CG-CG2 3.43Å; F337-V385 HydrophobicContact CZ-CG2 4.07Å; F337-L388 HydrophobicContact CE1-CD2 3.91Å; F337-L388 HydrophobicContact CZ-CD2 3.58Å |
| 338 | G | 82.7 | Confident | 86.9 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 88.5 | 161.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S340 H341 E384 | G338-S340 PolarHBondContact O-N 3.15Å; G338-H341 PolarHBondContact N-CD2 3.25Å; G338-H341 PolarHBondContact O-CD2 3.48Å; G338-H341 PolarHBondContact O-N 3.25Å; G338-E384 PolarHBondContact N-OE2 3.45Å |
| 339 | G | 75.8 | Confident | 87 | Confident | 62 Ų | 62 | 50.7 Ų | 50.7 | 64% | 0.639 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 0 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 340 | S | 76.8 | Confident | 87.1 | Confident | 73 Ų | 73 | 44.7 Ų | 44.7 | 51% | 0.51 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 60.9 | 0 | 0 | 0 | 0 | 110.2 | G338 E342 | G338-S340 PolarHBondContact O-N 3.15Å; S340-E342 PolarHBondContact O-N 3.44Å | |
| 341 | H | 85.4 | Confident | 87.1 | Confident | 29 Ų | 29 | 41.2 Ų | 41.2 | 13% | 0.134 | 23% | 0.225 | C | C | . | . | 0 | 0 | 0 | -61.2 | 135.2 | 0 | 0 | 0 | 111 | W285 I286 R335 F336 G338 E384 | W285-H341 AromaticContact CE2-ND1 3.95Å; W285-H341 HydrophobicContact CH2-CB 4.49Å; W285-H341 HydrophobicContact CZ2-CB 3.98Å; W285-H341 AromaticContact CZ2-ND1 3.67Å; W285-H341 AromaticContact NE1-ND1 3.75Å; I286-H341 HydrophobicContact CD1-CB 4.09Å; I286-H341 WeakPolarHBondContact CD1-CD2 3.19Å; R335-H341 HydrophobicContact CG-CB 4.48Å; F336-H341 VanDerWaalsContact O-CA 3.32Å; F336-H341 WeakPolarHBondContact O-CA 3.43Å; F336-H341 PolarHBondContact O-CD2 3.41Å; G338-H341 PolarHBondContact N-CD2 3.25Å; G338-H341 PolarHBondContact O-CD2 3.48Å; G338-H341 PolarHBondContact O-N 3.25Å; H341-E384 IonicContact CD2-OE2 3.31Å; H341-E384 PolarHBondContact CD2-OE2 3.18Å; H341-E384 IonicContact CE1-OE1 3.51Å; H341-E384 PolarHBondContact CE1-OE1 3.25Å; H341-E384 IonicContact CE1-OE2 3.51Å; H341-E384 IonicContact NE2-OE1 2.18Å; H341-E384 PolarHBondContact NE2-OE1 3.32Å; H341-E384 IonicContact NE2-OE2 3.93Å; H341-E384 PolarHBondContact NE2-OE2 3.15Å | |||
| 342 | E | 82.6 | Confident | 87 | Confident | 62 Ų | 62 | 45.9 Ų | 45.9 | 29% | 0.29 | 24% | 0.243 | S | C | . | . | 0 | 139.5 | 0 | -175.7 | 179.9 | -179.4 | 0 | 0 | 110.2 | T303 F336 S340 | T303-E342 WeakPolarHBondContact CB-OE2 3.31Å; T303-E342 WeakPolarHBondContact CG2-OE1 3.23Å; T303-E342 WeakPolarHBondContact CG2-OE2 3.09Å; T303-E342 PolarHBondContact OG1-OE2 3.42Å; F336-E342 WeakPolarHBondContact CD2-O 3.4Å; F336-E342 PolarHBondContact N-O 3.25Å; F336-E342 VanDerWaalsContact N-O 3.16Å; S340-E342 PolarHBondContact O-N 3.44Å | |||
| 343 | R | 87.4 | Confident | 86.8 | Confident | 77 Ų | 77 | 45.8 Ų | 45.8 | 29% | 0.291 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 142.2 | 174 | -69.9 | -173.6 | -67.4 | 173.3 | -0.9 | 110.5 | E267 L325 I334 R335 | E267-R343 IonicContact OE2-CZ 3.62Å; E267-R343 IonicContact OE2-NH1 3.75Å; E267-R343 IonicContact OE2-NH2 3.56Å; E267-R343 PolarHBondContact OE2-NH2 3.02Å; L325-R343 HydrophobicContact CD1-CG 4.4Å; I334-R343 WeakPolarHBondContact O-CA 3.48Å; R335-R343 HydrophobicContact CB-CG 4.21Å; R335-R343 HydrophobicContact CG-CG 4.13Å |
| 344 | M | 87.1 | Confident | 86.6 | Confident | 38 Ų | 38 | 46.1 Ų | 46.1 | 19% | 0.187 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 145 | -177.5 | -157.9 | -175.8 | -62.7 | 0 | 0 | 108.9 | T303 I334 F336 V346 | T303-M344 HydrophobicContact CG2-CE 3.64Å; T303-M344 WeakPolarHBondContact OG1-CE 3.48Å; I334-M344 WeakPolarHBondContact CG1-O 3.33Å; I334-M344 PolarHBondContact N-O 3.46Å; I334-M344 PolarHBondContact O-N 3.09Å; F336-M344 HydrophobicContact CE2-CB 3.91Å; F336-M344 HydrophobicContact CE2-CE 3.79Å; F336-M344 HydrophobicContact CE2-SD 4.26Å; M344-V346 HydrophobicContact CB-CG2 4.33Å; M344-V346 HydrophobicContact SD-CG2 4.41Å |
| 345 | F | 89 | Confident | 86.2 | Confident | 75 Ų | 75 | 53.4 Ų | 53.4 | 33% | 0.329 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 124.1 | 169.1 | 177.6 | -99.5 | 0 | 0 | 0 | 110.1 | R328 D330 Y332 K347 | R328-F345 HydrophobicContact CB-CE2 4.19Å; R328-F345 HydrophobicContact CG-CE2 4.4Å; D330-F345 VanDerWaalsContact CG-CZ 3.47Å; D330-F345 VanDerWaalsContact OD1-CZ 3.29Å; D330-F345 WeakPolarHBondContact OD1-CZ 1.72Å; D330-F345 WeakPolarHBondContact OD2-CZ 3.17Å; Y332-F345 CarbonylContact O-C 3.53Å; Y332-F345 WeakPolarHBondContact O-CA 3.43Å; F345-K347 HydrophobicContact CE1-CG 4.35Å |
| 346 | V | 88.6 | Confident | 85.7 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.036 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 126.6 | -177.4 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | A299 G331 Y332 I334 F336 M344 H350 T351 | A299-V346 HydrophobicContact CB-CB 4.49Å; A299-V346 HydrophobicContact CB-CG1 4.29Å; A299-V346 HydrophobicContact CB-CG2 4.18Å; G331-V346 CarbonylContact C-O 2.87Å; G331-V346 WeakPolarHBondContact CA-O 3.12Å; Y332-V346 PolarHBondContact N-O 3.09Å; Y332-V346 PolarHBondContact O-N 3.22Å; I334-V346 HydrophobicContact CD1-CB 4.15Å; I334-V346 HydrophobicContact CD1-CG2 3.35Å; I334-V346 HydrophobicContact CG1-CG2 3.78Å; F336-V346 HydrophobicContact CZ-CG2 4.34Å; M344-V346 HydrophobicContact CB-CG2 4.33Å; M344-V346 HydrophobicContact SD-CG2 4.41Å; V346-H350 HydrophobicContact CG1-CB 3.5Å; V346-H350 VanDerWaalsContact CG1-CB 3.5Å; V346-T351 HydrophobicContact CB-CG2 4.01Å; V346-T351 HydrophobicContact CG1-CG2 3.5Å; V346-T351 VanDerWaalsContact CG1-CG2 3.5Å |
| 347 | K | 88.9 | Confident | 85.1 | Confident | 131 Ų | 131 | 57.8 Ų | 57.8 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 151.5 | 177.3 | -70.5 | -175.8 | -178.6 | 175.1 | 0 | 110.9 | D330 F345 A349 H350 T351 | D330-K347 WeakPolarHBondContact O-CA 3.21Å; F345-K347 HydrophobicContact CE1-CG 4.35Å; K347-A349 PolarHBondContact O-N 2.62Å; K347-H350 PolarHBondContact O-N 2.52Å; K347-T351 WeakPolarHBondContact O-CG2 3.41Å |
| 348 | K | 88.2 | Confident | 84.3 | Confident | 84 Ų | 84 | 57.9 Ų | 57.9 | 37% | 0.365 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -60 | -26.3 | -174.7 | -76.4 | -173.6 | -179.6 | 179.8 | 0 | 110.3 | R328 D329 D330 Y332 H350 T351 | R328-K348 WeakPolarHBondContact O-CE 3.18Å; D329-K348 WeakPolarHBondContact O-CE 3.47Å; D329-K348 PolarHBondContact O-NZ 3.05Å; D330-K348 PolarHBondContact O-N 3.38Å; Y332-K348 HydrophobicContact CD2-CG 4.19Å; Y332-K348 HydrophobicContact CE2-CB 4.38Å; Y332-K348 HydrophobicContact CE2-CG 3.7Å; K348-H350 PolarHBondContact O-N 2.94Å; K348-H350 VanDerWaalsContact O-N 3.14Å; K348-T351 PolarHBondContact O-N 3.49Å; K348-T351 VanDerWaalsContact O-N 3.13Å; K348-T351 PolarHBondContact O-OG1 2.56Å |
| 349 | A | 87.2 | Confident | 83.8 | Confident | 80 Ų | 80 | 63.4 Ų | 63.4 | 66% | 0.661 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -65.3 | -21.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K347 T351 | K347-A349 PolarHBondContact O-N 2.62Å; A349-T351 VanDerWaalsContact C-N 3.28Å |
| 350 | H | 86.7 | Confident | 83.5 | Confident | 33 Ų | 33 | 66.3 Ų | 66.3 | 15% | 0.153 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -108.7 | 26.2 | -175.8 | -63.6 | 157.7 | 0 | 0 | 0 | 110.5 | R300 R302 V346 K347 K348 | R300-H350 HydrophobicContact CB-CB 4.1Å; R300-H350 HydrophobicContact CG-CB 4.43Å; R300-H350 PolarHBondContact N-O 2.89Å; R302-H350 VanDerWaalsContact CZ-ND1 3.32Å; R302-H350 CovalentContact NH2-CE1 1.89Å; R302-H350 PolarHBondContact NH2-CE1 3Å; R302-H350 PolarHBondContact NH2-ND1 2.92Å; R302-H350 PolarHBondContact NH2-NE2 3.07Å; V346-H350 HydrophobicContact CG1-CB 3.5Å; V346-H350 VanDerWaalsContact CG1-CB 3.5Å; K347-H350 PolarHBondContact O-N 2.52Å; K348-H350 PolarHBondContact O-N 2.94Å; K348-H350 VanDerWaalsContact O-N 3.14Å |
| 351 | T | 88.2 | Confident | 83.2 | Confident | 22 Ų | 22 | 63 Ų | 63 | 14% | 0.135 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 154.1 | 178.6 | 60.6 | 0 | 0 | 0 | 0 | 108.9 | I297 W298 A299 Y332 V346 K347 K348 A349 | I297-T351 HydrophobicContact CD1-CG2 3.92Å; W298-T351 CarbonylContact O-C 3.31Å; W298-T351 VanDerWaalsContact O-C 3.31Å; W298-T351 WeakPolarHBondContact O-CA 3.13Å; A299-T351 HydrophobicContact CB-CG2 4.36Å; Y332-T351 HydrophobicContact CD2-CG2 3.69Å; Y332-T351 HydrophobicContact CE2-CG2 4.31Å; Y332-T351 WeakPolarHBondContact CE2-OG1 3.37Å; V346-T351 HydrophobicContact CB-CG2 4.01Å; V346-T351 HydrophobicContact CG1-CG2 3.5Å; V346-T351 VanDerWaalsContact CG1-CG2 3.5Å; K347-T351 WeakPolarHBondContact O-CG2 3.41Å; K348-T351 PolarHBondContact O-N 3.49Å; K348-T351 VanDerWaalsContact O-N 3.13Å; K348-T351 PolarHBondContact O-OG1 2.56Å; A349-T351 VanDerWaalsContact C-N 3.28Å |
| 352 | R | 86.3 | Confident | 82.5 | Confident | 97 Ų | 97 | 63.1 Ų | 63.1 | 37% | 0.366 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.8 | 175.7 | -64.7 | -164 | -179.1 | -147.6 | 2.9 | 109 | W298 Y319 F354 L356 E360 V361 | W298-R352 HydrophobicContact CB-CB 3.89Å; W298-R352 PolarHBondContact N-O 3.27Å; W298-R352 PolarHBondContact O-N 3.38Å; Y319-R352 HydrophobicContact CD1-CB 4.49Å; Y319-R352 HydrophobicContact CD1-CG 4.1Å; Y319-R352 HydrophobicContact CE1-CB 4.21Å; Y319-R352 HydrophobicContact CE1-CG 3.43Å; Y319-R352 VanDerWaalsContact CE1-CG 3.43Å; Y319-R352 VanDerWaalsContact CZ-NE 3.33Å; Y319-R352 PolarHBondContact OH-NE 2.77Å; Y319-R352 VanDerWaalsContact OH-NE 3.16Å; R352-F354 PolarHBondContact O-N 2.83Å; R352-L356 HydrophobicContact CB-CD1 3.71Å; R352-L356 HydrophobicContact CG-CD1 4.34Å; R352-E360 PolarHBondContact NH1-O 3.29Å; R352-V361 HydrophobicContact CB-CG1 3.82Å; R352-V361 HydrophobicContact CB-CG2 4.39Å; R352-V361 HydrophobicContact CG-CG1 3.78Å |
| 353 | A | 87.5 | Confident | 81.9 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 27% | 0.273 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 141.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | W298 H355 L356 | W298-A353 PolarHBondContact NE1-O 3.33Å; A353-H355 WeakPolarHBondContact CB-CE1 2.88Å; A353-H355 WeakPolarHBondContact CB-ND1 3.13Å; A353-H355 PolarHBondContact O-N 2.92Å; A353-L356 HydrophobicContact CB-CG 4.49Å; A353-L356 WeakPolarHBondContact O-CB 2.93Å; A353-L356 PolarHBondContact O-N 3.16Å; A353-L356 VanDerWaalsContact O-N 3.12Å |
| 354 | F | 87.8 | Confident | 80.9 | Confident | 46 Ų | 46 | 57.6 Ų | 57.6 | 20% | 0.202 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -20.1 | -173.2 | -172.8 | -110.6 | 0 | 0 | 0 | 109.9 | L296 W298 P321 R352 L356 W382 V385 | L296-F354 HydrophobicContact CB-CB 3.72Å; L296-F354 HydrophobicContact CB-CD1 3.59Å; L296-F354 HydrophobicContact CB-CD2 3.74Å; L296-F354 HydrophobicContact CB-CE1 4.09Å; L296-F354 HydrophobicContact CB-CE2 4.23Å; L296-F354 HydrophobicContact CB-CG 3.39Å; L296-F354 HydrophobicContact CB-CZ 4.39Å; L296-F354 HydrophobicContact CD1-CD1 3.85Å; L296-F354 HydrophobicContact CD1-CE1 3.54Å; L296-F354 HydrophobicContact CD1-CE2 4.46Å; L296-F354 HydrophobicContact CD1-CG 4.43Å; L296-F354 HydrophobicContact CD1-CZ 3.88Å; L296-F354 HydrophobicContact CG-CD1 4.39Å; L296-F354 HydrophobicContact CG-CE1 4.5Å; L296-F354 WeakPolarHBondContact O-CB 3.26Å; W298-F354 HydrophobicContact CD2-CD2 4.29Å; W298-F354 AromaticContact CE2-CD2 3.84Å; W298-F354 HydrophobicContact CH2-CE2 4.17Å; W298-F354 HydrophobicContact CZ2-CD2 4.05Å; W298-F354 AromaticContact CZ2-CE2 3.86Å; W298-F354 HydrophobicContact CZ2-CE2 3.86Å; W298-F354 AromaticContact NE1-CD2 3.94Å; W298-F354 PolarHBondContact NE1-O 2.86Å; W298-F354 VanDerWaalsContact NE1-O 3.15Å; P321-F354 HydrophobicContact CB-CE2 3.93Å; R352-F354 PolarHBondContact O-N 2.83Å; F354-L356 PolarHBondContact O-N 3.44Å; F354-L356 VanDerWaalsContact O-N 3.14Å; F354-W382 HydrophobicContact CE2-CZ3 4.48Å; F354-W382 HydrophobicContact CZ-CZ3 4.36Å; F354-V385 HydrophobicContact CE1-CG1 4.11Å; F354-V385 HydrophobicContact CE2-CG1 4.13Å; F354-V385 HydrophobicContact CZ-CG1 3.31Å |
| 355 | H | 82.4 | Confident | 79.7 | Confident | 152 Ų | 152 | 59.2 Ų | 59.2 | 70% | 0.704 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -13.7 | 179.9 | 68.7 | -82.5 | 0 | 0 | 0 | 111.3 | A353 P357 | A353-H355 WeakPolarHBondContact CB-CE1 2.88Å; A353-H355 WeakPolarHBondContact CB-ND1 3.13Å; A353-H355 PolarHBondContact O-N 2.92Å; H355-P357 WeakPolarHBondContact O-CD 3.47Å |
| 356 | L | 81 | Confident | 78.1 | Confident | 42 Ų | 42 | 63.8 Ų | 63.8 | 22% | 0.22 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -72.9 | 124.4 | 175.4 | -65 | 172.5 | 0 | 0 | 0 | 111 | W298 R352 A353 F354 A358 V361 | W298-L356 PolarHBondContact NE1-O 3.44Å; R352-L356 HydrophobicContact CB-CD1 3.71Å; R352-L356 HydrophobicContact CG-CD1 4.34Å; A353-L356 HydrophobicContact CB-CG 4.49Å; A353-L356 WeakPolarHBondContact O-CB 2.93Å; A353-L356 PolarHBondContact O-N 3.16Å; A353-L356 VanDerWaalsContact O-N 3.12Å; F354-L356 PolarHBondContact O-N 3.44Å; F354-L356 VanDerWaalsContact O-N 3.14Å; L356-A358 PolarHBondContact O-N 3.37Å; L356-V361 HydrophobicContact CB-CG2 3.44Å; L356-V361 VanDerWaalsContact CB-CG2 3.44Å; L356-V361 HydrophobicContact CD1-CG2 4.14Å; L356-V361 HydrophobicContact CG-CG2 4.46Å |
| 357 | P | 77.1 | Confident | 76.4 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | trans | -54 | 138.9 | -178.7 | -17.4 | 23.9 | 0 | 0 | 0 | 111.6 | H355 D359 E360 V361 | H355-P357 WeakPolarHBondContact O-CD 3.47Å; P357-D359 PolarHBondContact O-N 3.07Å; P357-E360 HydrophobicContact CG-CG 4.39Å; P357-E360 PolarHBondContact O-N 3.04Å; P357-V361 WeakPolarHBondContact O-CG2 2.56Å | ||
| 358 | A | 74.2 | Confident | 74.7 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 3% | 0.033 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -48.7 | -22.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | W298 L356 E360 V363 F378 | W298-A358 HydrophobicContact CH2-CB 3.86Å; W298-A358 HydrophobicContact CZ2-CB 4Å; L356-A358 PolarHBondContact O-N 3.37Å; A358-E360 PolarHBondContact O-N 2.85Å; A358-V363 HydrophobicContact CB-CG2 4.04Å; A358-V363 WeakPolarHBondContact O-CG2 3.37Å; A358-F378 HydrophobicContact CB-CZ 4.17Å |
| 359 | D | 71.8 | Confident | 72.9 | Confident | 121 Ų | 121 | 63.2 Ų | 63.2 | 65% | 0.647 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -80.3 | -19.4 | -176.1 | -67.4 | -26.1 | 0 | 0 | 0 | 110.7 | P357 R365 | P357-D359 PolarHBondContact O-N 3.07Å; D359-R365 IonicContact OD1-CZ 3.25Å; D359-R365 VanDerWaalsContact OD1-CZ 3.25Å; D359-R365 IonicContact OD1-NE 3.63Å; D359-R365 IonicContact OD1-NH1 3.32Å; D359-R365 PolarHBondContact OD1-NH1 3.14Å; D359-R365 IonicContact OD1-NH2 3.85Å; D359-R365 IonicContact OD2-NH1 3.89Å |
| 360 | E | 69.9 | Low | 70.9 | Confident | 122 Ų | 122 | 66.3 Ų | 66.3 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -97.2 | -6.4 | -175.3 | -70.6 | -178.1 | -172.2 | 0 | 0 | 111.3 | R352 P357 A358 | R352-E360 PolarHBondContact NH1-O 3.29Å; P357-E360 HydrophobicContact CG-CG 4.39Å; P357-E360 PolarHBondContact O-N 3.04Å; A358-E360 PolarHBondContact O-N 2.85Å |
| 361 | V | 70.9 | Confident | 68.8 | Low | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.018 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -110.9 | -1.4 | -170.2 | -177.2 | 0 | 0 | 0 | 0 | 109 | W298 Y319 R352 L356 P357 V363 | W298-V361 HydrophobicContact CB-CB 4.46Å; W298-V361 HydrophobicContact CB-CG1 3.52Å; W298-V361 HydrophobicContact CD2-CG1 4.49Å; W298-V361 HydrophobicContact CG-CB 4.26Å; W298-V361 HydrophobicContact CG-CG1 3.85Å; W298-V361 HydrophobicContact CG-CG2 4.04Å; Y319-V361 HydrophobicContact CD1-CG1 3.25Å; Y319-V361 VanDerWaalsContact CD2-C 3.44Å; Y319-V361 HydrophobicContact CD2-CB 4.27Å; Y319-V361 HydrophobicContact CD2-CG1 3.22Å; Y319-V361 WeakPolarHBondContact CD2-O 3.05Å; Y319-V361 HydrophobicContact CE1-CG1 3.84Å; Y319-V361 HydrophobicContact CE2-CG1 3.8Å; Y319-V361 WeakPolarHBondContact CE2-O 3.27Å; Y319-V361 HydrophobicContact CG-CB 4.19Å; Y319-V361 HydrophobicContact CG-CG1 2.9Å; R352-V361 HydrophobicContact CB-CG1 3.82Å; R352-V361 HydrophobicContact CB-CG2 4.39Å; R352-V361 HydrophobicContact CG-CG1 3.78Å; L356-V361 HydrophobicContact CB-CG2 3.44Å; L356-V361 VanDerWaalsContact CB-CG2 3.44Å; L356-V361 HydrophobicContact CD1-CG2 4.14Å; L356-V361 HydrophobicContact CG-CG2 4.46Å; P357-V361 WeakPolarHBondContact O-CG2 2.56Å; V361-V363 HydrophobicContact CB-CG2 4.48Å |
| 362 | G | 70.2 | Confident | 66.7 | Low | 32 Ų | 32 | 71.8 Ų | 71.8 | 33% | 0.33 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 0 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F318 Y319 | F318-G362 VanDerWaalsContact CA-O 3.24Å; F318-G362 WeakPolarHBondContact CA-O 3.27Å; F318-G362 WeakPolarHBondContact CD1-O 3.38Å; Y319-G362 PolarHBondContact N-O 3.36Å |
| 363 | V | 69.5 | Low | 64.8 | Low | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.03 | 41% | 0.411 | C | S | . | . | B | Isolated β-bridge | 0 | 143 | 0 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | W298 A358 V361 R365 F378 | W298-V363 HydrophobicContact CE3-CG2 4.09Å; W298-V363 HydrophobicContact CH2-CG2 4.35Å; W298-V363 HydrophobicContact CZ3-CG2 3.88Å; A358-V363 HydrophobicContact CB-CG2 4.04Å; A358-V363 WeakPolarHBondContact O-CG2 3.37Å; V361-V363 HydrophobicContact CB-CG2 4.48Å; V363-R365 HydrophobicContact CG1-CG 4.48Å; V363-R365 PolarHBondContact O-N 2.72Å; V363-R365 VanDerWaalsContact O-N 3.08Å; V363-F378 HydrophobicContact CB-CD2 4.36Å; V363-F378 HydrophobicContact CB-CE2 3.71Å; V363-F378 HydrophobicContact CB-CZ 3.86Å; V363-F378 HydrophobicContact CG1-CD1 3.84Å; V363-F378 HydrophobicContact CG1-CD2 2.84Å; V363-F378 HydrophobicContact CG1-CE1 3.55Å; V363-F378 HydrophobicContact CG1-CE2 2.43Å; V363-F378 HydrophobicContact CG1-CG 3.52Å; V363-F378 HydrophobicContact CG1-CZ 2.87Å; V363-F378 HydrophobicContact CG2-CE2 3.95Å; V363-F378 HydrophobicContact CG2-CZ 4.14Å | |
| 364 | L | 65.6 | Low | 62.9 | Low | 18 Ų | 18 | 75.2 Ų | 75.2 | 9% | 0.094 | 44% | 0.438 | C | S | . | . | trans | -82.5 | 95.8 | 179.6 | -174.1 | 62.7 | 0 | 0 | 0 | 110.3 | F318 N368 A369 I373 F378 | F318-L364 HydrophobicContact CB-CB 4.2Å; F318-L364 HydrophobicContact CD1-CB 3.89Å; F318-L364 HydrophobicContact CD1-CD1 4.27Å; F318-L364 HydrophobicContact CD2-CB 4.25Å; F318-L364 HydrophobicContact CD2-CD1 4.49Å; F318-L364 HydrophobicContact CD2-CD2 4.39Å; F318-L364 HydrophobicContact CE1-CB 4.3Å; F318-L364 HydrophobicContact CE1-CD1 3.81Å; F318-L364 HydrophobicContact CE2-CD1 4.04Å; F318-L364 HydrophobicContact CE2-CD2 4.42Å; F318-L364 HydrophobicContact CG-CB 3.86Å; F318-L364 HydrophobicContact CZ-CD1 3.68Å; L364-N368 HydrophobicContact CD1-CB 4.41Å; L364-A369 HydrophobicContact CD1-CB 4.26Å; L364-I373 HydrophobicContact CD2-CB 4.43Å; L364-I373 HydrophobicContact CD2-CD1 4.4Å; L364-I373 HydrophobicContact CD2-CG2 3.36Å; L364-I373 HydrophobicContact CG-CG2 4.41Å; L364-F378 WeakPolarHBondContact O-CB 3.31Å | ||
| 365 | R | 62.2 | Low | 61.2 | Low | 72 Ų | 72 | 73.2 Ų | 73.2 | 27% | 0.272 | 43% | 0.43 | S | S | . | . | trans | -97.6 | 147.2 | 176 | -76.4 | -164.2 | 176.5 | 162.1 | -0.9 | 110.1 | D359 V363 S367 N368 F378 | D359-R365 IonicContact OD1-CZ 3.25Å; D359-R365 VanDerWaalsContact OD1-CZ 3.25Å; D359-R365 IonicContact OD1-NE 3.63Å; D359-R365 IonicContact OD1-NH1 3.32Å; D359-R365 PolarHBondContact OD1-NH1 3.14Å; D359-R365 IonicContact OD1-NH2 3.85Å; D359-R365 IonicContact OD2-NH1 3.89Å; V363-R365 HydrophobicContact CG1-CG 4.48Å; V363-R365 PolarHBondContact O-N 2.72Å; V363-R365 VanDerWaalsContact O-N 3.08Å; R365-S367 PolarHBondContact O-N 3.01Å; R365-N368 WeakPolarHBondContact O-CA 3.28Å; R365-N368 PolarHBondContact O-N 3.09Å; R365-F378 HydrophobicContact CG-CD1 4.02Å; R365-F378 HydrophobicContact CG-CE1 3.86Å | ||
| 366 | R | 56.2 | Low | 60 | Low | 172 Ų | 172 | 68 Ų | 68 | 65% | 0.649 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -37.2 | 0 | 177.5 | -100.2 | -172.7 | -96.7 | -160.8 | -1.8 | 111.4 | N368 E379 | R366-N368 PolarHBondContact O-N 2.84Å; R366-E379 WeakPolarHBondContact CB-OE1 3.05Å; R366-E379 WeakPolarHBondContact CG-OE1 2.99Å; R366-E379 IonicContact CZ-OE1 2.99Å; R366-E379 IonicContact NE-OE1 4Å; R366-E379 PolarHBondContact NE-OE1 3.38Å; R366-E379 IonicContact NE-OE2 3.94Å |
| 367 | S | 52.3 | Low | 59.6 | Low | 84 Ų | 84 | 67.2 Ų | 67.2 | 59% | 0.587 | 42% | 0.42 | S | S | * | . | G | 310 helix | 0 | 0 | 0 | 49.6 | 0 | 0 | 0 | 0 | 111.1 | R365 | R365-S367 PolarHBondContact O-N 3.01Š| |
| 368 | N | 53 | Low | 59.7 | Low | 102 Ų | 102 | 64.5 Ų | 64.5 | 55% | 0.545 | 40% | 0.401 | S | S | . | . | G | 310 helix | 0 | 8 | 0 | -80.7 | 17.6 | 0 | 0 | 0 | 111.4 | L364 R365 R366 | L364-N368 HydrophobicContact CD1-CB 4.41Å; R365-N368 WeakPolarHBondContact O-CA 3.28Å; R365-N368 PolarHBondContact O-N 3.09Å; R366-N368 PolarHBondContact O-N 2.84Å | |
| 369 | A | 50.5 | Low | 60.1 | Low | 22 Ų | 22 | 66 Ų | 66 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | trans | -116.1 | 76.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | L364 G371 I373 | L364-A369 HydrophobicContact CD1-CB 4.26Å; A369-G371 PolarHBondContact O-N 3.43Å; A369-G371 VanDerWaalsContact O-N 3.16Å; A369-I373 HydrophobicContact CB-CB 3.65Å; A369-I373 HydrophobicContact CB-CD1 3.84Å; A369-I373 HydrophobicContact CB-CG1 4.06Å | ||
| 370 | T | 46.4 | Very low | 60.6 | Low | 145 Ų | 145 | 68 Ų | 68 | 89% | 0.89 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -47.7 | 75.8 | 158.7 | 10 | 0 | 0 | 0 | 0 | 111.1 | ||
| 371 | G | 41 | Very low | 61.4 | Low | 63 Ų | 63 | 62.2 Ų | 62.2 | 65% | 0.649 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 113.4 | 0 | 146.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A369 | A369-G371 PolarHBondContact O-N 3.43Å; A369-G371 VanDerWaalsContact O-N 3.16Å |
| 372 | A | 43.9 | Very low | 62.2 | Low | 108 Ų | 108 | 66.3 Ų | 66.3 | 89% | 0.893 | 39% | 0.394 | S | S | * | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | |||
| 373 | I | 47.4 | Very low | 63 | Low | 83 Ų | 83 | 70 Ų | 70 | 43% | 0.426 | 41% | 0.406 | S | S | . | . | 0 | 90.9 | 0 | -57.8 | 174.5 | 0 | 0 | 0 | 108.2 | L364 A369 G375 | L364-I373 HydrophobicContact CD2-CB 4.43Å; L364-I373 HydrophobicContact CD2-CD1 4.4Å; L364-I373 HydrophobicContact CD2-CG2 3.36Å; L364-I373 HydrophobicContact CG-CG2 4.41Å; A369-I373 HydrophobicContact CB-CB 3.65Å; A369-I373 HydrophobicContact CB-CD1 3.84Å; A369-I373 HydrophobicContact CB-CG1 4.06Å; I373-G375 PolarHBondContact O-N 3.18Å | |||
| 374 | S | 48.4 | Very low | 64 | Low | 118 Ų | 118 | 70.6 Ų | 70.6 | 83% | 0.825 | 41% | 0.409 | S | S | * | . | trans | -29.4 | 0 | 171.3 | -78.3 | 0 | 0 | 0 | 0 | 111.2 | G376 | S374-G376 PolarHBondContact O-N 3.36Š| ||
| 375 | G | 50.9 | Low | 65.2 | Low | 4 Ų | 4 | 70 Ų | 70 | 4% | 0.041 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 112.7 | I373 G377 E379 | I373-G375 PolarHBondContact O-N 3.18Å; G375-G377 PolarHBondContact O-N 2.73Å; G375-E379 VanDerWaalsContact O-OE1 3.04Å; G375-E379 CovalentContact O-OE2 1.47Å | |
| 376 | G | 56.8 | Low | 66.5 | Low | 43 Ų | 43 | 69.3 Ų | 69.3 | 44% | 0.443 | 41% | 0.412 | S | S | . | . | H | α-helix | 0 | -10.3 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | S374 E379 R380 | S374-G376 PolarHBondContact O-N 3.36Å; G376-E379 WeakPolarHBondContact CA-OE2 2.98Å; G376-R380 WeakPolarHBondContact O-CB 3.35Å; G376-R380 PolarHBondContact O-N 2.98Å; G376-R380 VanDerWaalsContact O-N 3.17Å | |
| 377 | G | 73 | Confident | 68.1 | Low | 26 Ų | 26 | 65.2 Ų | 65.2 | 27% | 0.268 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -80.8 | -33.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | W320 G375 A381 | W320-G377 VanDerWaalsContact CH2-C 3.45Å; W320-G377 WeakPolarHBondContact CZ3-O 3.1Å; G375-G377 PolarHBondContact O-N 2.73Å; G377-A381 PolarHBondContact O-N 3.31Å; G377-A381 VanDerWaalsContact O-N 3.12Å |
| 378 | F | 79.5 | Confident | 69.9 | Low | 7 Ų | 7 | 61.5 Ų | 61.5 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -76.4 | 0 | -178.5 | 178.2 | -101.2 | 0 | 0 | 0 | 110.6 | W298 W320 A358 V363 L364 R365 R380 A381 W382 | W298-F378 HydrophobicContact CH2-CE2 4.38Å; W298-F378 HydrophobicContact CH2-CZ 4.26Å; W298-F378 AromaticContact CZ3-CE2 3.92Å; W298-F378 HydrophobicContact CZ3-CE2 3.92Å; W298-F378 HydrophobicContact CZ3-CZ 4.26Å; W320-F378 HydrophobicContact CH2-CB 4.34Å; W320-F378 HydrophobicContact CZ3-CB 4.32Å; A358-F378 HydrophobicContact CB-CZ 4.17Å; V363-F378 HydrophobicContact CB-CD2 4.36Å; V363-F378 HydrophobicContact CB-CE2 3.71Å; V363-F378 HydrophobicContact CB-CZ 3.86Å; V363-F378 HydrophobicContact CG1-CD1 3.84Å; V363-F378 HydrophobicContact CG1-CD2 2.84Å; V363-F378 HydrophobicContact CG1-CE1 3.55Å; V363-F378 HydrophobicContact CG1-CE2 2.43Å; V363-F378 HydrophobicContact CG1-CG 3.52Å; V363-F378 HydrophobicContact CG1-CZ 2.87Å; V363-F378 HydrophobicContact CG2-CE2 3.95Å; V363-F378 HydrophobicContact CG2-CZ 4.14Å; L364-F378 WeakPolarHBondContact O-CB 3.31Å; R365-F378 HydrophobicContact CG-CD1 4.02Å; R365-F378 HydrophobicContact CG-CE1 3.86Å; F378-R380 PolarHBondContact O-N 3.09Å; F378-A381 CarbonylContact O-C 3.3Å; F378-A381 WeakPolarHBondContact O-CA 3.34Å; F378-A381 VanDerWaalsContact O-CB 3.25Å; F378-A381 WeakPolarHBondContact O-CB 3.45Å; F378-A381 PolarHBondContact O-N 3.45Å; F378-W382 HydrophobicContact CE1-CB 4.4Å; F378-W382 HydrophobicContact CZ-CE3 4.1Å; F378-W382 WeakPolarHBondContact O-CB 3.41Å; F378-W382 PolarHBondContact O-N 3.16Å |
| 379 | E | 82 | Confident | 71.6 | Confident | 37 Ų | 37 | 60.2 Ų | 60.2 | 17% | 0.173 | 36% | 0.363 | C | S | . | . | H | α-helix | 0 | -39.1 | 0 | -76.7 | 85.2 | -172.7 | 0 | 0 | 111.4 | R366 G375 G376 A381 W382 N383 | R366-E379 WeakPolarHBondContact CB-OE1 3.05Å; R366-E379 WeakPolarHBondContact CG-OE1 2.99Å; R366-E379 IonicContact CZ-OE1 2.99Å; R366-E379 IonicContact NE-OE1 4Å; R366-E379 PolarHBondContact NE-OE1 3.38Å; R366-E379 IonicContact NE-OE2 3.94Å; G375-E379 VanDerWaalsContact O-OE1 3.04Å; G375-E379 CovalentContact O-OE2 1.47Å; G376-E379 WeakPolarHBondContact CA-OE2 2.98Å; E379-A381 PolarHBondContact O-N 2.79Å; E379-W382 PolarHBondContact O-N 2.31Å; E379-N383 VanDerWaalsContact O-CG 3.27Å; E379-N383 PolarHBondContact O-N 2.82Å; E379-N383 PolarHBondContact O-ND2 3.47Å | |
| 380 | R | 83.7 | Confident | 73.4 | Confident | 163 Ų | 163 | 61.7 Ų | 61.7 | 62% | 0.615 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.3 | -45.4 | 176.2 | -176.3 | 179.1 | -136.1 | 145.8 | -0.8 | 110.6 | G376 F378 W382 N383 E384 | G376-R380 WeakPolarHBondContact O-CB 3.35Å; G376-R380 PolarHBondContact O-N 2.98Å; G376-R380 VanDerWaalsContact O-N 3.17Å; F378-R380 PolarHBondContact O-N 3.09Å; R380-W382 PolarHBondContact O-N 3.23Å; R380-N383 PolarHBondContact O-N 3.2Å; R380-E384 WeakPolarHBondContact O-CG 3.23Å; R380-E384 PolarHBondContact O-N 2.8Å; R380-E384 VanDerWaalsContact O-N 3.12Å |
| 381 | A | 86.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | W320 P321 F337 G377 F378 E379 E384 V385 | W320-A381 HydrophobicContact CE3-CB 4.06Å; W320-A381 HydrophobicContact CZ3-CB 4.04Å; P321-A381 HydrophobicContact CG-CB 3.92Å; F337-A381 VanDerWaalsContact C-CB 3.48Å; F337-A381 HydrophobicContact CB-CB 3.85Å; F337-A381 WeakPolarHBondContact O-CB 2.91Å; G377-A381 PolarHBondContact O-N 3.31Å; G377-A381 VanDerWaalsContact O-N 3.12Å; F378-A381 CarbonylContact O-C 3.3Å; F378-A381 WeakPolarHBondContact O-CA 3.34Å; F378-A381 VanDerWaalsContact O-CB 3.25Å; F378-A381 WeakPolarHBondContact O-CB 3.45Å; F378-A381 PolarHBondContact O-N 3.45Å; E379-A381 PolarHBondContact O-N 2.79Å; A381-E384 WeakPolarHBondContact O-CB 3.41Å; A381-E384 PolarHBondContact O-N 3.5Å; A381-V385 VanDerWaalsContact O-CG2 3.25Å; A381-V385 WeakPolarHBondContact O-CG2 1.87Å; A381-V385 PolarHBondContact O-N 3.09Å |
| 382 | W | 86.3 | Confident | 77.5 | Confident | 88 Ų | 88 | 54.8 Ų | 54.8 | 33% | 0.333 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.8 | -40.8 | -179.1 | -169.4 | -110.4 | 0 | 0 | 0 | 111 | W298 F354 F378 E379 R380 E384 V385 S386 | W298-W382 AromaticContact CH2-CE3 3.92Å; W298-W382 HydrophobicContact CH2-CE3 3.92Å; W298-W382 HydrophobicContact CH2-CH2 4.23Å; W298-W382 AromaticContact CH2-CZ3 3.25Å; W298-W382 HydrophobicContact CH2-CZ3 3.25Å; W298-W382 HydrophobicContact CZ2-CH2 4.29Å; W298-W382 AromaticContact CZ2-CZ3 3.69Å; W298-W382 HydrophobicContact CZ2-CZ3 3.69Å; W298-W382 HydrophobicContact CZ3-CZ3 4.41Å; F354-W382 HydrophobicContact CE2-CZ3 4.48Å; F354-W382 HydrophobicContact CZ-CZ3 4.36Å; F378-W382 HydrophobicContact CE1-CB 4.4Å; F378-W382 HydrophobicContact CZ-CE3 4.1Å; F378-W382 WeakPolarHBondContact O-CB 3.41Å; F378-W382 PolarHBondContact O-N 3.16Å; E379-W382 PolarHBondContact O-N 2.31Å; R380-W382 PolarHBondContact O-N 3.23Å; W382-E384 PolarHBondContact O-N 3.09Å; W382-V385 PolarHBondContact O-N 3.12Å; W382-S386 PolarHBondContact O-N 2.91Å; W382-S386 PolarHBondContact O-OG 3.41Å |
| 383 | N | 87.5 | Confident | 79.5 | Confident | 110 Ų | 110 | 55.4 Ų | 55.4 | 59% | 0.588 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58 | -37.4 | 175.7 | -75.6 | -19.9 | 0 | 0 | 0 | 111.3 | E379 R380 V385 S386 K387 | E379-N383 VanDerWaalsContact O-CG 3.27Å; E379-N383 PolarHBondContact O-N 2.82Å; E379-N383 PolarHBondContact O-ND2 3.47Å; R380-N383 PolarHBondContact O-N 3.2Å; N383-V385 VanDerWaalsContact C-N 3.33Å; N383-S386 PolarHBondContact O-N 2.84Å; N383-K387 WeakPolarHBondContact O-CB 2.37Å; N383-K387 PolarHBondContact O-N 2.95Å |
| 384 | E | 90.7 | Very high | 81.3 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 178.8 | -72 | 178.8 | 177.6 | 0 | 0 | 111 | I286 S287 F337 G338 H341 R380 A381 W382 S386 K387 L388 | I286-E384 HydrophobicContact CG2-CB 4.12Å; I286-E384 HydrophobicContact CG2-CG 4.12Å; I286-E384 WeakPolarHBondContact CG2-OE2 3.35Å; S287-E384 PolarHBondContact OG-O 3.37Å; F337-E384 HydrophobicContact CD1-CB 3.94Å; G338-E384 PolarHBondContact N-OE2 3.45Å; H341-E384 IonicContact CD2-OE2 3.31Å; H341-E384 PolarHBondContact CD2-OE2 3.18Å; H341-E384 IonicContact CE1-OE1 3.51Å; H341-E384 PolarHBondContact CE1-OE1 3.25Å; H341-E384 IonicContact CE1-OE2 3.51Å; H341-E384 IonicContact NE2-OE1 2.18Å; H341-E384 PolarHBondContact NE2-OE1 3.32Å; H341-E384 IonicContact NE2-OE2 3.93Å; H341-E384 PolarHBondContact NE2-OE2 3.15Å; R380-E384 WeakPolarHBondContact O-CG 3.23Å; R380-E384 PolarHBondContact O-N 2.8Å; R380-E384 VanDerWaalsContact O-N 3.12Å; A381-E384 WeakPolarHBondContact O-CB 3.41Å; A381-E384 PolarHBondContact O-N 3.5Å; W382-E384 PolarHBondContact O-N 3.09Å; E384-S386 VanDerWaalsContact C-N 3.29Å; E384-S386 PolarHBondContact O-N 3.27Å; E384-K387 PolarHBondContact O-N 3.36Å; E384-L388 WeakPolarHBondContact O-CB 3.49Å; E384-L388 PolarHBondContact O-N 3.46Å |
| 385 | V | 90.6 | Very high | 82.7 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 179.5 | 171.5 | 0 | 0 | 0 | 0 | 109.3 | L296 P321 F337 F354 A381 W382 N383 K387 L388 Q389 | L296-V385 HydrophobicContact CD1-CG1 4.26Å; P321-V385 HydrophobicContact CB-CG2 3.73Å; P321-V385 HydrophobicContact CG-CG2 3.94Å; F337-V385 HydrophobicContact CB-CG2 3.94Å; F337-V385 HydrophobicContact CD1-CG2 3.62Å; F337-V385 HydrophobicContact CD2-CG2 3.58Å; F337-V385 HydrophobicContact CE1-CG2 3.94Å; F337-V385 HydrophobicContact CE2-CG2 3.91Å; F337-V385 HydrophobicContact CG-CG2 3.43Å; F337-V385 VanDerWaalsContact CG-CG2 3.43Å; F337-V385 HydrophobicContact CZ-CG2 4.07Å; F354-V385 HydrophobicContact CE1-CG1 4.11Å; F354-V385 HydrophobicContact CE2-CG1 4.13Å; F354-V385 HydrophobicContact CZ-CG1 3.31Å; A381-V385 VanDerWaalsContact O-CG2 3.25Å; A381-V385 WeakPolarHBondContact O-CG2 1.87Å; A381-V385 PolarHBondContact O-N 3.09Å; W382-V385 PolarHBondContact O-N 3.12Å; N383-V385 VanDerWaalsContact C-N 3.33Å; V385-K387 VanDerWaalsContact C-N 3.26Å; V385-K387 PolarHBondContact O-N 2.86Å; V385-L388 WeakPolarHBondContact O-CB 3.3Å; V385-L388 PolarHBondContact O-N 3.21Å; V385-Q389 PolarHBondContact O-N 3.4Å |
| 386 | S | 90 | Very high | 83.8 | Confident | 58 Ų | 58 | 57 Ų | 57 | 41% | 0.406 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 178.7 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | W382 N383 E384 L388 Q389 A390 | W382-S386 PolarHBondContact O-N 2.91Å; W382-S386 PolarHBondContact O-OG 3.41Å; N383-S386 PolarHBondContact O-N 2.84Å; E384-S386 VanDerWaalsContact C-N 3.29Å; E384-S386 PolarHBondContact O-N 3.27Å; S386-L388 VanDerWaalsContact C-N 3.26Å; S386-L388 PolarHBondContact O-N 3.43Å; S386-Q389 PolarHBondContact O-N 2.86Å; S386-A390 WeakPolarHBondContact O-CB 3.39Å; S386-A390 PolarHBondContact O-N 3.45Å |
| 387 | K | 89.8 | Confident | 84.3 | Confident | 85 Ų | 85 | 58 Ų | 58 | 37% | 0.37 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 177.8 | -166.8 | 172 | 178.2 | 177.8 | 0 | 110.7 | D284 N383 E384 V385 Q389 A390 N391 | D284-K387 HydrophobicContact CB-CD 4.35Å; D284-K387 VanDerWaalsContact CB-NZ 3.27Å; D284-K387 IonicContact OD1-NZ 2.6Å; D284-K387 IonicContact OD2-NZ 2.98Å; D284-K387 PolarHBondContact OD2-NZ 3.45Å; N383-K387 WeakPolarHBondContact O-CB 2.37Å; N383-K387 PolarHBondContact O-N 2.95Å; E384-K387 PolarHBondContact O-N 3.36Å; V385-K387 VanDerWaalsContact C-N 3.26Å; V385-K387 PolarHBondContact O-N 2.86Å; K387-Q389 VanDerWaalsContact C-N 3.29Å; K387-Q389 PolarHBondContact O-N 2.8Å; K387-A390 PolarHBondContact O-N 3.19Å; K387-N391 PolarHBondContact O-N 3.42Å |
| 388 | L | 90 | Very high | 83.9 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 178.7 | 173.1 | 66.9 | 0 | 0 | 0 | 110.4 | S287 P289 L296 K323 F337 E384 V385 S386 A390 N391 I392 | S287-L388 VanDerWaalsContact C-CD1 3.46Å; S287-L388 WeakPolarHBondContact O-CA 3.37Å; S287-L388 WeakPolarHBondContact O-CD1 3.4Å; P289-L388 HydrophobicContact CB-CD1 4.39Å; L296-L388 HydrophobicContact CD1-CD2 4.48Å; L296-L388 HydrophobicContact CD2-CD2 4.05Å; K323-L388 HydrophobicContact CD-CD2 4.44Å; F337-L388 HydrophobicContact CE1-CD2 3.91Å; F337-L388 HydrophobicContact CZ-CD2 3.58Å; E384-L388 WeakPolarHBondContact O-CB 3.49Å; E384-L388 PolarHBondContact O-N 3.46Å; V385-L388 WeakPolarHBondContact O-CB 3.3Å; V385-L388 PolarHBondContact O-N 3.21Å; S386-L388 VanDerWaalsContact C-N 3.26Å; S386-L388 PolarHBondContact O-N 3.43Å; L388-A390 VanDerWaalsContact C-N 3.27Å; L388-A390 PolarHBondContact O-N 3.22Å; L388-N391 PolarHBondContact O-N 3.2Å; L388-I392 HydrophobicContact CD1-CD1 4.24Å; L388-I392 HydrophobicContact CD1-CG1 4.38Å; L388-I392 HydrophobicContact CG-CD1 3.95Å; L388-I392 HydrophobicContact CG-CG1 4.47Å; L388-I392 WeakPolarHBondContact O-CG1 3.36Å; L388-I392 PolarHBondContact O-N 3.43Å |
| 389 | Q | 88.9 | Confident | 82.7 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 36% | 0.355 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.9 | 0 | 179.9 | -167.6 | 64.4 | 45.3 | 0 | 0 | 111.5 | V385 S386 K387 N391 I392 D393 | V385-Q389 PolarHBondContact O-N 3.4Å; S386-Q389 PolarHBondContact O-N 2.86Å; K387-Q389 VanDerWaalsContact C-N 3.29Å; K387-Q389 PolarHBondContact O-N 2.8Å; Q389-N391 VanDerWaalsContact C-N 3.26Å; Q389-N391 PolarHBondContact O-N 3.1Å; Q389-I392 PolarHBondContact O-N 3.38Å; Q389-D393 WeakPolarHBondContact O-CB 2.86Å; Q389-D393 PolarHBondContact O-N 3.12Å |
| 390 | A | 88.7 | Confident | 81.2 | Confident | 53 Ų | 53 | 61 Ų | 61 | 44% | 0.438 | 32% | 0.318 | S | S | . | . | H | α-helix | 0 | -38.4 | 0 | 0 | 0 | 0 | 0 | 0 | 111.1 | S386 K387 L388 I392 D393 S394 | S386-A390 WeakPolarHBondContact O-CB 3.39Å; S386-A390 PolarHBondContact O-N 3.45Å; K387-A390 PolarHBondContact O-N 3.19Å; L388-A390 VanDerWaalsContact C-N 3.27Å; L388-A390 PolarHBondContact O-N 3.22Å; A390-I392 VanDerWaalsContact C-N 3.28Å; A390-D393 PolarHBondContact O-N 3.44Å; A390-S394 WeakPolarHBondContact O-CB 3.21Å; A390-S394 PolarHBondContact O-N 3.44Å | |
| 391 | N | 87.1 | Confident | 79.5 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 20% | 0.198 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.5 | -36.8 | 180 | -75.3 | -15 | 0 | 0 | 0 | 110.9 | S287 P289 K387 L388 Q389 D393 S394 G395 Y396 | S287-N391 PolarHBondContact O-ND2 3.04Å; P289-N391 HydrophobicContact CG-CB 4.23Å; K387-N391 PolarHBondContact O-N 3.42Å; L388-N391 PolarHBondContact O-N 3.2Å; Q389-N391 VanDerWaalsContact C-N 3.26Å; Q389-N391 PolarHBondContact O-N 3.1Å; N391-D393 PolarHBondContact O-N 3.43Å; N391-S394 WeakPolarHBondContact CA-OG 3.35Å; N391-S394 PolarHBondContact O-N 3.16Å; N391-S394 PolarHBondContact O-OG 3.12Å; N391-G395 PolarHBondContact O-N 3.42Å; N391-Y396 PolarHBondContact O-N 2.54Å |
| 392 | I | 86.4 | Confident | 77.4 | Confident | 26 Ų | 26 | 57 Ų | 57 | 13% | 0.133 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.3 | -34.7 | 178.7 | -70.2 | 173.1 | 0 | 0 | 0 | 109.4 | P289 L388 Q389 A390 S394 G395 | P289-I392 HydrophobicContact CB-CG1 3.55Å; P289-I392 HydrophobicContact CG-CG1 4.36Å; L388-I392 HydrophobicContact CD1-CD1 4.24Å; L388-I392 HydrophobicContact CD1-CG1 4.38Å; L388-I392 HydrophobicContact CG-CD1 3.95Å; L388-I392 HydrophobicContact CG-CG1 4.47Å; L388-I392 WeakPolarHBondContact O-CG1 3.36Å; L388-I392 PolarHBondContact O-N 3.43Å; Q389-I392 PolarHBondContact O-N 3.38Å; A390-I392 VanDerWaalsContact C-N 3.28Å; I392-S394 PolarHBondContact O-N 3.44Å; I392-G395 PolarHBondContact O-N 3.36Å |
| 393 | D | 85.1 | Confident | 75.5 | Confident | 120 Ų | 120 | 60.9 Ų | 60.9 | 64% | 0.642 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -73.5 | -29.2 | -179.9 | -69.5 | -17.8 | 0 | 0 | 0 | 111.3 | Q389 A390 N391 G395 | Q389-D393 WeakPolarHBondContact O-CB 2.86Å; Q389-D393 PolarHBondContact O-N 3.12Å; A390-D393 PolarHBondContact O-N 3.44Å; N391-D393 PolarHBondContact O-N 3.43Å; D393-G395 PolarHBondContact O-N 3.11Å |
| 394 | S | 85 | Confident | 73.7 | Confident | 82 Ų | 82 | 59.8 Ų | 59.8 | 57% | 0.573 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -79.3 | 0 | -179.9 | 68 | 0 | 0 | 0 | 0 | 110.9 | A390 N391 I392 Y396 | A390-S394 WeakPolarHBondContact O-CB 3.21Å; A390-S394 PolarHBondContact O-N 3.44Å; N391-S394 WeakPolarHBondContact CA-OG 3.35Å; N391-S394 PolarHBondContact O-N 3.16Å; N391-S394 PolarHBondContact O-OG 3.12Å; I392-S394 PolarHBondContact O-N 3.44Å; S394-Y396 PolarHBondContact O-N 3.3Å; S394-Y396 VanDerWaalsContact OG-CB 3.28Å; S394-Y396 WeakPolarHBondContact OG-CB 3.18Å; S394-Y396 PolarHBondContact OG-N 3.1Å |
| 395 | G | 77.3 | Confident | 71.8 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 49% | 0.485 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 11.5 | 0 | 0 | 0 | 0 | 0 | 0 | 112.2 | N391 I392 D393 Y397 | N391-G395 PolarHBondContact O-N 3.42Å; I392-G395 PolarHBondContact O-N 3.36Å; D393-G395 PolarHBondContact O-N 3.11Å; G395-Y397 WeakPolarHBondContact O-CD2 3.47Å; G395-Y397 PolarHBondContact O-N 3.44Å | |
| 396 | Y | 73.8 | Confident | 70 | Confident | 109 Ų | 109 | 63.7 Ų | 63.7 | 43% | 0.427 | 36% | 0.361 | S | S | . | . | trans | -79.5 | 105.9 | -179.6 | 178.6 | -102.2 | 0 | 0 | 0 | 109.1 | P289 N391 S394 | P289-Y396 WeakPolarHBondContact CD-O 3.34Å; P289-Y396 WeakPolarHBondContact CG-O 3.07Å; N391-Y396 PolarHBondContact O-N 2.54Å; S394-Y396 PolarHBondContact O-N 3.3Å; S394-Y396 VanDerWaalsContact OG-CB 3.28Å; S394-Y396 WeakPolarHBondContact OG-CB 3.18Å; S394-Y396 PolarHBondContact OG-N 3.1Å | ||
| 397 | Y | 68.7 | Low | 67.9 | Low | 64 Ų | 64 | 65 Ų | 65 | 25% | 0.251 | 37% | 0.368 | S | S | . | . | trans | -115.8 | 139.8 | 175.3 | -73 | -89 | 0 | 0 | 0 | 110.2 | P289 G395 H399 P469 T470 | P289-Y397 HydrophobicContact CB-CD1 3.93Å; P289-Y397 HydrophobicContact CB-CE1 4.06Å; P289-Y397 HydrophobicContact CG-CD1 4.2Å; P289-Y397 HydrophobicContact CG-CG 4.45Å; G395-Y397 WeakPolarHBondContact O-CD2 3.47Å; G395-Y397 PolarHBondContact O-N 3.44Å; Y397-H399 PolarHBondContact O-N 3.43Å; Y397-H399 VanDerWaalsContact O-N 3.14Å; Y397-P469 CarbonylContact C-O 3.19Å; Y397-P469 WeakPolarHBondContact CA-O 3.49Å; Y397-P469 VanDerWaalsContact CB-CD 3.42Å; Y397-P469 CovalentContact CB-O 0.9Å; Y397-P469 WeakPolarHBondContact CB-O 3.3Å; Y397-P469 WeakPolarHBondContact CD1-O 3.21Å; Y397-P469 WeakPolarHBondContact CD2-O 3.14Å; Y397-P469 PolarHBondContact N-O 3.08Å; Y397-T470 CovalentContact C-CB 0.9Å; Y397-T470 CarbonylContact C-O 3.41Å; Y397-T470 WeakPolarHBondContact CA-O 3.17Å; Y397-T470 WeakPolarHBondContact CA-OG1 3.31Å; Y397-T470 WeakPolarHBondContact CB-O 3.28Å; Y397-T470 CovalentContact CB-OG1 1.07Å; Y397-T470 WeakPolarHBondContact CB-OG1 3.48Å; Y397-T470 VanDerWaalsContact CD1-O 3.29Å; Y397-T470 WeakPolarHBondContact CD1-O 3.34Å; Y397-T470 WeakPolarHBondContact CD2-OG1 1.82Å; Y397-T470 VanDerWaalsContact CG-CB 3.42Å; Y397-T470 PolarHBondContact N-OG1 2.37Å; Y397-T470 CarbonylContact O-C 3.54Å; Y397-T470 WeakPolarHBondContact O-CA 3.49Å; Y397-T470 WeakPolarHBondContact O-CB 3.2Å; Y397-T470 CovalentContact O-CG2 1.26Å; Y397-T470 WeakPolarHBondContact O-CG2 3.4Å; Y397-T470 PolarHBondContact O-OG1 3.29Å | ||
| 398 | T | 63.4 | Low | 65.5 | Low | 4 Ų | 4 | 65.9 Ų | 65.9 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | trans | -68 | 0 | 173.8 | 60.8 | 0 | 0 | 0 | 0 | 111.7 | K288 P289 S400 P469 T470 G471 G472 | K288-T398 HydrophobicContact CB-CG2 3.41Å; K288-T398 VanDerWaalsContact CB-CG2 3.41Å; K288-T398 HydrophobicContact CD-CG2 3.44Å; K288-T398 VanDerWaalsContact CD-CG2 3.44Å; K288-T398 HydrophobicContact CG-CG2 3.96Å; P289-T398 PolarHBondContact O-OG1 3.29Å; P289-T398 VanDerWaalsContact O-OG1 3.09Å; T398-S400 VanDerWaalsContact C-N 3.32Å; T398-S400 PolarHBondContact O-N 3.45Å; T398-P469 CarbonylContact O-C 3.32Å; T398-T470 WeakPolarHBondContact CA-O 3.33Å; T398-T470 VanDerWaalsContact CG2-C 3.41Å; T398-T470 CovalentContact N-C 1.49Å; T398-T470 CovalentContact N-CA 1.8Å; T398-T470 VanDerWaalsContact N-N 3.2Å; T398-T470 PolarHBondContact N-O 3.12Å; T398-T470 PolarHBondContact N-OG1 3.3Å; T398-T470 CarbonylContact O-C 3.59Å; T398-T470 WeakPolarHBondContact O-CA 3.22Å; T398-T470 WeakPolarHBondContact O-CB 3.1Å; T398-T470 WeakPolarHBondContact O-CG2 3.49Å; T398-T470 PolarHBondContact O-N 2.77Å; T398-T470 WeakPolarHBondContact OG1-CA 3.23Å; T398-T470 PolarHBondContact OG1-O 3.48Å; T398-G471 WeakPolarHBondContact CA-O 1.25Å; T398-G471 CovalentContact CB-CA 0.65Å; T398-G471 WeakPolarHBondContact CB-O 2.14Å; T398-G471 CovalentContact CG2-C 1.02Å; T398-G471 CovalentContact CG2-O 1.4Å; T398-G471 WeakPolarHBondContact CG2-O 3.26Å; T398-G471 PolarHBondContact N-O 2.89Å; T398-G471 VanDerWaalsContact O-CA 3.23Å; T398-G471 WeakPolarHBondContact O-CA 1.93Å; T398-G471 PolarHBondContact O-N 3.02Å; T398-G471 CovalentContact OG1-CA 0.88Å; T398-G471 WeakPolarHBondContact OG1-CA 1.86Å; T398-G471 CovalentContact OG1-N 1.01Å; T398-G471 PolarHBondContact OG1-N 3.4Å; T398-G471 PolarHBondContact OG1-O 3.25Å; T398-G472 VanDerWaalsContact CB-CA 3.42Å; T398-G472 PolarHBondContact OG1-N 3.3Å | ||
| 399 | H | 55.5 | Low | 63.3 | Low | 89 Ų | 89 | 67.6 Ų | 67.6 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | 0 | 89.9 | 0 | -66.9 | -77.1 | 0 | 0 | 0 | 109.7 | Y397 S401 T468 P469 T470 | Y397-H399 PolarHBondContact O-N 3.43Å; Y397-H399 VanDerWaalsContact O-N 3.14Å; H399-S401 WeakPolarHBondContact CB-OG 3.16Å; H399-S401 PolarHBondContact O-N 3.05Å; H399-T468 PolarHBondContact CE1-O 2.96Å; H399-T468 VanDerWaalsContact CE1-O 3.29Å; H399-T468 PolarHBondContact ND1-O 3.39Å; H399-P469 HydrophobicContact CB-CB 3.72Å; H399-P469 HydrophobicContact CB-CG 4.29Å; H399-P469 WeakPolarHBondContact CD2-CG 3.21Å; H399-P469 WeakPolarHBondContact CE1-CB 3.49Å; H399-P469 WeakPolarHBondContact CE1-CD 3.33Å; H399-P469 CovalentContact CE1-CG 1.95Å; H399-P469 WeakPolarHBondContact CE1-CG 3.13Å; H399-P469 WeakPolarHBondContact ND1-CB 2.88Å; H399-P469 WeakPolarHBondContact ND1-CG 3.44Å; H399-P469 WeakPolarHBondContact NE2-CG 3.25Å; H399-T470 HydrophobicContact CB-CG2 3.74Å; H399-T470 WeakPolarHBondContact CD2-CG2 3.07Å; H399-T470 VanDerWaalsContact N-CB 3.27Å | |||
| 400 | S | 50.7 | Low | 61.4 | Low | 40 Ų | 40 | 71.1 Ų | 71.1 | 28% | 0.28 | 42% | 0.417 | S | S | . | . | trans | -49.9 | 0 | 162.6 | -62.5 | 0 | 0 | 0 | 0 | 111 | Q168 D273 T398 G402 | Q168-S400 PolarHBondContact NE2-O 2.31Å; D273-S400 WeakPolarHBondContact OD1-CB 3.33Å; D273-S400 CovalentContact OD1-OG 1.37Å; D273-S400 PolarHBondContact OD1-OG 2.81Å; D273-S400 PolarHBondContact OD2-OG 2.36Å; T398-S400 VanDerWaalsContact C-N 3.32Å; T398-S400 PolarHBondContact O-N 3.45Å; S400-G402 PolarHBondContact O-N 2.94Å | ||
| 401 | S | 46.6 | Very low | 59.6 | Low | 65 Ų | 65 | 73.5 Ų | 73.5 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | S | Bend | 0 | 0 | 0 | 41 | 0 | 0 | 0 | 0 | 111.4 | H399 E403 | H399-S401 WeakPolarHBondContact CB-OG 3.16Å; H399-S401 PolarHBondContact O-N 3.05Å; S401-E403 WeakPolarHBondContact O-CA 3.5Å; S401-E403 VanDerWaalsContact O-CB 3.27Å; S401-E403 WeakPolarHBondContact O-CB 3.48Å; S401-E403 PolarHBondContact O-N 1.06Å | |
| 402 | G | 44 | Very low | 57.6 | Low | 15 Ų | 15 | 79.2 Ų | 79.2 | 16% | 0.155 | 45% | 0.453 | C | S | . | . | S | Bend | 0 | 9.4 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | K171 S400 | K171-G402 PolarHBondContact NZ-O 1.28Å; S400-G402 PolarHBondContact O-N 2.94Å | |
| 403 | E | 44.8 | Very low | 55.5 | Low | 169 Ų | 169 | 87.7 Ų | 87.7 | 79% | 0.79 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -124.2 | 0 | -175 | -145.6 | 148.7 | 134.1 | 0 | 0 | 109.4 | S401 | S401-E403 WeakPolarHBondContact O-CA 3.5Å; S401-E403 VanDerWaalsContact O-CB 3.27Å; S401-E403 WeakPolarHBondContact O-CB 3.48Å; S401-E403 PolarHBondContact O-N 1.06Å |
| 404 | S | 49.7 | Very low | 53.3 | Low | 87 Ų | 87 | 85.3 Ų | 85.3 | 61% | 0.608 | 48% | 0.477 | S | S | * | . | S | Bend | 0 | 0 | 0 | 35.7 | 0 | 0 | 0 | 0 | 109.6 | |||
| 405 | D | 52.1 | Low | 51 | Low | 77 Ų | 77 | 87.5 Ų | 87.5 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | S | Bend | 0 | 11.2 | 0 | -80.7 | -21.5 | 0 | 0 | 0 | 109.9 | |||
| 406 | L | 53.4 | Low | 49.2 | Very low | 28 Ų | 28 | 93.2 Ų | 93.2 | 15% | 0.147 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -105.8 | 117.4 | 175.2 | -70.4 | 165.4 | 0 | 0 | 0 | 109.6 | K171 F175 I276 P408 | K171-L406 HydrophobicContact CB-CD1 3.8Å; K171-L406 HydrophobicContact CD-CD1 3.55Å; K171-L406 HydrophobicContact CG-CD1 4.19Å; F175-L406 HydrophobicContact CD1-CD2 4.08Å; F175-L406 HydrophobicContact CD2-CD1 4.02Å; F175-L406 HydrophobicContact CD2-CD2 3.29Å; F175-L406 HydrophobicContact CD2-CG 4.22Å; F175-L406 HydrophobicContact CE1-CD2 3.31Å; F175-L406 HydrophobicContact CE2-CB 3.47Å; F175-L406 VanDerWaalsContact CE2-CB 3.47Å; F175-L406 HydrophobicContact CE2-CD1 3.15Å; F175-L406 HydrophobicContact CE2-CD2 2.29Å; F175-L406 HydrophobicContact CE2-CG 3.07Å; F175-L406 HydrophobicContact CG-CD2 4.07Å; F175-L406 HydrophobicContact CZ-CB 3.35Å; F175-L406 HydrophobicContact CZ-CD1 3.96Å; F175-L406 HydrophobicContact CZ-CD2 2.3Å; F175-L406 HydrophobicContact CZ-CG 3.3Å; I276-L406 HydrophobicContact CG2-CD2 4.11Å; L406-P408 VanDerWaalsContact O-N 3.13Å |
| 407 | P | 44.2 | Very low | 47.3 | Very low | 85 Ų | 85 | 95.4 Ų | 95.4 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | trans | -36.5 | 125.1 | 176.9 | 19.1 | -22.5 | 0 | 0 | 0 | 111.8 | F175 S409 | F175-P407 HydrophobicContact CE1-CG 4.36Å; F175-P407 HydrophobicContact CZ-CG 4.3Å; P407-S409 VanDerWaalsContact C-N 3.25Å; P407-S409 PolarHBondContact O-N 2.86Å | ||
| 408 | P | 39.3 | Very low | 45.8 | Very low | 104 Ų | 104 | 102.7 Ų | 102.7 | 68% | 0.675 | 54% | 0.541 | S | S | * | . | trans | -37.4 | 96.9 | 177.6 | 2.3 | 4.6 | 0 | 0 | 0 | 111.8 | L406 D410 | L406-P408 VanDerWaalsContact O-N 3.13Å; P408-D410 VanDerWaalsContact C-N 3.27Å; P408-D410 PolarHBondContact O-N 2.66Å | ||
| 409 | S | 44.6 | Very low | 44.4 | Very low | 42 Ų | 42 | 109 Ų | 109 | 29% | 0.294 | 57% | 0.574 | S | S | . | * | trans | -26.2 | 95.7 | 161.4 | 143.9 | 0 | 0 | 0 | 0 | 111.3 | P407 D411 | P407-S409 VanDerWaalsContact C-N 3.25Å; P407-S409 PolarHBondContact O-N 2.86Å; S409-D411 WeakPolarHBondContact CB-OD2 3.07Å; S409-D411 WeakPolarHBondContact O-CA 3.45Å; S409-D411 PolarHBondContact O-N 2.96Å; S409-D411 WeakPolarHBondContact OG-CB 3.3Å; S409-D411 PolarHBondContact OG-N 3.29Å; S409-D411 PolarHBondContact OG-OD1 2.96Å; S409-D411 PolarHBondContact OG-OD2 3.05Å | ||
| 410 | D | 48.1 | Very low | 43.2 | Very low | 151 Ų | 151 | 107.7 Ų | 107.7 | 81% | 0.807 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -12.4 | 0 | 167.5 | -72.4 | -24.3 | 0 | 0 | 0 | 111.4 | P408 D412 | P408-D410 VanDerWaalsContact C-N 3.27Å; P408-D410 PolarHBondContact O-N 2.66Å; D410-D412 PolarHBondContact O-N 2.87Å |
| 411 | D | 52 | Low | 42.3 | Very low | 102 Ų | 102 | 111.5 Ų | 111.5 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | G | 310 helix | 0 | 0 | 0 | -68.8 | -35.3 | 0 | 0 | 0 | 110.1 | S409 | S409-D411 WeakPolarHBondContact CB-OD2 3.07Å; S409-D411 WeakPolarHBondContact O-CA 3.45Å; S409-D411 PolarHBondContact O-N 2.96Å; S409-D411 WeakPolarHBondContact OG-CB 3.3Å; S409-D411 PolarHBondContact OG-N 3.29Å; S409-D411 PolarHBondContact OG-OD1 2.96Å; S409-D411 PolarHBondContact OG-OD2 3.05Å | |
| 412 | D | 45.9 | Very low | 41.6 | Very low | 157 Ų | 157 | 116.2 Ų | 116.2 | 84% | 0.84 | 62% | 0.616 | S | S | * | * | G | 310 helix | 0 | 31.9 | 0 | -93.8 | -44.7 | 0 | 0 | 0 | 110.1 | D410 | D410-D412 PolarHBondContact O-N 2.87Š| |
| 413 | Y | 41.3 | Very low | 40.9 | Very low | 205 Ų | 205 | 119.5 Ų | 119.5 | 80% | 0.804 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -117.5 | 75.1 | 163.9 | -148.9 | -98.8 | 0 | 0 | 0 | 109.4 | D415 | Y413-D415 PolarHBondContact O-N 2.78Š|
| 414 | S | 38.9 | Very low | 40.4 | Very low | 69 Ų | 69 | 121.1 Ų | 121.1 | 48% | 0.483 | 63% | 0.628 | S | S | . | * | trans | 56.8 | 71.9 | 146.8 | 19.1 | 0 | 0 | 0 | 0 | 110.8 | E416 M417 | S414-E416 PolarHBondContact O-N 3.47Å; S414-M417 PolarHBondContact O-N 3.38Å | ||
| 415 | D | 36.9 | Very low | 39.4 | Very low | 129 Ų | 129 | 124 Ų | 124 | 69% | 0.69 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -19.1 | 0 | 136.1 | -133 | 2.8 | 0 | 0 | 0 | 111.7 | Y413 | Y413-D415 PolarHBondContact O-N 2.78Š|
| 416 | E | 38.2 | Very low | 38.4 | Very low | 167 Ų | 167 | 127.2 Ų | 127.2 | 78% | 0.78 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -102.6 | -128.8 | 153.2 | 0 | 0 | 109.5 | S414 | S414-E416 PolarHBondContact O-N 3.47Š| |
| 417 | M | 35.9 | Very low | 37.4 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 76% | 0.764 | 69% | 0.692 | S | S | * | * | S | Bend | 0 | 0 | 0 | -131.5 | 179.7 | 67.5 | 0 | 0 | 109.4 | S414 | S414-M417 PolarHBondContact O-N 3.38Š| |
| 418 | Y | 36.6 | Very low | 36.9 | Very low | 217 Ų | 217 | 138.1 Ų | 138.1 | 85% | 0.851 | 71% | 0.705 | S | S | * | * | S | Bend | 0 | 0 | 0 | -101.9 | -87.9 | 0 | 0 | 0 | 109.4 | |||
| 419 | L | 34.5 | Very low | 36.6 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 71% | 0.712 | 71% | 0.709 | S | S | * | * | S | Bend | 0 | 0 | 0 | -69.2 | 169.8 | 0 | 0 | 0 | 109.4 | |||
| 420 | G | 30.1 | Very low | 36.1 | Very low | 62 Ų | 62 | 146.6 Ų | 146.6 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | |||
| 421 | P | 30.8 | Very low | 35.5 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | 0 | 0 | 0 | -3.5 | 15.7 | 0 | 0 | 0 | 111.9 | |||||
| 422 | R | 31.5 | Very low | 34.8 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 62% | 0.619 | 71% | 0.711 | S | S | * | * | 0 | 0 | 0 | -122.2 | -177.3 | 174.1 | 172.4 | -0.5 | 110.2 | K448 D763 | R422-K448 HydrophobicContact CB-CD 3.34Å; R422-K448 HydrophobicContact CG-CD 4.34Å; R422-K448 WeakPolarHBondContact O-CB 0.87Å; R422-K448 WeakPolarHBondContact O-CD 3.16Å; R422-D763 IonicContact CZ-OD2 3.62Å; R422-D763 IonicContact NH1-OD2 2.38Å; R422-D763 PolarHBondContact NH1-OD2 3.26Å | |||
| 423 | R | 30.5 | Very low | 34.2 | Very low | 85 Ų | 85 | 141.5 Ų | 141.5 | 32% | 0.321 | 69% | 0.693 | S | S | . | * | 0 | 75.6 | 0 | -95.4 | -173.7 | -162.6 | -179 | -4.6 | 110.2 | K448 A449 N450 | R423-K448 HydrophobicContact CG-CB 4.25Å; R423-A449 HydrophobicContact CB-CB 4.14Å; R423-A449 HydrophobicContact CG-CB 2.62Å; R423-A449 CovalentContact NE-CB 1.11Å; R423-A449 CovalentContact NH2-C 1.6Å; R423-A449 PolarHBondContact NH2-O 2.19Å; R423-N450 PolarHBondContact NE-OD1 2.96Å; R423-N450 PolarHBondContact NH1-ND2 3.46Å; R423-N450 CovalentContact NH1-OD1 1Å; R423-N450 PolarHBondContact NH1-OD1 3.13Å; R423-N450 CovalentContact NH2-CA 1.65Å; R423-N450 CovalentContact NH2-N 1.31Å; R423-N450 PolarHBondContact NH2-OD1 3.47Å | |||
| 424 | K | 33.1 | Very low | 33.7 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 88% | 0.883 | 70% | 0.695 | S | S | * | * | trans | -160.2 | 0 | 139.4 | -95.9 | 179.7 | -177.3 | 175.5 | 0 | 109.4 | ||||
| 425 | T | 30.1 | Very low | 33.4 | Very low | 147 Ų | 147 | 143 Ų | 143 | 90% | 0.902 | 70% | 0.703 | S | S | * | * | S | Bend | 0 | 0 | 0 | 36 | 0 | 0 | 0 | 0 | 109 | |||
| 426 | L | 31.3 | Very low | 33.4 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | 0 | 0 | 0 | -170 | 65.4 | 0 | 0 | 0 | 109.2 | |||||
| 427 | I | 31.5 | Very low | 33.1 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 84% | 0.836 | 71% | 0.71 | S | S | * | * | 0 | 87.4 | 0 | -64.6 | 177 | 0 | 0 | 0 | 108.7 | |||||
| 428 | Q | 34.3 | Very low | 33.2 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 84% | 0.836 | 71% | 0.708 | S | S | * | * | trans | -141.3 | 87.7 | 135.9 | -152.4 | 157.4 | -8.1 | 0 | 0 | 109.4 | ||||
| 429 | N | 32.6 | Very low | 33 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | 49 | 0 | 117.1 | -98.6 | -5.2 | 0 | 0 | 0 | 111.5 | R431 | N429-R431 VanDerWaalsContact C-N 3.35Å; N429-R431 PolarHBondContact O-N 3.43Å | |||
| 430 | Q | 34.4 | Very low | 33.1 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 85% | 0.85 | 71% | 0.711 | S | S | * | * | S | Bend | 0 | 0 | 0 | -77.9 | -168.4 | 25.2 | 0 | 0 | 111.5 | |||
| 431 | R | 34.5 | Very low | 33.4 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | 0 | 0 | 0 | -100.6 | 179.5 | -175.4 | -157.8 | -1 | 109.4 | N429 I822 N823 D824 | N429-R431 VanDerWaalsContact C-N 3.35Å; N429-R431 PolarHBondContact O-N 3.43Å; R431-I822 WeakPolarHBondContact CG-O 2.61Å; R431-I822 PolarHBondContact NE-O 3.44Å; R431-N823 CarbonylContact C-O 3.12Å; R431-N823 WeakPolarHBondContact CA-O 3Å; R431-N823 VanDerWaalsContact CB-CA 3.44Å; R431-N823 WeakPolarHBondContact CB-O 3.08Å; R431-N823 WeakPolarHBondContact CG-O 2.96Å; R431-N823 CarbonylContact O-C 2.92Å; R431-N823 WeakPolarHBondContact O-CA 3.42Å; R431-D824 CovalentContact C-N 1.6Å; R431-D824 CarbonylContact O-C 2.38Å; R431-D824 WeakPolarHBondContact O-CA 3.5Å; R431-D824 PolarHBondContact O-N 3.28Å | |||
| 432 | S | 37 | Very low | 33.6 | Very low | 19 Ų | 19 | 142.4 Ų | 142.4 | 13% | 0.133 | 72% | 0.715 | C | S | . | * | 0 | 107.2 | 0 | 49.4 | 0 | 0 | 0 | 0 | 111.2 | N823 D824 S825 | S432-N823 VanDerWaalsContact C-CA 3.4Å; S432-N823 CovalentContact CA-CA 1.89Å; S432-N823 VanDerWaalsContact CA-N 3.26Å; S432-N823 WeakPolarHBondContact CA-ND2 3.14Å; S432-N823 WeakPolarHBondContact CA-OD1 3.44Å; S432-N823 CovalentContact CB-C 1.9Å; S432-N823 CovalentContact CB-CB 1.84Å; S432-N823 WeakPolarHBondContact CB-O 3.22Å; S432-N823 WeakPolarHBondContact CB-OD1 3.41Å; S432-N823 PolarHBondContact N-OD1 3.28Å; S432-N823 WeakPolarHBondContact OG-CA 1.61Å; S432-N823 VanDerWaalsContact OG-CB 3.24Å; S432-N823 WeakPolarHBondContact OG-CB 2.62Å; S432-N823 PolarHBondContact OG-O 2.9Å; S432-D824 WeakPolarHBondContact CA-OD2 3.5Å; S432-D824 WeakPolarHBondContact CB-OD2 3.45Å; S432-D824 VanDerWaalsContact N-CB 3.25Å; S432-D824 WeakPolarHBondContact O-CA 3.24Å; S432-D824 WeakPolarHBondContact O-CB 2.44Å; S432-D824 CovalentContact O-CG 1.07Å; S432-D824 PolarHBondContact O-N 3.47Å; S432-D824 CovalentContact OG-CA 1.28Å; S432-D824 WeakPolarHBondContact OG-CA 3.18Å; S432-D824 WeakPolarHBondContact OG-CB 3.22Å; S432-D824 CovalentContact OG-N 1.38Å; S432-D824 PolarHBondContact OG-N 3.18Å; S432-D824 PolarHBondContact OG-O 2.86Å; S432-S825 PolarHBondContact O-OG 3.35Å; S432-S825 PolarHBondContact OG-N 3.12Å | |||
| 433 | H | 34 | Very low | 33.7 | Very low | 100 Ų | 100 | 140 Ų | 140 | 46% | 0.463 | 72% | 0.718 | S | S | . | * | 86.2 | 101.9 | 105.3 | -87.2 | -74.7 | 0 | 0 | 0 | 110.1 | I822 N823 D824 | H433-I822 WeakPolarHBondContact NE2-CG2 2.95Å; H433-N823 WeakPolarHBondContact CA-ND2 2.48Å; H433-N823 VanDerWaalsContact CA-OD1 3.28Å; H433-N823 WeakPolarHBondContact CA-OD1 2.67Å; H433-N823 HydrophobicContact CB-CB 3.76Å; H433-N823 WeakPolarHBondContact CB-ND2 3.49Å; H433-N823 WeakPolarHBondContact CD2-CB 2.1Å; H433-N823 CovalentContact CD2-ND2 1.04Å; H433-N823 PolarHBondContact CD2-ND2 3.24Å; H433-N823 PolarHBondContact CD2-OD1 2.25Å; H433-N823 PolarHBondContact CE1-ND2 3.34Å; H433-N823 CovalentContact CG-ND2 1.09Å; H433-N823 VanDerWaalsContact CG-OD1 3.23Å; H433-N823 PolarHBondContact N-ND2 2.85Å; H433-N823 PolarHBondContact N-OD1 2.95Å; H433-N823 PolarHBondContact ND1-ND2 3Å; H433-N823 WeakPolarHBondContact NE2-CB 1.99Å; H433-N823 PolarHBondContact NE2-ND2 3.03Å; H433-D824 WeakPolarHBondContact CA-OD2 3.36Å; H433-D824 HydrophobicContact CB-CB 4.22Å; H433-D824 WeakPolarHBondContact CB-OD2 3.24Å; H433-D824 PolarHBondContact N-OD1 3.41Å; H433-D824 PolarHBondContact N-OD2 3.21Å | |||
| 434 | R | 31.1 | Very low | 33.9 | Very low | 228 Ų | 228 | 141.5 Ų | 141.5 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | 133.2 | 110.1 | 109.8 | -88.3 | -166.6 | 176.8 | 177 | -1 | 109.6 | |||||
| 435 | A | 33.1 | Very low | 34 | Very low | 79 Ų | 79 | 135 Ų | 135 | 65% | 0.653 | 73% | 0.733 | S | S | * | * | 99.2 | 98.1 | 97.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 436 | D | 35.5 | Very low | 34.3 | Very low | 153 Ų | 153 | 134.3 Ų | 134.3 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | 132.1 | 0 | 108.8 | -89 | -24.4 | 0 | 0 | 0 | 109.5 | |||||
| 437 | S | 33.3 | Very low | 34.6 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | 0 | 0 | 0 | -111.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 438 | P | 37 | Very low | 34.7 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 71% | 0.714 | 70% | 0.702 | S | S | * | * | 0 | 0 | 0 | 33.5 | -5.1 | 0 | 0 | 0 | 112 | |||||
| 439 | R | 33.6 | Very low | 35 | Very low | 242 Ų | 242 | 124.4 Ų | 124.4 | 91% | 0.913 | 69% | 0.685 | S | S | * | * | 0 | 99.3 | 0 | -133 | 169.4 | 176.3 | -125.4 | 0.8 | 109.4 | |||||
| 440 | S | 36 | Very low | 35.5 | Very low | 102 Ų | 102 | 122.7 Ų | 122.7 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | 111.8 | 113.8 | 103.1 | 34.2 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 441 | S | 36.7 | Very low | 35.8 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 69% | 0.692 | 67% | 0.671 | S | S | * | * | 121 | 109.7 | 93.9 | 18.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 442 | L | 34.1 | Very low | 36.1 | Very low | 152 Ų | 152 | 125.3 Ų | 125.3 | 80% | 0.796 | 68% | 0.683 | S | S | * | * | 103.2 | 109 | 103.2 | -74.9 | 155.7 | 0 | 0 | 0 | 109.7 | |||||
| 443 | T | 33.2 | Very low | 36.2 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | 75.2 | 113 | 93.2 | 50.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 444 | S | 36 | Very low | 36.5 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | 96.7 | 0 | 77.5 | 9.6 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 445 | G | 35.5 | Very low | 37.1 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 446 | N | 36 | Very low | 37.1 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | 0 | 0 | 0 | -121.4 | 5.7 | 0 | 0 | 0 | 110.3 | |||||
| 447 | T | 36.4 | Very low | 37.2 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 64% | 0.644 | 71% | 0.705 | S | S | * | * | 0 | 0 | 0 | 43 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 448 | K | 35.3 | Very low | 37.3 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 50% | 0.5 | 71% | 0.708 | S | S | . | * | 0 | 0 | 0 | -86.5 | -171.7 | -179.6 | 170.8 | 0 | 110.3 | R422 R423 | R422-K448 HydrophobicContact CB-CD 3.34Å; R422-K448 HydrophobicContact CG-CD 4.34Å; R422-K448 WeakPolarHBondContact O-CB 0.87Å; R422-K448 WeakPolarHBondContact O-CD 3.16Å; R423-K448 HydrophobicContact CG-CB 4.25Å | |||
| 449 | A | 40.1 | Very low | 37.4 | Very low | 59 Ų | 59 | 131.3 Ų | 131.3 | 49% | 0.488 | 71% | 0.709 | S | S | . | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.8 | R423 | R423-A449 HydrophobicContact CB-CB 4.14Å; R423-A449 HydrophobicContact CG-CB 2.62Å; R423-A449 CovalentContact NE-CB 1.11Å; R423-A449 CovalentContact NH2-C 1.6Å; R423-A449 PolarHBondContact NH2-O 2.19Å | |||
| 450 | N | 42.3 | Very low | 37.7 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 56% | 0.561 | 69% | 0.694 | S | S | * | * | 0 | 0 | 0 | -114.8 | -0.2 | 0 | 0 | 0 | 109.5 | R423 N767 | R423-N450 PolarHBondContact NE-OD1 2.96Å; R423-N450 PolarHBondContact NH1-ND2 3.46Å; R423-N450 CovalentContact NH1-OD1 1Å; R423-N450 PolarHBondContact NH1-OD1 3.13Å; R423-N450 CovalentContact NH2-CA 1.65Å; R423-N450 CovalentContact NH2-N 1.31Å; R423-N450 PolarHBondContact NH2-OD1 3.47Å; N450-N767 VanDerWaalsContact C-ND2 3.27Å; N450-N767 PolarHBondContact O-ND2 1.39Å; N450-N767 PolarHBondContact O-OD1 2.75Å | |||
| 451 | K | 40.2 | Very low | 38.1 | Very low | 173 Ų | 173 | 125.4 Ų | 125.4 | 75% | 0.752 | 69% | 0.69 | S | S | * | * | 0 | 135.4 | 0 | -125.4 | 174.5 | -179.2 | 170.5 | 0 | 111.5 | |||||
| 452 | R | 42.2 | Very low | 38.2 | Very low | 248 Ų | 248 | 127.2 Ų | 127.2 | 94% | 0.936 | 69% | 0.687 | S | S | * | * | -167.7 | 0 | 123.1 | -88.9 | -176.4 | 150.6 | -172.3 | 1.1 | 109.4 | |||||
| 453 | R | 39.6 | Very low | 38.4 | Very low | 185 Ų | 185 | 124.3 Ų | 124.3 | 70% | 0.698 | 68% | 0.676 | S | S | * | * | 0 | 0 | 0 | -113.4 | -177.9 | 167.4 | -156.6 | -1 | 110.6 | |||||
| 454 | R | 40.4 | Very low | 38.7 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 59% | 0.589 | 67% | 0.671 | S | S | * | * | 0 | 0 | 0 | -123.4 | 178.3 | -154 | -165.9 | 3.4 | 109.6 | |||||
| 455 | H | 42.3 | Very low | 38.9 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 61% | 0.611 | 67% | 0.665 | S | S | * | * | 0 | 0 | 0 | -71.3 | -68 | 0 | 0 | 0 | 109.3 | |||||
| 456 | T | 32.5 | Very low | 38.9 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 77% | 0.767 | 66% | 0.658 | S | S | * | * | 0 | 0 | 0 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 457 | S | 38.4 | Very low | 39.2 | Very low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 66% | 0.659 | S | S | * | * | 0 | 0 | 0 | 11.9 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 458 | S | 35.9 | Very low | 39.5 | Very low | 122 Ų | 122 | 122.2 Ų | 122.2 | 85% | 0.853 | 65% | 0.648 | S | S | * | * | 0 | 120.1 | 0 | -97.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 459 | S | 38.1 | Very low | 39.2 | Very low | 105 Ų | 105 | 117.5 Ų | 117.5 | 73% | 0.734 | 63% | 0.629 | S | S | * | * | 135.1 | 0 | 110.3 | 138.7 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 460 | S | 40.3 | Very low | 39 | Very low | 86 Ų | 86 | 114.8 Ų | 114.8 | 60% | 0.601 | 61% | 0.606 | S | S | * | * | 0 | 116.5 | 0 | -116.2 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 461 | H | 44 | Very low | 38.9 | Very low | 134 Ų | 134 | 109.8 Ų | 109.8 | 62% | 0.62 | 58% | 0.58 | S | S | * | * | 139 | 112.4 | 110.2 | -76 | -72.6 | 0 | 0 | 0 | 109.5 | |||||
| 462 | Q | 39.2 | Very low | 39 | Very low | 137 Ų | 137 | 101.6 Ų | 101.6 | 64% | 0.64 | 54% | 0.544 | S | S | * | . | 73 | 110.1 | 95.2 | -81.5 | -176.4 | 49.1 | 0 | 0 | 110.3 | |||||
| 463 | T | 38.5 | Very low | 38.9 | Very low | 91 Ų | 91 | 89.8 Ų | 89.8 | 56% | 0.558 | 50% | 0.5 | S | S | * | . | 104.5 | 110.4 | 99.8 | 41.3 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 464 | T | 39.6 | Very low | 38.8 | Very low | 97 Ų | 97 | 82.4 Ų | 82.4 | 60% | 0.595 | 48% | 0.476 | S | S | * | . | 120.8 | 100.4 | 100.3 | 55 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 465 | T | 39.4 | Very low | 38.7 | Very low | 112 Ų | 112 | 76 Ų | 76 | 69% | 0.687 | 46% | 0.456 | S | S | * | . | 138.1 | 96.6 | 111.2 | 51.8 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 466 | S | 36.9 | Very low | 38.6 | Very low | 79 Ų | 79 | 78.9 Ų | 78.9 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | 83.7 | 95.5 | 104.7 | 14.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 467 | D | 40.9 | Very low | 39.1 | Very low | 132 Ų | 132 | 80 Ų | 80 | 71% | 0.706 | 46% | 0.463 | S | S | * | . | 121 | 0 | 98.6 | -81.2 | -20.2 | 0 | 0 | 0 | 109.4 | K291 | K291-D467 PolarHBondContact NZ-O 3.04Š| |||
| 468 | T | 43 | Very low | 39.4 | Very low | 69 Ų | 69 | 79.8 Ų | 79.8 | 42% | 0.423 | 47% | 0.468 | S | S | . | . | 0 | 164.3 | 0 | -19.6 | 0 | 0 | 0 | 0 | 111.1 | K291 H399 | K291-T468 HydrophobicContact CB-CG2 2.67Å; K291-T468 CovalentContact CD-CG2 1.03Å; K291-T468 HydrophobicContact CD-CG2 1.03Å; K291-T468 WeakPolarHBondContact CD-OG1 1.87Å; K291-T468 WeakPolarHBondContact CE-OG1 3.49Å; K291-T468 HydrophobicContact CG-CG2 2.07Å; K291-T468 CovalentContact NZ-CA 1.6Å; K291-T468 CovalentContact NZ-N 1.74Å; K291-T468 PolarHBondContact NZ-OG1 3.25Å; H399-T468 PolarHBondContact CE1-O 2.96Å; H399-T468 VanDerWaalsContact CE1-O 3.29Å; H399-T468 PolarHBondContact ND1-O 3.39Å | |||
| 469 | P | 30.4 | Very low | 39.8 | Very low | 15 Ų | 15 | 80.1 Ų | 80.1 | 10% | 0.097 | 47% | 0.47 | C | S | . | . | -169.4 | 131 | 83.2 | 34.8 | -6.6 | 0 | 0 | 0 | 111.9 | Y397 T398 H399 | Y397-P469 CarbonylContact C-O 3.19Å; Y397-P469 WeakPolarHBondContact CA-O 3.49Å; Y397-P469 VanDerWaalsContact CB-CD 3.42Å; Y397-P469 CovalentContact CB-O 0.9Å; Y397-P469 WeakPolarHBondContact CB-O 3.3Å; Y397-P469 WeakPolarHBondContact CD1-O 3.21Å; Y397-P469 WeakPolarHBondContact CD2-O 3.14Å; Y397-P469 PolarHBondContact N-O 3.08Å; T398-P469 CarbonylContact O-C 3.32Å; H399-P469 HydrophobicContact CB-CB 3.72Å; H399-P469 HydrophobicContact CB-CG 4.29Å; H399-P469 WeakPolarHBondContact CD2-CG 3.21Å; H399-P469 WeakPolarHBondContact CE1-CB 3.49Å; H399-P469 WeakPolarHBondContact CE1-CD 3.33Å; H399-P469 CovalentContact CE1-CG 1.95Å; H399-P469 WeakPolarHBondContact CE1-CG 3.13Å; H399-P469 WeakPolarHBondContact ND1-CB 2.88Å; H399-P469 WeakPolarHBondContact ND1-CG 3.44Å; H399-P469 WeakPolarHBondContact NE2-CG 3.25Å | |||
| 470 | T | 36 | Very low | 39.8 | Very low | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.012 | 47% | 0.468 | C | S | . | . | 149.6 | 0 | 123.6 | 6.8 | 0 | 0 | 0 | 0 | 109.9 | P289 Y397 T398 H399 | P289-T470 VanDerWaalsContact C-C 3.49Å; P289-T470 CarbonylContact C-O 3.53Å; P289-T470 WeakPolarHBondContact CA-O 3.32Å; P289-T470 WeakPolarHBondContact CB-O 3.44Å; P289-T470 WeakPolarHBondContact CG-O 3.07Å; P289-T470 CarbonylContact O-C 2.82Å; Y397-T470 CovalentContact C-CB 0.9Å; Y397-T470 CarbonylContact C-O 3.41Å; Y397-T470 WeakPolarHBondContact CA-O 3.17Å; Y397-T470 WeakPolarHBondContact CA-OG1 3.31Å; Y397-T470 WeakPolarHBondContact CB-O 3.28Å; Y397-T470 CovalentContact CB-OG1 1.07Å; Y397-T470 WeakPolarHBondContact CB-OG1 3.48Å; Y397-T470 VanDerWaalsContact CD1-O 3.29Å; Y397-T470 WeakPolarHBondContact CD1-O 3.34Å; Y397-T470 WeakPolarHBondContact CD2-OG1 1.82Å; Y397-T470 VanDerWaalsContact CG-CB 3.42Å; Y397-T470 PolarHBondContact N-OG1 2.37Å; Y397-T470 CarbonylContact O-C 3.54Å; Y397-T470 WeakPolarHBondContact O-CA 3.49Å; Y397-T470 WeakPolarHBondContact O-CB 3.2Å; Y397-T470 CovalentContact O-CG2 1.26Å; Y397-T470 WeakPolarHBondContact O-CG2 3.4Å; Y397-T470 PolarHBondContact O-OG1 3.29Å; T398-T470 WeakPolarHBondContact CA-O 3.33Å; T398-T470 VanDerWaalsContact CG2-C 3.41Å; T398-T470 CovalentContact N-C 1.49Å; T398-T470 CovalentContact N-CA 1.8Å; T398-T470 VanDerWaalsContact N-N 3.2Å; T398-T470 PolarHBondContact N-O 3.12Å; T398-T470 PolarHBondContact N-OG1 3.3Å; T398-T470 CarbonylContact O-C 3.59Å; T398-T470 WeakPolarHBondContact O-CA 3.22Å; T398-T470 WeakPolarHBondContact O-CB 3.1Å; T398-T470 WeakPolarHBondContact O-CG2 3.49Å; T398-T470 PolarHBondContact O-N 2.77Å; T398-T470 WeakPolarHBondContact OG1-CA 3.23Å; T398-T470 PolarHBondContact OG1-O 3.48Å; H399-T470 HydrophobicContact CB-CG2 3.74Å; H399-T470 WeakPolarHBondContact CD2-CG2 3.07Å; H399-T470 VanDerWaalsContact N-CB 3.27Å | |||
| 471 | G | 39.9 | Very low | 39.6 | Very low | 1 Ų | 1 | 81.2 Ų | 81.2 | 1% | 0.01 | 47% | 0.474 | C | S | . | . | 0 | 108.2 | 0 | 0 | 0 | 0 | 0 | 0 | 109.6 | N277 K288 P289 T398 | N277-G471 PolarHBondContact ND2-O 3.1Å; K288-G471 CarbonylContact C-O 2.78Å; K288-G471 VanDerWaalsContact CA-O 3.25Å; K288-G471 WeakPolarHBondContact CA-O 3.37Å; K288-G471 WeakPolarHBondContact CB-O 3.3Å; K288-G471 WeakPolarHBondContact CD-O 3.15Å; K288-G471 WeakPolarHBondContact CG-O 3.32Å; P289-G471 CarbonylContact O-C 3.13Å; P289-G471 VanDerWaalsContact O-C 3.29Å; P289-G471 WeakPolarHBondContact O-CA 3.37Å; P289-G471 PolarHBondContact O-N 2.84Å; T398-G471 WeakPolarHBondContact CA-O 1.25Å; T398-G471 CovalentContact CB-CA 0.65Å; T398-G471 WeakPolarHBondContact CB-O 2.14Å; T398-G471 CovalentContact CG2-C 1.02Å; T398-G471 CovalentContact CG2-O 1.4Å; T398-G471 WeakPolarHBondContact CG2-O 3.26Å; T398-G471 PolarHBondContact N-O 2.89Å; T398-G471 VanDerWaalsContact O-CA 3.23Å; T398-G471 WeakPolarHBondContact O-CA 1.93Å; T398-G471 PolarHBondContact O-N 3.02Å; T398-G471 CovalentContact OG1-CA 0.88Å; T398-G471 WeakPolarHBondContact OG1-CA 1.86Å; T398-G471 CovalentContact OG1-N 1.01Å; T398-G471 PolarHBondContact OG1-N 3.4Å; T398-G471 PolarHBondContact OG1-O 3.25Å | |||
| 472 | G | 41.7 | Very low | 39.4 | Very low | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 49% | 0.486 | C | S | . | . | 122 | 0 | 102.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N277 W285 K288 T398 | N277-G472 VanDerWaalsContact CB-O 3.3Å; N277-G472 WeakPolarHBondContact CB-O 3.28Å; N277-G472 CovalentContact CG-CA 1.62Å; N277-G472 WeakPolarHBondContact ND2-CA 1.4Å; N277-G472 CovalentContact ND2-N 1.39Å; N277-G472 PolarHBondContact ND2-N 3.34Å; N277-G472 PolarHBondContact ND2-O 3.15Å; N277-G472 CovalentContact OD1-CA 1.25Å; N277-G472 WeakPolarHBondContact OD1-CA 3.49Å; N277-G472 PolarHBondContact OD1-N 3.48Å; N277-G472 PolarHBondContact OD1-O 3.36Å; W285-G472 CarbonylContact O-C 3.43Å; K288-G472 VanDerWaalsContact CA-O 3.3Å; K288-G472 WeakPolarHBondContact CA-O 2.9Å; K288-G472 WeakPolarHBondContact CB-O 3.06Å; K288-G472 CovalentContact CD-O 1.82Å; K288-G472 WeakPolarHBondContact CD-O 3.15Å; K288-G472 WeakPolarHBondContact CE-O 2.44Å; K288-G472 WeakPolarHBondContact CG-O 3.46Å; T398-G472 VanDerWaalsContact CB-CA 3.42Å; T398-G472 PolarHBondContact OG1-N 3.3Å | |||
| 473 | S | 40.1 | Very low | 39.1 | Very low | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 48% | 0.478 | C | S | . | . | 0 | -176.9 | 0 | -78.8 | 0 | 0 | 0 | 0 | 111.2 | I276 N277 A278 K279 R281 W285 K288 | I276-S473 VanDerWaalsContact C-OG 3.27Å; I276-S473 WeakPolarHBondContact O-CB 3.38Å; I276-S473 PolarHBondContact O-OG 2.94Å; I276-S473 VanDerWaalsContact O-OG 3.09Å; N277-S473 CovalentContact C-CB 1.35Å; N277-S473 CovalentContact C-OG 0.46Å; N277-S473 WeakPolarHBondContact CA-OG 3.23Å; N277-S473 CovalentContact CB-N 1.34Å; N277-S473 WeakPolarHBondContact CB-OG 3.35Å; N277-S473 VanDerWaalsContact CG-CA 3.43Å; N277-S473 PolarHBondContact N-OG 1.01Å; N277-S473 PolarHBondContact ND2-N 2.24Å; N277-S473 CarbonylContact O-C 2.63Å; N277-S473 WeakPolarHBondContact O-CA 3.33Å; N277-S473 CovalentContact O-CB 0.87Å; N277-S473 WeakPolarHBondContact O-CB 1.26Å; N277-S473 PolarHBondContact O-N 2.44Å; N277-S473 CovalentContact O-OG 1.06Å; N277-S473 PolarHBondContact O-OG 3.3Å; N277-S473 PolarHBondContact OD1-N 2.05Å; A278-S473 VanDerWaalsContact CA-CB 3.49Å; A278-S473 WeakPolarHBondContact CA-OG 2.98Å; A278-S473 PolarHBondContact N-OG 2.76Å; A278-S473 PolarHBondContact O-OG 2.95Å; K279-S473 PolarHBondContact N-OG 3.26Å; R281-S473 VanDerWaalsContact CB-CB 3.47Å; R281-S473 WeakPolarHBondContact CB-O 3.14Å; R281-S473 WeakPolarHBondContact CD-O 1.52Å; R281-S473 WeakPolarHBondContact CG-O 2.98Å; R281-S473 VanDerWaalsContact N-CB 3.34Å; R281-S473 PolarHBondContact NE-O 3.14Å; R281-S473 PolarHBondContact NH1-O 3.06Å; W285-S473 WeakPolarHBondContact CB-OG 1.92Å; W285-S473 WeakPolarHBondContact O-CA 3.22Å; W285-S473 PolarHBondContact O-N 2.49Å; K288-S473 WeakPolarHBondContact CD-O 2.86Å; K288-S473 WeakPolarHBondContact CE-O 0.88Å; K288-S473 PolarHBondContact NZ-O 3.05Å | |||
| 474 | P | 38.3 | Very low | 38.9 | Very low | 30 Ų | 30 | 78.5 Ų | 78.5 | 20% | 0.195 | 48% | 0.481 | C | S | . | . | -149.4 | 158.8 | 51 | 31.8 | -3.8 | 0 | 0 | 0 | 111.1 | A280 R281 V282 T283 | A280-P474 VanDerWaalsContact C-CA 3.47Å; A280-P474 VanDerWaalsContact C-CB 3.44Å; A280-P474 WeakPolarHBondContact O-CB 3.45Å; R281-P474 CarbonylContact C-O 3.19Å; R281-P474 WeakPolarHBondContact CA-O 2.97Å; R281-P474 HydrophobicContact CB-CB 1.63Å; R281-P474 HydrophobicContact CB-CG 2.5Å; R281-P474 CovalentContact CB-N 1.45Å; R281-P474 WeakPolarHBondContact CB-O 2.76Å; R281-P474 CovalentContact CD-CD 1.46Å; R281-P474 CovalentContact CD-CG 1.33Å; R281-P474 CovalentContact CG-CA 1.56Å; R281-P474 CovalentContact CG-CB 0.91Å; R281-P474 HydrophobicContact CG-CB 0.91Å; R281-P474 HydrophobicContact CG-CG 1.66Å; R281-P474 VanDerWaalsContact CZ-CD 3.42Å; R281-P474 VanDerWaalsContact NH1-CD 3.35Å; R281-P474 CarbonylContact O-C 3.41Å; R281-P474 WeakPolarHBondContact O-CA 3.39Å; V282-P474 CarbonylContact C-O 3.39Å; V282-P474 VanDerWaalsContact CA-C 3.45Å; V282-P474 VanDerWaalsContact N-CA 3.35Å; V282-P474 PolarHBondContact N-O 3.18Å; T283-P474 CarbonylContact C-O 3.12Å; T283-P474 WeakPolarHBondContact CA-O 3.41Å; T283-P474 PolarHBondContact N-O 2.92Å; T283-P474 CarbonylContact O-C 2.43Å | |||
| 475 | A | 38 | Very low | 38.8 | Very low | 22 Ų | 22 | 77.1 Ų | 77.1 | 18% | 0.182 | 49% | 0.486 | C | S | . | . | 120.5 | 0 | 94.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | R281 V282 T283 | R281-A475 CovalentContact C-N 1.35Å; R281-A475 HydrophobicContact CB-CB 3.87Å; R281-A475 HydrophobicContact CG-CB 4.33Å; R281-A475 PolarHBondContact O-N 2.69Å; V282-A475 CarbonylContact C-O 3.46Å; V282-A475 WeakPolarHBondContact CA-O 3.45Å; V282-A475 CovalentContact CB-C 1.73Å; V282-A475 HydrophobicContact CB-CB 4.22Å; V282-A475 VanDerWaalsContact CB-N 3.32Å; V282-A475 WeakPolarHBondContact CB-O 3.27Å; V282-A475 WeakPolarHBondContact CG1-O 3.49Å; V282-A475 HydrophobicContact CG2-CB 4.29Å; V282-A475 WeakPolarHBondContact CG2-O 3.18Å; V282-A475 CovalentContact N-N 1.02Å; V282-A475 PolarHBondContact N-O 1.37Å; T283-A475 WeakPolarHBondContact CG2-O 2.64Å; T283-A475 PolarHBondContact N-O 2.76Å | |||
| 476 | R | 39.7 | Very low | 38.7 | Very low | 193 Ų | 193 | 80.3 Ų | 80.3 | 73% | 0.728 | 49% | 0.49 | S | S | * | . | 0 | 0 | 0 | -86.7 | -177.8 | 118.9 | -177.6 | -0.7 | 108.5 | V282 | V282-R476 HydrophobicContact CB-CB 4.44Å; V282-R476 VanDerWaalsContact CG2-C 3.46Å; V282-R476 HydrophobicContact CG2-CB 3.83Å; V282-R476 HydrophobicContact CG2-CG 4.23Å; V282-R476 CovalentContact CG2-N 1.54Å | |||
| 477 | D | 43.1 | Very low | 38.8 | Very low | 147 Ų | 147 | 83 Ų | 83 | 79% | 0.786 | 49% | 0.494 | S | S | * | . | 0 | 0 | 0 | -89.7 | -21.2 | 0 | 0 | 0 | 109.2 | |||||
| 478 | A | 43.9 | Very low | 38.5 | Very low | 102 Ų | 102 | 83.2 Ų | 83.2 | 84% | 0.843 | 49% | 0.489 | S | S | * | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 479 | S | 43.9 | Very low | 38.2 | Very low | 129 Ų | 129 | 89.4 Ų | 89.4 | 90% | 0.902 | 50% | 0.504 | S | S | * | . | 0 | 0 | 0 | -92 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 480 | P | 39.5 | Very low | 38.3 | Very low | 107 Ų | 107 | 94 Ų | 94 | 70% | 0.695 | 53% | 0.532 | S | S | * | . | 0 | 0 | 0 | 33.9 | -4.7 | 0 | 0 | 0 | 112.1 | |||||
| 481 | C | 36.2 | Very low | 38.3 | Very low | 106 Ų | 106 | 102.9 Ų | 102.9 | 72% | 0.716 | 57% | 0.573 | S | S | * | * | 0 | 0 | 0 | -15.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 482 | T | 38.4 | Very low | 38.1 | Very low | 144 Ų | 144 | 106.2 Ų | 106.2 | 88% | 0.883 | 61% | 0.608 | S | S | * | * | 0 | 0 | 0 | 39.9 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 483 | H | 32.9 | Very low | 37.7 | Very low | 102 Ų | 102 | 113.9 Ų | 113.9 | 47% | 0.472 | 65% | 0.648 | S | S | . | * | 0 | 0 | 0 | -95.7 | -54 | 0 | 0 | 0 | 112.8 | A547 G548 S549 F550 | H483-A547 CarbonylContact O-C 3.52Å; H483-G548 CarbonylContact C-O 3.09Å; H483-G548 WeakPolarHBondContact CA-O 3.25Å; H483-G548 CovalentContact CB-C 1.94Å; H483-G548 WeakPolarHBondContact CB-O 2.43Å; H483-G548 VanDerWaalsContact CG-N 3.31Å; H483-G548 VanDerWaalsContact CG-O 3.22Å; H483-G548 PolarHBondContact N-O 3.05Å; H483-G548 WeakPolarHBondContact ND1-CA 3.37Å; H483-G548 PolarHBondContact ND1-O 2.35Å; H483-G548 VanDerWaalsContact ND1-O 3.08Å; H483-G548 CarbonylContact O-C 3.59Å; H483-G548 PolarHBondContact O-N 3.4Å; H483-S549 WeakPolarHBondContact CD2-CA 2.6Å; H483-S549 PolarHBondContact CD2-N 2.97Å; H483-S549 WeakPolarHBondContact CE1-CA 3.44Å; H483-S549 WeakPolarHBondContact CE1-CB 3.4Å; H483-S549 PolarHBondContact CE1-N 2.97Å; H483-S549 PolarHBondContact CE1-OG 3.18Å; H483-S549 CovalentContact ND1-CA 1.32Å; H483-S549 WeakPolarHBondContact ND1-CA 3.47Å; H483-S549 WeakPolarHBondContact ND1-CB 3.39Å; H483-S549 CovalentContact ND1-N 0.95Å; H483-S549 PolarHBondContact ND1-N 3.49Å; H483-S549 PolarHBondContact ND1-O 3.43Å; H483-S549 PolarHBondContact ND1-OG 2.31Å; H483-S549 WeakPolarHBondContact NE2-CA 3.45Å; H483-S549 PolarHBondContact NE2-N 3.48Å; H483-F550 PolarHBondContact CE1-N 3.42Å | |||
| 484 | G | 34.3 | Very low | 37.3 | Very low | 59 Ų | 59 | 120.5 Ų | 120.5 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 112.6 | G548 | G484-G548 CarbonylContact C-O 3.57Å; G484-G548 WeakPolarHBondContact CA-O 3.27Å; G484-G548 CovalentContact N-O 1.61Å; G484-G548 PolarHBondContact N-O 2.73Å; G484-G548 CarbonylContact O-C 2.85Å; G484-G548 WeakPolarHBondContact O-CA 3.41Å | |||
| 485 | G | 37.6 | Very low | 37 | Very low | 68 Ų | 68 | 125.7 Ų | 125.7 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | 0 | 140.9 | 0 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 486 | K | 38.4 | Very low | 36.7 | Very low | 180 Ų | 180 | 131.2 Ų | 131.2 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | 109.1 | 0 | 85.6 | -75.5 | -175.2 | -176.6 | 179.3 | 0 | 109.8 | |||||
| 487 | H | 37.8 | Very low | 36.4 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 63% | 0.625 | 73% | 0.734 | S | S | * | * | 0 | 0 | 0 | -87.1 | -78.8 | 0 | 0 | 0 | 109.6 | |||||
| 488 | F | 34.4 | Very low | 35.9 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 60% | 0.601 | 73% | 0.733 | S | S | * | * | 0 | 0 | 0 | -104.7 | -83.7 | 0 | 0 | 0 | 109.3 | |||||
| 489 | R | 36.8 | Very low | 35.5 | Very low | 199 Ų | 199 | 128.9 Ų | 128.9 | 75% | 0.751 | 73% | 0.729 | S | S | * | * | 0 | 0 | 0 | -87.3 | -168.8 | 177.9 | -167.7 | 0.1 | 109.7 | |||||
| 490 | T | 34.1 | Very low | 34.9 | Very low | 112 Ų | 112 | 130 Ų | 130 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | 0 | 0 | 0 | 30.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 491 | H | 36.4 | Very low | 35.1 | Very low | 187 Ų | 187 | 129.1 Ų | 129.1 | 87% | 0.866 | 72% | 0.719 | S | S | * | * | 0 | 0 | 0 | -96.6 | -85.5 | 0 | 0 | 0 | 109.5 | |||||
| 492 | G | 34.2 | Very low | 35 | Very low | 72 Ų | 72 | 130.1 Ų | 130.1 | 74% | 0.742 | 72% | 0.723 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 493 | L | 33.6 | Very low | 34.7 | Very low | 161 Ų | 161 | 129.9 Ų | 129.9 | 84% | 0.843 | 72% | 0.716 | S | S | * | * | 0 | 0 | 0 | -73.9 | 174 | 0 | 0 | 0 | 109.6 | |||||
| 494 | L | 32 | Very low | 34.9 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 73% | 0.728 | 73% | 0.73 | S | S | * | * | 0 | 0 | 0 | -75.4 | 174.1 | 0 | 0 | 0 | 109.7 | |||||
| 495 | L | 31.5 | Very low | 34.7 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | 0 | 0 | 0 | -116.8 | 88.4 | 0 | 0 | 0 | 109.5 | |||||
| 496 | N | 31.9 | Very low | 34.6 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | 0 | 0 | 0 | -109.2 | 30.6 | 0 | 0 | 0 | 110.5 | |||||
| 497 | S | 33.3 | Very low | 34.2 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | 0 | 0 | 0 | -42.1 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 498 | H | 32.9 | Very low | 34.1 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | 0 | 0 | 0 | -106.9 | -76 | 0 | 0 | 0 | 110 | |||||
| 499 | T | 35.9 | Very low | 34.2 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | 0 | 0 | 0 | 53.5 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 500 | D | 31.2 | Very low | 33.8 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | 0 | 0 | 0 | -104.4 | -24.5 | 0 | 0 | 0 | 111 | |||||
| 501 | P | 42.6 | Very low | 33.7 | Very low | 89 Ų | 89 | 144.7 Ų | 144.7 | 58% | 0.578 | 78% | 0.776 | S | S | * | * | 0 | 0 | 0 | 34.3 | -5.6 | 0 | 0 | 0 | 112 | |||||
| 502 | T | 34.7 | Very low | 33.7 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | 0 | 125.3 | 0 | 37.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 503 | D | 32.2 | Very low | 33.6 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | 94 | 120.8 | 100.4 | -123.5 | -13.7 | 0 | 0 | 0 | 109.8 | |||||
| 504 | K | 37.9 | Very low | 34 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | 135.4 | 111.2 | 116.1 | -74.7 | -172.9 | -177.9 | 178.4 | 0 | 109.6 | |||||
| 505 | R | 29.2 | Very low | 34.3 | Very low | 227 Ų | 227 | 142.7 Ų | 142.7 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | 78.1 | 115.3 | 103.9 | -95.4 | -173.4 | -165.5 | -138.7 | 0.4 | 110.3 | |||||
| 506 | L | 35.6 | Very low | 34.8 | Very low | 168 Ų | 168 | 141 Ų | 141 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | 155.7 | 105.4 | 120.7 | -80.1 | 162 | 0 | 0 | 0 | 109 | |||||
| 507 | A | 29.1 | Very low | 35.2 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | 12.8 | 121.3 | 111.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 508 | S | 35.7 | Very low | 35.4 | Very low | 96 Ų | 96 | 142.5 Ų | 142.5 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | 171 | 114.5 | 126.4 | -144 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 509 | N | 36.5 | Very low | 36.2 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | 116 | 103.4 | 90.6 | -86.2 | -10.6 | 0 | 0 | 0 | 110 | |||||
| 510 | R | 29.7 | Very low | 36.8 | Very low | 218 Ų | 218 | 135.4 Ų | 135.4 | 82% | 0.823 | 75% | 0.749 | S | S | * | * | 35.8 | 119.2 | 100.6 | -97.2 | -171.1 | -159.4 | -130.5 | 0.1 | 111.2 | |||||
| 511 | L | 32.1 | Very low | 37.7 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | -120.2 | 124.3 | 122.6 | -67.4 | 174.3 | 0 | 0 | 0 | 109.8 | |||||
| 512 | P | 34.7 | Very low | 38.6 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | trans | -87.9 | 0 | 177.2 | 26.6 | -0.8 | 0 | 0 | 0 | 111.5 | ||||
| 513 | M | 33.9 | Very low | 39.4 | Very low | 177 Ų | 177 | 126.7 Ų | 126.7 | 87% | 0.872 | 71% | 0.713 | S | S | * | * | 0 | 130.8 | 0 | -78.9 | -75.8 | -89.6 | 0 | 0 | 111.2 | |||||
| 514 | P | 41.2 | Very low | 40.7 | Very low | 100 Ų | 100 | 123.4 Ų | 123.4 | 65% | 0.649 | 71% | 0.705 | S | S | * | * | trans | -54.2 | 115.2 | -175 | 19 | -3.5 | 0 | 0 | 0 | 111.7 | V516 | P514-V516 PolarHBondContact O-N 3.26Š| ||
| 515 | V | 39.3 | Very low | 41.6 | Very low | 135 Ų | 135 | 117.9 Ų | 117.9 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | trans | -25.7 | 0 | 155 | 173.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 516 | V | 40.8 | Very low | 43.1 | Very low | 102 Ų | 102 | 112.9 Ų | 112.9 | 62% | 0.618 | 68% | 0.681 | S | S | * | * | 0 | 104.8 | 0 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | P514 T520 | P514-V516 PolarHBondContact O-N 3.26Å; V516-T520 WeakPolarHBondContact CG1-OG1 1.95Å | |||
| 517 | Q | 39.8 | Very low | 44.5 | Very low | 146 Ų | 146 | 108.2 Ų | 108.2 | 68% | 0.682 | 66% | 0.662 | S | S | * | * | trans | -26.1 | 126.3 | 161.8 | -68.3 | -93.8 | -28.9 | 0 | 0 | 111.5 | G519 | Q517-G519 PolarHBondContact O-N 3.18Å; Q517-G519 VanDerWaalsContact O-N 3.1Å | ||
| 518 | P | 38.2 | Very low | 46 | Very low | 127 Ų | 127 | 105.9 Ų | 105.9 | 83% | 0.825 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | 0 | 175 | 6.8 | 7.1 | 0 | 0 | 0 | 111.7 | ||
| 519 | G | 50.2 | Low | 47.4 | Very low | 76 Ų | 76 | 107.3 Ų | 107.3 | 78% | 0.784 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | Q517 | Q517-G519 PolarHBondContact O-N 3.18Å; Q517-G519 VanDerWaalsContact O-N 3.1Å | |
| 520 | T | 48.6 | Very low | 48.5 | Very low | 64 Ų | 64 | 103.1 Ų | 103.1 | 39% | 0.393 | 63% | 0.628 | S | S | . | * | S | Bend | 0 | 133.5 | 0 | 49.1 | 0 | 0 | 0 | 0 | 109.1 | V516 G522 A523 | V516-T520 WeakPolarHBondContact CG1-OG1 1.95Å; T520-G522 PolarHBondContact O-N 3.38Å; T520-A523 PolarHBondContact O-N 2.96Å | |
| 521 | P | 50.2 | Low | 50.1 | Low | 115 Ų | 115 | 99.6 Ų | 99.6 | 75% | 0.747 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -41.7 | -14 | -179 | -2.6 | 4.2 | 0 | 0 | 0 | 111.7 | A525 | P521-A525 PolarHBondContact O-N 3.29Å |
| 522 | G | 60 | Low | 51.3 | Low | 38 Ų | 38 | 94.4 Ų | 94.4 | 39% | 0.392 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -82.4 | -28.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | T520 A525 I526 | T520-G522 PolarHBondContact O-N 3.38Å; G522-A525 PolarHBondContact O-N 3.5Å; G522-I526 WeakPolarHBondContact O-CG1 2.87Å; G522-I526 PolarHBondContact O-N 3.17Å; G522-I526 VanDerWaalsContact O-N 3.17Å |
| 523 | A | 52.6 | Low | 52.5 | Low | 34 Ų | 34 | 97.1 Ų | 97.1 | 28% | 0.281 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -81.1 | -25.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | T520 S527 | T520-A523 PolarHBondContact O-N 2.96Å; A523-S527 WeakPolarHBondContact O-CB 3.3Å; A523-S527 PolarHBondContact O-N 3.49Å; A523-S527 PolarHBondContact O-OG 3.19Å |
| 524 | A | 58.5 | Low | 53.6 | Low | 69 Ų | 69 | 91.8 Ų | 91.8 | 57% | 0.57 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -81 | -24.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | A528 | A524-A528 WeakPolarHBondContact O-CB 2.31Å; A524-A528 PolarHBondContact O-N 3.46Å |
| 525 | A | 57.2 | Low | 54.2 | Low | 59 Ų | 59 | 90 Ų | 90 | 49% | 0.488 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -81.1 | -28.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | P521 G522 L529 | P521-A525 PolarHBondContact O-N 3.29Å; G522-A525 PolarHBondContact O-N 3.5Å; A525-L529 VanDerWaalsContact O-CB 3.27Å; A525-L529 WeakPolarHBondContact O-CB 2.41Å; A525-L529 PolarHBondContact O-N 3.49Å |
| 526 | I | 60.2 | Low | 54.7 | Low | 121 Ų | 121 | 89.4 Ų | 89.4 | 62% | 0.621 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -84.5 | 0 | 179 | -66.6 | 175.7 | 0 | 0 | 0 | 109.3 | G522 L529 A530 | G522-I526 WeakPolarHBondContact O-CG1 2.87Å; G522-I526 PolarHBondContact O-N 3.17Å; G522-I526 VanDerWaalsContact O-N 3.17Å; I526-L529 PolarHBondContact O-N 3.23Å; I526-A530 WeakPolarHBondContact O-CB 3.19Å; I526-A530 PolarHBondContact O-N 3.25Å |
| 527 | S | 65.4 | Low | 55.3 | Low | 70 Ų | 70 | 87.8 Ų | 87.8 | 49% | 0.49 | 56% | 0.563 | S | S | . | * | H | α-helix | 0 | -26.6 | 0 | -77.8 | 0 | 0 | 0 | 0 | 110.7 | A523 E531 | A523-S527 WeakPolarHBondContact O-CB 3.3Å; A523-S527 PolarHBondContact O-N 3.49Å; A523-S527 PolarHBondContact O-OG 3.19Å; S527-E531 WeakPolarHBondContact O-CB 3.47Å; S527-E531 WeakPolarHBondContact O-CG 3.44Å; S527-E531 PolarHBondContact O-N 3.45Å | |
| 528 | A | 60.7 | Low | 55.9 | Low | 47 Ų | 47 | 84.8 Ų | 84.8 | 39% | 0.388 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -81.5 | 0 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | A524 E531 T532 | A524-A528 WeakPolarHBondContact O-CB 2.31Å; A524-A528 PolarHBondContact O-N 3.46Å; A528-E531 PolarHBondContact O-N 3.23Å; A528-T532 WeakPolarHBondContact O-CB 3.36Å; A528-T532 PolarHBondContact O-N 3.48Å; A528-T532 PolarHBondContact O-OG1 3.46Å |
| 529 | L | 64.9 | Low | 56.3 | Low | 127 Ų | 127 | 82.8 Ų | 82.8 | 67% | 0.665 | 56% | 0.557 | S | S | * | * | H | α-helix | 0 | -30.7 | 0 | -161.6 | 85.1 | 0 | 0 | 0 | 110.6 | A525 I526 T532 K533 | A525-L529 VanDerWaalsContact O-CB 3.27Å; A525-L529 WeakPolarHBondContact O-CB 2.41Å; A525-L529 PolarHBondContact O-N 3.49Å; I526-L529 PolarHBondContact O-N 3.23Å; L529-T532 PolarHBondContact O-N 3.3Å; L529-K533 WeakPolarHBondContact O-CB 3.45Å; L529-K533 PolarHBondContact O-N 3.06Å | |
| 530 | A | 60.9 | Low | 56.3 | Low | 59 Ų | 59 | 85.3 Ų | 85.3 | 49% | 0.488 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -78.1 | 0 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I526 A534 | I526-A530 WeakPolarHBondContact O-CB 3.19Å; I526-A530 PolarHBondContact O-N 3.25Å; A530-A534 WeakPolarHBondContact O-CB 3.32Å; A530-A534 PolarHBondContact O-N 3.48Å |
| 531 | E | 62.4 | Low | 55.6 | Low | 144 Ų | 144 | 85 Ų | 85 | 67% | 0.673 | 57% | 0.566 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -90 | 174 | -175.8 | 0 | 0 | 110.4 | S527 A528 A535 | S527-E531 WeakPolarHBondContact O-CB 3.47Å; S527-E531 WeakPolarHBondContact O-CG 3.44Å; S527-E531 PolarHBondContact O-N 3.45Å; A528-E531 PolarHBondContact O-N 3.23Å; E531-A535 WeakPolarHBondContact O-CB 3.18Å; E531-A535 PolarHBondContact O-N 3.06Å | |
| 532 | T | 58.1 | Low | 55 | Low | 68 Ų | 68 | 85.7 Ų | 85.7 | 42% | 0.417 | 57% | 0.574 | S | S | . | * | H | α-helix | 0 | 0 | 0 | -22.4 | 0 | 0 | 0 | 0 | 109.9 | A528 L529 A535 M536 | A528-T532 WeakPolarHBondContact O-CB 3.36Å; A528-T532 PolarHBondContact O-N 3.48Å; A528-T532 PolarHBondContact O-OG1 3.46Å; L529-T532 PolarHBondContact O-N 3.3Å; T532-A535 PolarHBondContact O-N 3.43Å; T532-M536 HydrophobicContact CG2-CE 3.96Å; T532-M536 WeakPolarHBondContact O-CB 3.34Å; T532-M536 WeakPolarHBondContact O-CG 3.33Å; T532-M536 PolarHBondContact O-N 3.06Å | |
| 533 | K | 58.5 | Low | 53.8 | Low | 162 Ų | 162 | 87.3 Ų | 87.3 | 70% | 0.704 | 59% | 0.59 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -157.5 | 174.6 | 178.3 | 179 | 0 | 111.1 | L529 M536 A537 | L529-K533 WeakPolarHBondContact O-CB 3.45Å; L529-K533 PolarHBondContact O-N 3.06Å; K533-M536 PolarHBondContact O-N 3.46Å; K533-A537 WeakPolarHBondContact O-CB 3.08Å; K533-A537 PolarHBondContact O-N 3.06Å | |
| 534 | A | 58.6 | Low | 53 | Low | 64 Ų | 64 | 97.3 Ų | 97.3 | 53% | 0.529 | 62% | 0.621 | S | S | . | * | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.2 | A530 A538 | A530-A534 WeakPolarHBondContact O-CB 3.32Å; A530-A534 PolarHBondContact O-N 3.48Å; A534-A538 VanDerWaalsContact O-CB 3.23Å; A534-A538 WeakPolarHBondContact O-CB 3.27Å; A534-A538 PolarHBondContact O-N 3.22Å; A534-A538 VanDerWaalsContact O-N 3.08Å | |
| 535 | A | 52.2 | Low | 51.7 | Low | 62 Ų | 62 | 105.2 Ų | 105.2 | 51% | 0.512 | 64% | 0.636 | S | S | . | * | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.1 | E531 T532 A539 | E531-A535 WeakPolarHBondContact O-CB 3.18Å; E531-A535 PolarHBondContact O-N 3.06Å; T532-A535 PolarHBondContact O-N 3.43Å; A535-A539 PolarHBondContact O-N 3.24Å | |
| 536 | M | 50.7 | Low | 50.6 | Low | 124 Ų | 124 | 107.7 Ų | 107.7 | 61% | 0.611 | 65% | 0.647 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -83.8 | -163.6 | -141.9 | 0 | 0 | 110.1 | T532 K533 A538 A539 V540 | T532-M536 HydrophobicContact CG2-CE 3.96Å; T532-M536 WeakPolarHBondContact O-CB 3.34Å; T532-M536 WeakPolarHBondContact O-CG 3.33Å; T532-M536 PolarHBondContact O-N 3.06Å; K533-M536 PolarHBondContact O-N 3.46Å; M536-A538 VanDerWaalsContact C-N 3.32Å; M536-A539 PolarHBondContact O-N 3.13Å; M536-V540 WeakPolarHBondContact O-CG2 3.28Å; M536-V540 PolarHBondContact O-N 3.3Å | |
| 537 | A | 53.4 | Low | 49.3 | Very low | 68 Ų | 68 | 106.2 Ų | 106.2 | 56% | 0.562 | 65% | 0.653 | S | S | * | * | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | K533 | K533-A537 WeakPolarHBondContact O-CB 3.08Å; K533-A537 PolarHBondContact O-N 3.06Å | |
| 538 | A | 52.6 | Low | 47.8 | Very low | 83 Ų | 83 | 103.7 Ų | 103.7 | 69% | 0.686 | 64% | 0.638 | S | S | * | * | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.1 | A534 M536 | A534-A538 VanDerWaalsContact O-CB 3.23Å; A534-A538 WeakPolarHBondContact O-CB 3.27Å; A534-A538 PolarHBondContact O-N 3.22Å; A534-A538 VanDerWaalsContact O-N 3.08Å; M536-A538 VanDerWaalsContact C-N 3.32Å | |
| 539 | A | 47.1 | Very low | 46.5 | Very low | 85 Ų | 85 | 104 Ų | 104 | 70% | 0.702 | 64% | 0.637 | S | S | * | * | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | A535 M536 | A535-A539 PolarHBondContact O-N 3.24Å; M536-A539 PolarHBondContact O-N 3.13Å | |
| 540 | V | 49.3 | Very low | 45 | Very low | 129 Ų | 129 | 106.6 Ų | 106.6 | 78% | 0.782 | 64% | 0.644 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -170.7 | 0 | 0 | 0 | 0 | 108.3 | M536 | M536-V540 WeakPolarHBondContact O-CG2 3.28Å; M536-V540 PolarHBondContact O-N 3.3Å | |
| 541 | G | 34.8 | Very low | 43.6 | Very low | 57 Ų | 57 | 110 Ų | 110 | 59% | 0.588 | 66% | 0.659 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 542 | S | 36.6 | Very low | 42.2 | Very low | 130 Ų | 130 | 107.3 Ų | 107.3 | 91% | 0.909 | 66% | 0.661 | S | S | * | * | 0 | 0 | 0 | -94.2 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 543 | G | 34.5 | Very low | 41 | Very low | 71 Ų | 71 | 111 Ų | 111 | 73% | 0.732 | 68% | 0.678 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 544 | R | 35.9 | Very low | 39.8 | Very low | 245 Ų | 245 | 111 Ų | 111 | 93% | 0.925 | 69% | 0.685 | S | S | * | * | 0 | 0 | 0 | -86.6 | -163.2 | -160.1 | -127.2 | 0.6 | 110.1 | |||||
| 545 | R | 30.9 | Very low | 38.6 | Very low | 235 Ų | 235 | 116.7 Ų | 116.7 | 89% | 0.887 | 71% | 0.705 | S | S | * | * | 0 | 0 | 0 | -84.4 | -168.3 | 169.7 | -157.7 | -0 | 110.3 | |||||
| 546 | P | 34.9 | Very low | 37.6 | Very low | 110 Ų | 110 | 118.5 Ų | 118.5 | 71% | 0.714 | 71% | 0.714 | S | S | * | * | 0 | 0 | 0 | 33.3 | -4.9 | 0 | 0 | 0 | 112.2 | |||||
| 547 | A | 32 | Very low | 36.8 | Very low | 91 Ų | 91 | 120 Ų | 120 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | H483 | H483-A547 CarbonylContact O-C 3.52Š| |||
| 548 | G | 34.1 | Very low | 36 | Very low | 17 Ų | 17 | 123.7 Ų | 123.7 | 18% | 0.175 | 74% | 0.74 | C | S | . | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.3 | H483 G484 | H483-G548 CarbonylContact C-O 3.09Å; H483-G548 WeakPolarHBondContact CA-O 3.25Å; H483-G548 CovalentContact CB-C 1.94Å; H483-G548 WeakPolarHBondContact CB-O 2.43Å; H483-G548 VanDerWaalsContact CG-N 3.31Å; H483-G548 VanDerWaalsContact CG-O 3.22Å; H483-G548 PolarHBondContact N-O 3.05Å; H483-G548 WeakPolarHBondContact ND1-CA 3.37Å; H483-G548 PolarHBondContact ND1-O 2.35Å; H483-G548 VanDerWaalsContact ND1-O 3.08Å; H483-G548 CarbonylContact O-C 3.59Å; H483-G548 PolarHBondContact O-N 3.4Å; G484-G548 CarbonylContact C-O 3.57Å; G484-G548 WeakPolarHBondContact CA-O 3.27Å; G484-G548 CovalentContact N-O 1.61Å; G484-G548 PolarHBondContact N-O 2.73Å; G484-G548 CarbonylContact O-C 2.85Å; G484-G548 WeakPolarHBondContact O-CA 3.41Å | |||
| 549 | S | 33.6 | Very low | 35 | Very low | 53 Ų | 53 | 130.7 Ų | 130.7 | 37% | 0.371 | 75% | 0.748 | S | S | . | * | 0 | 117.2 | 0 | -177.6 | 0 | 0 | 0 | 0 | 109 | H483 | H483-S549 WeakPolarHBondContact CD2-CA 2.6Å; H483-S549 PolarHBondContact CD2-N 2.97Å; H483-S549 WeakPolarHBondContact CE1-CA 3.44Å; H483-S549 WeakPolarHBondContact CE1-CB 3.4Å; H483-S549 PolarHBondContact CE1-N 2.97Å; H483-S549 PolarHBondContact CE1-OG 3.18Å; H483-S549 CovalentContact ND1-CA 1.32Å; H483-S549 WeakPolarHBondContact ND1-CA 3.47Å; H483-S549 WeakPolarHBondContact ND1-CB 3.39Å; H483-S549 CovalentContact ND1-N 0.95Å; H483-S549 PolarHBondContact ND1-N 3.49Å; H483-S549 PolarHBondContact ND1-O 3.43Å; H483-S549 PolarHBondContact ND1-OG 2.31Å; H483-S549 WeakPolarHBondContact NE2-CA 3.45Å; H483-S549 PolarHBondContact NE2-N 3.48Å | |||
| 550 | F | 33.5 | Very low | 34.2 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | 154.6 | 0 | 113.6 | -101.1 | -84.4 | 0 | 0 | 0 | 108.8 | H483 | H483-F550 PolarHBondContact CE1-N 3.42Š| |||
| 551 | T | 32.2 | Very low | 33.6 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | 0 | 0 | 0 | 60.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 552 | A | 32.3 | Very low | 33.3 | Very low | 87 Ų | 87 | 142.7 Ų | 142.7 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 553 | D | 33.1 | Very low | 33.2 | Very low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | 0 | 0 | 0 | -93 | -12.2 | 0 | 0 | 0 | 109.3 | |||||
| 554 | L | 33.3 | Very low | 33.2 | Very low | 163 Ų | 163 | 149.6 Ų | 149.6 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | 0 | 81.3 | 0 | -106.9 | 151.9 | 0 | 0 | 0 | 109.2 | |||||
| 555 | L | 34.3 | Very low | 33.5 | Very low | 183 Ų | 183 | 143.6 Ų | 143.6 | 96% | 0.958 | 76% | 0.755 | S | S | * | * | -142.4 | 75.5 | 119.3 | -79.6 | 159.3 | 0 | 0 | 0 | 109.4 | |||||
| 556 | S | 30.9 | Very low | 33.3 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | trans | -73.1 | 98.1 | 136.6 | -78.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 557 | L | 33.4 | Very low | 33.2 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -159.8 | 79.7 | 137.8 | -84.2 | 156.8 | 0 | 0 | 0 | 109.2 | ||||
| 558 | T | 36.9 | Very low | 33.3 | Very low | 146 Ų | 146 | 151 Ų | 151 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | trans | -158 | 0 | 131.4 | 51.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 559 | R | 31 | Very low | 33.1 | Very low | 231 Ų | 231 | 157.3 Ų | 157.3 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | 0 | 102.6 | 0 | -101.2 | -175.1 | -176.5 | -162.4 | -0.5 | 111.3 | |||||
| 560 | R | 31.6 | Very low | 33 | Very low | 206 Ų | 206 | 158.1 Ų | 158.1 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | 168.9 | 104.5 | 118.2 | -99.6 | -176.6 | -174 | 177.4 | -1.5 | 109.3 | |||||
| 561 | N | 35.2 | Very low | 32.9 | Very low | 145 Ų | 145 | 157.6 Ų | 157.6 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | 108.3 | 0 | 102.8 | -86.5 | -31.8 | 0 | 0 | 0 | 110.1 | |||||
| 562 | H | 29.4 | Very low | 32.9 | Very low | 172 Ų | 172 | 160.3 Ų | 160.3 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | 0 | 95.7 | 0 | -106.6 | -53.7 | 0 | 0 | 0 | 111.7 | |||||
| 563 | D | 34.2 | Very low | 32.9 | Very low | 156 Ų | 156 | 162.9 Ų | 162.9 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -143.2 | 89.8 | 143.7 | -90.8 | -34.3 | 0 | 0 | 0 | 109.4 | ||||
| 564 | K | 34.3 | Very low | 33.1 | Very low | 190 Ų | 190 | 164 Ų | 164 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -51.7 | 131.4 | 132.9 | -89.5 | 174.6 | -174.5 | -174.5 | 0 | 111.6 | ||||
| 565 | P | 42.8 | Very low | 33.1 | Very low | 118 Ų | 118 | 160.6 Ų | 160.6 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | -133.3 | 120 | 123.7 | 33.2 | -5 | 0 | 0 | 0 | 111.8 | |||||
| 566 | Y | 26 | Very low | 33.2 | Very low | 200 Ų | 200 | 159 Ų | 159 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | 30.6 | 104.5 | 97.4 | -132.7 | -96.5 | 0 | 0 | 0 | 111.1 | |||||
| 567 | R | 33.6 | Very low | 33.5 | Very low | 215 Ų | 215 | 160.4 Ų | 160.4 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | 179.1 | 0 | 126.2 | -143.8 | 179.8 | 179.4 | -177.9 | 0.4 | 109.3 | |||||
| 568 | K | 32.6 | Very low | 34 | Very low | 177 Ų | 177 | 157.9 Ų | 157.9 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | 0 | 115.7 | 0 | -106.7 | 179.6 | -176.6 | 177.7 | 0 | 111.8 | |||||
| 569 | Q | 31.3 | Very low | 33.9 | Very low | 149 Ų | 149 | 158.5 Ų | 158.5 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | trans | 174.1 | 114.8 | 137.1 | -98.7 | -177.4 | 9.6 | 0 | 0 | 109.4 | ||||
| 570 | S | 30.6 | Very low | 33.9 | Very low | 71 Ų | 71 | 159.3 Ų | 159.3 | 50% | 0.497 | 77% | 0.767 | S | S | . | * | 86.8 | 117.1 | 80.1 | 58 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 571 | K | 31.4 | Very low | 34.1 | Very low | 171 Ų | 171 | 152.8 Ų | 152.8 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | 122.9 | 99.3 | 106.9 | -103.3 | -179.8 | -179.3 | 174.2 | 0 | 109.7 | |||||
| 572 | E | 33.4 | Very low | 34.1 | Very low | 187 Ų | 187 | 153.9 Ų | 153.9 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | -153.2 | 100 | 122.9 | -93.5 | -175.5 | 171.3 | 0 | 0 | 109.4 | |||||
| 573 | N | 32.6 | Very low | 34.3 | Very low | 141 Ų | 141 | 156.6 Ų | 156.6 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -54.3 | 116 | 133.1 | -79.7 | -15 | 0 | 0 | 0 | 112 | ||||
| 574 | H | 36.8 | Very low | 34.3 | Very low | 169 Ų | 169 | 152.5 Ų | 152.5 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | trans | -144.4 | 114.2 | 134.9 | -81.8 | -68.5 | 0 | 0 | 0 | 109.7 | ||||
| 575 | S | 33.6 | Very low | 34.3 | Very low | 91 Ų | 91 | 155.7 Ų | 155.7 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | 47.1 | 117.9 | 104.6 | 67.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 576 | N | 35.1 | Very low | 33.9 | Very low | 149 Ų | 149 | 153.7 Ų | 153.7 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | 144.5 | 112.3 | 103.5 | -89.6 | -20.2 | 0 | 0 | 0 | 109.9 | |||||
| 577 | V | 37.2 | Very low | 34 | Very low | 129 Ų | 129 | 155.8 Ų | 155.8 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | 108.3 | 0 | 103 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 578 | P | 44.4 | Very low | 34.2 | Very low | 103 Ų | 103 | 150.6 Ų | 150.6 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | 0 | 144.9 | 0 | 33.8 | -5 | 0 | 0 | 0 | 112 | |||||
| 579 | I | 34.7 | Very low | 34.5 | Very low | 158 Ų | 158 | 147.5 Ų | 147.5 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | 174.3 | 117.2 | 146.6 | -71.1 | 175.7 | 0 | 0 | 0 | 107.9 | ||||
| 580 | R | 31.6 | Very low | 34.7 | Very low | 248 Ų | 248 | 146.9 Ų | 146.9 | 94% | 0.936 | 77% | 0.77 | S | S | * | * | 34.9 | 121.1 | 123.5 | -136.8 | 174.5 | -174.5 | -175.1 | 0.3 | 111.1 | |||||
| 581 | G | 34.6 | Very low | 34.8 | Very low | 70 Ų | 70 | 153 Ų | 153 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | 157.2 | 109.9 | 116 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 582 | Q | 36.1 | Very low | 34.7 | Very low | 167 Ų | 167 | 150.8 Ų | 150.8 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | 40.5 | 122.5 | 119.8 | -91.8 | -164.5 | -5.6 | 0 | 0 | 111.1 | |||||
| 583 | R | 33.2 | Very low | 34.7 | Very low | 230 Ų | 230 | 146.2 Ų | 146.2 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | 120 | 120.1 | 117.9 | -86.1 | -168.1 | -157.5 | -122.4 | 1.7 | 109.4 | |||||
| 584 | G | 34.7 | Very low | 34.5 | Very low | 70 Ų | 70 | 149.4 Ų | 149.4 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | 126.3 | 111.5 | 120.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 585 | R | 33.5 | Very low | 34.6 | Very low | 256 Ų | 256 | 145 Ų | 145 | 97% | 0.966 | 78% | 0.775 | S | S | * | * | 59.6 | 111.9 | 112.3 | -78.5 | -156.7 | -164.4 | -110.8 | 0.2 | 110.6 | |||||
| 586 | G | 33.9 | Very low | 35.2 | Very low | 76 Ų | 76 | 152.2 Ų | 152.2 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | 140.9 | 97.2 | 121.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 587 | R | 29.5 | Very low | 36.1 | Very low | 245 Ų | 245 | 149.3 Ų | 149.3 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | 63.9 | 0 | 115.6 | -137.9 | -179 | -155.3 | -117.9 | 0.7 | 111 | |||||
| 588 | P | 37.4 | Very low | 36.1 | Very low | 106 Ų | 106 | 150.3 Ų | 150.3 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | 0 | 0 | 0 | 33.9 | -3.4 | 0 | 0 | 0 | 112.1 | |||||
| 589 | P | 39.6 | Very low | 35.7 | Very low | 112 Ų | 112 | 155.2 Ų | 155.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | 0 | 153.6 | 0 | 34.3 | -5.7 | 0 | 0 | 0 | 111.9 | |||||
| 590 | L | 34.7 | Very low | 35.6 | Very low | 136 Ų | 136 | 157.9 Ų | 157.9 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | 69.8 | 129.9 | 120.3 | -126.5 | 95.2 | 0 | 0 | 0 | 110.1 | |||||
| 591 | R | 33.8 | Very low | 35.8 | Very low | 199 Ų | 199 | 151.3 Ų | 151.3 | 75% | 0.751 | 77% | 0.773 | S | S | * | * | 115.5 | 131.9 | 102.7 | -118.3 | 179 | 175.9 | -154.2 | 1 | 109.6 | |||||
| 592 | D | 28 | Very low | 35.9 | Very low | 125 Ų | 125 | 155.8 Ų | 155.8 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | 146.7 | 129.3 | 116.8 | -86.2 | -24.9 | 0 | 0 | 0 | 109.3 | |||||
| 593 | S | 33 | Very low | 36.2 | Very low | 90 Ų | 90 | 157.6 Ų | 157.6 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | 105.1 | 112.8 | 113.4 | -67.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 594 | K | 29.6 | Very low | 36.4 | Very low | 208 Ų | 208 | 151.8 Ų | 151.8 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | trans | 128.4 | 0 | 131.8 | -73.8 | -168 | 179.6 | 176 | 0 | 109.5 | ||||
| 595 | G | 38.1 | Very low | 36.5 | Very low | 78 Ų | 78 | 153.1 Ų | 153.1 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | 0 | 111 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 596 | R | 45.7 | Very low | 36.6 | Very low | 242 Ų | 242 | 146.7 Ų | 146.7 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | 101.7 | 0 | 93.3 | -120.4 | -178.8 | -157.5 | -119.8 | 1 | 110.4 | |||||
| 597 | P | 55.8 | Low | 36.9 | Very low | 88 Ų | 88 | 147.9 Ų | 147.9 | 57% | 0.571 | 75% | 0.745 | S | S | * | * | 0 | 0 | 0 | 33.8 | -5.1 | 0 | 0 | 0 | 112.1 | |||||
| 598 | I | 36.8 | Very low | 37.5 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | 0 | 0 | 0 | -65.7 | 173.7 | 0 | 0 | 0 | 108.2 | |||||
| 599 | R | 35 | Very low | 37.9 | Very low | 206 Ų | 206 | 141.9 Ų | 141.9 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | 0 | 0 | 0 | -82.3 | -162.6 | 178.6 | -165.9 | 2 | 109.7 | |||||
| 600 | R | 33.4 | Very low | 38.2 | Very low | 213 Ų | 213 | 141.9 Ų | 141.9 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | 0 | 0 | 0 | -105.3 | -173.9 | 180 | -179 | 1.6 | 109.6 | |||||
| 601 | C | 35.2 | Very low | 38.8 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | 0 | 0 | 0 | -116 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 602 | K | 37.8 | Very low | 39.4 | Very low | 165 Ų | 165 | 137.9 Ų | 137.9 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | 0 | 0 | 0 | -113.7 | 170.8 | 173.9 | 164.2 | 0 | 110.7 | |||||
| 603 | Y | 42.1 | Very low | 40.4 | Very low | 204 Ų | 204 | 137.3 Ų | 137.3 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | 0 | 0 | 0 | -100.9 | -84.8 | 0 | 0 | 0 | 109.1 | |||||
| 604 | Q | 36.9 | Very low | 41.1 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 51% | 0.509 | 76% | 0.757 | S | S | . | * | 0 | 0 | 0 | -80.4 | -170.5 | 30.4 | 0 | 0 | 111.9 | D48 | D48-Q604 HydrophobicContact CB-CG 3.85Å; D48-Q604 CovalentContact CG-NE2 1.58Å; D48-Q604 PolarHBondContact OD1-NE2 3.32Å; D48-Q604 WeakPolarHBondContact OD2-CG 3.47Å; D48-Q604 CovalentContact OD2-NE2 1.38Å; D48-Q604 PolarHBondContact OD2-NE2 3.3Å; D48-Q604 PolarHBondContact OD2-OE1 2.85Å | |||
| 605 | S | 36.6 | Very low | 42 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | 0 | 0 | 0 | 21.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 606 | S | 36.7 | Very low | 42.5 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | 0 | 0 | 0 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 607 | S | 40.3 | Very low | 42.6 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | 0 | 0 | 0 | 60.5 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 608 | S | 41.6 | Very low | 42.2 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | 0 | 0 | 0 | 47.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 609 | S | 45.7 | Very low | 42.2 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | 0 | 0 | 0 | -65.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 610 | P | 46.1 | Very low | 42.4 | Very low | 112 Ų | 112 | 129 Ų | 129 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | 0 | 0 | 0 | 34.3 | -5.2 | 0 | 0 | 0 | 112.2 | |||||
| 611 | H | 46.8 | Very low | 42.6 | Very low | 152 Ų | 152 | 123.9 Ų | 123.9 | 70% | 0.704 | 76% | 0.761 | S | S | * | * | 0 | 0 | 0 | -83.1 | -71.5 | 0 | 0 | 0 | 109.7 | M1 | M1-H611 HydrophobicContact CE-CB 4.37Š| |||
| 612 | S | 45.6 | Very low | 42.7 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | 0 | 0 | 0 | 25.3 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 613 | S | 50.3 | Low | 42.6 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | 0 | 0 | 0 | 43.8 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 614 | D | 47 | Very low | 42.3 | Very low | 162 Ų | 162 | 115.7 Ų | 115.7 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | 0 | 0 | 0 | -84.2 | -22.2 | 0 | 0 | 0 | 109.7 | |||||
| 615 | S | 49 | Very low | 42.3 | Very low | 118 Ų | 118 | 118.1 Ų | 118.1 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | 0 | 0 | 0 | -56.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 616 | P | 48.8 | Very low | 42.1 | Very low | 127 Ų | 127 | 118.8 Ų | 118.8 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | 0 | 0 | 0 | 34.1 | -5.2 | 0 | 0 | 0 | 112.1 | |||||
| 617 | S | 46.9 | Very low | 42 | Very low | 124 Ų | 124 | 116 Ų | 116 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | 0 | 0 | 0 | 23.1 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 618 | S | 46.7 | Very low | 41.6 | Very low | 117 Ų | 117 | 117.2 Ų | 117.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | 0 | 0 | 0 | 58.7 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 619 | S | 37.7 | Very low | 41.2 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | 0 | 0 | 0 | 54.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 620 | V | 39.5 | Very low | 40.8 | Very low | 131 Ų | 131 | 120 Ų | 120 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | 0 | 0 | 0 | -74.6 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 621 | S | 37.4 | Very low | 40.2 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | 0 | 0 | 0 | -55.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 622 | S | 36.9 | Very low | 39.4 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | 0 | 124.7 | 0 | 2 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 623 | G | 36.9 | Very low | 38.8 | Very low | 71 Ų | 71 | 124 Ų | 124 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | 136.4 | 107.3 | 116.3 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 624 | S | 35.3 | Very low | 37.8 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | 47.4 | 119.7 | 108.2 | -70.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 625 | L | 35.9 | Very low | 37.3 | Very low | 161 Ų | 161 | 122.3 Ų | 122.3 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | 169.9 | 109 | 124.8 | -80.5 | 163.2 | 0 | 0 | 0 | 109.1 | |||||
| 626 | S | 32.9 | Very low | 36.6 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | 71.6 | 115.8 | 103.5 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 627 | G | 34.3 | Very low | 35.9 | Very low | 62 Ų | 62 | 120.6 Ų | 120.6 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | 124.3 | 101.6 | 114.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 628 | V | 33.5 | Very low | 35.2 | Very low | 127 Ų | 127 | 119 Ų | 119 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | 54.2 | 113.8 | 113.4 | -108.4 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 629 | D | 32.4 | Very low | 34.7 | Very low | 151 Ų | 151 | 121.4 Ų | 121.4 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | 135.6 | 103.2 | 119.8 | -85.7 | -37 | 0 | 0 | 0 | 109.2 | |||||
| 630 | V | 36.4 | Very low | 34.5 | Very low | 132 Ų | 132 | 123 Ų | 123 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | -17.4 | 156.4 | 141.4 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 631 | P | 35.3 | Very low | 34.2 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | -171 | 149.3 | 58.5 | 33.8 | -4.6 | 0 | 0 | 0 | 112.4 | |||||
| 632 | R | 28 | Very low | 33.8 | Very low | 225 Ų | 225 | 128.2 Ų | 128.2 | 85% | 0.849 | 76% | 0.76 | S | S | * | * | 93 | 0 | 118 | -92.8 | -178.8 | 169.9 | -134.6 | -0.3 | 109.9 | |||||
| 633 | T | 33.5 | Very low | 33.3 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | 0 | 126.8 | 0 | 45.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 634 | A | 29.6 | Very low | 32.9 | Very low | 93 Ų | 93 | 129.3 Ų | 129.3 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | 131.5 | 108.7 | 115.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 635 | N | 36.4 | Very low | 32.5 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | 27.3 | 130.1 | 107.8 | -118.1 | 6.6 | 0 | 0 | 0 | 111.9 | |||||
| 636 | N | 33.8 | Very low | 32.2 | Very low | 144 Ų | 144 | 129 Ų | 129 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | 128 | 123.4 | 114 | -111.4 | -0.3 | 0 | 0 | 0 | 109.8 | |||||
| 637 | G | 34.8 | Very low | 32.2 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | 106.1 | 123.7 | 97.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 638 | S | 33 | Very low | 32.3 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | 137.6 | 120 | 108.1 | -154.4 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 639 | Q | 35.4 | Very low | 32.2 | Very low | 166 Ų | 166 | 133 Ų | 133 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | 127.1 | 110.3 | 98.9 | -93.9 | -172.6 | -13.3 | 0 | 0 | 109.9 | |||||
| 640 | N | 33.8 | Very low | 32.1 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | 54 | 0 | 102.9 | -71.6 | -11.3 | 0 | 0 | 0 | 111.3 | |||||
| 641 | N | 31.9 | Very low | 31.7 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | 0 | 0 | 0 | -108.7 | 0.9 | 0 | 0 | 0 | 110 | |||||
| 642 | W | 30.1 | Very low | 31.7 | Very low | 210 Ų | 210 | 142.2 Ų | 142.2 | 80% | 0.795 | 78% | 0.779 | S | S | * | * | 0 | 0 | 0 | -83 | 29.8 | 0 | 0 | 0 | 109.4 | |||||
| 643 | C | 26.5 | Very low | 31.7 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | 0 | 0 | 0 | -76.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 644 | S | 28.6 | Very low | 31.6 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | 0 | 0 | 0 | -51.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 645 | N | 26.4 | Very low | 31.8 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | 0 | 112.1 | 0 | -102.3 | 13.1 | 0 | 0 | 0 | 110.1 | |||||
| 646 | S | 29.4 | Very low | 31.5 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | 130 | 0 | 113.3 | 67.2 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 647 | S | 32.7 | Very low | 31.6 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | 0 | 121 | 0 | -148 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 648 | T | 36.5 | Very low | 31.7 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | trans | -168.1 | 0 | 131.7 | 16.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 649 | D | 31.3 | Very low | 31.7 | Very low | 136 Ų | 136 | 140.4 Ų | 140.4 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | 0 | 0 | 0 | -117.3 | -9.5 | 0 | 0 | 0 | 111.4 | |||||
| 650 | W | 29.7 | Very low | 31.6 | Very low | 260 Ų | 260 | 141.9 Ų | 141.9 | 99% | 0.985 | 73% | 0.734 | S | S | * | * | 0 | 102.8 | 0 | -82.2 | 63 | 0 | 0 | 0 | 109 | |||||
| 651 | K | 29.8 | Very low | 31.6 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 70% | 0.704 | 73% | 0.733 | S | S | * | * | 25.2 | 103.5 | 110.8 | -122.4 | 163.9 | 170.2 | -172 | 0 | 111.9 | |||||
| 652 | V | 33.4 | Very low | 31.7 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 93% | 0.927 | 73% | 0.732 | S | S | * | * | trans | -131.8 | 0 | 137.4 | 173.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 653 | N | 28.2 | Very low | 32.3 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 64% | 0.642 | 72% | 0.719 | S | S | * | * | 0 | 0 | 0 | -94 | 0.4 | 0 | 0 | 0 | 112.2 | |||||
| 654 | K | 32.4 | Very low | 33.1 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 70% | 0.704 | 71% | 0.711 | S | S | * | * | 0 | 119.3 | 0 | -116 | 178.2 | -177 | 172.9 | 0 | 111.5 | |||||
| 655 | T | 33.2 | Very low | 33.6 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | 172.6 | 0 | 115.6 | -39.6 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 656 | E | 30.5 | Very low | 34.3 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | 0 | 114.8 | 0 | -92.6 | -166.6 | 169.8 | 0 | 0 | 110.9 | |||||
| 657 | M | 36.2 | Very low | 34.8 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | 18.7 | 171 | 127.1 | -72.4 | -89.1 | 142.9 | 0 | 0 | 111.2 | G693 | M657-G693 VanDerWaalsContact SD-O 3.36Š| |||
| 658 | P | 36 | Very low | 35.1 | Very low | 94 Ų | 94 | 140.3 Ų | 140.3 | 61% | 0.61 | 72% | 0.72 | S | S | * | * | cis | 172.4 | 147.4 | 29.2 | 33.9 | -4.9 | 0 | 0 | 0 | 112.1 | ||||
| 659 | R | 34.3 | Very low | 35.2 | Very low | 73 Ų | 73 | 145.1 Ų | 145.1 | 28% | 0.275 | 72% | 0.722 | S | S | . | * | 86 | 127.9 | 102.8 | -76.7 | -158.8 | -173.4 | -147 | -1.6 | 110.4 | G693 N694 | R659-G693 VanDerWaalsContact CD-C 3.44Å; R659-G693 VanDerWaalsContact CD-CA 3.49Å; R659-G693 CovalentContact CZ-CA 1.29Å; R659-G693 PolarHBondContact NE-O 3.16Å; R659-G693 CovalentContact NH2-C 1.07Å; R659-G693 CovalentContact NH2-CA 0.77Å; R659-G693 PolarHBondContact NH2-O 3.33Å; R659-N694 HydrophobicContact CG-CB 3.61Å; R659-N694 VanDerWaalsContact CZ-CG 3.5Å; R659-N694 PolarHBondContact NH1-ND2 2.94Å; R659-N694 PolarHBondContact NH1-OD1 2.88Å | |||
| 660 | R | 31.7 | Very low | 35.4 | Very low | 197 Ų | 197 | 143.6 Ų | 143.6 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | 131.8 | 113.5 | 111 | -91.3 | -167.3 | -156.3 | -122.3 | -0.6 | 109.4 | |||||
| 661 | G | 34.5 | Very low | 35.7 | Very low | 72 Ų | 72 | 140.7 Ų | 140.7 | 74% | 0.742 | 71% | 0.712 | S | S | * | * | 142.5 | 0 | 110.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 662 | R | 34.3 | Very low | 35.9 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 69% | 0.694 | 71% | 0.707 | S | S | * | * | 0 | 155.7 | 0 | -144.7 | -178.9 | -138.7 | -115.3 | -1.1 | 112.2 | E696 | R662-E696 VanDerWaalsContact CD-OE1 3.27Å; R662-E696 WeakPolarHBondContact CD-OE1 2.52Å; R662-E696 WeakPolarHBondContact CG-OE1 1.65Å; R662-E696 IonicContact CZ-OE1 3.81Å; R662-E696 IonicContact NE-OE1 2.74Å; R662-E696 PolarHBondContact NE-OE1 2.44Å | |||
| 663 | P | 43.4 | Very low | 36 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 53% | 0.526 | 70% | 0.697 | S | S | . | * | -128.6 | 0 | -83.2 | 35 | -6.8 | 0 | 0 | 0 | 112 | |||||
| 664 | P | 41.8 | Very low | 36.2 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 58% | 0.578 | 70% | 0.701 | S | S | * | * | 0 | 0 | 0 | 35 | -5.5 | 0 | 0 | 0 | 112.2 | |||||
| 665 | K | 39.7 | Very low | 36.1 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 84% | 0.839 | 70% | 0.702 | S | S | * | * | 0 | 0 | 0 | -75.4 | -170.6 | 177.9 | 173.7 | 0 | 109.7 | |||||
| 666 | S | 41.3 | Very low | 36.2 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | 0 | 0 | 0 | 74.5 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 667 | R | 39.9 | Very low | 36.4 | Very low | 251 Ų | 251 | 132.2 Ų | 132.2 | 95% | 0.947 | 71% | 0.705 | S | S | * | * | 0 | 0 | 0 | -90.4 | -173.7 | 158.7 | 168.5 | 0.4 | 110 | |||||
| 668 | G | 38.6 | Very low | 36.1 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 669 | R | 38.1 | Very low | 36 | Very low | 237 Ų | 237 | 137.1 Ų | 137.1 | 89% | 0.894 | 72% | 0.718 | S | S | * | * | 0 | 118.7 | 0 | -167.9 | -178.8 | -85.4 | -146.5 | 1.4 | 109.9 | |||||
| 670 | V | 36.4 | Very low | 35.7 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 63% | 0.63 | 73% | 0.734 | S | S | * | * | 119 | 0 | 70.4 | 177 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 671 | K | 36.6 | Very low | 35.5 | Very low | 199 Ų | 199 | 138.7 Ų | 138.7 | 87% | 0.865 | 74% | 0.738 | S | S | * | * | 0 | 121.5 | 0 | -121.9 | 175.9 | 176.5 | 166 | 0 | 109.7 | |||||
| 672 | A | 33 | Very low | 35.2 | Very low | 74 Ų | 74 | 138.9 Ų | 138.9 | 61% | 0.612 | 73% | 0.727 | S | S | * | * | 122.6 | 116.6 | 93.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 673 | I | 34.9 | Very low | 34.9 | Very low | 140 Ų | 140 | 135 Ų | 135 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | 125.6 | 112.5 | 96.8 | -67.3 | 170.1 | 0 | 0 | 0 | 108.4 | |||||
| 674 | N | 32.5 | Very low | 34.5 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | 115.3 | 110.9 | 99.8 | -93.6 | 2.5 | 0 | 0 | 0 | 110.2 | |||||
| 675 | D | 31.7 | Very low | 33.7 | Very low | 136 Ų | 136 | 138 Ų | 138 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | 128.9 | 105.3 | 106.2 | -104.3 | -31.7 | 0 | 0 | 0 | 109.8 | |||||
| 676 | V | 35.1 | Very low | 33.3 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | 121.9 | 103.3 | 103.1 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 677 | G | 34.3 | Very low | 32.9 | Very low | 65 Ų | 65 | 137.7 Ų | 137.7 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | 148.2 | 96.5 | 111.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 678 | R | 30.8 | Very low | 32.4 | Very low | 239 Ų | 239 | 131 Ų | 131 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | 72.9 | 106.8 | 94.3 | -144.1 | 177.3 | -117.5 | -101.2 | 0.4 | 110.7 | |||||
| 679 | S | 32.7 | Very low | 32 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | 114.1 | 0 | 88.1 | 59.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 680 | S | 28.6 | Very low | 31.8 | Very low | 86 Ų | 86 | 127.9 Ų | 127.9 | 60% | 0.601 | 73% | 0.733 | S | S | * | * | 0 | 108 | 0 | 129.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 681 | W | 27.5 | Very low | 31.7 | Very low | 217 Ų | 217 | 127.4 Ų | 127.4 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | 80.9 | 0 | 91.9 | -73.6 | 64 | 0 | 0 | 0 | 110 | |||||
| 682 | C | 28.8 | Very low | 31.7 | Very low | 77 Ų | 77 | 126.2 Ų | 126.2 | 52% | 0.52 | 74% | 0.737 | S | S | . | * | 0 | 0 | 0 | -85.5 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 683 | S | 27.3 | Very low | 31.8 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | 0 | 101.6 | 0 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 684 | P | 34.9 | Very low | 31.8 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 79% | 0.792 | 71% | 0.71 | S | S | * | * | trans | -95.6 | 99.7 | 149.6 | 27.8 | -1.4 | 0 | 0 | 0 | 111.6 | ||||
| 685 | T | 25.7 | Very low | 32 | Very low | 110 Ų | 110 | 119 Ų | 119 | 68% | 0.675 | 70% | 0.701 | S | S | * | * | 40.2 | 87.7 | 101.6 | 52.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 686 | A | 30.9 | Very low | 32.2 | Very low | 93 Ų | 93 | 117.4 Ų | 117.4 | 77% | 0.769 | 69% | 0.689 | S | S | * | * | trans | -150 | 78.8 | 133.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 687 | E | 31.8 | Very low | 32.2 | Very low | 200 Ų | 200 | 116 Ų | 116 | 94% | 0.935 | 68% | 0.676 | S | S | * | * | trans | -131.4 | 0 | 136.9 | -83.5 | -168.5 | 141.7 | 0 | 0 | 109.4 | ||||
| 688 | S | 29.9 | Very low | 32 | Very low | 109 Ų | 109 | 123.3 Ų | 123.3 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | 0 | 105.8 | 0 | 120.2 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 689 | S | 31 | Very low | 32.1 | Very low | 90 Ų | 90 | 117.7 Ų | 117.7 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | 149.8 | 94.8 | 111.6 | 8.9 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 690 | D | 33.3 | Very low | 32.2 | Very low | 161 Ų | 161 | 121.8 Ų | 121.8 | 86% | 0.861 | 68% | 0.683 | S | S | * | * | 158.1 | 0 | 119.6 | -72.1 | -31.2 | 0 | 0 | 0 | 109.2 | |||||
| 691 | A | 34.3 | Very low | 32.5 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 692 | E | 35.8 | Very low | 32.8 | Very low | 175 Ų | 175 | 117.6 Ų | 117.6 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | 0 | 0 | 0 | -86.2 | -165.8 | 158.2 | 0 | 0 | 110 | |||||
| 693 | G | 35.7 | Very low | 33.1 | Very low | 24 Ų | 24 | 119.8 Ų | 119.8 | 25% | 0.247 | 70% | 0.699 | C | S | . | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.9 | M657 R659 | M657-G693 VanDerWaalsContact SD-O 3.36Å; R659-G693 VanDerWaalsContact CD-C 3.44Å; R659-G693 VanDerWaalsContact CD-CA 3.49Å; R659-G693 CovalentContact CZ-CA 1.29Å; R659-G693 PolarHBondContact NE-O 3.16Å; R659-G693 CovalentContact NH2-C 1.07Å; R659-G693 CovalentContact NH2-CA 0.77Å; R659-G693 PolarHBondContact NH2-O 3.33Å | |||
| 694 | N | 35.2 | Very low | 33.7 | Very low | 96 Ų | 96 | 120.6 Ų | 120.6 | 51% | 0.513 | 71% | 0.705 | S | S | . | * | 0 | 0 | 0 | -111.4 | 7.6 | 0 | 0 | 0 | 110.3 | R659 | R659-N694 HydrophobicContact CG-CB 3.61Å; R659-N694 VanDerWaalsContact CZ-CG 3.5Å; R659-N694 PolarHBondContact NH1-ND2 2.94Å; R659-N694 PolarHBondContact NH1-OD1 2.88Å | |||
| 695 | S | 36.2 | Very low | 33.8 | Very low | 78 Ų | 78 | 120 Ų | 120 | 55% | 0.545 | 70% | 0.704 | S | S | . | * | 0 | 0 | 0 | 77.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 696 | E | 37 | Very low | 34.4 | Very low | 101 Ų | 101 | 120.6 Ų | 120.6 | 47% | 0.472 | 71% | 0.707 | S | S | . | * | 0 | 0 | 0 | -82.5 | -174 | 162.9 | 0 | 0 | 110.3 | R662 | R662-E696 VanDerWaalsContact CD-OE1 3.27Å; R662-E696 WeakPolarHBondContact CD-OE1 2.52Å; R662-E696 WeakPolarHBondContact CG-OE1 1.65Å; R662-E696 IonicContact CZ-OE1 3.81Å; R662-E696 IonicContact NE-OE1 2.74Å; R662-E696 PolarHBondContact NE-OE1 2.44Å | |||
| 697 | L | 34.8 | Very low | 34.7 | Very low | 107 Ų | 107 | 123.1 Ų | 123.1 | 56% | 0.56 | 71% | 0.706 | S | S | * | * | 0 | 0 | 0 | -106 | 146.7 | 0 | 0 | 0 | 110.1 | |||||
| 698 | W | 30.8 | Very low | 34.8 | Very low | 219 Ų | 219 | 122.7 Ų | 122.7 | 83% | 0.83 | 70% | 0.701 | S | S | * | * | 0 | 0 | 0 | -79 | 63.8 | 0 | 0 | 0 | 109.1 | |||||
| 699 | T | 33.1 | Very low | 35.4 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 74% | 0.742 | 70% | 0.699 | S | S | * | * | 0 | 137.4 | 0 | 5.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 700 | K | 34.8 | Very low | 35.6 | Very low | 176 Ų | 176 | 123.5 Ų | 123.5 | 77% | 0.765 | 70% | 0.704 | S | S | * | * | 69.1 | 145.7 | 98 | -109.9 | 178.5 | 179.3 | -175.9 | 0 | 110.6 | |||||
| 701 | L | 33.5 | Very low | 36.1 | Very low | 156 Ų | 156 | 121.3 Ų | 121.3 | 82% | 0.817 | 70% | 0.699 | S | S | * | * | 135.3 | 145.1 | 98 | -82 | 157.5 | 0 | 0 | 0 | 109.2 | |||||
| 702 | G | 34.7 | Very low | 36.3 | Very low | 60 Ų | 60 | 121.9 Ų | 121.9 | 62% | 0.619 | 70% | 0.697 | S | S | * | * | 107.1 | 0 | 97.8 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 703 | S | 35.4 | Very low | 36.3 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 85% | 0.853 | 70% | 0.703 | S | S | * | * | 0 | 0 | 0 | -70.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 704 | S | 39.1 | Very low | 36.2 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | 0 | 0 | 0 | -109 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 705 | S | 36.2 | Very low | 36.3 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | 0 | 0 | 0 | 66 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 706 | V | 38.3 | Very low | 36.6 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | 0 | 0 | 0 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 707 | I | 37.2 | Very low | 36.7 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | 0 | 0 | 0 | -61.5 | -179.1 | 0 | 0 | 0 | 108.3 | |||||
| 708 | K | 34.3 | Very low | 36.8 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | 0 | 0 | 0 | -77.3 | -172.5 | 179.2 | 174.9 | 0 | 110 | |||||
| 709 | P | 43.9 | Very low | 37.1 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | 0 | 0 | 0 | 34.6 | -6 | 0 | 0 | 0 | 112.2 | |||||
| 710 | S | 33.8 | Very low | 37.3 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | 0 | 0 | 0 | -38.4 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 711 | P | 43.4 | Very low | 37.4 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | 0 | 150.2 | 0 | 33.5 | -5 | 0 | 0 | 0 | 112.1 | |||||
| 712 | S | 38.4 | Very low | 37.3 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | 137.4 | 119.1 | 110.2 | 65.5 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 713 | R | 35.8 | Very low | 37.3 | Very low | 252 Ų | 252 | 131.2 Ų | 131.2 | 95% | 0.951 | 77% | 0.773 | S | S | * | * | 126.9 | 114.7 | 97.8 | -107.9 | 180 | -166.1 | -176.2 | -1.4 | 109.5 | |||||
| 714 | G | 34.1 | Very low | 37.3 | Very low | 78 Ų | 78 | 130 Ų | 130 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | 134.7 | 0 | 99.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 715 | R | 38.5 | Very low | 37.2 | Very low | 225 Ų | 225 | 131.4 Ų | 131.4 | 85% | 0.849 | 76% | 0.762 | S | S | * | * | 0 | 0 | 0 | -156.2 | 173.8 | -168.8 | -141.6 | -0.4 | 111 | |||||
| 716 | P | 40.7 | Very low | 37.2 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 57% | 0.571 | 76% | 0.759 | S | S | * | * | 0 | 0 | 0 | 34.9 | -5.3 | 0 | 0 | 0 | 112 | |||||
| 717 | K | 39.4 | Very low | 37.1 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | 0 | 0 | 0 | -113.5 | -179.5 | 179.2 | 170.5 | 0 | 109.5 | |||||
| 718 | L | 38.2 | Very low | 37.1 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | 0 | 0 | 0 | -80.8 | 164.1 | 0 | 0 | 0 | 109.6 | |||||
| 719 | A | 37.1 | Very low | 37.1 | Very low | 93 Ų | 93 | 136.2 Ų | 136.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 720 | A | 36.9 | Very low | 36.8 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 721 | S | 35.8 | Very low | 36.9 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | 0 | 119.8 | 0 | 59.4 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 722 | N | 32.6 | Very low | 36.6 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | 53 | 126.5 | 104.2 | -88 | -10.1 | 0 | 0 | 0 | 111.5 | |||||
| 723 | S | 35.1 | Very low | 36.5 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | 152.6 | 0 | 120.4 | 61.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 724 | S | 35 | Very low | 36.5 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | 0 | 0 | 0 | 43.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 725 | L | 36.9 | Very low | 36.3 | Very low | 148 Ų | 148 | 142 Ų | 142 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | 0 | 0 | 0 | -88.2 | 167.3 | 0 | 0 | 0 | 109.3 | |||||
| 726 | N | 36.1 | Very low | 36.1 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | 0 | 0 | 0 | -85.7 | -18.5 | 0 | 0 | 0 | 110.7 | |||||
| 727 | R | 36.3 | Very low | 35.6 | Very low | 221 Ų | 221 | 131.3 Ų | 131.3 | 83% | 0.834 | 69% | 0.694 | S | S | * | * | 0 | 0 | 0 | -134 | -178.4 | -154.7 | -167.5 | 0.4 | 110 | |||||
| 728 | I | 37.2 | Very low | 35.2 | Very low | 149 Ų | 149 | 129 Ų | 129 | 76% | 0.764 | 69% | 0.688 | S | S | * | * | 0 | 0 | 0 | -65.5 | 173.7 | 0 | 0 | 0 | 108.1 | |||||
| 729 | E | 35 | Very low | 35.3 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 79% | 0.79 | 68% | 0.682 | S | S | * | * | 0 | 0 | 0 | -97.5 | -177 | 172.2 | 0 | 0 | 112 | |||||
| 730 | D | 35.7 | Very low | 35 | Very low | 152 Ų | 152 | 127.4 Ų | 127.4 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | 0 | 0 | 0 | -88.8 | -36.9 | 0 | 0 | 0 | 109.2 | |||||
| 731 | A | 37.6 | Very low | 35 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 732 | K | 36.8 | Very low | 34.9 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 76% | 0.757 | 68% | 0.683 | S | S | * | * | 0 | 0 | 0 | -89.9 | -179.4 | -177.6 | -175.2 | 0 | 110.6 | |||||
| 733 | R | 35.7 | Very low | 35.3 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 64% | 0.638 | 68% | 0.675 | S | S | * | * | 0 | 0 | 0 | -95.8 | -178 | -175 | -106.4 | 0.9 | 110 | |||||
| 734 | K | 34.9 | Very low | 35.3 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | 0 | 0 | 0 | -87.8 | -176.1 | -176.8 | 179.3 | 0 | 110.6 | L1181 | K734-L1181 VanDerWaalsContact C-CB 3.42Å; K734-L1181 VanDerWaalsContact CA-CD1 3.48Å; K734-L1181 HydrophobicContact CB-CD1 3.49Å; K734-L1181 VanDerWaalsContact CB-CD1 3.49Å; K734-L1181 HydrophobicContact CB-CD2 3.12Å; K734-L1181 HydrophobicContact CB-CG 3.95Å; K734-L1181 HydrophobicContact CG-CD1 3.94Å; K734-L1181 HydrophobicContact CG-CD2 4.39Å; K734-L1181 WeakPolarHBondContact O-CD2 2.4Å | |||
| 735 | R | 31.8 | Very low | 35.1 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 60% | 0.604 | 68% | 0.683 | S | S | * | * | 0 | 0 | 0 | -163.5 | 173.9 | -123.6 | -132.2 | 0.5 | 109.8 | C1180 L1181 M1182 | R735-C1180 CarbonylContact C-O 2.94Å; R735-C1180 WeakPolarHBondContact CG-O 3.32Å; R735-C1180 CarbonylContact O-C 3.59Å; R735-L1181 CovalentContact C-CA 0.66Å; R735-L1181 CovalentContact C-CB 0.9Å; R735-L1181 VanDerWaalsContact C-CD1 3.41Å; R735-L1181 CarbonylContact C-O 3.35Å; R735-L1181 CovalentContact CA-CB 0.72Å; R735-L1181 CovalentContact CA-CG 1.4Å; R735-L1181 WeakPolarHBondContact CA-O 3.41Å; R735-L1181 HydrophobicContact CB-CB 1.84Å; R735-L1181 CovalentContact CB-CD1 1.18Å; R735-L1181 HydrophobicContact CB-CD1 1.18Å; R735-L1181 HydrophobicContact CB-CD2 2.17Å; R735-L1181 CovalentContact CB-CG 0.71Å; R735-L1181 HydrophobicContact CB-CG 0.71Å; R735-L1181 HydrophobicContact CG-CB 2.54Å; R735-L1181 HydrophobicContact CG-CD1 2.18Å; R735-L1181 HydrophobicContact CG-CD2 3.64Å; R735-L1181 HydrophobicContact CG-CG 2.12Å; R735-L1181 CarbonylContact O-C 3.37Å; R735-L1181 CovalentContact O-CA 0.83Å; R735-L1181 WeakPolarHBondContact O-CA 3.47Å; R735-L1181 WeakPolarHBondContact O-CB 2.47Å; R735-L1181 WeakPolarHBondContact O-CD2 3.19Å; R735-L1181 WeakPolarHBondContact O-CG 3.28Å; R735-L1181 PolarHBondContact O-N 3.09Å; R735-M1182 PolarHBondContact O-N 2.81Å | |||
| 736 | L | 33.6 | Very low | 35 | Very low | 44 Ų | 44 | 135.5 Ų | 135.5 | 23% | 0.23 | 68% | 0.679 | C | S | . | * | B | Isolated β-bridge | 0 | 0 | 0 | -77.7 | 157.4 | 0 | 0 | 0 | 110.5 | C1177 N1179 C1180 L1181 M1182 | L736-C1177 VanDerWaalsContact O-CB 3.22Å; L736-C1177 WeakPolarHBondContact O-CB 3.4Å; L736-N1179 WeakPolarHBondContact CD1-O 3.25Å; L736-C1180 CarbonylContact C-O 2.95Å; L736-C1180 WeakPolarHBondContact CA-O 1.07Å; L736-C1180 WeakPolarHBondContact CA-SG 3.09Å; L736-C1180 CovalentContact CB-C 0.95Å; L736-C1180 HydrophobicContact CB-CB 2.19Å; L736-C1180 CovalentContact CB-O 0.89Å; L736-C1180 WeakPolarHBondContact CB-O 3.29Å; L736-C1180 WeakPolarHBondContact CB-SG 3.25Å; L736-C1180 HydrophobicContact CD1-CB 3.38Å; L736-C1180 WeakPolarHBondContact CD1-O 3.02Å; L736-C1180 VanDerWaalsContact CD2-CA 3.4Å; L736-C1180 HydrophobicContact CD2-CB 3.62Å; L736-C1180 WeakPolarHBondContact CD2-O 3.47Å; L736-C1180 HydrophobicContact CG-CB 3.18Å; L736-C1180 CovalentContact CG-O 1.15Å; L736-C1180 WeakPolarHBondContact CG-O 3.46Å; L736-C1180 PolarHBondContact N-O 3.27Å; L736-C1180 CarbonylContact O-C 3.45Å; L736-C1180 VanDerWaalsContact O-C 3.3Å; L736-C1180 PolarHBondContact O-SG 2.93Å; L736-L1181 VanDerWaalsContact CA-O 3.28Å; L736-L1181 WeakPolarHBondContact CA-O 3.45Å; L736-L1181 HydrophobicContact CB-CB 3.66Å; L736-L1181 HydrophobicContact CB-CG 4.3Å; L736-L1181 HydrophobicContact CD1-CB 4.32Å; L736-L1181 HydrophobicContact CD1-CG 4.05Å; L736-L1181 HydrophobicContact CG-CB 3.65Å; L736-L1181 HydrophobicContact CG-CG 3.95Å; L736-L1181 CovalentContact N-C 1.19Å; L736-L1181 PolarHBondContact N-O 3.04Å; L736-L1181 CarbonylContact O-C 2.89Å; L736-L1181 WeakPolarHBondContact O-CA 3.09Å; L736-L1181 PolarHBondContact O-N 3.26Å; L736-M1182 VanDerWaalsContact C-C 3.46Å; L736-M1182 HydrophobicContact CB-CB 4.37Å; L736-M1182 HydrophobicContact CB-CG 3.88Å; L736-M1182 CovalentContact N-N 1.65Å; L736-M1182 CarbonylContact O-C 3.56Å; L736-M1182 WeakPolarHBondContact O-CA 3.33Å; L736-M1182 WeakPolarHBondContact O-CB 3.28Å; L736-M1182 WeakPolarHBondContact O-CG 3.48Å; L736-M1182 CovalentContact O-N 1.63Å; L736-M1182 PolarHBondContact O-N 2.79Å | |
| 737 | T | 30.2 | Very low | 34.7 | Very low | 43 Ų | 43 | 135.1 Ų | 135.1 | 26% | 0.264 | 68% | 0.681 | S | S | . | * | 0 | 0 | 0 | -1.3 | 0 | 0 | 0 | 0 | 111 | C1180 M1182 C1195 | T737-C1180 VanDerWaalsContact CA-SG 3.57Å; T737-C1180 WeakPolarHBondContact CB-SG 3.09Å; T737-C1180 PolarHBondContact N-SG 3.39Å; T737-C1180 PolarHBondContact O-SG 3.28Å; T737-C1180 WeakPolarHBondContact OG1-CB 0.9Å; T737-C1180 PolarHBondContact OG1-SG 3.21Å; T737-M1182 CovalentContact C-CE 1.92Å; T737-M1182 WeakPolarHBondContact CA-SD 3.47Å; T737-M1182 VanDerWaalsContact CB-CE 3.41Å; T737-M1182 VanDerWaalsContact CB-SD 3.6Å; T737-M1182 HydrophobicContact CG2-CE 3.89Å; T737-M1182 HydrophobicContact CG2-CG 4.02Å; T737-M1182 HydrophobicContact CG2-SD 3.87Å; T737-M1182 CovalentContact N-CG 0.92Å; T737-M1182 PolarHBondContact N-SD 3.44Å; T737-M1182 VanDerWaalsContact O-CB 3.22Å; T737-M1182 WeakPolarHBondContact O-CB 3.31Å; T737-M1182 WeakPolarHBondContact O-CE 2.52Å; T737-M1182 VanDerWaalsContact OG1-CG 3.29Å; T737-M1182 WeakPolarHBondContact OG1-CG 2.72Å; T737-C1195 WeakPolarHBondContact O-CB 3.4Å; T737-C1195 PolarHBondContact O-SG 2.66Å | |||
| 738 | I | 31.8 | Very low | 34.6 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 56% | 0.559 | 68% | 0.675 | S | S | * | * | 0 | 0 | 0 | -57.3 | 173.2 | 0 | 0 | 0 | 107.8 | M1182 | I738-M1182 HydrophobicContact CB-CE 3.77Å; I738-M1182 HydrophobicContact CG1-CE 3.55Å; I738-M1182 CovalentContact N-CE 1.73Å | |||
| 739 | P | 38.4 | Very low | 34.2 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | 0 | 0 | 0 | 33.3 | -4 | 0 | 0 | 0 | 112.2 | |||||
| 740 | S | 31 | Very low | 34 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | 0 | 0 | 0 | -136 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 741 | K | 37.7 | Very low | 33.8 | Very low | 183 Ų | 183 | 121.8 Ų | 121.8 | 80% | 0.796 | 67% | 0.67 | S | S | * | * | 0 | 0 | 0 | -97.7 | 178 | 178.6 | 175.5 | 0 | 109.6 | |||||
| 742 | N | 34.5 | Very low | 33.6 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | 0 | 0 | 0 | -77 | -15.3 | 0 | 0 | 0 | 110.4 | |||||
| 743 | P | 39.3 | Very low | 33.4 | Very low | 104 Ų | 104 | 124.9 Ų | 124.9 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | 0 | 0 | 0 | 34 | -4.9 | 0 | 0 | 0 | 112.1 | |||||
| 744 | I | 36.1 | Very low | 33.2 | Very low | 161 Ų | 161 | 129 Ų | 129 | 83% | 0.826 | 70% | 0.697 | S | S | * | * | 0 | 0 | 0 | -67.1 | 172.8 | 0 | 0 | 0 | 108.1 | |||||
| 745 | Q | 30.7 | Very low | 33.1 | Very low | 167 Ų | 167 | 127.8 Ų | 127.8 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | 0 | 112.8 | 0 | -92.1 | -177.5 | 1.9 | 0 | 0 | 110.9 | |||||
| 746 | D | 34.9 | Very low | 33.3 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | 166 | 108 | 120 | -80.4 | -25.5 | 0 | 0 | 0 | 109.4 | |||||
| 747 | T | 30.4 | Very low | 33.2 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | 78.3 | 113.8 | 91.6 | 53.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 748 | A | 33.5 | Very low | 33.6 | Very low | 86 Ų | 86 | 146.9 Ų | 146.9 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | 120.8 | 110 | 104.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 749 | N | 29.5 | Very low | 33.6 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | 109.5 | 106.9 | 99 | -120.5 | 20.6 | 0 | 0 | 0 | 110.3 | |||||
| 750 | S | 29.2 | Very low | 33.2 | Very low | 105 Ų | 105 | 151.3 Ų | 151.3 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | 82.7 | 112.3 | 97.8 | 69.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 751 | G | 32.7 | Very low | 33.4 | Very low | 68 Ų | 68 | 155.2 Ų | 155.2 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | 145.5 | 99.6 | 113.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 752 | S | 33.3 | Very low | 33.2 | Very low | 128 Ų | 128 | 155 Ų | 155 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | 98.8 | 106.3 | 104.2 | -91.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 753 | K | 31.9 | Very low | 33 | Very low | 205 Ų | 205 | 152.4 Ų | 152.4 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | 24.6 | 120.8 | 109.6 | -91 | -175.6 | -178.4 | 170.6 | 0 | 111.4 | |||||
| 754 | R | 31.9 | Very low | 32.8 | Very low | 255 Ų | 255 | 152.3 Ų | 152.3 | 96% | 0.962 | 80% | 0.795 | S | S | * | * | trans | -153.9 | 0 | 134.6 | -135.3 | 173.4 | 157.4 | -176 | 1.2 | 109.1 | ||||
| 755 | S | 33.2 | Very low | 32.9 | Very low | 113 Ų | 113 | 154.6 Ų | 154.6 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | 0 | 129.4 | 0 | -100 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 756 | K | 35.9 | Very low | 32.8 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | -178.1 | 113.2 | 128.4 | -106.9 | 178.1 | -177.5 | 165.7 | 0 | 109.3 | |||||
| 757 | R | 32.1 | Very low | 32.6 | Very low | 229 Ų | 229 | 148.8 Ų | 148.8 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | 95.8 | 0 | 95.8 | -116.8 | -174.2 | -145.8 | -166.2 | 1.6 | 110 | |||||
| 758 | Y | 37 | Very low | 32.9 | Very low | 237 Ų | 237 | 148.6 Ų | 148.6 | 93% | 0.929 | 79% | 0.788 | S | S | * | * | 0 | 0 | 0 | -129.1 | -94.6 | 0 | 0 | 0 | 109.1 | |||||
| 759 | S | 31.9 | Very low | 33 | Very low | 116 Ų | 116 | 155.1 Ų | 155.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | 0 | 116.4 | 0 | -154.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 760 | K | 31.3 | Very low | 33.3 | Very low | 185 Ų | 185 | 154.5 Ų | 154.5 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | 45.9 | 0 | 84.9 | -119 | 175.6 | -178.3 | 175.3 | 0 | 111 | |||||
| 761 | Q | 35 | Very low | 33.8 | Very low | 192 Ų | 192 | 156 Ų | 156 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | 0 | 0 | 0 | -147.8 | 173.9 | 2.1 | 0 | 0 | 109.5 | |||||
| 762 | M | 33.7 | Very low | 34.3 | Very low | 179 Ų | 179 | 158.1 Ų | 158.1 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | 0 | 0 | 0 | -77.9 | -139.2 | 115.2 | 0 | 0 | 109.1 | |||||
| 763 | D | 29.2 | Very low | 34.9 | Very low | 83 Ų | 83 | 155.7 Ų | 155.7 | 44% | 0.444 | 76% | 0.759 | S | S | . | * | 0 | 0 | 0 | -75.5 | -26.1 | 0 | 0 | 0 | 109.1 | R422 | R422-D763 IonicContact CZ-OD2 3.62Å; R422-D763 IonicContact NH1-OD2 2.38Å; R422-D763 PolarHBondContact NH1-OD2 3.26Å | |||
| 764 | S | 34.7 | Very low | 35.2 | Very low | 103 Ų | 103 | 152.7 Ų | 152.7 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | 0 | 0 | 0 | -105.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 765 | F | 38.1 | Very low | 35.4 | Very low | 208 Ų | 208 | 145.8 Ų | 145.8 | 91% | 0.912 | 73% | 0.729 | S | S | * | * | 0 | 0 | 0 | -81.1 | -78.9 | 0 | 0 | 0 | 109.2 | |||||
| 766 | G | 29.1 | Very low | 35.8 | Very low | 68 Ų | 68 | 143.7 Ų | 143.7 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 767 | N | 30.6 | Very low | 35.9 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 58% | 0.578 | 70% | 0.703 | S | S | * | * | 0 | 0 | 0 | -112.3 | -14 | 0 | 0 | 0 | 109.8 | N450 | N450-N767 VanDerWaalsContact C-ND2 3.27Å; N450-N767 PolarHBondContact O-ND2 1.39Å; N450-N767 PolarHBondContact O-OD1 2.75Å | |||
| 768 | V | 37.9 | Very low | 36 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 72% | 0.721 | 70% | 0.698 | S | S | * | * | 0 | 76.6 | 0 | 176.9 | 0 | 0 | 0 | 0 | 108 | D770 | V768-D770 PolarHBondContact O-N 3.06Š| |||
| 769 | R | 35.7 | Very low | 35.7 | Very low | 223 Ų | 223 | 131.9 Ų | 131.9 | 84% | 0.842 | 68% | 0.682 | S | S | * | * | trans | 36.9 | 82.4 | 132 | -82.1 | 178.4 | 146.8 | 171.1 | 1 | 111.3 | E771 | R769-E771 PolarHBondContact O-N 3.47Å; R769-E771 VanDerWaalsContact O-N 3.1Å | ||
| 770 | D | 35.8 | Very low | 35.7 | Very low | 138 Ų | 138 | 132 Ų | 132 | 74% | 0.738 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -14.4 | 46.4 | 139.2 | -84.9 | -34.3 | 0 | 0 | 0 | 111.7 | V768 | V768-D770 PolarHBondContact O-N 3.06Š|
| 771 | E | 39.4 | Very low | 35.6 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | trans | -111.9 | 0 | 172.1 | -69.2 | -154.3 | 120.7 | 0 | 0 | 109.7 | R769 | R769-E771 PolarHBondContact O-N 3.47Å; R769-E771 VanDerWaalsContact O-N 3.1Å | ||
| 772 | D | 43 | Very low | 35.5 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 61% | 0.61 | 67% | 0.67 | S | S | * | * | G | 310 helix | 0 | 0 | 0 | -70.9 | -33.6 | 0 | 0 | 0 | 109.6 | E774 | D772-E774 VanDerWaalsContact C-N 3.28Š| |
| 773 | D | 45.1 | Very low | 35.3 | Very low | 77 Ų | 77 | 125.5 Ų | 125.5 | 41% | 0.412 | 67% | 0.671 | S | S | . | * | G | 310 helix | 0 | 0 | 0 | -83 | -26.1 | 0 | 0 | 0 | 109.9 | R222 T776 | R222-D773 IonicContact NH1-OD1 2.02Å; D773-T776 PolarHBondContact O-OG1 2.47Å | |
| 774 | E | 38.3 | Very low | 35.1 | Very low | 141 Ų | 141 | 124.2 Ų | 124.2 | 66% | 0.659 | 68% | 0.678 | S | S | * | * | G | 310 helix | 0 | 0 | 0 | -141.6 | 178.5 | 161 | 0 | 0 | 110 | D772 | D772-E774 VanDerWaalsContact C-N 3.28Š| |
| 775 | L | 37.4 | Very low | 34.7 | Very low | 110 Ų | 110 | 126.3 Ų | 126.3 | 58% | 0.576 | 68% | 0.681 | S | S | * | * | S | Bend | 0 | 0 | 0 | -98.6 | 141 | 0 | 0 | 0 | 109.6 | D777 | L775-D777 VanDerWaalsContact C-N 3.31Š| |
| 776 | T | 40 | Very low | 34.2 | Very low | 69 Ų | 69 | 122.6 Ų | 122.6 | 42% | 0.423 | 67% | 0.67 | S | S | . | * | S | Bend | 0 | 0 | 0 | 52.4 | 0 | 0 | 0 | 0 | 109.3 | D773 | D773-T776 PolarHBondContact O-OG1 2.47Š| |
| 777 | D | 38.9 | Very low | 34.3 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 61% | 0.61 | 67% | 0.673 | S | S | * | * | 0 | 0 | 0 | -87.6 | -17.9 | 0 | 0 | 0 | 109.2 | L775 | L775-D777 VanDerWaalsContact C-N 3.31Š| |||
| 778 | R | 33 | Very low | 34.3 | Very low | 201 Ų | 201 | 127.5 Ų | 127.5 | 76% | 0.758 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -94.8 | -170.6 | 163.4 | 143 | 0.7 | 109.6 | |||
| 779 | C | 31.2 | Very low | 33.8 | Very low | 86 Ų | 86 | 128.4 Ų | 128.4 | 58% | 0.581 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | 0 | 46.6 | 0 | -42.5 | 0 | 0 | 0 | 0 | 109.3 | |||
| 780 | D | 31.7 | Very low | 33.4 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | trans | -146.3 | 0 | 165.4 | -96 | -23.2 | 0 | 0 | 0 | 109 | ||||
| 781 | S | 30 | Very low | 33.3 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | 0 | 0 | 0 | -68.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 782 | P | 32.9 | Very low | 33 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 85% | 0.851 | 70% | 0.697 | S | S | * | * | 0 | 0 | 0 | 31.3 | -3.2 | 0 | 0 | 0 | 111.6 | |||||
| 783 | I | 28.9 | Very low | 32.5 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 91% | 0.908 | 70% | 0.701 | S | S | * | * | 0 | 102.7 | 0 | -66.5 | 169.1 | 0 | 0 | 0 | 110.2 | |||||
| 784 | G | 25.6 | Very low | 31.9 | Very low | 57 Ų | 57 | 133.1 Ų | 133.1 | 59% | 0.588 | 71% | 0.714 | S | S | * | * | 91.4 | 103.3 | 128 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 785 | N | 26.3 | Very low | 31.4 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 79% | 0.786 | 71% | 0.709 | S | S | * | * | 111.2 | 109.1 | 111.1 | -105.1 | 3.9 | 0 | 0 | 0 | 110.5 | |||||
| 786 | D | 27.3 | Very low | 30.9 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 69% | 0.69 | 72% | 0.719 | S | S | * | * | 106.5 | 104.2 | 108.4 | -89.2 | -26.1 | 0 | 0 | 0 | 110 | |||||
| 787 | S | 31.3 | Very low | 30.2 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | 136.7 | 0 | 115.7 | -61.2 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 788 | Q | 30.6 | Very low | 29.6 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | 0 | 106.1 | 0 | -71.5 | -166 | -10.4 | 0 | 0 | 111.2 | |||||
| 789 | N | 26.8 | Very low | 29.3 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | 152.8 | 106.7 | 126.3 | -91.4 | -36.7 | 0 | 0 | 0 | 109.8 | |||||
| 790 | L | 27.3 | Very low | 29.3 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | 139.4 | 93.8 | 110.5 | -109.3 | 105 | 0 | 0 | 0 | 109.2 | |||||
| 791 | R | 35.2 | Very low | 29.3 | Very low | 230 Ų | 230 | 143.9 Ų | 143.9 | 87% | 0.868 | 74% | 0.739 | S | S | * | * | 2.9 | 113.7 | 122.6 | -84.7 | -167.1 | -174.3 | -148.6 | -0.7 | 111.5 | |||||
| 792 | H | 31.4 | Very low | 29.2 | Very low | 182 Ų | 182 | 147 Ų | 147 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -179.4 | 0 | 132.7 | -79.1 | 81.9 | 0 | 0 | 0 | 109 | ||||
| 793 | S | 33.3 | Very low | 29.2 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | 0 | 133.3 | 0 | -155.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 794 | N | 32.5 | Very low | 29.2 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | 104.8 | 129.2 | 120.7 | -91.2 | -9.9 | 0 | 0 | 0 | 110.4 | |||||
| 795 | N | 28.5 | Very low | 29.6 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 55% | 0.545 | 73% | 0.734 | S | S | . | * | 128.8 | 119.4 | 101.5 | -98.9 | -3.2 | 0 | 0 | 0 | 110.1 | |||||
| 796 | Y | 26.2 | Very low | 29.9 | Very low | 200 Ų | 200 | 142.5 Ų | 142.5 | 78% | 0.784 | 73% | 0.726 | S | S | * | * | 130.2 | 113.3 | 118.2 | -77.5 | -79.1 | 0 | 0 | 0 | 109.5 | |||||
| 797 | R | 25.4 | Very low | 30.3 | Very low | 204 Ų | 204 | 145.1 Ų | 145.1 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | 46.6 | 0 | 95.5 | -164.1 | 176.1 | -128.7 | -144.2 | -2.1 | 111.3 | |||||
| 798 | W | 26.8 | Very low | 30.3 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 61% | 0.606 | 73% | 0.727 | S | S | * | * | 0 | 130.6 | 0 | -78.2 | 94.7 | 0 | 0 | 0 | 109.9 | |||||
| 799 | H | 25.4 | Very low | 30.5 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 62% | 0.62 | 72% | 0.723 | S | S | * | * | 115.8 | 125.8 | 103.8 | -81.2 | -63.6 | 0 | 0 | 0 | 109.8 | |||||
| 800 | S | 31.9 | Very low | 30.8 | Very low | 88 Ų | 88 | 142 Ų | 142 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | 50.8 | 133.2 | 111.1 | -110.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 801 | H | 31.9 | Very low | 31.2 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 82% | 0.815 | 73% | 0.728 | S | S | * | * | 164.8 | 0 | 121.9 | -75.7 | -83 | 0 | 0 | 0 | 109.1 | |||||
| 802 | H | 28.3 | Very low | 31.1 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.815 | 73% | 0.727 | S | S | * | * | 0 | 125.5 | 0 | -96 | -77.3 | 0 | 0 | 0 | 111.3 | |||||
| 803 | S | 31.4 | Very low | 31.6 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | 149.5 | 117.8 | 115.7 | -90.6 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 804 | S | 30.6 | Very low | 31.6 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | 37.6 | 131.1 | 104 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 805 | S | 33.4 | Very low | 31.6 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | 141.8 | 122.5 | 115.6 | 176.6 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 806 | V | 33.3 | Very low | 31.8 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 61% | 0.612 | 73% | 0.732 | S | S | * | * | 64.7 | 132.3 | 92.1 | -174.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 807 | Y | 34.6 | Very low | 32.2 | Very low | 185 Ų | 185 | 127 Ų | 127 | 73% | 0.725 | 73% | 0.732 | S | S | * | * | 137.3 | 127.4 | 107.7 | -90.6 | -79.2 | 0 | 0 | 0 | 109.4 | |||||
| 808 | N | 31.4 | Very low | 32.5 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | 95 | 132.2 | 93.3 | -92.8 | -7.7 | 0 | 0 | 0 | 110.4 | |||||
| 809 | A | 34.8 | Very low | 32.9 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | 119.5 | 118.5 | 99.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 810 | S | 33.9 | Very low | 33.3 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | 38.9 | 131.6 | 108.8 | 31.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 811 | G | 34.6 | Very low | 33.3 | Very low | 71 Ų | 71 | 128.7 Ų | 128.7 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | 159.4 | 102 | 123.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 812 | T | 34.5 | Very low | 33.6 | Very low | 139 Ų | 139 | 126.2 Ų | 126.2 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | -0.3 | 0 | 134.7 | 47.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 813 | P | 41 | Very low | 33.9 | Very low | 106 Ų | 106 | 119.9 Ų | 119.9 | 69% | 0.688 | 73% | 0.727 | S | S | * | * | 0 | 0 | 0 | 34.8 | -5.4 | 0 | 0 | 0 | 112.1 | |||||
| 814 | V | 34.2 | Very low | 33.9 | Very low | 131 Ų | 131 | 118.1 Ų | 118.1 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | 0 | 0 | 0 | -172.1 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 815 | S | 31.8 | Very low | 34.2 | Very low | 99 Ų | 99 | 116.9 Ų | 116.9 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | 0 | 135.2 | 0 | 117 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 816 | S | 31.7 | Very low | 34.2 | Very low | 99 Ų | 99 | 116.8 Ų | 116.8 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | 146.8 | 127.3 | 114 | -74.1 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 817 | V | 35.4 | Very low | 34.2 | Very low | 130 Ų | 130 | 118.7 Ų | 118.7 | 79% | 0.788 | 71% | 0.705 | S | S | * | * | 133.2 | 117.6 | 108 | 176.2 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 818 | R | 31 | Very low | 34.3 | Very low | 241 Ų | 241 | 116.8 Ų | 116.8 | 91% | 0.909 | 70% | 0.702 | S | S | * | * | 33.2 | 0 | 109.4 | -85 | -172.6 | -174.8 | -151.6 | 0.3 | 111.2 | |||||
| 819 | K | 35.8 | Very low | 34.3 | Very low | 202 Ų | 202 | 118 Ų | 118 | 88% | 0.878 | 70% | 0.701 | S | S | * | * | 0 | 0 | 0 | -131.4 | 169.7 | -179.1 | 175.1 | 0 | 109.5 | |||||
| 820 | S | 33.3 | Very low | 34.2 | Very low | 112 Ų | 112 | 119.1 Ų | 119.1 | 78% | 0.783 | 70% | 0.699 | S | S | * | * | 0 | 0 | 0 | 54.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 821 | G | 32.2 | Very low | 34.2 | Very low | 68 Ų | 68 | 118.8 Ų | 118.8 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 822 | I | 38.7 | Very low | 34.9 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | 0 | 0 | 0 | -61.1 | 170.3 | 0 | 0 | 0 | 108.2 | R431 H433 | R431-I822 WeakPolarHBondContact CG-O 2.61Å; R431-I822 PolarHBondContact NE-O 3.44Å; H433-I822 WeakPolarHBondContact NE2-CG2 2.95Å | |||
| 823 | N | 33.5 | Very low | 34.9 | Very low | 42 Ų | 42 | 119.5 Ų | 119.5 | 23% | 0.225 | 69% | 0.693 | C | S | . | * | 0 | 0 | 0 | -91.4 | 3.2 | 0 | 0 | 0 | 111.8 | R431 S432 H433 | R431-N823 CarbonylContact C-O 3.12Å; R431-N823 WeakPolarHBondContact CA-O 3Å; R431-N823 VanDerWaalsContact CB-CA 3.44Å; R431-N823 WeakPolarHBondContact CB-O 3.08Å; R431-N823 WeakPolarHBondContact CG-O 2.96Å; R431-N823 CarbonylContact O-C 2.92Å; R431-N823 WeakPolarHBondContact O-CA 3.42Å; S432-N823 VanDerWaalsContact C-CA 3.4Å; S432-N823 CovalentContact CA-CA 1.89Å; S432-N823 VanDerWaalsContact CA-N 3.26Å; S432-N823 WeakPolarHBondContact CA-ND2 3.14Å; S432-N823 WeakPolarHBondContact CA-OD1 3.44Å; S432-N823 CovalentContact CB-C 1.9Å; S432-N823 CovalentContact CB-CB 1.84Å; S432-N823 WeakPolarHBondContact CB-O 3.22Å; S432-N823 WeakPolarHBondContact CB-OD1 3.41Å; S432-N823 PolarHBondContact N-OD1 3.28Å; S432-N823 WeakPolarHBondContact OG-CA 1.61Å; S432-N823 VanDerWaalsContact OG-CB 3.24Å; S432-N823 WeakPolarHBondContact OG-CB 2.62Å; S432-N823 PolarHBondContact OG-O 2.9Å; H433-N823 WeakPolarHBondContact CA-ND2 2.48Å; H433-N823 VanDerWaalsContact CA-OD1 3.28Å; H433-N823 WeakPolarHBondContact CA-OD1 2.67Å; H433-N823 HydrophobicContact CB-CB 3.76Å; H433-N823 WeakPolarHBondContact CB-ND2 3.49Å; H433-N823 WeakPolarHBondContact CD2-CB 2.1Å; H433-N823 CovalentContact CD2-ND2 1.04Å; H433-N823 PolarHBondContact CD2-ND2 3.24Å; H433-N823 PolarHBondContact CD2-OD1 2.25Å; H433-N823 PolarHBondContact CE1-ND2 3.34Å; H433-N823 CovalentContact CG-ND2 1.09Å; H433-N823 VanDerWaalsContact CG-OD1 3.23Å; H433-N823 PolarHBondContact N-ND2 2.85Å; H433-N823 PolarHBondContact N-OD1 2.95Å; H433-N823 PolarHBondContact ND1-ND2 3Å; H433-N823 WeakPolarHBondContact NE2-CB 1.99Å; H433-N823 PolarHBondContact NE2-ND2 3.03Å | |||
| 824 | D | 33.2 | Very low | 34.8 | Very low | 70 Ų | 70 | 122.8 Ų | 122.8 | 37% | 0.374 | 70% | 0.697 | S | S | . | * | 0 | 0 | 0 | -120.4 | -24 | 0 | 0 | 0 | 109 | R431 S432 H433 | R431-D824 CovalentContact C-N 1.6Å; R431-D824 CarbonylContact O-C 2.38Å; R431-D824 WeakPolarHBondContact O-CA 3.5Å; R431-D824 PolarHBondContact O-N 3.28Å; S432-D824 WeakPolarHBondContact CA-OD2 3.5Å; S432-D824 WeakPolarHBondContact CB-OD2 3.45Å; S432-D824 VanDerWaalsContact N-CB 3.25Å; S432-D824 WeakPolarHBondContact O-CA 3.24Å; S432-D824 WeakPolarHBondContact O-CB 2.44Å; S432-D824 CovalentContact O-CG 1.07Å; S432-D824 PolarHBondContact O-N 3.47Å; S432-D824 CovalentContact OG-CA 1.28Å; S432-D824 WeakPolarHBondContact OG-CA 3.18Å; S432-D824 WeakPolarHBondContact OG-CB 3.22Å; S432-D824 CovalentContact OG-N 1.38Å; S432-D824 PolarHBondContact OG-N 3.18Å; S432-D824 PolarHBondContact OG-O 2.86Å; H433-D824 WeakPolarHBondContact CA-OD2 3.36Å; H433-D824 HydrophobicContact CB-CB 4.22Å; H433-D824 WeakPolarHBondContact CB-OD2 3.24Å; H433-D824 PolarHBondContact N-OD1 3.41Å; H433-D824 PolarHBondContact N-OD2 3.21Å | |||
| 825 | S | 35.7 | Very low | 34.9 | Very low | 83 Ų | 83 | 125.5 Ų | 125.5 | 58% | 0.58 | 70% | 0.698 | S | S | * | * | 0 | 0 | 0 | -39.4 | 0 | 0 | 0 | 0 | 109.6 | S432 | S432-S825 PolarHBondContact O-OG 3.35Å; S432-S825 PolarHBondContact OG-N 3.12Å | |||
| 826 | S | 34.7 | Very low | 35.1 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | 0 | 0 | 0 | 69 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 827 | I | 32.9 | Very low | 35.4 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | 0 | 0 | 0 | -64.9 | 177.8 | 0 | 0 | 0 | 108.2 | |||||
| 828 | H | 35.7 | Very low | 35.5 | Very low | 146 Ų | 146 | 126.2 Ų | 126.2 | 68% | 0.676 | 71% | 0.709 | S | S | * | * | 0 | 0 | 0 | -90.8 | -73.5 | 0 | 0 | 0 | 110.4 | |||||
| 829 | K | 31.6 | Very low | 35.7 | Very low | 163 Ų | 163 | 119.5 Ų | 119.5 | 71% | 0.709 | 71% | 0.705 | S | S | * | * | 0 | 0 | 0 | -98.7 | 179.4 | -179.8 | -179.9 | 0 | 110.1 | |||||
| 830 | T | 33.6 | Very low | 35.7 | Very low | 112 Ų | 112 | 118.9 Ų | 118.9 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | 0 | 0 | 0 | 51.7 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 831 | S | 32.9 | Very low | 35.8 | Very low | 116 Ų | 116 | 121 Ų | 121 | 81% | 0.811 | 70% | 0.7 | S | S | * | * | 0 | 0 | 0 | -75.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 832 | P | 48.9 | Very low | 35.9 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 75% | 0.747 | 71% | 0.706 | S | S | * | * | 0 | 0 | 0 | 33.9 | -5.1 | 0 | 0 | 0 | 112.1 | |||||
| 833 | S | 36.1 | Very low | 35.9 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | 0 | 0 | 0 | -91 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 834 | K | 37.3 | Very low | 36.1 | Very low | 176 Ų | 176 | 129.4 Ų | 129.4 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | 0 | 0 | 0 | -94.9 | -176.5 | -179.2 | 172.5 | 0 | 110.1 | |||||
| 835 | K | 37.3 | Very low | 36.2 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | 0 | 0 | 0 | -94.2 | -176.6 | -177.2 | 178.4 | 0 | 110.1 | |||||
| 836 | A | 36.3 | Very low | 36.2 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 837 | S | 37.2 | Very low | 36.4 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | 0 | 0 | 0 | 75.5 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 838 | T | 36.7 | Very low | 36.5 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | 0 | 0 | 0 | 42.6 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 839 | A | 35.6 | Very low | 36.5 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 840 | K | 36.5 | Very low | 36.7 | Very low | 188 Ų | 188 | 134.6 Ų | 134.6 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | 0 | 0 | 0 | -121.7 | 170.3 | 178.9 | 176.9 | 0 | 109.5 | |||||
| 841 | Q | 36 | Very low | 36.7 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | 0 | 0 | 0 | -86.7 | -147.1 | -42.7 | 0 | 0 | 110.1 | |||||
| 842 | R | 33.4 | Very low | 36.7 | Very low | 218 Ų | 218 | 134.3 Ų | 134.3 | 82% | 0.823 | 75% | 0.754 | S | S | * | * | 0 | 0 | 0 | -100.3 | 176.4 | 125.6 | -160.4 | 1 | 109.5 | |||||
| 843 | S | 38.3 | Very low | 36 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | 0 | 0 | 0 | 61.2 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 844 | S | 37.3 | Very low | 35.8 | Very low | 90 Ų | 90 | 134.3 Ų | 134.3 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | 0 | 0 | 0 | 36.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 845 | H | 36.3 | Very low | 36.1 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 80% | 0.801 | 76% | 0.755 | S | S | * | * | 0 | 0 | 0 | -81 | -97.9 | 0 | 0 | 0 | 109.5 | |||||
| 846 | S | 36.4 | Very low | 35.9 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 0 | 0 | 0 | 78.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 847 | S | 38.4 | Very low | 36 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | 0 | 0 | 0 | 62.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 848 | N | 34.5 | Very low | 36.1 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | 0 | 0 | 0 | -75.7 | -16 | 0 | 0 | 0 | 110.3 | |||||
| 849 | Y | 35.1 | Very low | 36.2 | Very low | 215 Ų | 215 | 127.2 Ų | 127.2 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | 0 | 0 | 0 | -128.7 | -97 | 0 | 0 | 0 | 109.4 | |||||
| 850 | S | 36.4 | Very low | 36.8 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 55% | 0.552 | 74% | 0.735 | S | S | * | * | 0 | 0 | 0 | -48.5 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 851 | T | 34.1 | Very low | 37.2 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | 0 | 0 | 0 | -34.6 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 852 | C | 31.8 | Very low | 37.7 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 71% | 0.709 | 72% | 0.724 | S | S | * | * | 0 | 0 | 0 | 62.1 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 853 | S | 35.4 | Very low | 38 | Very low | 105 Ų | 105 | 120.6 Ų | 120.6 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | 0 | 0 | 0 | -53.6 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 854 | S | 31.5 | Very low | 38.2 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | 0 | 0 | 0 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 855 | P | 44 | Very low | 38.1 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 72% | 0.721 | 72% | 0.72 | S | S | * | * | 0 | 0 | 0 | 34.4 | -5.4 | 0 | 0 | 0 | 112 | |||||
| 856 | S | 33.7 | Very low | 38.1 | Very low | 121 Ų | 121 | 121.7 Ų | 121.7 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | 0 | 0 | 0 | -100.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 857 | S | 36.7 | Very low | 38.1 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | 0 | 123.5 | 0 | 117.8 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 858 | S | 39 | Very low | 38.1 | Very low | 90 Ų | 90 | 127.1 Ų | 127.1 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | 80 | 130.2 | 88.8 | 61 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 859 | D | 40.5 | Very low | 38.2 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 68% | 0.684 | 74% | 0.736 | S | S | * | * | 131.3 | 0 | 105.5 | -84.4 | -33.7 | 0 | 0 | 0 | 109.6 | |||||
| 860 | M | 48.2 | Very low | 38.4 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 70% | 0.704 | 73% | 0.73 | S | S | * | * | 0 | 0 | 0 | -66 | -71.1 | 172.3 | 0 | 0 | 109.6 | |||||
| 861 | D | 45 | Very low | 38.6 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 65% | 0.647 | 75% | 0.745 | S | S | * | * | 0 | 124.5 | 0 | -81.1 | -37.9 | 0 | 0 | 0 | 109.8 | |||||
| 862 | D | 46.3 | Very low | 38.7 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 68% | 0.684 | 75% | 0.749 | S | S | * | * | 126.3 | 118.3 | 103.6 | -83.7 | -50.2 | 0 | 0 | 0 | 109.5 | |||||
| 863 | N | 39.3 | Very low | 39 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | 83.3 | 117 | 96.1 | -103.4 | -20 | 0 | 0 | 0 | 110.6 | |||||
| 864 | D | 41.4 | Very low | 39.2 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | 117 | 117 | 104.5 | -108.4 | -39.2 | 0 | 0 | 0 | 109.5 | |||||
| 865 | E | 36.7 | Very low | 39.7 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | 112.7 | 109.1 | 104.3 | -163.7 | 129.2 | 122.1 | 0 | 0 | 109.7 | |||||
| 866 | S | 36 | Very low | 39.8 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | 114.5 | 0 | 110.2 | -69.2 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 867 | G | 36.8 | Very low | 40.3 | Very low | 80 Ų | 80 | 144 Ų | 144 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 868 | R | 37.4 | Very low | 40.9 | Very low | 229 Ų | 229 | 145.5 Ų | 145.5 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | 0 | 0 | 0 | -117.7 | -173.5 | -131.8 | -126.9 | 0.4 | 109.6 | |||||
| 869 | R | 38.1 | Very low | 41.3 | Very low | 221 Ų | 221 | 149.3 Ų | 149.3 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | 0 | 0 | 0 | -80.4 | -169.4 | -177.4 | -159.3 | 0.2 | 110.2 | |||||
| 870 | H | 38.4 | Very low | 41.9 | Very low | 152 Ų | 152 | 149.2 Ų | 149.2 | 70% | 0.704 | 75% | 0.753 | S | S | * | * | 0 | 0 | 0 | -106 | -74.1 | 0 | 0 | 0 | 110.6 | |||||
| 871 | R | 40.2 | Very low | 42.3 | Very low | 232 Ų | 232 | 148.3 Ų | 148.3 | 88% | 0.875 | 75% | 0.751 | S | S | * | * | 0 | 0 | 0 | -115.9 | -178.6 | -166.6 | 164.1 | -0.8 | 110 | |||||
| 872 | N | 36.6 | Very low | 42.8 | Very low | 152 Ų | 152 | 148 Ų | 148 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | 0 | 0 | 0 | -96 | 1.1 | 0 | 0 | 0 | 110.5 | |||||
| 873 | I | 37.2 | Very low | 42.9 | Very low | 146 Ų | 146 | 151.7 Ų | 151.7 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | 0 | 0 | 0 | -81.4 | 155.5 | 0 | 0 | 0 | 109.2 | |||||
| 874 | V | 40.7 | Very low | 43 | Very low | 118 Ų | 118 | 154.8 Ų | 154.8 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | 0 | 0 | 0 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 875 | K | 41.5 | Very low | 43 | Very low | 198 Ų | 198 | 157 Ų | 157 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | 0 | 0 | 0 | -98.6 | 178.9 | 179.3 | 171.1 | 0 | 110.2 | |||||
| 876 | V | 46.1 | Very low | 42.9 | Very low | 112 Ų | 112 | 159.2 Ų | 159.2 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | 0 | 0 | 0 | -129.3 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 877 | D | 44.3 | Very low | 43.1 | Very low | 144 Ų | 144 | 158.8 Ų | 158.8 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | 0 | 0 | 0 | -78.2 | -46.5 | 0 | 0 | 0 | 109.5 | |||||
| 878 | D | 49.2 | Very low | 43.6 | Very low | 141 Ų | 141 | 160.9 Ų | 160.9 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | 0 | 0 | 0 | -111.7 | -68.1 | 0 | 0 | 0 | 110.4 | |||||
| 879 | E | 48.1 | Very low | 43.7 | Very low | 169 Ų | 169 | 156.7 Ų | 156.7 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | 0 | 0 | 0 | -69.9 | -155 | 131.1 | 0 | 0 | 109.5 | |||||
| 880 | D | 52 | Low | 43.5 | Very low | 126 Ų | 126 | 157.2 Ų | 157.2 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | 0 | 0 | 0 | -89.6 | -50.7 | 0 | 0 | 0 | 109.5 | |||||
| 881 | D | 56.8 | Low | 43.5 | Very low | 125 Ų | 125 | 154.8 Ų | 154.8 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | 0 | 0 | 0 | -115.5 | -50.8 | 0 | 0 | 0 | 109.4 | |||||
| 882 | D | 55.8 | Low | 43.4 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | 0 | 0 | 0 | -86 | -27.6 | 0 | 0 | 0 | 109.6 | |||||
| 883 | R | 47.8 | Very low | 43.4 | Very low | 205 Ų | 205 | 146 Ų | 146 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | 0 | 0 | 0 | -85.6 | -171.3 | 175.7 | 165.1 | -0.7 | 109.8 | |||||
| 884 | R | 42.7 | Very low | 43.4 | Very low | 195 Ų | 195 | 144.1 Ų | 144.1 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | 0 | 0 | 0 | -86.6 | -175 | -174.3 | -140.6 | 0.7 | 109.9 | |||||
| 885 | F | 40 | Very low | 43.2 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | 0 | 0 | 0 | -107.8 | -85.9 | 0 | 0 | 0 | 109.1 | |||||
| 886 | R | 36.4 | Very low | 42.9 | Very low | 205 Ų | 205 | 143.6 Ų | 143.6 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | 0 | 0 | 0 | -104.5 | -173.8 | -163.5 | -113.7 | 1.5 | 110 | |||||
| 887 | S | 39.7 | Very low | 43 | Very low | 103 Ų | 103 | 146.4 Ų | 146.4 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | 0 | 0 | 0 | -55.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 888 | P | 47.7 | Very low | 42.7 | Very low | 124 Ų | 124 | 149.2 Ų | 149.2 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | 0 | 0 | 0 | 32.7 | -2.8 | 0 | 0 | 0 | 112.2 | |||||
| 889 | T | 37.5 | Very low | 42.1 | Very low | 140 Ų | 140 | 148.1 Ų | 148.1 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | 0 | 0 | 0 | 45.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 890 | R | 35.9 | Very low | 41.7 | Very low | 232 Ų | 232 | 146.1 Ų | 146.1 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | 0 | 0 | 0 | -131 | 174 | 136.7 | -140.9 | -0.3 | 109.5 | |||||
| 891 | S | 36.8 | Very low | 41 | Very low | 101 Ų | 101 | 143.9 Ų | 143.9 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | 0 | 0 | 0 | 47 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 892 | G | 37.9 | Very low | 40.2 | Very low | 74 Ų | 74 | 142.8 Ų | 142.8 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 893 | S | 37.2 | Very low | 39.2 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | 0 | 0 | 0 | -100.5 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 894 | S | 37 | Very low | 38.7 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | 0 | 0 | 0 | 75.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 895 | N | 36.7 | Very low | 38.6 | Very low | 149 Ų | 149 | 135 Ų | 135 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | 0 | 0 | 0 | -94.5 | -12.9 | 0 | 0 | 0 | 110.4 | |||||
| 896 | K | 36.3 | Very low | 38.3 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 67% | 0.674 | 80% | 0.798 | S | S | * | * | 0 | 0 | 0 | -125.1 | 173.1 | 175.6 | 165.1 | 0 | 110.1 | |||||
| 897 | D | 47.7 | Very low | 38.5 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 92% | 0.92 | 80% | 0.8 | S | S | * | * | 0 | 0 | 0 | -90.8 | -26.3 | 0 | 0 | 0 | 109.2 | |||||
| 898 | R | 37.1 | Very low | 38.4 | Very low | 202 Ų | 202 | 139.8 Ų | 139.8 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | 0 | 0 | 0 | -76 | -169.2 | 162.1 | -169.7 | 0.3 | 111.9 | |||||
| 899 | T | 38.1 | Very low | 37.7 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | 0 | 0 | 0 | 33.8 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 900 | S | 38.3 | Very low | 37.9 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | 0 | 0 | 0 | 56.1 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 901 | G | 37.7 | Very low | 38 | Very low | 80 Ų | 80 | 137.8 Ų | 137.8 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 902 | A | 39.2 | Very low | 37.8 | Very low | 101 Ų | 101 | 143 Ų | 143 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 903 | S | 35.2 | Very low | 37.7 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | 0 | 0 | 0 | -78.9 | 0 | 0 | 0 | 0 | 110 | |||||
| 904 | S | 38 | Very low | 38.1 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | 0 | 0 | 0 | -86.1 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 905 | T | 40.6 | Very low | 38 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 0 | 0 | 0 | 60.3 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 906 | M | 33.7 | Very low | 37.8 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | 0 | 0 | 0 | -74.1 | -117.3 | -129.3 | 0 | 0 | 109.9 | |||||
| 907 | L | 40.2 | Very low | 37.7 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | 0 | 0 | 0 | -76.8 | 164.1 | 0 | 0 | 0 | 109.3 | |||||
| 908 | R | 36.8 | Very low | 36.9 | Very low | 247 Ų | 247 | 143.1 Ų | 143.1 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | 0 | 0 | 0 | -93.8 | -170.3 | -162.7 | -143.4 | 0.5 | 109.8 | |||||
| 909 | R | 34.2 | Very low | 36.9 | Very low | 231 Ų | 231 | 139.7 Ų | 139.7 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | 0 | 0 | 0 | -125.2 | 170.4 | -171.2 | -156.7 | 0.9 | 110.5 | |||||
| 910 | P | 40.7 | Very low | 36.6 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | 0 | 0 | 0 | 23.3 | -0.5 | 0 | 0 | 0 | 111.9 | |||||
| 911 | P | 38.1 | Very low | 36.4 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 64% | 0.643 | 81% | 0.813 | S | S | * | * | 0 | 0 | 0 | 34 | -5.5 | 0 | 0 | 0 | 111.9 | |||||
| 912 | F | 32.6 | Very low | 36.2 | Very low | 209 Ų | 209 | 140 Ų | 140 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | 0 | 0 | 0 | -78.4 | -78.2 | 0 | 0 | 0 | 109 | |||||
| 913 | A | 36.6 | Very low | 35.9 | Very low | 87 Ų | 87 | 140.3 Ų | 140.3 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 914 | P | 44.9 | Very low | 35.8 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | 0 | 0 | 0 | 25.7 | -5.3 | 0 | 0 | 0 | 111.7 | |||||
| 915 | P | 35.9 | Very low | 35.6 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | 0 | 0 | 0 | 33 | -4.6 | 0 | 0 | 0 | 111.8 | |||||
| 916 | L | 31.2 | Very low | 35.2 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | 0 | 0 | 0 | -70.5 | 164.2 | 0 | 0 | 0 | 111.4 | |||||
| 917 | N | 34.6 | Very low | 35.1 | Very low | 164 Ų | 164 | 137 Ų | 137 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | 0 | 0 | 0 | -109.4 | 28.1 | 0 | 0 | 0 | 110.1 | |||||
| 918 | T | 31.7 | Very low | 34.9 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | 0 | 0 | 0 | 37.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 919 | S | 36 | Very low | 34.7 | Very low | 130 Ų | 130 | 130 Ų | 130 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | 0 | 0 | 0 | -45.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 920 | G | 31.6 | Very low | 34.8 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 921 | S | 35 | Very low | 34.4 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | 0 | 0 | 0 | 30.9 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 922 | I | 32.8 | Very low | 34.1 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | 0 | 0 | 0 | -60.1 | 174.7 | 0 | 0 | 0 | 108.6 | |||||
| 923 | S | 34.4 | Very low | 33.9 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | 0 | 0 | 0 | 46.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 924 | N | 31.6 | Very low | 33.6 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | 0 | 132.5 | 0 | -94 | 0.9 | 0 | 0 | 0 | 111.5 | |||||
| 925 | S | 35.2 | Very low | 32.7 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | 149.4 | 0 | 108.7 | 47.6 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 926 | S | 32.2 | Very low | 32.3 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | 0 | 0 | 0 | -0.7 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 927 | A | 31.5 | Very low | 32.1 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 928 | A | 35.7 | Very low | 31.9 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | 0 | 115.7 | 0 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 929 | N | 31.6 | Very low | 31.9 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | 32.3 | 0 | 107.6 | -91.3 | -8.1 | 0 | 0 | 0 | 111.6 | |||||
| 930 | D | 35.8 | Very low | 31.6 | Very low | 163 Ų | 163 | 122.3 Ų | 122.3 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | 0 | 0 | 0 | -86.8 | -23.5 | 0 | 0 | 0 | 109.1 | |||||
| 931 | R | 33.1 | Very low | 31.6 | Very low | 233 Ų | 233 | 122.6 Ų | 122.6 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | 0 | 0 | 0 | -79.3 | -174.3 | 134.8 | 170.6 | 0.6 | 111.3 | |||||
| 932 | N | 32.2 | Very low | 31.6 | Very low | 152 Ų | 152 | 122.6 Ų | 122.6 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | 0 | 0 | 0 | -99.7 | 7.4 | 0 | 0 | 0 | 110.1 | |||||
| 933 | S | 29 | Very low | 31.5 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | 0 | 0 | 0 | -93.5 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 934 | L | 29 | Very low | 31.2 | Very low | 156 Ų | 156 | 123.1 Ų | 123.1 | 82% | 0.817 | 73% | 0.725 | S | S | * | * | 0 | 0 | 0 | -93.4 | 122.6 | 0 | 0 | 0 | 109.6 | |||||
| 935 | S | 26.5 | Very low | 31.1 | Very low | 94 Ų | 94 | 119.8 Ų | 119.8 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | 0 | 107.4 | 0 | -48.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 936 | T | 27.4 | Very low | 30.9 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | 120.8 | 108.2 | 132.5 | -47.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 937 | A | 27.8 | Very low | 30.8 | Very low | 78 Ų | 78 | 124 Ų | 124 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | 69.5 | 112.4 | 119.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 938 | T | 29.6 | Very low | 30.8 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 54% | 0.54 | 73% | 0.728 | S | S | . | * | 141.6 | 109 | 121.2 | -1.5 | 0 | 0 | 0 | 0 | 109.3 | L940 | T938-L940 HydrophobicContact CG2-CD1 3.44Å; T938-L940 VanDerWaalsContact CG2-CD1 3.44Å | |||
| 939 | N | 32.3 | Very low | 30.4 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | -166.9 | 99.7 | 128.1 | -82 | -34 | 0 | 0 | 0 | 109.7 | |||||
| 940 | L | 29.9 | Very low | 30.2 | Very low | 58 Ų | 58 | 129 Ų | 129 | 30% | 0.304 | 72% | 0.724 | S | S | . | * | 27.4 | 0 | 89.9 | -84.8 | 142.4 | 0 | 0 | 0 | 111.2 | T938 L1152 | T938-L940 HydrophobicContact CG2-CD1 3.44Å; T938-L940 VanDerWaalsContact CG2-CD1 3.44Å; L940-L1152 HydrophobicContact CB-CD2 3.63Å; L940-L1152 HydrophobicContact CD1-CD2 4.01Å; L940-L1152 HydrophobicContact CD2-CD2 4.13Å; L940-L1152 HydrophobicContact CG-CD2 4.15Å | |||
| 941 | F | 31.6 | Very low | 29.8 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 33% | 0.333 | 72% | 0.718 | S | S | . | * | 0 | 0 | 0 | -86.8 | -79.6 | 0 | 0 | 0 | 108.9 | L1152 T1156 | F941-L1152 HydrophobicContact CD1-CD2 4.03Å; F941-L1152 HydrophobicContact CD1-CG 4.34Å; F941-L1152 HydrophobicContact CD2-CD1 4.17Å; F941-L1152 HydrophobicContact CD2-CD2 3.24Å; F941-L1152 HydrophobicContact CD2-CG 3.71Å; F941-L1152 HydrophobicContact CE1-CB 4.01Å; F941-L1152 HydrophobicContact CE1-CD2 3.15Å; F941-L1152 HydrophobicContact CE1-CG 3.23Å; F941-L1152 HydrophobicContact CE2-CB 3.78Å; F941-L1152 HydrophobicContact CE2-CD1 2.88Å; F941-L1152 HydrophobicContact CE2-CD2 2.05Å; F941-L1152 HydrophobicContact CE2-CG 2.31Å; F941-L1152 HydrophobicContact CG-CD2 4.05Å; F941-L1152 VanDerWaalsContact CZ-C 3.41Å; F941-L1152 HydrophobicContact CZ-CB 3Å; F941-L1152 HydrophobicContact CZ-CD1 3.14Å; F941-L1152 HydrophobicContact CZ-CD2 1.98Å; F941-L1152 CovalentContact CZ-CG 1.91Å; F941-L1152 HydrophobicContact CZ-CG 1.91Å; F941-L1152 WeakPolarHBondContact CZ-O 3.44Å; F941-T1156 HydrophobicContact CD1-CG2 3.3Å; F941-T1156 HydrophobicContact CD2-CG2 4.01Å; F941-T1156 HydrophobicContact CE1-CG2 3.15Å; F941-T1156 HydrophobicContact CE2-CG2 3.88Å; F941-T1156 HydrophobicContact CG-CG2 3.74Å; F941-T1156 HydrophobicContact CZ-CG2 3.46Å; F941-T1156 VanDerWaalsContact CZ-CG2 3.46Å | |||
| 942 | S | 33.5 | Very low | 29.6 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | 0 | 0 | 0 | -68.6 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 943 | H | 32.1 | Very low | 29.5 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 58% | 0.583 | 72% | 0.716 | S | S | * | * | 0 | 0 | 0 | -74.7 | -72.2 | 0 | 0 | 0 | 110.3 | |||||
| 944 | T | 28.3 | Very low | 29.4 | Very low | 146 Ų | 146 | 123.8 Ų | 123.8 | 90% | 0.896 | 72% | 0.72 | S | S | * | * | 0 | 93.9 | 0 | 24.5 | 0 | 0 | 0 | 0 | 109 | |||||
| 945 | G | 29.3 | Very low | 29.5 | Very low | 73 Ų | 73 | 122.4 Ų | 122.4 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | trans | -164.9 | 85.3 | 137.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 946 | Q | 31.1 | Very low | 29.6 | Very low | 144 Ų | 144 | 124 Ų | 124 | 67% | 0.673 | 73% | 0.729 | S | S | * | * | 45.3 | 72.2 | 126.2 | -66.7 | -171.5 | 1.9 | 0 | 0 | 111.1 | |||||
| 947 | N | 30 | Very low | 29.7 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | -135.6 | 71.7 | 151.9 | -84.9 | -30.9 | 0 | 0 | 0 | 109.9 | ||||
| 948 | L | 30.7 | Very low | 29.9 | Very low | 165 Ų | 165 | 124.9 Ų | 124.9 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | trans | -86.5 | 100.1 | 159.1 | -89.4 | 129.8 | 0 | 0 | 0 | 109.8 | ||||
| 949 | F | 27.8 | Very low | 29.8 | Very low | 183 Ų | 183 | 129 Ų | 129 | 80% | 0.803 | 74% | 0.741 | S | S | * | * | 50.4 | 95.8 | 105.9 | -77 | -77.8 | 0 | 0 | 0 | 110.6 | |||||
| 950 | S | 27.8 | Very low | 29.7 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -127.9 | 0 | 136.1 | -114.2 | 0 | 0 | 0 | 0 | 109.7 | C952 | S950-C952 PolarHBondContact O-N 3.38Å; S950-C952 VanDerWaalsContact O-N 3.13Å | ||
| 951 | P | 25.9 | Very low | 29.8 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | 0 | 86.3 | 0 | 21.1 | 2.3 | 0 | 0 | 0 | 111.7 | N953 | P951-N953 PolarHBondContact O-N 3.4Š| |||
| 952 | C | 29.1 | Very low | 29.9 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 86% | 0.858 | 78% | 0.782 | S | S | * | * | trans | -65.3 | 84.2 | 173.3 | 16.9 | 0 | 0 | 0 | 0 | 110.1 | S950 | S950-C952 PolarHBondContact O-N 3.38Å; S950-C952 VanDerWaalsContact O-N 3.13Å | ||
| 953 | N | 30.9 | Very low | 29.8 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -18.8 | 97 | 131.2 | -91.2 | 6.2 | 0 | 0 | 0 | 112.1 | P951 S955 | P951-N953 PolarHBondContact O-N 3.4Å; N953-S955 PolarHBondContact O-N 3.17Å | ||
| 954 | D | 27.8 | Very low | 29.9 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | 6.4 | 83.8 | 131.3 | -95.6 | -24 | 0 | 0 | 0 | 111.6 | V956 | D954-V956 PolarHBondContact O-N 2.25Š| ||
| 955 | S | 30.7 | Very low | 30.2 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -16.3 | 0 | 158.5 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | N953 | N953-S955 PolarHBondContact O-N 3.17Š| ||
| 956 | V | 28.7 | Very low | 30.5 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | 0 | 93.4 | 0 | 167.2 | 0 | 0 | 0 | 0 | 108.5 | D954 | D954-V956 PolarHBondContact O-N 2.25Š| |||
| 957 | V | 28.9 | Very low | 30.6 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -170.7 | 107.3 | 146.8 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 958 | T | 31.6 | Very low | 30.8 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 63% | 0.632 | 79% | 0.794 | S | S | * | * | 110.5 | 0 | 90.5 | -45.3 | 0 | 0 | 0 | 0 | 109.4 | N960 | T958-N960 PolarHBondContact O-N 3.18Š| |||
| 959 | M | 28.1 | Very low | 30.9 | Very low | 175 Ų | 175 | 128.2 Ų | 128.2 | 86% | 0.862 | 79% | 0.788 | S | S | * | * | 0 | 88.7 | 0 | -62.9 | -93.1 | 177.7 | 0 | 0 | 111.3 | |||||
| 960 | N | 30.5 | Very low | 31.3 | Very low | 153 Ų | 153 | 125.2 Ų | 125.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -92.9 | 82.3 | 157.5 | -92.2 | 7.4 | 0 | 0 | 0 | 110.2 | T958 | T958-N960 PolarHBondContact O-N 3.18Š| ||
| 961 | S | 31.9 | Very low | 31.7 | Very low | 96 Ų | 96 | 126.3 Ų | 126.3 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | trans | -84 | 102.5 | 154.5 | 19.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 962 | S | 33.1 | Very low | 32.1 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -66.7 | 94.4 | 153.7 | -49 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 963 | V | 32.3 | Very low | 32.3 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -90.9 | 112.1 | 153.6 | -74.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 964 | N | 34.4 | Very low | 32.3 | Very low | 160 Ų | 160 | 129 Ų | 129 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -115.9 | 0 | 150.5 | -105.5 | 14.4 | 0 | 0 | 0 | 110.3 | ||||
| 965 | S | 34.2 | Very low | 32.4 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | 0 | 0 | 0 | -48.6 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 966 | G | 34.2 | Very low | 32.3 | Very low | 65 Ų | 65 | 124.8 Ų | 124.8 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | 0 | 110.3 | 0 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 967 | T | 34.5 | Very low | 32.3 | Very low | 143 Ų | 143 | 124.2 Ų | 124.2 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | 109.7 | 0 | 85.5 | 48.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 968 | S | 33.4 | Very low | 32.5 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | 0 | 110.9 | 0 | -61.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 969 | S | 33.8 | Very low | 32.5 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | 108.6 | 114.1 | 79.6 | -58.3 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 970 | T | 36.4 | Very low | 33.1 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | 142.2 | 115.4 | 96.6 | 43.7 | 0 | 0 | 0 | 0 | 109 | |||||
| 971 | N | 34.8 | Very low | 33 | Very low | 133 Ų | 133 | 123.3 Ų | 123.3 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | 94.3 | 116.7 | 86.6 | -84.7 | -8.6 | 0 | 0 | 0 | 110.7 | |||||
| 972 | N | 34.9 | Very low | 32.9 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | 116.9 | 116.9 | 92.4 | -97.5 | -1.4 | 0 | 0 | 0 | 110.4 | |||||
| 973 | R | 33.1 | Very low | 32.8 | Very low | 196 Ų | 196 | 123.8 Ų | 123.8 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | 108.8 | 0 | 89.6 | -87.7 | -173.2 | -172.9 | -156.4 | 0.6 | 109.9 | |||||
| 974 | L | 31.6 | Very low | 32.9 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | 0 | 115.7 | 0 | -87.2 | 144.5 | 0 | 0 | 0 | 109.5 | |||||
| 975 | S | 29.6 | Very low | 32.8 | Very low | 123 Ų | 123 | 121.4 Ų | 121.4 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | 87 | 119.4 | 94.5 | -103.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 976 | G | 27.6 | Very low | 32.6 | Very low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | 132.5 | 108.6 | 111.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 977 | S | 30.5 | Very low | 32.6 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | 68.1 | 119.1 | 112.4 | -137.1 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 978 | I | 31.8 | Very low | 32.4 | Very low | 157 Ų | 157 | 126.7 Ų | 126.7 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | 155.6 | 105.4 | 128.3 | -60.9 | 176.7 | 0 | 0 | 0 | 107.9 | |||||
| 979 | H | 32.5 | Very low | 32.3 | Very low | 176 Ų | 176 | 125.9 Ų | 125.9 | 82% | 0.815 | 75% | 0.746 | S | S | * | * | trans | 22.6 | 160.6 | 134.2 | -97 | -77.4 | 0 | 0 | 0 | 111.5 | ||||
| 980 | P | 40.7 | Very low | 32.2 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 60% | 0.604 | 74% | 0.744 | S | S | * | * | cis | -142.6 | 152.7 | -40.3 | 34.6 | -5.5 | 0 | 0 | 0 | 112 | ||||
| 981 | T | 27.3 | Very low | 31.9 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 68% | 0.681 | 75% | 0.745 | S | S | * | * | 114.1 | 118.8 | 124 | 53.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 982 | T | 30.9 | Very low | 31.7 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | 93.3 | 120.7 | 114.7 | 42.3 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 983 | S | 30.4 | Very low | 31.6 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | 113.4 | 115.4 | 115.9 | 57.3 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 984 | N | 33.5 | Very low | 31.6 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | 83.3 | 125.3 | 111.8 | -98 | -1.6 | 0 | 0 | 0 | 110.5 | |||||
| 985 | A | 32.9 | Very low | 31.5 | Very low | 80 Ų | 80 | 124.3 Ų | 124.3 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | 103.2 | 120 | 106.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 986 | N | 30.8 | Very low | 31.6 | Very low | 146 Ų | 146 | 123 Ų | 123 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | 122 | 0 | 117.6 | -94.2 | -9 | 0 | 0 | 0 | 110 | |||||
| 987 | L | 34.7 | Very low | 31.8 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | 0 | 109.8 | 0 | -85 | 149 | 0 | 0 | 0 | 108.9 | |||||
| 988 | S | 29.4 | Very low | 31.9 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | 2.3 | 130.7 | 119.6 | -64.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 989 | S | 30.7 | Very low | 32 | Very low | 93 Ų | 93 | 126.7 Ų | 126.7 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | 106.1 | 127.9 | 103 | 70.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 990 | H | 32.2 | Very low | 32.1 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | 126.1 | 128 | 112.9 | -81.2 | -68.4 | 0 | 0 | 0 | 109.6 | |||||
| 991 | F | 29.6 | Very low | 32 | Very low | 172 Ų | 172 | 125.1 Ų | 125.1 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | 100.1 | 130.4 | 111.1 | -85.9 | -79 | 0 | 0 | 0 | 109.3 | |||||
| 992 | I | 31.2 | Very low | 32.5 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | 159.5 | 123.1 | 115.5 | -61.2 | -176.6 | 0 | 0 | 0 | 107.9 | |||||
| 993 | S | 31.8 | Very low | 32.7 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | -3.1 | 0 | 121.3 | -84.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 994 | S | 33.5 | Very low | 32.9 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | 0 | 0 | 0 | -57.6 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 995 | G | 29.1 | Very low | 32.8 | Very low | 80 Ų | 80 | 124.4 Ų | 124.4 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | 0 | 120.8 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 996 | A | 32.2 | Very low | 32.8 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | 37.1 | 0 | 121.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 997 | L | 32.9 | Very low | 33 | Very low | 181 Ų | 181 | 124.1 Ų | 124.1 | 95% | 0.948 | 76% | 0.756 | S | S | * | * | 0 | 114.9 | 0 | -72.1 | 148.5 | 0 | 0 | 0 | 108.8 | |||||
| 998 | S | 31.5 | Very low | 33.2 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -40.5 | 0 | 137.6 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 999 | S | 35 | Very low | 33.5 | Very low | 124 Ų | 124 | 119.5 Ų | 119.5 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | 0 | 113.1 | 0 | -29.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1000 | N | 34 | Very low | 33.8 | Very low | 150 Ų | 150 | 123.6 Ų | 123.6 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | 20 | 0 | 107.5 | -136.4 | 16.9 | 0 | 0 | 0 | 112.3 | |||||
| 1001 | S | 38.3 | Very low | 33.9 | Very low | 85 Ų | 85 | 121.2 Ų | 121.2 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | 0 | 0 | 0 | 49.9 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 1002 | N | 38.6 | Very low | 34.2 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | 0 | 130.9 | 0 | -77.3 | -19.7 | 0 | 0 | 0 | 110.1 | |||||
| 1003 | N | 35.3 | Very low | 34.4 | Very low | 131 Ų | 131 | 119.7 Ų | 119.7 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | 123.7 | 129 | 92.7 | -96.9 | -9.4 | 0 | 0 | 0 | 110.4 | |||||
| 1004 | V | 34.3 | Very low | 34.6 | Very low | 102 Ų | 102 | 120.1 Ų | 120.1 | 62% | 0.618 | 76% | 0.761 | S | S | * | * | 94.4 | 126.2 | 69.1 | 170.3 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 1005 | V | 31.2 | Very low | 34.7 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | 173 | 0 | 110.4 | 168 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 1006 | T | 32.5 | Very low | 35 | Very low | 103 Ų | 103 | 127 Ų | 127 | 63% | 0.632 | 76% | 0.759 | S | S | * | * | 0 | 125.8 | 0 | 6.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1007 | T | 34.4 | Very low | 35.3 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | 107.6 | 0 | 86.7 | 37 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1008 | P | 40.1 | Very low | 36 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | 0 | 0 | 0 | 34.8 | -4.7 | 0 | 0 | 0 | 112 | |||||
| 1009 | G | 34.4 | Very low | 36.7 | Very low | 66 Ų | 66 | 125 Ų | 125 | 68% | 0.68 | 72% | 0.723 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1010 | M | 36.9 | Very low | 37.5 | Very low | 178 Ų | 178 | 124.6 Ų | 124.6 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | 0 | 0 | 0 | 42.2 | -177.5 | 71.1 | 0 | 0 | 109 | |||||
| 1011 | S | 34.9 | Very low | 38.5 | Very low | 96 Ų | 96 | 121.8 Ų | 121.8 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | 0 | 128.1 | 0 | 15.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1012 | T | 36.4 | Very low | 39.5 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | 80.7 | 0 | 92.8 | 44.6 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1013 | L | 36.3 | Very low | 40.2 | Very low | 159 Ų | 159 | 125 Ų | 125 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | 0 | 0 | 0 | -71.8 | 171.4 | 0 | 0 | 0 | 109.5 | |||||
| 1014 | P | 35.9 | Very low | 41 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 76% | 0.76 | 69% | 0.688 | S | S | * | * | 0 | 0 | 0 | 33.7 | -4.5 | 0 | 0 | 0 | 112 | |||||
| 1015 | R | 34.5 | Very low | 41.8 | Very low | 249 Ų | 249 | 119.2 Ų | 119.2 | 94% | 0.94 | 68% | 0.677 | S | S | * | * | 0 | 0 | 0 | -116.4 | 171.3 | 163.9 | 166.7 | -0.4 | 111.3 | |||||
| 1016 | S | 34.4 | Very low | 42.9 | Very low | 99 Ų | 99 | 115.8 Ų | 115.8 | 69% | 0.692 | 66% | 0.662 | S | S | * | * | 0 | 0 | 0 | 58.3 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1017 | H | 38.7 | Very low | 44 | Very low | 182 Ų | 182 | 113.6 Ų | 113.6 | 84% | 0.843 | 66% | 0.655 | S | S | * | * | 0 | 0 | 0 | -84.1 | -78 | 0 | 0 | 0 | 109.3 | |||||
| 1018 | L | 47.6 | Very low | 44.8 | Very low | 106 Ų | 106 | 111 Ų | 111 | 56% | 0.555 | 65% | 0.645 | S | S | * | * | 0 | 0 | 0 | -76.3 | 152.4 | 0 | 0 | 0 | 109.7 | R1023 | L1018-R1023 PolarHBondContact O-NE 2.93Å; L1018-R1023 PolarHBondContact O-NH2 2.95Å | |||
| 1019 | P | 47.1 | Very low | 45.6 | Very low | 64 Ų | 64 | 109.4 Ų | 109.4 | 42% | 0.416 | 63% | 0.633 | S | S | . | * | 0 | 0 | 0 | 2.8 | 6.5 | 0 | 0 | 0 | 111.8 | N1021 K1022 | P1019-N1021 PolarHBondContact O-N 2.73Å; P1019-K1022 PolarHBondContact O-N 2.48Å | |||
| 1020 | P | 52.4 | Low | 46.5 | Very low | 115 Ų | 115 | 109.5 Ų | 109.5 | 75% | 0.747 | 63% | 0.628 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -11.6 | 14.6 | 0 | 0 | 0 | 111.7 | |||
| 1021 | N | 53.8 | Low | 47.3 | Very low | 91 Ų | 91 | 104.9 Ų | 104.9 | 49% | 0.487 | 62% | 0.618 | S | S | . | * | H | α-helix | 0 | 1.3 | 0 | 81.3 | -9.6 | 0 | 0 | 0 | 110.6 | P1019 | P1019-N1021 PolarHBondContact O-N 2.73Å | |
| 1022 | K | 58.9 | Low | 47.7 | Very low | 125 Ų | 125 | 104.2 Ų | 104.2 | 54% | 0.543 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -127.4 | 0 | 179.6 | -86.9 | -174.9 | -175.3 | -179.5 | 0 | 109.8 | P1019 A1026 | P1019-K1022 PolarHBondContact O-N 2.48Å; K1022-A1026 WeakPolarHBondContact O-CB 2.78Å; K1022-A1026 PolarHBondContact O-N 2.95Å; K1022-A1026 VanDerWaalsContact O-N 3.11Å |
| 1023 | R | 53.4 | Low | 48.2 | Very low | 149 Ų | 149 | 104.8 Ų | 104.8 | 56% | 0.562 | 62% | 0.616 | S | S | * | * | H | α-helix | 0 | -16.9 | 0 | -96.1 | -178.3 | -147 | -142.8 | 3.2 | 110.5 | L1018 A1027 | L1018-R1023 PolarHBondContact O-NE 2.93Å; L1018-R1023 PolarHBondContact O-NH2 2.95Å; R1023-A1027 WeakPolarHBondContact O-CA 3.42Å; R1023-A1027 WeakPolarHBondContact O-CB 2.95Å; R1023-A1027 PolarHBondContact O-N 3.39Å | |
| 1024 | A | 52.5 | Low | 48.4 | Very low | 65 Ų | 65 | 103.2 Ų | 103.2 | 54% | 0.537 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -100.3 | -21.4 | -179 | 0 | 0 | 0 | 0 | 0 | 110.2 | A1028 | A1024-A1028 WeakPolarHBondContact O-CB 3.07Å; A1024-A1028 PolarHBondContact O-N 3.45Å |
| 1025 | A | 52.2 | Low | 48.6 | Very low | 47 Ų | 47 | 108.8 Ų | 108.8 | 39% | 0.388 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -92.9 | -24.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | T1029 | A1025-T1029 VanDerWaalsContact C-OG1 3.28Å; A1025-T1029 WeakPolarHBondContact O-CB 3.4Å; A1025-T1029 PolarHBondContact O-N 3.18Å; A1025-T1029 PolarHBondContact O-OG1 3.11Å |
| 1026 | A | 53.4 | Low | 48.8 | Very low | 58 Ų | 58 | 103.1 Ų | 103.1 | 48% | 0.479 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -89.6 | 0 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | K1022 A1030 | K1022-A1026 WeakPolarHBondContact O-CB 2.78Å; K1022-A1026 PolarHBondContact O-N 2.95Å; K1022-A1026 VanDerWaalsContact O-N 3.11Å; A1026-A1030 WeakPolarHBondContact O-CB 2.65Å; A1026-A1030 PolarHBondContact O-N 3.39Å; A1026-A1030 VanDerWaalsContact O-N 3.09Å |
| 1027 | A | 54.8 | Low | 48.8 | Very low | 58 Ų | 58 | 102.8 Ų | 102.8 | 48% | 0.479 | 60% | 0.6 | S | S | . | * | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.3 | R1023 A1031 | R1023-A1027 WeakPolarHBondContact O-CA 3.42Å; R1023-A1027 WeakPolarHBondContact O-CB 2.95Å; R1023-A1027 PolarHBondContact O-N 3.39Å; A1027-A1031 WeakPolarHBondContact O-CB 3.25Å; A1027-A1031 PolarHBondContact O-N 3.32Å | |
| 1028 | A | 52.9 | Low | 48.6 | Very low | 61 Ų | 61 | 100.8 Ų | 100.8 | 50% | 0.504 | 60% | 0.6 | S | S | . | * | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.1 | A1024 A1032 | A1024-A1028 WeakPolarHBondContact O-CB 3.07Å; A1024-A1028 PolarHBondContact O-N 3.45Å; A1028-A1032 PolarHBondContact O-N 3.23Å | |
| 1029 | T | 56.8 | Low | 47.8 | Very low | 90 Ų | 90 | 99.6 Ų | 99.6 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -39.9 | 0 | 0 | 0 | 0 | 109.5 | A1025 | A1025-T1029 VanDerWaalsContact C-OG1 3.28Å; A1025-T1029 WeakPolarHBondContact O-CB 3.4Å; A1025-T1029 PolarHBondContact O-N 3.18Å; A1025-T1029 PolarHBondContact O-OG1 3.11Å | |
| 1030 | A | 52.6 | Low | 47 | Very low | 69 Ų | 69 | 100.4 Ų | 100.4 | 57% | 0.57 | 63% | 0.633 | S | S | * | * | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.8 | A1026 | A1026-A1030 WeakPolarHBondContact O-CB 2.65Å; A1026-A1030 PolarHBondContact O-N 3.39Å; A1026-A1030 VanDerWaalsContact O-N 3.09Å | |
| 1031 | A | 53.1 | Low | 46 | Very low | 81 Ų | 81 | 99 Ų | 99 | 67% | 0.669 | 64% | 0.641 | S | S | * | * | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.7 | A1027 | A1027-A1031 WeakPolarHBondContact O-CB 3.25Å; A1027-A1031 PolarHBondContact O-N 3.32Å | |
| 1032 | A | 43.7 | Very low | 45 | Very low | 81 Ų | 81 | 98.3 Ų | 98.3 | 67% | 0.669 | 66% | 0.655 | S | S | * | * | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.4 | A1028 | A1028-A1032 PolarHBondContact O-N 3.23Å | |
| 1033 | L | 48 | Very low | 43.5 | Very low | 134 Ų | 134 | 99.5 Ų | 99.5 | 70% | 0.702 | 67% | 0.667 | S | S | * | * | S | Bend | 0 | 0 | 0 | -69.4 | 174 | 0 | 0 | 0 | 109.2 | |||
| 1034 | N | 40.4 | Very low | 42.2 | Very low | 126 Ų | 126 | 98.9 Ų | 98.9 | 67% | 0.674 | 68% | 0.675 | S | S | * | * | 0 | 60 | 0 | -113.4 | -13.4 | 0 | 0 | 0 | 109.8 | |||||
| 1035 | R | 39.4 | Very low | 40.9 | Very low | 235 Ų | 235 | 101.4 Ų | 101.4 | 89% | 0.887 | 68% | 0.683 | S | S | * | * | S | Bend | -84.6 | 84.2 | 127.3 | -117.7 | -175.7 | 133.8 | -171.4 | 0.7 | 110.5 | |||
| 1036 | D | 39.6 | Very low | 39.7 | Very low | 130 Ų | 130 | 103.9 Ų | 103.9 | 70% | 0.695 | 70% | 0.698 | S | S | * | * | 99.6 | 86.2 | 109.2 | -78.9 | -28.3 | 0 | 0 | 0 | 109.9 | |||||
| 1037 | S | 34.5 | Very low | 38.3 | Very low | 91 Ų | 91 | 107.8 Ų | 107.8 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | -2.3 | 116 | 99.2 | -81.7 | 0 | 0 | 0 | 0 | 112 | |||||
| 1038 | V | 33.1 | Very low | 37 | Very low | 140 Ų | 140 | 112.8 Ų | 112.8 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | 90.6 | 106.2 | 85.7 | 169.8 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1039 | G | 31.9 | Very low | 35.7 | Very low | 82 Ų | 82 | 115.4 Ų | 115.4 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | trans | -128.9 | 112.2 | 140.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1040 | G | 29.7 | Very low | 34.3 | Very low | 80 Ų | 80 | 117 Ų | 117 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | 76 | 0 | 84.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1041 | G | 32.2 | Very low | 33.3 | Very low | 87 Ų | 87 | 120.8 Ų | 120.8 | 90% | 0.897 | 75% | 0.745 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1042 | G | 32.4 | Very low | 32.3 | Very low | 76 Ų | 76 | 125.7 Ų | 125.7 | 78% | 0.784 | 75% | 0.746 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1043 | N | 27.8 | Very low | 32 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | 0 | 0 | 0 | -76.7 | -14.5 | 0 | 0 | 0 | 110.9 | |||||
| 1044 | D | 25.2 | Very low | 31.3 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | 0 | 0 | 0 | -86.5 | -28.5 | 0 | 0 | 0 | 109.7 | |||||
| 1045 | V | 26 | Very low | 31.1 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | 0 | 115.6 | 0 | 172.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1046 | S | 26.2 | Very low | 30.6 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | 31.2 | 113.5 | 125.4 | -16 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1047 | N | 23.7 | Very low | 30 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | 114.2 | 0 | 126.8 | -118.7 | 6.3 | 0 | 0 | 0 | 110.3 | |||||
| 1048 | E | 27.6 | Very low | 30.1 | Very low | 163 Ų | 163 | 124.9 Ų | 124.9 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | 0 | 0 | 0 | -81.5 | -156.7 | 122.4 | 0 | 0 | 110.1 | |||||
| 1049 | T | 26.9 | Very low | 30.2 | Very low | 116 Ų | 116 | 123 Ų | 123 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | 0 | 0 | 0 | -37.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1050 | N | 25.8 | Very low | 30.1 | Very low | 122 Ų | 122 | 127 Ų | 127 | 65% | 0.652 | 75% | 0.75 | S | S | * | * | 0 | 0 | 0 | -97.2 | -27.9 | 0 | 0 | 0 | 110.6 | |||||
| 1051 | Q | 31.5 | Very low | 30.1 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | 0 | 109.2 | 0 | -98.4 | 179.8 | 46.1 | 0 | 0 | 110.8 | |||||
| 1052 | R | 32.1 | Very low | 29.9 | Very low | 183 Ų | 183 | 129.8 Ų | 129.8 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | 140.1 | 121.2 | 73.2 | -86.9 | -174.4 | -179.2 | -116 | -1.5 | 109.3 | |||||
| 1053 | Q | 38 | Very low | 29.8 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 72% | 0.715 | 72% | 0.724 | S | S | * | * | 81.8 | 106.8 | 108 | -85.1 | -177.3 | 6.2 | 0 | 0 | 110.3 | |||||
| 1054 | A | 32.7 | Very low | 29.9 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | 137 | 111.7 | 116.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1055 | S | 36.8 | Very low | 30.4 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | 36.4 | 100.3 | 96.1 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1056 | V | 29.3 | Very low | 31.1 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 83% | 0.83 | 72% | 0.722 | S | S | * | * | -144.3 | 0 | 127 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1057 | K | 26.8 | Very low | 31.9 | Very low | 185 Ų | 185 | 127.7 Ų | 127.7 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | 0 | 0 | 0 | -85.2 | -179.7 | -179.5 | -178.8 | 0 | 110.7 | |||||
| 1058 | S | 36.4 | Very low | 32.8 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | 0 | 0 | 0 | -94.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1059 | P | 35 | Very low | 33.4 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 66% | 0.656 | 72% | 0.72 | S | S | * | * | 0 | 132.3 | 0 | 34.1 | -5.9 | 0 | 0 | 0 | 112 | |||||
| 1060 | E | 30.6 | Very low | 34 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | 45.3 | 106.2 | 98.9 | -105.2 | -172.3 | 143.7 | 0 | 0 | 111.3 | |||||
| 1061 | I | 29.7 | Very low | 34.6 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 72% | 0.723 | 72% | 0.721 | S | S | * | * | 169.7 | 97.2 | 119.6 | -63.7 | 169.3 | 0 | 0 | 0 | 108.2 | V1063 | I1061-V1063 HydrophobicContact CG2-CG2 4.35Š| |||
| 1062 | S | 26.6 | Very low | 34.9 | Very low | 84 Ų | 84 | 133.6 Ų | 133.6 | 59% | 0.587 | 72% | 0.722 | S | S | * | * | 63.3 | 102.9 | 93.9 | 40.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 1063 | V | 30.3 | Very low | 35.2 | Very low | 108 Ų | 108 | 135 Ų | 135 | 66% | 0.655 | 73% | 0.733 | S | S | * | * | 141.8 | 97 | 114.3 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | I1061 | I1061-V1063 HydrophobicContact CG2-CG2 4.35Š| |||
| 1064 | T | 30.4 | Very low | 35.2 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | 60.7 | 105.5 | 102.4 | 56.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1065 | S | 36.9 | Very low | 35.6 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | 136.9 | 108.1 | 108.8 | 51.7 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 1066 | S | 39.6 | Very low | 35.8 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | 43.7 | 151 | 107.9 | -124.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1067 | P | 44 | Very low | 36.2 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | cis | 172.7 | 0 | 5.8 | 34.4 | -5.7 | 0 | 0 | 0 | 112.1 | ||||
| 1068 | R | 42.5 | Very low | 37 | Very low | 210 Ų | 210 | 132.2 Ų | 132.2 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | 0 | 0 | 0 | -98.4 | -176.9 | 165.5 | -160.6 | -1.2 | 110 | |||||
| 1069 | K | 40.4 | Very low | 37 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | 0 | 0 | 0 | -84.4 | -175.7 | -173.7 | -177.3 | 0 | 110.5 | |||||
| 1070 | Q | 38.6 | Very low | 36.9 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | 0 | 0 | 0 | -81.2 | -144.3 | -27.5 | 0 | 0 | 109.9 | |||||
| 1071 | L | 37.7 | Very low | 37.7 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 60% | 0.602 | 74% | 0.735 | S | S | * | * | 0 | 0 | 0 | -169.6 | 66.9 | 0 | 0 | 0 | 109.6 | |||||
| 1072 | H | 38.3 | Very low | 37.9 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | 0 | 0 | 0 | -76.8 | -4.7 | 0 | 0 | 0 | 109.7 | |||||
| 1073 | K | 38.7 | Very low | 38.7 | Very low | 213 Ų | 213 | 138.1 Ų | 138.1 | 93% | 0.926 | 75% | 0.751 | S | S | * | * | 0 | 0 | 0 | -153.8 | 118.2 | 179.9 | 177.5 | 0 | 109.7 | |||||
| 1074 | G | 37.4 | Very low | 39.5 | Very low | 60 Ų | 60 | 137.7 Ų | 137.7 | 62% | 0.619 | 75% | 0.75 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1075 | I | 41.9 | Very low | 40.3 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | 0 | 0 | 0 | -71 | 162.5 | 0 | 0 | 0 | 108.3 | |||||
| 1076 | Q | 40.6 | Very low | 41 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | 0 | 108.5 | 0 | -84.2 | 178.7 | 42.8 | 0 | 0 | 109.4 | |||||
| 1077 | T | 38.3 | Very low | 41.7 | Very low | 128 Ų | 128 | 140 Ų | 140 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 1.9 | 152.6 | 135.7 | 49.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1078 | P | 44.2 | Very low | 42.3 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | cis | -177.2 | 137.4 | 43 | 34.3 | -4.9 | 0 | 0 | 0 | 111.9 | ||||
| 1079 | A | 35.8 | Very low | 42.3 | Very low | 89 Ų | 89 | 145.8 Ų | 145.8 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | 113.5 | 100.8 | 122.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1080 | S | 33.2 | Very low | 42 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | 77 | 94 | 108.6 | -111.9 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1081 | M | 46.8 | Very low | 41.5 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | trans | 151.5 | 90.6 | 132.8 | -102.1 | -176.6 | 112.6 | 0 | 0 | 109 | ||||
| 1082 | E | 34 | Very low | 42.2 | Very low | 176 Ų | 176 | 145 Ų | 145 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | 52.1 | 0 | 117.6 | -67.6 | -154.9 | 154.7 | 0 | 0 | 110.8 | |||||
| 1083 | M | 43.1 | Very low | 43.5 | Very low | 165 Ų | 165 | 147 Ų | 147 | 81% | 0.813 | 84% | 0.841 | S | S | * | * | 0 | 0 | 0 | -79.6 | -64.5 | -63.9 | 0 | 0 | 109.2 | |||||
| 1084 | P | 47.7 | Very low | 44.9 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 65% | 0.649 | 84% | 0.836 | S | S | * | * | 0 | 0 | 0 | 32.9 | -2.8 | 0 | 0 | 0 | 112 | |||||
| 1085 | T | 45.9 | Very low | 46.9 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 88% | 0.877 | 84% | 0.839 | S | S | * | * | 0 | 0 | 0 | 38.3 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1086 | S | 52.3 | Low | 48.7 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 89% | 0.888 | 85% | 0.845 | S | S | * | * | 0 | 0 | 0 | 169 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1087 | S | 54.9 | Low | 50.6 | Low | 109 Ų | 109 | 151.8 Ų | 151.8 | 76% | 0.762 | 85% | 0.847 | S | S | * | * | 0 | 0 | 0 | 81 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1088 | Q | 55.7 | Low | 52.5 | Low | 216 Ų | 216 | 152.2 Ų | 152.2 | 100% | 1.009 | 84% | 0.84 | S | S | * | * | 0 | 0 | 0 | -85.4 | 179.2 | 11.3 | 0 | 0 | 109.7 | |||||
| 1089 | Q | 42.4 | Very low | 54.4 | Low | 212 Ų | 212 | 149.2 Ų | 149.2 | 99% | 0.991 | 83% | 0.825 | S | S | * | * | 0 | 0 | 0 | -111.3 | -175.1 | -43.9 | 0 | 0 | 109.9 | |||||
| 1090 | P | 35.4 | Very low | 56.8 | Low | 162 Ų | 162 | 152.4 Ų | 152.4 | 100% | 1.052 | 83% | 0.825 | S | S | * | * | 0 | 0 | 0 | 34.4 | -5.5 | 0 | 0 | 0 | 112.1 | |||||
| 1091 | C | 27.5 | Very low | 59.3 | Low | 175 Ų | 175 | 157.2 Ų | 157.2 | 100% | 1.182 | 83% | 0.826 | S | S | * | * | 0 | 0 | 0 | 173.8 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1092 | S | 52.7 | Low | 61 | Low | 97 Ų | 97 | 154.2 Ų | 154.2 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | 0 | 0 | 0 | 61 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1093 | Q | 65 | Low | 63.6 | Low | 197 Ų | 197 | 149.7 Ų | 149.7 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | G | 310 helix | 0 | -12.9 | 0 | -78 | -172.5 | 13.1 | 0 | 0 | 110.8 | K1095 | Q1093-K1095 PolarHBondContact O-N 2.97Š| |
| 1094 | C | 69.1 | Low | 65.8 | Low | 122 Ų | 122 | 144.8 Ų | 144.8 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -79.5 | 24.3 | 164.2 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1095 | K | 78.2 | Confident | 67.7 | Low | 160 Ų | 160 | 142.7 Ų | 142.7 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -119.9 | -21.8 | -174.3 | -93.4 | -174.5 | -177.9 | 178.4 | 0 | 110 | Q1093 | Q1093-K1095 PolarHBondContact O-N 2.97Š|
| 1096 | E | 80.6 | Confident | 69.8 | Low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -94.6 | -35.5 | -170.5 | -93.6 | 178.2 | -175.9 | 0 | 0 | 110.4 | E1098 A1099 | E1096-E1098 VanDerWaalsContact C-N 3.25Å; E1096-E1098 PolarHBondContact O-N 3.14Å; E1096-A1099 WeakPolarHBondContact O-CB 3.38Å; E1096-A1099 PolarHBondContact O-N 3.46Å; E1096-A1099 VanDerWaalsContact O-N 3.13Å |
| 1097 | R | 79.4 | Confident | 71.7 | Confident | 227 Ų | 227 | 139.1 Ų | 139.1 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -69.3 | -31 | 175.6 | -89.8 | -175.2 | -166.4 | -134 | 0.3 | 111 | A1099 | R1097-A1099 PolarHBondContact O-N 3.13Å; R1097-A1099 VanDerWaalsContact O-N 3.12Å |
| 1098 | E | 79.3 | Confident | 73.3 | Confident | 136 Ų | 136 | 138.4 Ų | 138.4 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -69.9 | -11.3 | 172.7 | -163.1 | 168.4 | -174.7 | 0 | 0 | 111.2 | E1096 | E1096-E1098 VanDerWaalsContact C-N 3.25Å; E1096-E1098 PolarHBondContact O-N 3.14Å |
| 1099 | A | 83.5 | Confident | 74.9 | Confident | 55 Ų | 55 | 133.3 Ų | 133.3 | 46% | 0.455 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -92.8 | -35.6 | -178 | 0 | 0 | 0 | 0 | 0 | 110.6 | E1096 R1097 L1102 | E1096-A1099 WeakPolarHBondContact O-CB 3.38Å; E1096-A1099 PolarHBondContact O-N 3.46Å; E1096-A1099 VanDerWaalsContact O-N 3.13Å; R1097-A1099 PolarHBondContact O-N 3.13Å; R1097-A1099 VanDerWaalsContact O-N 3.12Å; A1099-L1102 WeakPolarHBondContact O-CB 3.34Å; A1099-L1102 PolarHBondContact O-N 3.43Å |
| 1100 | E | 86.4 | Confident | 77.3 | Confident | 155 Ų | 155 | 132.2 Ų | 132.2 | 72% | 0.724 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -74.7 | -38 | -179.7 | -152.4 | 168.9 | -179.9 | 0 | 0 | 111.2 | L1102 T1103 | E1100-L1102 PolarHBondContact O-N 3.01Å; E1100-L1102 VanDerWaalsContact O-N 3.17Å; E1100-T1103 PolarHBondContact O-N 3.42Å; E1100-T1103 PolarHBondContact O-OG1 3.05Å |
| 1101 | R | 84.9 | Confident | 79.9 | Confident | 215 Ų | 215 | 127.5 Ų | 127.5 | 81% | 0.811 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -65.1 | -21.8 | 173.9 | -81.2 | -178 | -174.4 | -178.2 | -0.8 | 111.1 | A1105 | R1101-A1105 WeakPolarHBondContact O-CB 3.41Å; R1101-A1105 PolarHBondContact O-N 3.25Å |
| 1102 | L | 83 | Confident | 83 | Confident | 112 Ų | 112 | 125 Ų | 125 | 59% | 0.586 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -81.8 | -25 | 178.3 | -150.2 | 84.6 | 0 | 0 | 0 | 110.7 | A1099 E1100 N1106 | A1099-L1102 WeakPolarHBondContact O-CB 3.34Å; A1099-L1102 PolarHBondContact O-N 3.43Å; E1100-L1102 PolarHBondContact O-N 3.01Å; E1100-L1102 VanDerWaalsContact O-N 3.17Å; L1102-N1106 PolarHBondContact O-N 3.13Å; L1102-N1106 PolarHBondContact O-ND2 3.49Å |
| 1103 | T | 89.3 | Confident | 84.8 | Confident | 81 Ų | 81 | 127.1 Ų | 127.1 | 50% | 0.497 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -82.9 | -42.7 | -179 | 54.7 | 0 | 0 | 0 | 0 | 110.3 | E1100 A1105 N1106 D1107 | E1100-T1103 PolarHBondContact O-N 3.42Å; E1100-T1103 PolarHBondContact O-OG1 3.05Å; T1103-A1105 VanDerWaalsContact C-N 3.3Å; T1103-A1105 PolarHBondContact O-N 3.21Å; T1103-N1106 WeakPolarHBondContact O-CB 3.42Å; T1103-N1106 PolarHBondContact O-N 3.46Å; T1103-N1106 VanDerWaalsContact O-N 3.13Å; T1103-D1107 PolarHBondContact O-N 3.06Å |
| 1104 | A | 89.1 | Confident | 86.1 | Confident | 63 Ų | 63 | 123.2 Ų | 123.2 | 52% | 0.521 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.5 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | N1106 D1107 T1108 | A1104-N1106 PolarHBondContact O-N 3.16Å; A1104-D1107 PolarHBondContact O-N 3.39Å; A1104-T1108 PolarHBondContact O-N 3.13Å |
| 1105 | A | 88.1 | Confident | 87.2 | Confident | 56 Ų | 56 | 123.4 Ų | 123.4 | 46% | 0.463 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.4 | -26.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | R1101 T1103 T1108 K1109 | R1101-A1105 WeakPolarHBondContact O-CB 3.41Å; R1101-A1105 PolarHBondContact O-N 3.25Å; T1103-A1105 VanDerWaalsContact C-N 3.3Å; T1103-A1105 PolarHBondContact O-N 3.21Å; A1105-T1108 PolarHBondContact O-OG1 3.17Å; A1105-K1109 PolarHBondContact O-N 3.01Å |
| 1106 | N | 89.5 | Confident | 87.8 | Confident | 85 Ų | 85 | 120.9 Ų | 120.9 | 46% | 0.455 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -79.4 | -29.6 | 178.8 | -77.9 | -31.5 | 0 | 0 | 0 | 111.4 | L1102 T1103 A1104 K1109 R1110 | L1102-N1106 PolarHBondContact O-N 3.13Å; L1102-N1106 PolarHBondContact O-ND2 3.49Å; T1103-N1106 WeakPolarHBondContact O-CB 3.42Å; T1103-N1106 PolarHBondContact O-N 3.46Å; T1103-N1106 VanDerWaalsContact O-N 3.13Å; A1104-N1106 PolarHBondContact O-N 3.16Å; N1106-K1109 WeakPolarHBondContact O-CB 3.47Å; N1106-K1109 PolarHBondContact O-N 3.1Å; N1106-R1110 PolarHBondContact O-N 3.41Å |
| 1107 | D | 91.1 | Very high | 88.4 | Confident | 110 Ų | 110 | 119.1 Ų | 119.1 | 59% | 0.588 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -75.4 | -37.5 | 179.8 | -74.3 | -14.1 | 0 | 0 | 0 | 111.1 | T1103 A1104 K1109 R1110 A1111 | T1103-D1107 PolarHBondContact O-N 3.06Å; A1104-D1107 PolarHBondContact O-N 3.39Å; D1107-K1109 PolarHBondContact O-N 3.28Å; D1107-R1110 PolarHBondContact O-N 2.91Å; D1107-A1111 PolarHBondContact O-N 3.03Å |
| 1108 | T | 90 | Very high | 89.1 | Confident | 93 Ų | 93 | 114.7 Ų | 114.7 | 57% | 0.571 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.2 | -30 | 174.6 | 54.8 | 0 | 0 | 0 | 0 | 110.5 | A1104 A1105 R1110 L1112 | A1104-T1108 PolarHBondContact O-N 3.13Å; A1105-T1108 PolarHBondContact O-OG1 3.17Å; T1108-R1110 VanDerWaalsContact C-N 3.29Å; T1108-R1110 PolarHBondContact O-N 2.97Å; T1108-L1112 WeakPolarHBondContact O-CG 3.27Å; T1108-L1112 PolarHBondContact O-N 3.3Å |
| 1109 | K | 89.1 | Confident | 89.7 | Confident | 110 Ų | 110 | 114.3 Ų | 114.3 | 48% | 0.478 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.6 | -31.1 | 176.9 | -169.2 | 176.3 | 174.7 | 179.2 | 0 | 110.6 | A1105 N1106 D1107 R1113 | A1105-K1109 PolarHBondContact O-N 3.01Å; N1106-K1109 WeakPolarHBondContact O-CB 3.47Å; N1106-K1109 PolarHBondContact O-N 3.1Å; D1107-K1109 PolarHBondContact O-N 3.28Å; K1109-R1113 VanDerWaalsContact O-CG 3.26Å; K1109-R1113 WeakPolarHBondContact O-CG 3.41Å; K1109-R1113 PolarHBondContact O-N 2.84Å |
| 1110 | R | 92.1 | Very high | 90.1 | Very high | 189 Ų | 189 | 115.3 Ų | 115.3 | 71% | 0.713 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -75.4 | -39.8 | 179.1 | -169.7 | -179.3 | -120.6 | 173.6 | -0.7 | 110.9 | N1106 D1107 T1108 R1113 E1114 | N1106-R1110 PolarHBondContact O-N 3.41Å; D1107-R1110 PolarHBondContact O-N 2.91Å; T1108-R1110 VanDerWaalsContact C-N 3.29Å; T1108-R1110 PolarHBondContact O-N 2.97Å; R1110-R1113 PolarHBondContact O-N 3.46Å; R1110-E1114 PolarHBondContact O-N 2.99Å |
| 1111 | A | 90.8 | Very high | 90.3 | Very high | 62 Ų | 62 | 110.7 Ų | 110.7 | 51% | 0.512 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.8 | -34.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | D1107 R1113 E1114 L1115 | D1107-A1111 PolarHBondContact O-N 3.03Å; A1111-R1113 VanDerWaalsContact C-N 3.25Å; A1111-R1113 PolarHBondContact O-N 3.03Å; A1111-E1114 PolarHBondContact O-N 2.11Å; A1111-L1115 PolarHBondContact O-N 3.12Å |
| 1112 | L | 91.4 | Very high | 90.6 | Very high | 124 Ų | 124 | 106.9 Ų | 106.9 | 65% | 0.649 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.8 | 0 | 176.5 | -78.4 | 175.6 | 0 | 0 | 0 | 110.7 | T1108 E1116 | T1108-L1112 WeakPolarHBondContact O-CG 3.27Å; T1108-L1112 PolarHBondContact O-N 3.3Å; L1112-E1116 WeakPolarHBondContact O-CB 3.35Å; L1112-E1116 PolarHBondContact O-N 3.3Å; L1112-E1116 VanDerWaalsContact O-N 3.15Å |
| 1113 | R | 90.4 | Very high | 91 | Very high | 140 Ų | 140 | 108.3 Ų | 108.3 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | H | α-helix | 0 | -36.6 | 0 | -76.6 | -168.7 | -177.4 | 163 | 1.2 | 110.7 | K1109 R1110 A1111 E1116 E1117 | K1109-R1113 VanDerWaalsContact O-CG 3.26Å; K1109-R1113 WeakPolarHBondContact O-CG 3.41Å; K1109-R1113 PolarHBondContact O-N 2.84Å; R1110-R1113 PolarHBondContact O-N 3.46Å; A1111-R1113 VanDerWaalsContact C-N 3.25Å; A1111-R1113 PolarHBondContact O-N 3.03Å; R1113-E1116 PolarHBondContact O-N 3.28Å; R1113-E1117 PolarHBondContact O-N 3.31Å; R1113-E1117 VanDerWaalsContact O-N 3.17Å | |
| 1114 | E | 92.9 | Very high | 91.1 | Very high | 115 Ų | 115 | 111.3 Ų | 111.3 | 54% | 0.537 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70 | -35.8 | 179.7 | -168.5 | 174.6 | 174.9 | 0 | 0 | 111.2 | R1110 A1111 E1117 K1118 | R1110-E1114 PolarHBondContact O-N 2.99Å; A1111-E1114 PolarHBondContact O-N 2.11Å; E1114-E1117 PolarHBondContact O-N 3.37Å; E1114-K1118 PolarHBondContact O-N 3.32Å |
| 1115 | L | 91.9 | Very high | 91.3 | Very high | 126 Ų | 126 | 115.4 Ų | 115.4 | 66% | 0.66 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.2 | -35.1 | 176.1 | -167.6 | 74.7 | 0 | 0 | 0 | 110.8 | A1111 E1117 K1118 L1119 | A1111-L1115 PolarHBondContact O-N 3.12Å; L1115-E1117 VanDerWaalsContact C-N 3.35Å; L1115-K1118 PolarHBondContact O-N 2.73Å; L1115-L1119 PolarHBondContact O-N 2.74Å |
| 1116 | E | 91.9 | Very high | 91.4 | Very high | 108 Ų | 108 | 119.5 Ų | 119.5 | 51% | 0.505 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65 | -37.4 | 175.3 | -174.8 | 176.5 | -174.9 | 0 | 0 | 110.9 | L1112 R1113 K1118 L1119 I1120 | L1112-E1116 WeakPolarHBondContact O-CB 3.35Å; L1112-E1116 PolarHBondContact O-N 3.3Å; L1112-E1116 VanDerWaalsContact O-N 3.15Å; R1113-E1116 PolarHBondContact O-N 3.28Å; E1116-K1118 PolarHBondContact O-N 3.16Å; E1116-L1119 PolarHBondContact O-N 2.92Å; E1116-I1120 HydrophobicContact CG-CD1 4.08Å; E1116-I1120 VanDerWaalsContact O-CG1 3.24Å; E1116-I1120 WeakPolarHBondContact O-CG1 3.45Å; E1116-I1120 PolarHBondContact O-N 2.83Å |
| 1117 | E | 92.9 | Very high | 91.5 | Very high | 139 Ų | 139 | 121.9 Ų | 121.9 | 65% | 0.65 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.7 | -31 | -179.8 | -82.2 | 178.5 | -176.2 | 0 | 0 | 111 | R1113 E1114 L1115 A1121 | R1113-E1117 PolarHBondContact O-N 3.31Å; R1113-E1117 VanDerWaalsContact O-N 3.17Å; E1114-E1117 PolarHBondContact O-N 3.37Å; L1115-E1117 VanDerWaalsContact C-N 3.35Å; E1117-A1121 PolarHBondContact O-N 2.82Å |
| 1118 | K | 93.4 | Very high | 91.5 | Very high | 135 Ų | 135 | 119.5 Ų | 119.5 | 59% | 0.587 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -76 | -36.7 | 179.1 | -77.4 | -177 | -179.5 | 177.2 | 0 | 110.9 | E1114 L1115 E1116 I1120 Q1122 | E1114-K1118 PolarHBondContact O-N 3.32Å; L1115-K1118 PolarHBondContact O-N 2.73Å; E1116-K1118 PolarHBondContact O-N 3.16Å; K1118-I1120 VanDerWaalsContact C-N 3.33Å; K1118-Q1122 PolarHBondContact O-N 3.5Å |
| 1119 | L | 92.4 | Very high | 91.7 | Very high | 127 Ų | 127 | 118.1 Ų | 118.1 | 67% | 0.665 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.3 | -34.2 | 177.1 | -160.8 | 72.9 | 0 | 0 | 0 | 110.7 | L1115 E1116 F1123 | L1115-L1119 PolarHBondContact O-N 2.74Å; E1116-L1119 PolarHBondContact O-N 2.92Å; L1119-F1123 PolarHBondContact O-N 3.26Å; L1119-F1123 VanDerWaalsContact O-N 3.13Å |
| 1120 | I | 91.2 | Very high | 91.8 | Very high | 77 Ų | 77 | 115.9 Ų | 115.9 | 40% | 0.395 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.4 | -39.9 | 177.4 | -70.8 | 172.5 | 0 | 0 | 0 | 109.3 | E1116 K1118 Q1122 F1123 K1124 | E1116-I1120 HydrophobicContact CG-CD1 4.08Å; E1116-I1120 VanDerWaalsContact O-CG1 3.24Å; E1116-I1120 WeakPolarHBondContact O-CG1 3.45Å; E1116-I1120 PolarHBondContact O-N 2.83Å; K1118-I1120 VanDerWaalsContact C-N 3.33Å; I1120-Q1122 PolarHBondContact O-N 3.17Å; I1120-F1123 PolarHBondContact O-N 3.38Å; I1120-K1124 HydrophobicContact CG2-CD 4.24Å; I1120-K1124 HydrophobicContact CG2-CG 4.44Å; I1120-K1124 WeakPolarHBondContact O-CG 3.06Å; I1120-K1124 PolarHBondContact O-N 3.48Å; I1120-K1124 VanDerWaalsContact O-N 3.1Å |
| 1121 | A | 91.1 | Very high | 91.7 | Very high | 57 Ų | 57 | 112.3 Ų | 112.3 | 47% | 0.471 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.7 | -37.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1117 K1124 E1125 | E1117-A1121 PolarHBondContact O-N 2.82Å; A1121-K1124 PolarHBondContact O-N 2.9Å; A1121-E1125 PolarHBondContact O-N 2.22Å |
| 1122 | Q | 90.9 | Very high | 91.8 | Very high | 135 Ų | 135 | 115.3 Ų | 115.3 | 63% | 0.631 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.5 | -39.7 | 178.1 | -83.4 | -170.4 | -23.1 | 0 | 0 | 111.1 | K1118 I1120 K1124 E1126 | K1118-Q1122 PolarHBondContact O-N 3.5Å; I1120-Q1122 PolarHBondContact O-N 3.17Å; Q1122-K1124 VanDerWaalsContact C-N 3.34Å; Q1122-E1126 PolarHBondContact O-N 3.29Å; Q1122-E1126 VanDerWaalsContact O-N 3.15Å |
| 1123 | F | 92.5 | Very high | 91.8 | Very high | 142 Ų | 142 | 112.1 Ų | 112.1 | 62% | 0.623 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.1 | -33.6 | 178.1 | -167.2 | -101.7 | 0 | 0 | 0 | 110.2 | L1119 I1120 K1127 | L1119-F1123 PolarHBondContact O-N 3.26Å; L1119-F1123 VanDerWaalsContact O-N 3.13Å; I1120-F1123 PolarHBondContact O-N 3.38Å; F1123-K1127 WeakPolarHBondContact O-CB 3.4Å; F1123-K1127 PolarHBondContact O-N 2.71Å |
| 1124 | K | 91 | Very high | 91.9 | Very high | 144 Ų | 144 | 108.2 Ų | 108.2 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71.4 | -37.2 | 179.1 | -76.4 | -175.2 | 179.5 | 178.2 | 0 | 110.8 | I1120 A1121 Q1122 A1128 | I1120-K1124 HydrophobicContact CG2-CD 4.24Å; I1120-K1124 HydrophobicContact CG2-CG 4.44Å; I1120-K1124 WeakPolarHBondContact O-CG 3.06Å; I1120-K1124 PolarHBondContact O-N 3.48Å; I1120-K1124 VanDerWaalsContact O-N 3.1Å; A1121-K1124 PolarHBondContact O-N 2.9Å; Q1122-K1124 VanDerWaalsContact C-N 3.34Å; K1124-A1128 WeakPolarHBondContact O-CB 3.06Å; K1124-A1128 PolarHBondContact O-N 2.85Å |
| 1125 | E | 92.2 | Very high | 91.9 | Very high | 150 Ų | 150 | 107.6 Ų | 107.6 | 70% | 0.701 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -70.4 | -39.9 | 178.8 | -174.6 | 172.4 | -176.6 | 0 | 0 | 111.3 | A1121 A1128 A1129 | A1121-E1125 PolarHBondContact O-N 2.22Å; E1125-A1128 PolarHBondContact O-N 2.75Å; E1125-A1129 PolarHBondContact O-N 3.04Å; E1125-A1129 VanDerWaalsContact O-N 3.12Å |
| 1126 | E | 91.1 | Very high | 92 | Very high | 142 Ų | 142 | 107.2 Ų | 107.2 | 66% | 0.664 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.3 | -39.1 | 177.6 | -167.4 | 176.5 | 173.7 | 0 | 0 | 110.9 | Q1122 A1128 A1129 A1130 | Q1122-E1126 PolarHBondContact O-N 3.29Å; Q1122-E1126 VanDerWaalsContact O-N 3.15Å; E1126-A1128 VanDerWaalsContact C-N 3.33Å; E1126-A1129 PolarHBondContact O-N 3.35Å; E1126-A1130 PolarHBondContact O-N 3.18Å; E1126-A1130 VanDerWaalsContact O-N 3.16Å |
| 1127 | K | 91.3 | Very high | 92.1 | Very high | 135 Ų | 135 | 108.6 Ų | 108.6 | 59% | 0.587 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.4 | -39.4 | 175.2 | -174.3 | 178.2 | 175.3 | 177.5 | 0 | 110.8 | F1123 A1130 L1131 | F1123-K1127 WeakPolarHBondContact O-CB 3.4Å; F1123-K1127 PolarHBondContact O-N 2.71Å; K1127-A1130 PolarHBondContact O-N 2.92Å; K1127-L1131 PolarHBondContact O-N 3.46Å; K1127-L1131 VanDerWaalsContact O-N 3.13Å |
| 1128 | A | 91.9 | Very high | 92 | Very high | 60 Ų | 60 | 105 Ų | 105 | 50% | 0.496 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.9 | -35.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | K1124 E1125 E1126 H1132 | K1124-A1128 WeakPolarHBondContact O-CB 3.06Å; K1124-A1128 PolarHBondContact O-N 2.85Å; E1125-A1128 PolarHBondContact O-N 2.75Å; E1126-A1128 VanDerWaalsContact C-N 3.33Å; A1128-H1132 PolarHBondContact O-N 3.42Å |
| 1129 | A | 93 | Very high | 91.9 | Very high | 64 Ų | 64 | 103.1 Ų | 103.1 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.7 | 0 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | E1125 E1126 S1133 | E1125-A1129 PolarHBondContact O-N 3.04Å; E1125-A1129 VanDerWaalsContact O-N 3.12Å; E1126-A1129 PolarHBondContact O-N 3.35Å; A1129-S1133 PolarHBondContact O-N 2.9Å |
| 1130 | A | 92.2 | Very high | 91.9 | Very high | 62 Ų | 62 | 99.3 Ų | 99.3 | 51% | 0.512 | 54% | 0.542 | S | S | . | . | H | α-helix | 0 | -34.2 | 0 | 0 | 0 | 0 | 0 | 0 | 110.6 | E1126 K1127 A1134 | E1126-A1130 PolarHBondContact O-N 3.18Å; E1126-A1130 VanDerWaalsContact O-N 3.16Å; K1127-A1130 PolarHBondContact O-N 2.92Å; A1130-A1134 WeakPolarHBondContact O-CB 3.38Å; A1130-A1134 PolarHBondContact O-N 3.21Å | |
| 1131 | L | 90.2 | Very high | 92 | Very high | 114 Ų | 114 | 99.4 Ų | 99.4 | 60% | 0.597 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.1 | -37.3 | 178.1 | -82.1 | 177.4 | 0 | 0 | 0 | 110.7 | K1127 A1134 L1135 | K1127-L1131 PolarHBondContact O-N 3.46Å; K1127-L1131 VanDerWaalsContact O-N 3.13Å; L1131-A1134 PolarHBondContact O-N 3.47Å; L1131-L1135 WeakPolarHBondContact O-CB 3.18Å; L1131-L1135 PolarHBondContact O-N 3.25Å |
| 1132 | H | 91.6 | Very high | 92 | Very high | 126 Ų | 126 | 99.2 Ų | 99.2 | 58% | 0.583 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.2 | -42.3 | 178.4 | -173.3 | -95.2 | 0 | 0 | 0 | 111.1 | A1128 L1135 E1136 | A1128-H1132 PolarHBondContact O-N 3.42Å; H1132-L1135 PolarHBondContact O-N 2.66Å; H1132-E1136 PolarHBondContact O-N 2.97Å; H1132-E1136 VanDerWaalsContact O-N 3.13Å |
| 1133 | S | 92.1 | Very high | 92 | Very high | 57 Ų | 57 | 100.6 Ų | 100.6 | 40% | 0.399 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.3 | 0 | 177.7 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | A1129 E1136 Q1137 | A1129-S1133 PolarHBondContact O-N 2.9Å; S1133-E1136 PolarHBondContact O-N 3.39Å; S1133-Q1137 PolarHBondContact O-N 3.23Å; S1133-Q1137 VanDerWaalsContact O-N 3.14Å |
| 1134 | A | 92.2 | Very high | 91.9 | Very high | 57 Ų | 57 | 100.4 Ų | 100.4 | 47% | 0.471 | 55% | 0.548 | S | S | . | . | H | α-helix | 0 | -32.3 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | A1130 L1131 A1138 | A1130-A1134 WeakPolarHBondContact O-CB 3.38Å; A1130-A1134 PolarHBondContact O-N 3.21Å; L1131-A1134 PolarHBondContact O-N 3.47Å; A1134-A1138 WeakPolarHBondContact O-CB 3.17Å; A1134-A1138 PolarHBondContact O-N 3.2Å | |
| 1135 | L | 94 | Very high | 91.8 | Very high | 102 Ų | 102 | 96 Ų | 96 | 53% | 0.534 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -74 | -38.6 | 179 | -173.7 | 108.6 | 0 | 0 | 0 | 110.2 | L1131 H1132 A1138 Q1139 | L1131-L1135 WeakPolarHBondContact O-CB 3.18Å; L1131-L1135 PolarHBondContact O-N 3.25Å; H1132-L1135 PolarHBondContact O-N 2.66Å; L1135-A1138 PolarHBondContact O-N 3.46Å; L1135-Q1139 WeakPolarHBondContact O-CB 3.12Å; L1135-Q1139 VanDerWaalsContact O-CG 3.22Å; L1135-Q1139 WeakPolarHBondContact O-CG 3.16Å; L1135-Q1139 PolarHBondContact O-N 3.28Å |
| 1136 | E | 93.9 | Very high | 91.8 | Very high | 119 Ų | 119 | 94.4 Ų | 94.4 | 56% | 0.556 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.3 | -37.7 | 178.2 | -169.4 | 177.4 | 173.2 | 0 | 0 | 111.3 | H1132 S1133 Q1139 A1140 | H1132-E1136 PolarHBondContact O-N 2.97Å; H1132-E1136 VanDerWaalsContact O-N 3.13Å; S1133-E1136 PolarHBondContact O-N 3.39Å; E1136-Q1139 PolarHBondContact O-N 3.35Å; E1136-A1140 PolarHBondContact O-N 3.11Å; E1136-A1140 VanDerWaalsContact O-N 3.11Å |
| 1137 | Q | 92.2 | Very high | 91.8 | Very high | 137 Ų | 137 | 93.6 Ų | 93.6 | 64% | 0.64 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.2 | -38.4 | 176.6 | -78.3 | 177.5 | 9.6 | 0 | 0 | 110.6 | S1133 Q1139 A1140 S1141 | S1133-Q1137 PolarHBondContact O-N 3.23Å; S1133-Q1137 VanDerWaalsContact O-N 3.14Å; Q1137-Q1139 VanDerWaalsContact C-N 3.3Å; Q1137-A1140 PolarHBondContact O-N 3.26Å; Q1137-S1141 PolarHBondContact O-N 3.01Å |
| 1138 | A | 91.2 | Very high | 91.8 | Very high | 64 Ų | 64 | 92.8 Ų | 92.8 | 53% | 0.529 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.1 | 0 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A1134 L1135 A1142 | A1134-A1138 WeakPolarHBondContact O-CB 3.17Å; A1134-A1138 PolarHBondContact O-N 3.2Å; L1135-A1138 PolarHBondContact O-N 3.46Å; A1138-A1142 WeakPolarHBondContact O-CB 2.79Å; A1138-A1142 PolarHBondContact O-N 3.48Å |
| 1139 | Q | 92.6 | Very high | 91.6 | Very high | 95 Ų | 95 | 94.8 Ų | 94.8 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | H | α-helix | 0 | -35.7 | 0 | -74.7 | -178.3 | -20.3 | 0 | 0 | 110.9 | L1135 E1136 Q1137 A1142 R1143 | L1135-Q1139 WeakPolarHBondContact O-CB 3.12Å; L1135-Q1139 VanDerWaalsContact O-CG 3.22Å; L1135-Q1139 WeakPolarHBondContact O-CG 3.16Å; L1135-Q1139 PolarHBondContact O-N 3.28Å; E1136-Q1139 PolarHBondContact O-N 3.35Å; Q1137-Q1139 VanDerWaalsContact C-N 3.3Å; Q1139-A1142 PolarHBondContact O-N 3.1Å; Q1139-R1143 WeakPolarHBondContact O-CG 3.5Å; Q1139-R1143 PolarHBondContact O-N 3.13Å | |
| 1140 | A | 92.4 | Very high | 91.6 | Very high | 47 Ų | 47 | 99.9 Ų | 99.9 | 39% | 0.388 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.3 | -38.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | E1136 Q1137 R1143 E1144 | E1136-A1140 PolarHBondContact O-N 3.11Å; E1136-A1140 VanDerWaalsContact O-N 3.11Å; Q1137-A1140 PolarHBondContact O-N 3.26Å; A1140-R1143 PolarHBondContact O-N 2.08Å; A1140-E1144 PolarHBondContact O-N 2.92Å |
| 1141 | S | 92 | Very high | 91.6 | Very high | 79 Ų | 79 | 104.1 Ų | 104.1 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.8 | -35 | 178.3 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | Q1137 A1145 | Q1137-S1141 PolarHBondContact O-N 3.01Å; S1141-A1145 PolarHBondContact O-N 2.57Å |
| 1142 | A | 90.6 | Very high | 91.7 | Very high | 52 Ų | 52 | 100.9 Ų | 100.9 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | A1138 Q1139 A1145 I1146 | A1138-A1142 WeakPolarHBondContact O-CB 2.79Å; A1138-A1142 PolarHBondContact O-N 3.48Å; Q1139-A1142 PolarHBondContact O-N 3.1Å; A1142-A1145 PolarHBondContact O-N 2.94Å; A1142-I1146 WeakPolarHBondContact O-CG1 3.01Å; A1142-I1146 PolarHBondContact O-N 3.22Å |
| 1143 | R | 91.7 | Very high | 91.6 | Very high | 165 Ų | 165 | 97.1 Ų | 97.1 | 62% | 0.623 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.8 | -38.5 | 178.8 | -73.9 | -174.8 | -174.8 | 150.8 | 0 | 110.9 | Q1139 A1140 I1146 E1147 | Q1139-R1143 WeakPolarHBondContact O-CG 3.5Å; Q1139-R1143 PolarHBondContact O-N 3.13Å; A1140-R1143 PolarHBondContact O-N 2.08Å; R1143-I1146 PolarHBondContact O-N 2.76Å; R1143-E1147 PolarHBondContact O-N 3.12Å |
| 1144 | E | 90.7 | Very high | 91.6 | Very high | 137 Ų | 137 | 100.2 Ų | 100.2 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.9 | -33.4 | 178.4 | -74.3 | 177.7 | -178.7 | 0 | 0 | 110.7 | A1140 E1147 H1148 | A1140-E1144 PolarHBondContact O-N 2.92Å; E1144-E1147 PolarHBondContact O-N 3.15Å; E1144-H1148 PolarHBondContact O-N 3.21Å |
| 1145 | A | 89.4 | Confident | 91.6 | Very high | 53 Ų | 53 | 102.2 Ų | 102.2 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.6 | -34.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S1141 A1142 H1148 E1149 | S1141-A1145 PolarHBondContact O-N 2.57Å; A1142-A1145 PolarHBondContact O-N 2.94Å; A1145-H1148 PolarHBondContact O-N 3.48Å; A1145-E1149 PolarHBondContact O-N 3.42Å; A1145-E1149 VanDerWaalsContact O-N 3.12Å |
| 1146 | I | 90.6 | Very high | 91.4 | Very high | 115 Ų | 115 | 99.7 Ų | 99.7 | 59% | 0.59 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71.9 | -37.3 | 179.6 | -71.4 | 173.9 | 0 | 0 | 0 | 109.6 | A1142 R1143 E1149 R1150 | A1142-I1146 WeakPolarHBondContact O-CG1 3.01Å; A1142-I1146 PolarHBondContact O-N 3.22Å; R1143-I1146 PolarHBondContact O-N 2.76Å; I1146-E1149 PolarHBondContact O-N 3.49Å; I1146-R1150 PolarHBondContact O-N 3.24Å |
| 1147 | E | 91.1 | Very high | 91.3 | Very high | 126 Ų | 126 | 98.8 Ų | 98.8 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.3 | -35.3 | 178.3 | -81 | 174.7 | -171.8 | 0 | 0 | 111.1 | R1143 E1144 R1150 K1151 | R1143-E1147 PolarHBondContact O-N 3.12Å; E1144-E1147 PolarHBondContact O-N 3.15Å; E1147-R1150 PolarHBondContact O-N 3.36Å; E1147-K1151 PolarHBondContact O-N 3.49Å |
| 1148 | H | 93.1 | Very high | 91.2 | Very high | 118 Ų | 118 | 97.5 Ų | 97.5 | 55% | 0.546 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.4 | -37.4 | 177.7 | -177.3 | -100 | 0 | 0 | 0 | 110.7 | E1144 A1145 K1151 L1152 | E1144-H1148 PolarHBondContact O-N 3.21Å; A1145-H1148 PolarHBondContact O-N 3.48Å; H1148-K1151 PolarHBondContact O-N 3.24Å; H1148-L1152 PolarHBondContact O-N 3.38Å |
| 1149 | E | 87.9 | Confident | 91.2 | Very high | 102 Ų | 102 | 97.1 Ų | 97.1 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71 | 0 | 179.6 | -83.8 | -172 | 175.2 | 0 | 0 | 110.8 | A1145 I1146 L1152 A1153 | A1145-E1149 PolarHBondContact O-N 3.42Å; A1145-E1149 VanDerWaalsContact O-N 3.12Å; I1146-E1149 PolarHBondContact O-N 3.49Å; E1149-L1152 PolarHBondContact O-N 3.44Å; E1149-A1153 PolarHBondContact O-N 3.15Å; E1149-A1153 VanDerWaalsContact O-N 3.08Å |
| 1150 | R | 91.2 | Very high | 91 | Very high | 170 Ų | 170 | 93.8 Ų | 93.8 | 64% | 0.642 | 49% | 0.491 | S | S | * | . | H | α-helix | 0 | -36.9 | 0 | -165.8 | 179.9 | 140.3 | 167.9 | 0.5 | 111.2 | I1146 E1147 A1153 H1154 | I1146-R1150 PolarHBondContact O-N 3.24Å; E1147-R1150 PolarHBondContact O-N 3.36Å; R1150-A1153 PolarHBondContact O-N 3.36Å; R1150-H1154 PolarHBondContact O-N 3.39Å; R1150-H1154 VanDerWaalsContact O-N 3.1Å | |
| 1151 | K | 92.4 | Very high | 90.9 | Very high | 151 Ų | 151 | 97.2 Ų | 97.2 | 66% | 0.657 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70 | -38.1 | 178.2 | -78.7 | -177.8 | -175.1 | -179.5 | 0 | 110.8 | E1147 H1148 H1154 D1155 | E1147-K1151 PolarHBondContact O-N 3.49Å; H1148-K1151 PolarHBondContact O-N 3.24Å; K1151-H1154 PolarHBondContact O-N 3.47Å; K1151-D1155 PolarHBondContact O-N 3.31Å |
| 1152 | L | 93.4 | Very high | 90.9 | Very high | 46 Ų | 46 | 96.5 Ų | 96.5 | 24% | 0.241 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 177.9 | -172.8 | 82.2 | 0 | 0 | 0 | 110.5 | L940 F941 H1148 E1149 D1155 T1156 | L940-L1152 HydrophobicContact CB-CD2 3.63Å; L940-L1152 HydrophobicContact CD1-CD2 4.01Å; L940-L1152 HydrophobicContact CD2-CD2 4.13Å; L940-L1152 HydrophobicContact CG-CD2 4.15Å; F941-L1152 HydrophobicContact CD1-CD2 4.03Å; F941-L1152 HydrophobicContact CD1-CG 4.34Å; F941-L1152 HydrophobicContact CD2-CD1 4.17Å; F941-L1152 HydrophobicContact CD2-CD2 3.24Å; F941-L1152 HydrophobicContact CD2-CG 3.71Å; F941-L1152 HydrophobicContact CE1-CB 4.01Å; F941-L1152 HydrophobicContact CE1-CD2 3.15Å; F941-L1152 HydrophobicContact CE1-CG 3.23Å; F941-L1152 HydrophobicContact CE2-CB 3.78Å; F941-L1152 HydrophobicContact CE2-CD1 2.88Å; F941-L1152 HydrophobicContact CE2-CD2 2.05Å; F941-L1152 HydrophobicContact CE2-CG 2.31Å; F941-L1152 HydrophobicContact CG-CD2 4.05Å; F941-L1152 VanDerWaalsContact CZ-C 3.41Å; F941-L1152 HydrophobicContact CZ-CB 3Å; F941-L1152 HydrophobicContact CZ-CD1 3.14Å; F941-L1152 HydrophobicContact CZ-CD2 1.98Å; F941-L1152 CovalentContact CZ-CG 1.91Å; F941-L1152 HydrophobicContact CZ-CG 1.91Å; F941-L1152 WeakPolarHBondContact CZ-O 3.44Å; H1148-L1152 PolarHBondContact O-N 3.38Å; E1149-L1152 PolarHBondContact O-N 3.44Å; L1152-D1155 PolarHBondContact O-N 3.48Å; L1152-T1156 WeakPolarHBondContact O-CG2 2.59Å; L1152-T1156 PolarHBondContact O-N 3.2Å; L1152-T1156 VanDerWaalsContact O-N 3.11Å; L1152-T1156 PolarHBondContact O-OG1 3.26Å |
| 1153 | A | 89.3 | Confident | 90.9 | Very high | 48 Ų | 48 | 102.1 Ų | 102.1 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67 | -38.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | E1149 R1150 T1156 L1157 | E1149-A1153 PolarHBondContact O-N 3.15Å; E1149-A1153 VanDerWaalsContact O-N 3.08Å; R1150-A1153 PolarHBondContact O-N 3.36Å; A1153-T1156 VanDerWaalsContact CA-OG1 3.3Å; A1153-T1156 WeakPolarHBondContact CA-OG1 3.35Å; A1153-T1156 PolarHBondContact O-N 3.17Å; A1153-T1156 PolarHBondContact O-OG1 3.34Å; A1153-L1157 PolarHBondContact O-N 3.46Å; A1153-L1157 VanDerWaalsContact O-N 3.12Å |
| 1154 | H | 91.9 | Very high | 90.8 | Very high | 122 Ų | 122 | 101.1 Ų | 101.1 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 176.7 | -177.6 | -90.3 | 0 | 0 | 0 | 111.4 | R1150 K1151 T1156 L1157 E1158 | R1150-H1154 PolarHBondContact O-N 3.39Å; R1150-H1154 VanDerWaalsContact O-N 3.1Å; K1151-H1154 PolarHBondContact O-N 3.47Å; H1154-T1156 VanDerWaalsContact C-N 3.3Å; H1154-T1156 PolarHBondContact O-N 3.3Å; H1154-L1157 PolarHBondContact O-N 3.23Å; H1154-E1158 PolarHBondContact O-N 3.23Å; H1154-E1158 VanDerWaalsContact O-N 3.16Å |
| 1155 | D | 91.3 | Very high | 90.8 | Very high | 99 Ų | 99 | 97.1 Ų | 97.1 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.4 | -34.3 | -180 | -73.2 | -11.8 | 0 | 0 | 0 | 110.8 | K1151 L1152 A1159 | K1151-D1155 PolarHBondContact O-N 3.31Å; L1152-D1155 PolarHBondContact O-N 3.48Å; D1155-A1159 PolarHBondContact O-N 3.47Å |
| 1156 | T | 91.4 | Very high | 90.8 | Very high | 48 Ų | 48 | 100.3 Ų | 100.3 | 29% | 0.294 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.2 | -38.1 | 179.3 | 54.5 | 0 | 0 | 0 | 0 | 110.1 | F941 L1152 A1153 H1154 A1159 A1160 | F941-T1156 HydrophobicContact CD1-CG2 3.3Å; F941-T1156 HydrophobicContact CD2-CG2 4.01Å; F941-T1156 HydrophobicContact CE1-CG2 3.15Å; F941-T1156 HydrophobicContact CE2-CG2 3.88Å; F941-T1156 HydrophobicContact CG-CG2 3.74Å; F941-T1156 HydrophobicContact CZ-CG2 3.46Å; F941-T1156 VanDerWaalsContact CZ-CG2 3.46Å; L1152-T1156 WeakPolarHBondContact O-CG2 2.59Å; L1152-T1156 PolarHBondContact O-N 3.2Å; L1152-T1156 VanDerWaalsContact O-N 3.11Å; L1152-T1156 PolarHBondContact O-OG1 3.26Å; A1153-T1156 VanDerWaalsContact CA-OG1 3.3Å; A1153-T1156 WeakPolarHBondContact CA-OG1 3.35Å; A1153-T1156 PolarHBondContact O-N 3.17Å; A1153-T1156 PolarHBondContact O-OG1 3.34Å; H1154-T1156 VanDerWaalsContact C-N 3.3Å; H1154-T1156 PolarHBondContact O-N 3.3Å; T1156-A1159 PolarHBondContact O-N 3.23Å; T1156-A1160 PolarHBondContact O-N 3.36Å; T1156-A1160 VanDerWaalsContact O-N 3.15Å |
| 1157 | L | 90.3 | Very high | 90.7 | Very high | 100 Ų | 100 | 98.6 Ų | 98.6 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 177.6 | -172.9 | 141.5 | 0 | 0 | 0 | 110.8 | A1153 H1154 A1159 A1160 E1161 | A1153-L1157 PolarHBondContact O-N 3.46Å; A1153-L1157 VanDerWaalsContact O-N 3.12Å; H1154-L1157 PolarHBondContact O-N 3.23Å; L1157-A1159 VanDerWaalsContact C-N 3.32Å; L1157-A1159 PolarHBondContact O-N 3.44Å; L1157-A1160 PolarHBondContact O-N 2.82Å; L1157-E1161 VanDerWaalsContact CD2-CD 3.43Å; L1157-E1161 HydrophobicContact CD2-CG 4.17Å; L1157-E1161 WeakPolarHBondContact CD2-OE1 3.44Å; L1157-E1161 WeakPolarHBondContact O-CG 2.92Å; L1157-E1161 PolarHBondContact O-N 3.46Å |
| 1158 | E | 91.8 | Very high | 90.7 | Very high | 111 Ų | 111 | 97.1 Ų | 97.1 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 177.8 | -173.2 | 174.7 | -170 | 0 | 0 | 111.3 | H1154 A1162 | H1154-E1158 PolarHBondContact O-N 3.23Å; H1154-E1158 VanDerWaalsContact O-N 3.16Å; E1158-A1162 PolarHBondContact O-N 3.36Å |
| 1159 | A | 91.4 | Very high | 90.7 | Very high | 55 Ų | 55 | 94.9 Ų | 94.9 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.8 | -36.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | D1155 T1156 L1157 A1162 R1163 | D1155-A1159 PolarHBondContact O-N 3.47Å; T1156-A1159 PolarHBondContact O-N 3.23Å; L1157-A1159 VanDerWaalsContact C-N 3.32Å; L1157-A1159 PolarHBondContact O-N 3.44Å; A1159-A1162 PolarHBondContact O-N 3.4Å; A1159-R1163 WeakPolarHBondContact O-CG 3.47Å; A1159-R1163 PolarHBondContact O-N 3.33Å |
| 1160 | A | 86.9 | Confident | 90.7 | Very high | 26 Ų | 26 | 95 Ų | 95 | 22% | 0.215 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | T1156 L1157 A1162 R1163 F1164 | T1156-A1160 PolarHBondContact O-N 3.36Å; T1156-A1160 VanDerWaalsContact O-N 3.15Å; L1157-A1160 PolarHBondContact O-N 2.82Å; A1160-A1162 VanDerWaalsContact C-N 3.27Å; A1160-A1162 PolarHBondContact O-N 3.13Å; A1160-R1163 PolarHBondContact O-N 3.49Å; A1160-F1164 HydrophobicContact CB-CE2 4.44Å; A1160-F1164 WeakPolarHBondContact O-CD2 3.39Å; A1160-F1164 PolarHBondContact O-N 3.19Å; A1160-F1164 VanDerWaalsContact O-N 3.09Å |
| 1161 | E | 90.8 | Very high | 90.6 | Very high | 119 Ų | 119 | 90 Ų | 90 | 56% | 0.556 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.7 | -35.4 | 177 | -73.2 | 176.5 | 171.1 | 0 | 0 | 111.3 | L1157 R1163 F1164 A1165 | L1157-E1161 VanDerWaalsContact CD2-CD 3.43Å; L1157-E1161 HydrophobicContact CD2-CG 4.17Å; L1157-E1161 WeakPolarHBondContact CD2-OE1 3.44Å; L1157-E1161 WeakPolarHBondContact O-CG 2.92Å; L1157-E1161 PolarHBondContact O-N 3.46Å; E1161-R1163 VanDerWaalsContact C-N 3.26Å; E1161-R1163 PolarHBondContact O-N 3.46Å; E1161-F1164 PolarHBondContact O-N 3.42Å; E1161-A1165 WeakPolarHBondContact O-CB 3.39Å; E1161-A1165 PolarHBondContact O-N 3.38Å; E1161-A1165 VanDerWaalsContact O-N 3.1Å |
| 1162 | A | 91.4 | Very high | 90.5 | Very high | 63 Ų | 63 | 91.1 Ų | 91.1 | 52% | 0.521 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.9 | -30.9 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | E1158 A1159 A1160 E1166 | E1158-A1162 PolarHBondContact O-N 3.36Å; A1159-A1162 PolarHBondContact O-N 3.4Å; A1160-A1162 VanDerWaalsContact C-N 3.27Å; A1160-A1162 PolarHBondContact O-N 3.13Å; A1162-E1166 PolarHBondContact O-N 3.12Å |
| 1163 | R | 90.4 | Very high | 90.4 | Very high | 170 Ų | 170 | 97.3 Ų | 97.3 | 64% | 0.642 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -75.9 | -36.5 | 179.8 | -72 | -167.1 | -68.6 | -156 | -1 | 110.6 | A1159 A1160 E1161 A1165 E1166 V1167 | A1159-R1163 WeakPolarHBondContact O-CG 3.47Å; A1159-R1163 PolarHBondContact O-N 3.33Å; A1160-R1163 PolarHBondContact O-N 3.49Å; E1161-R1163 VanDerWaalsContact C-N 3.26Å; E1161-R1163 PolarHBondContact O-N 3.46Å; R1163-A1165 VanDerWaalsContact C-N 3.31Å; R1163-E1166 PolarHBondContact O-N 2.89Å; R1163-V1167 WeakPolarHBondContact O-CG2 3.26Å; R1163-V1167 PolarHBondContact O-N 2.74Å |
| 1164 | F | 89.5 | Confident | 90.4 | Very high | 144 Ų | 144 | 101.3 Ų | 101.3 | 63% | 0.632 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.6 | -41.5 | 178.3 | -77.3 | -58.3 | 0 | 0 | 0 | 110.5 | A1160 E1161 E1166 V1167 I1168 | A1160-F1164 HydrophobicContact CB-CE2 4.44Å; A1160-F1164 WeakPolarHBondContact O-CD2 3.39Å; A1160-F1164 PolarHBondContact O-N 3.19Å; A1160-F1164 VanDerWaalsContact O-N 3.09Å; E1161-F1164 PolarHBondContact O-N 3.42Å; F1164-E1166 PolarHBondContact O-N 3.38Å; F1164-V1167 PolarHBondContact O-N 3.38Å; F1164-I1168 WeakPolarHBondContact O-CG1 3.43Å; F1164-I1168 PolarHBondContact O-N 3.07Å; F1164-I1168 VanDerWaalsContact O-N 3.09Å |
| 1165 | A | 90.6 | Very high | 90.3 | Very high | 53 Ų | 53 | 101.9 Ų | 101.9 | 44% | 0.438 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.9 | -36.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1161 R1163 V1167 I1168 V1169 | E1161-A1165 WeakPolarHBondContact O-CB 3.39Å; E1161-A1165 PolarHBondContact O-N 3.38Å; E1161-A1165 VanDerWaalsContact O-N 3.1Å; R1163-A1165 VanDerWaalsContact C-N 3.31Å; A1165-V1167 VanDerWaalsContact C-N 3.33Å; A1165-V1167 PolarHBondContact O-N 3.17Å; A1165-I1168 PolarHBondContact O-N 2.7Å; A1165-V1169 VanDerWaalsContact O-CG2 3.28Å; A1165-V1169 WeakPolarHBondContact O-CG2 3.23Å; A1165-V1169 PolarHBondContact O-N 3.33Å; A1165-V1169 VanDerWaalsContact O-N 3.15Å |
| 1166 | E | 90.8 | Very high | 90.3 | Very high | 120 Ų | 120 | 101.4 Ų | 101.4 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.8 | -36.5 | 178 | -173.6 | 174.4 | -174.3 | 0 | 0 | 111 | A1162 R1163 F1164 I1168 V1169 Q1170 | A1162-E1166 PolarHBondContact O-N 3.12Å; R1163-E1166 PolarHBondContact O-N 2.89Å; F1164-E1166 PolarHBondContact O-N 3.38Å; E1166-I1168 VanDerWaalsContact C-N 3.33Å; E1166-I1168 PolarHBondContact O-N 3.12Å; E1166-V1169 PolarHBondContact O-N 3.13Å; E1166-Q1170 WeakPolarHBondContact O-CG 3.37Å; E1166-Q1170 PolarHBondContact O-N 2.87Å; E1166-Q1170 VanDerWaalsContact O-N 3.08Å |
| 1167 | V | 88.8 | Confident | 90.5 | Very high | 80 Ų | 80 | 99.1 Ų | 99.1 | 49% | 0.485 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72 | -38.3 | -178.4 | 172.6 | 0 | 0 | 0 | 0 | 109.3 | R1163 F1164 A1165 V1169 Q1170 T1171 | R1163-V1167 WeakPolarHBondContact O-CG2 3.26Å; R1163-V1167 PolarHBondContact O-N 2.74Å; F1164-V1167 PolarHBondContact O-N 3.38Å; A1165-V1167 VanDerWaalsContact C-N 3.33Å; A1165-V1167 PolarHBondContact O-N 3.17Å; V1167-V1169 VanDerWaalsContact C-N 3.3Å; V1167-V1169 PolarHBondContact O-N 3.17Å; V1167-Q1170 PolarHBondContact O-N 2.86Å; V1167-T1171 PolarHBondContact O-N 3.48Å; V1167-T1171 PolarHBondContact O-OG1 3.31Å; V1167-T1171 VanDerWaalsContact O-OG1 3.05Å |
| 1168 | I | 90.7 | Very high | 90.5 | Very high | 94 Ų | 94 | 100.7 Ų | 100.7 | 48% | 0.482 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 179 | -73 | 176.2 | 0 | 0 | 0 | 109.9 | F1164 A1165 E1166 Q1170 T1171 K1172 | F1164-I1168 WeakPolarHBondContact O-CG1 3.43Å; F1164-I1168 PolarHBondContact O-N 3.07Å; F1164-I1168 VanDerWaalsContact O-N 3.09Å; A1165-I1168 PolarHBondContact O-N 2.7Å; E1166-I1168 VanDerWaalsContact C-N 3.33Å; E1166-I1168 PolarHBondContact O-N 3.12Å; I1168-Q1170 PolarHBondContact O-N 3.42Å; I1168-T1171 PolarHBondContact O-N 2.99Å; I1168-K1172 HydrophobicContact CG2-CD 4.14Å; I1168-K1172 HydrophobicContact CG2-CG 4.37Å; I1168-K1172 WeakPolarHBondContact O-CG 3.37Å; I1168-K1172 PolarHBondContact O-N 2.87Å |
| 1169 | V | 92.1 | Very high | 90.4 | Very high | 72 Ų | 72 | 97.7 Ų | 97.7 | 44% | 0.436 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 179.6 | 170.4 | 0 | 0 | 0 | 0 | 109.8 | A1165 E1166 V1167 R1173 | A1165-V1169 VanDerWaalsContact O-CG2 3.28Å; A1165-V1169 WeakPolarHBondContact O-CG2 3.23Å; A1165-V1169 PolarHBondContact O-N 3.33Å; A1165-V1169 VanDerWaalsContact O-N 3.15Å; E1166-V1169 PolarHBondContact O-N 3.13Å; V1167-V1169 VanDerWaalsContact C-N 3.3Å; V1167-V1169 PolarHBondContact O-N 3.17Å; V1169-R1173 VanDerWaalsContact O-CG 3.31Å; V1169-R1173 WeakPolarHBondContact O-CG 3.45Å; V1169-R1173 PolarHBondContact O-N 3.3Å |
| 1170 | Q | 89.1 | Confident | 90.4 | Very high | 105 Ų | 105 | 95.4 Ų | 95.4 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.1 | -34.9 | -179.2 | -76.1 | -177.4 | -10.7 | 0 | 0 | 110.6 | E1166 V1167 I1168 | E1166-Q1170 WeakPolarHBondContact O-CG 3.37Å; E1166-Q1170 PolarHBondContact O-N 2.87Å; E1166-Q1170 VanDerWaalsContact O-N 3.08Å; V1167-Q1170 PolarHBondContact O-N 2.86Å; I1168-Q1170 PolarHBondContact O-N 3.42Å |
| 1171 | T | 88.9 | Confident | 90.7 | Very high | 63 Ų | 63 | 95.5 Ų | 95.5 | 39% | 0.387 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -73.4 | -38.6 | -179.3 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | V1167 I1168 R1173 R1174 W1176 | V1167-T1171 PolarHBondContact O-N 3.48Å; V1167-T1171 PolarHBondContact O-OG1 3.31Å; V1167-T1171 VanDerWaalsContact O-OG1 3.05Å; I1168-T1171 PolarHBondContact O-N 2.99Å; T1171-R1173 PolarHBondContact O-N 2.7Å; T1171-R1174 PolarHBondContact O-N 3.4Å; T1171-W1176 HydrophobicContact CG2-CH2 3.56Å; T1171-W1176 HydrophobicContact CG2-CZ2 3.03Å; T1171-W1176 WeakPolarHBondContact O-CZ2 3.45Å; T1171-W1176 PolarHBondContact O-NE1 3.12Å |
| 1172 | K | 90.8 | Very high | 90.6 | Very high | 175 Ų | 175 | 92.9 Ų | 92.9 | 76% | 0.761 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -68.8 | -17.6 | -178.9 | -74.8 | -173.5 | 173.9 | -176.3 | 0 | 111.3 | I1168 R1174 | I1168-K1172 HydrophobicContact CG2-CD 4.14Å; I1168-K1172 HydrophobicContact CG2-CG 4.37Å; I1168-K1172 WeakPolarHBondContact O-CG 3.37Å; I1168-K1172 PolarHBondContact O-N 2.87Å; K1172-R1174 VanDerWaalsContact C-N 3.33Å |
| 1173 | R | 90.7 | Very high | 90.6 | Very high | 176 Ų | 176 | 94.8 Ų | 94.8 | 66% | 0.664 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -5.4 | -178.3 | -76 | -175.3 | 174.2 | 172.6 | 0.1 | 110.5 | V1169 T1171 | V1169-R1173 VanDerWaalsContact O-CG 3.31Å; V1169-R1173 WeakPolarHBondContact O-CG 3.45Å; V1169-R1173 PolarHBondContact O-N 3.3Å; T1171-R1173 PolarHBondContact O-N 2.7Å |
| 1174 | R | 89 | Confident | 90.7 | Very high | 133 Ų | 133 | 87.4 Ų | 87.4 | 50% | 0.502 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -105.5 | 145.8 | -175.1 | -65.3 | -174.2 | 173.3 | -164 | -0.5 | 109.4 | T1171 K1172 W1176 E1183 | T1171-R1174 PolarHBondContact O-N 3.4Å; K1172-R1174 VanDerWaalsContact C-N 3.33Å; R1174-W1176 HydrophobicContact CB-CZ2 4.05Å; R1174-W1176 PolarHBondContact O-NE1 3.39Å; R1174-E1183 IonicContact NH1-OE2 3.49Å |
| 1175 | Q | 88.9 | Confident | 90.8 | Very high | 134 Ų | 134 | 85.8 Ų | 85.8 | 63% | 0.626 | 41% | 0.41 | S | S | * | . | trans | -80.2 | 0 | 171.4 | -62.6 | -70.8 | -27.7 | 0 | 0 | 110.4 | A1184 | Q1175-A1184 HydrophobicContact CB-CB 4.31Å; Q1175-A1184 PolarHBondContact O-N 3.43Å | ||
| 1176 | W | 92.5 | Very high | 90.7 | Very high | 88 Ų | 88 | 88.2 Ų | 88.2 | 33% | 0.333 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | 0 | 0 | 0 | -57 | 93.3 | 0 | 0 | 0 | 109.3 | T1171 R1174 L1181 | T1171-W1176 HydrophobicContact CG2-CH2 3.56Å; T1171-W1176 HydrophobicContact CG2-CZ2 3.03Å; T1171-W1176 WeakPolarHBondContact O-CZ2 3.45Å; T1171-W1176 PolarHBondContact O-NE1 3.12Å; R1174-W1176 HydrophobicContact CB-CZ2 4.05Å; R1174-W1176 PolarHBondContact O-NE1 3.39Å; W1176-L1181 VanDerWaalsContact CE3-O 3.28Å | |
| 1177 | C | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 88.2 Ų | 88.2 | 0% | 0 | 41% | 0.408 | C | S | . | . | 0 | 132 | 0 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | L736 N1179 C1180 L1181 M1182 S1193 C1195 C1199 | L736-C1177 VanDerWaalsContact O-CB 3.22Å; L736-C1177 WeakPolarHBondContact O-CB 3.4Å; C1177-N1179 PolarHBondContact O-N 2.97Å; C1177-N1179 PolarHBondContact SG-N 2.95Å; C1177-N1179 VanDerWaalsContact SG-N 3.35Å; C1177-C1180 VanDerWaalsContact CB-SG 3.56Å; C1177-C1180 PolarHBondContact SG-N 3.14Å; C1177-C1180 PolarHBondContact SG-SG 3.05Å; C1177-L1181 WeakPolarHBondContact O-CA 3.29Å; C1177-L1181 PolarHBondContact O-N 3.38Å; C1177-L1181 VanDerWaalsContact O-N 3.08Å; C1177-M1182 VanDerWaalsContact CB-O 3.3Å; C1177-M1182 WeakPolarHBondContact CB-O 3.48Å; C1177-M1182 PolarHBondContact N-O 2.76Å; C1177-S1193 CarbonylContact C-O 3.59Å; C1177-S1193 WeakPolarHBondContact CA-O 3.3Å; C1177-C1195 HydrophobicContact CB-CB 3.6Å; C1177-C1195 VanDerWaalsContact CB-N 3.34Å; C1177-C1195 PolarHBondContact SG-N 1.89Å; C1177-C1199 VanDerWaalsContact SG-SG 3.66Å | |||
| 1178 | R | 91.4 | Very high | 90.6 | Very high | 133 Ų | 133 | 84.8 Ų | 84.8 | 50% | 0.502 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -26.4 | -177.5 | -173.6 | 75.6 | -170.2 | -138.1 | 0.4 | 110.7 | T1192 S1193 Y1194 | R1178-T1192 HydrophobicContact CB-CG2 4.16Å; R1178-T1192 HydrophobicContact CG-CG2 4.48Å; R1178-S1193 PolarHBondContact N-O 2.69Å; R1178-Y1194 HydrophobicContact CB-CD1 4.41Å; R1178-Y1194 HydrophobicContact CB-CE1 4.06Å |
| 1179 | N | 89.1 | Confident | 90.5 | Very high | 48 Ų | 48 | 81.3 Ų | 81.3 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -42.5 | -174.8 | -174.5 | 48 | 0 | 0 | 0 | 110.7 | L736 C1177 C1199 E1202 H1203 | L736-N1179 WeakPolarHBondContact CD1-O 3.25Å; C1177-N1179 PolarHBondContact O-N 2.97Å; C1177-N1179 PolarHBondContact SG-N 2.95Å; C1177-N1179 VanDerWaalsContact SG-N 3.35Å; N1179-C1199 HydrophobicContact CB-CB 3.78Å; N1179-C1199 PolarHBondContact ND2-SG 3.39Å; N1179-E1202 PolarHBondContact ND2-OE2 3.33Å; N1179-H1203 HydrophobicContact CB-CB 4.48Å |
| 1180 | C | 92.4 | Very high | 90.1 | Very high | 7 Ų | 7 | 89 Ų | 89 | 5% | 0.047 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 0 | -169.3 | 64.8 | 0 | 0 | 0 | 0 | 109.4 | R735 L736 T737 C1177 M1182 C1195 | R735-C1180 CarbonylContact C-O 2.94Å; R735-C1180 WeakPolarHBondContact CG-O 3.32Å; R735-C1180 CarbonylContact O-C 3.59Å; L736-C1180 CarbonylContact C-O 2.95Å; L736-C1180 WeakPolarHBondContact CA-O 1.07Å; L736-C1180 WeakPolarHBondContact CA-SG 3.09Å; L736-C1180 CovalentContact CB-C 0.95Å; L736-C1180 HydrophobicContact CB-CB 2.19Å; L736-C1180 CovalentContact CB-O 0.89Å; L736-C1180 WeakPolarHBondContact CB-O 3.29Å; L736-C1180 WeakPolarHBondContact CB-SG 3.25Å; L736-C1180 HydrophobicContact CD1-CB 3.38Å; L736-C1180 WeakPolarHBondContact CD1-O 3.02Å; L736-C1180 VanDerWaalsContact CD2-CA 3.4Å; L736-C1180 HydrophobicContact CD2-CB 3.62Å; L736-C1180 WeakPolarHBondContact CD2-O 3.47Å; L736-C1180 HydrophobicContact CG-CB 3.18Å; L736-C1180 CovalentContact CG-O 1.15Å; L736-C1180 WeakPolarHBondContact CG-O 3.46Å; L736-C1180 PolarHBondContact N-O 3.27Å; L736-C1180 CarbonylContact O-C 3.45Å; L736-C1180 VanDerWaalsContact O-C 3.3Å; L736-C1180 PolarHBondContact O-SG 2.93Å; T737-C1180 VanDerWaalsContact CA-SG 3.57Å; T737-C1180 WeakPolarHBondContact CB-SG 3.09Å; T737-C1180 PolarHBondContact N-SG 3.39Å; T737-C1180 PolarHBondContact O-SG 3.28Å; T737-C1180 WeakPolarHBondContact OG1-CB 0.9Å; T737-C1180 PolarHBondContact OG1-SG 3.21Å; C1177-C1180 VanDerWaalsContact CB-SG 3.56Å; C1177-C1180 PolarHBondContact SG-N 3.14Å; C1177-C1180 PolarHBondContact SG-SG 3.05Å; C1180-M1182 PolarHBondContact O-N 2.63Å; C1180-M1182 VanDerWaalsContact SG-CB 3.6Å; C1180-C1195 PolarHBondContact SG-SG 2.71Å |
| 1181 | L | 92.1 | Very high | 90 | Very high | 29 Ų | 29 | 89.9 Ų | 89.9 | 15% | 0.152 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | 0 | 19.9 | 0 | -60.3 | -175.5 | 0 | 0 | 0 | 111 | K734 R735 L736 W1176 C1177 | K734-L1181 VanDerWaalsContact C-CB 3.42Å; K734-L1181 VanDerWaalsContact CA-CD1 3.48Å; K734-L1181 HydrophobicContact CB-CD1 3.49Å; K734-L1181 VanDerWaalsContact CB-CD1 3.49Å; K734-L1181 HydrophobicContact CB-CD2 3.12Å; K734-L1181 HydrophobicContact CB-CG 3.95Å; K734-L1181 HydrophobicContact CG-CD1 3.94Å; K734-L1181 HydrophobicContact CG-CD2 4.39Å; K734-L1181 WeakPolarHBondContact O-CD2 2.4Å; R735-L1181 CovalentContact C-CA 0.66Å; R735-L1181 CovalentContact C-CB 0.9Å; R735-L1181 VanDerWaalsContact C-CD1 3.41Å; R735-L1181 CarbonylContact C-O 3.35Å; R735-L1181 CovalentContact CA-CB 0.72Å; R735-L1181 CovalentContact CA-CG 1.4Å; R735-L1181 WeakPolarHBondContact CA-O 3.41Å; R735-L1181 HydrophobicContact CB-CB 1.84Å; R735-L1181 CovalentContact CB-CD1 1.18Å; R735-L1181 HydrophobicContact CB-CD1 1.18Å; R735-L1181 HydrophobicContact CB-CD2 2.17Å; R735-L1181 CovalentContact CB-CG 0.71Å; R735-L1181 HydrophobicContact CB-CG 0.71Å; R735-L1181 HydrophobicContact CG-CB 2.54Å; R735-L1181 HydrophobicContact CG-CD1 2.18Å; R735-L1181 HydrophobicContact CG-CD2 3.64Å; R735-L1181 HydrophobicContact CG-CG 2.12Å; R735-L1181 CarbonylContact O-C 3.37Å; R735-L1181 CovalentContact O-CA 0.83Å; R735-L1181 WeakPolarHBondContact O-CA 3.47Å; R735-L1181 WeakPolarHBondContact O-CB 2.47Å; R735-L1181 WeakPolarHBondContact O-CD2 3.19Å; R735-L1181 WeakPolarHBondContact O-CG 3.28Å; R735-L1181 PolarHBondContact O-N 3.09Å; L736-L1181 VanDerWaalsContact CA-O 3.28Å; L736-L1181 WeakPolarHBondContact CA-O 3.45Å; L736-L1181 HydrophobicContact CB-CB 3.66Å; L736-L1181 HydrophobicContact CB-CG 4.3Å; L736-L1181 HydrophobicContact CD1-CB 4.32Å; L736-L1181 HydrophobicContact CD1-CG 4.05Å; L736-L1181 HydrophobicContact CG-CB 3.65Å; L736-L1181 HydrophobicContact CG-CG 3.95Å; L736-L1181 CovalentContact N-C 1.19Å; L736-L1181 PolarHBondContact N-O 3.04Å; L736-L1181 CarbonylContact O-C 2.89Å; L736-L1181 WeakPolarHBondContact O-CA 3.09Å; L736-L1181 PolarHBondContact O-N 3.26Å; W1176-L1181 VanDerWaalsContact CE3-O 3.28Å; C1177-L1181 WeakPolarHBondContact O-CA 3.29Å; C1177-L1181 PolarHBondContact O-N 3.38Å; C1177-L1181 VanDerWaalsContact O-N 3.08Å | |
| 1182 | M | 89.4 | Confident | 90 | Very high | 64 Ų | 64 | 87.3 Ų | 87.3 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -90 | 158.8 | 169.7 | -69.4 | -121.4 | -60.3 | 0 | 0 | 108.6 | R735 L736 T737 I738 C1177 C1180 A1184 C1195 | R735-M1182 PolarHBondContact O-N 2.81Å; L736-M1182 VanDerWaalsContact C-C 3.46Å; L736-M1182 HydrophobicContact CB-CB 4.37Å; L736-M1182 HydrophobicContact CB-CG 3.88Å; L736-M1182 CovalentContact N-N 1.65Å; L736-M1182 CarbonylContact O-C 3.56Å; L736-M1182 WeakPolarHBondContact O-CA 3.33Å; L736-M1182 WeakPolarHBondContact O-CB 3.28Å; L736-M1182 WeakPolarHBondContact O-CG 3.48Å; L736-M1182 CovalentContact O-N 1.63Å; L736-M1182 PolarHBondContact O-N 2.79Å; T737-M1182 CovalentContact C-CE 1.92Å; T737-M1182 WeakPolarHBondContact CA-SD 3.47Å; T737-M1182 VanDerWaalsContact CB-CE 3.41Å; T737-M1182 VanDerWaalsContact CB-SD 3.6Å; T737-M1182 HydrophobicContact CG2-CE 3.89Å; T737-M1182 HydrophobicContact CG2-CG 4.02Å; T737-M1182 HydrophobicContact CG2-SD 3.87Å; T737-M1182 CovalentContact N-CG 0.92Å; T737-M1182 PolarHBondContact N-SD 3.44Å; T737-M1182 VanDerWaalsContact O-CB 3.22Å; T737-M1182 WeakPolarHBondContact O-CB 3.31Å; T737-M1182 WeakPolarHBondContact O-CE 2.52Å; T737-M1182 VanDerWaalsContact OG1-CG 3.29Å; T737-M1182 WeakPolarHBondContact OG1-CG 2.72Å; I738-M1182 HydrophobicContact CB-CE 3.77Å; I738-M1182 HydrophobicContact CG1-CE 3.55Å; I738-M1182 CovalentContact N-CE 1.73Å; C1177-M1182 VanDerWaalsContact CB-O 3.3Å; C1177-M1182 WeakPolarHBondContact CB-O 3.48Å; C1177-M1182 PolarHBondContact N-O 2.76Å; C1180-M1182 PolarHBondContact O-N 2.63Å; C1180-M1182 VanDerWaalsContact SG-CB 3.6Å; M1182-A1184 PolarHBondContact O-N 2.89Å; M1182-C1195 HydrophobicContact CB-CB 4.21Å |
| 1183 | E | 91.4 | Very high | 90.1 | Very high | 103 Ų | 103 | 79.7 Ų | 79.7 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -51.8 | 117.2 | -179 | -168.9 | 173.6 | -179.4 | 0 | 0 | 111.2 | R1174 | R1174-E1183 IonicContact NH1-OE2 3.49Å |
| 1184 | A | 91.6 | Very high | 90.2 | Very high | 14 Ų | 14 | 71.3 Ų | 71.3 | 12% | 0.116 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 136.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q1175 M1182 Y1194 | Q1175-A1184 HydrophobicContact CB-CB 4.31Å; Q1175-A1184 PolarHBondContact O-N 3.43Å; M1182-A1184 PolarHBondContact O-N 2.89Å; A1184-Y1194 CarbonylContact C-O 3.59Å |
| 1185 | I | 91.5 | Very high | 90.5 | Very high | 111 Ų | 111 | 65.1 Ų | 65.1 | 57% | 0.569 | 30% | 0.299 | S | S | * | . | trans | -116.6 | -13.8 | 177.6 | 52 | 170.7 | 0 | 0 | 0 | 108.8 | Y1194 C1195 | I1185-Y1194 PolarHBondContact N-O 3.43Å; I1185-C1195 WeakPolarHBondContact CD1-O 3.44Å; I1185-C1195 WeakPolarHBondContact CG1-O 3.33Å | ||
| 1186 | Y | 88.5 | Confident | 90.7 | Very high | 104 Ų | 104 | 60 Ų | 60 | 41% | 0.408 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 127.6 | -179.6 | -64.2 | -77 | 0 | 0 | 0 | 108.8 | S1193 Y1194 T1197 | Y1186-S1193 CarbonylContact O-C 3.57Å; Y1186-S1193 VanDerWaalsContact O-C 3.32Å; Y1186-S1193 WeakPolarHBondContact O-CA 3.18Å; Y1186-S1193 WeakPolarHBondContact O-CB 3.43Å; Y1186-Y1194 PolarHBondContact N-O 2.9Å; Y1186-Y1194 PolarHBondContact O-N 2.88Å; Y1186-T1197 HydrophobicContact CE2-CG2 4.46Å |
| 1187 | H | 90.2 | Very high | 90.6 | Very high | 120 Ų | 120 | 59.2 Ų | 59.2 | 56% | 0.556 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123.3 | 176.7 | 174.9 | -1.2 | 0 | 0 | 0 | 109.7 | C1189 R1214 | H1187-C1189 WeakPolarHBondContact CE1-CA 3.24Å; H1187-C1189 PolarHBondContact CE1-N 2.93Å; H1187-C1189 PolarHBondContact CE1-O 3.25Å; H1187-C1189 PolarHBondContact ND1-N 2.95Å; H1187-C1189 VanDerWaalsContact ND1-N 3.15Å; H1187-C1189 PolarHBondContact ND1-O 3.34Å; H1187-R1214 PolarHBondContact O-NH1 3.02Å |
| 1188 | C | 89.2 | Confident | 90.4 | Very high | 7 Ų | 7 | 64.1 Ų | 64.1 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 0 | 173.3 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | T1192 Y1194 H1208 | C1188-T1192 HydrophobicContact CB-CG2 4.38Å; C1188-T1192 PolarHBondContact N-O 3.09Å; C1188-T1192 VanDerWaalsContact N-O 3.08Å; C1188-Y1194 HydrophobicContact CB-CD2 4.07Å; C1188-Y1194 HydrophobicContact CB-CE2 3.5Å; C1188-H1208 PolarHBondContact SG-CD2 2.7Å; C1188-H1208 PolarHBondContact SG-NE2 2.39Å |
| 1189 | C | 88.3 | Confident | 90.4 | Very high | 21 Ų | 21 | 58.1 Ų | 58.1 | 14% | 0.142 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 178.1 | 0 | 58.3 | 0 | 0 | 0 | 0 | 109.3 | H1187 N1191 T1192 H1208 | H1187-C1189 WeakPolarHBondContact CE1-CA 3.24Å; H1187-C1189 PolarHBondContact CE1-N 2.93Å; H1187-C1189 PolarHBondContact CE1-O 3.25Å; H1187-C1189 PolarHBondContact ND1-N 2.95Å; H1187-C1189 VanDerWaalsContact ND1-N 3.15Å; H1187-C1189 PolarHBondContact ND1-O 3.34Å; C1189-N1191 PolarHBondContact O-N 2.98Å; C1189-T1192 PolarHBondContact N-O 3.48Å; C1189-T1192 PolarHBondContact O-N 2.8Å; C1189-H1208 PolarHBondContact SG-CE1 3.24Å | |
| 1190 | W | 83.9 | Confident | 90.5 | Very high | 235 Ų | 235 | 58.6 Ų | 58.6 | 89% | 0.89 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 0 | -163.9 | 172.4 | -96.3 | 0 | 0 | 0 | 110.2 | ||
| 1191 | N | 86.2 | Confident | 90.4 | Very high | 122 Ų | 122 | 63.7 Ų | 63.7 | 65% | 0.652 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 10.2 | 0 | -151.7 | 31.4 | 0 | 0 | 0 | 110.3 | C1189 | C1189-N1191 PolarHBondContact O-N 2.98Š| |
| 1192 | T | 89.5 | Confident | 90.3 | Very high | 10 Ų | 10 | 65.9 Ų | 65.9 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 112.9 | 178.6 | -55.2 | 0 | 0 | 0 | 0 | 110.1 | R1178 C1188 C1189 Y1194 | R1178-T1192 HydrophobicContact CB-CG2 4.16Å; R1178-T1192 HydrophobicContact CG-CG2 4.48Å; C1188-T1192 HydrophobicContact CB-CG2 4.38Å; C1188-T1192 PolarHBondContact N-O 3.09Å; C1188-T1192 VanDerWaalsContact N-O 3.08Å; C1189-T1192 PolarHBondContact N-O 3.48Å; C1189-T1192 PolarHBondContact O-N 2.8Å; T1192-Y1194 HydrophobicContact CG2-CD2 4.47Å; T1192-Y1194 HydrophobicContact CG2-CE1 3.74Å; T1192-Y1194 HydrophobicContact CG2-CE2 3.53Å; T1192-Y1194 WeakPolarHBondContact CG2-OH 3.01Å |
| 1193 | S | 92.3 | Very high | 90.3 | Very high | 15 Ų | 15 | 63.9 Ų | 63.9 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 152.6 | 173.3 | -58.4 | 0 | 0 | 0 | 0 | 110.1 | C1177 R1178 Y1186 | C1177-S1193 CarbonylContact C-O 3.59Å; C1177-S1193 WeakPolarHBondContact CA-O 3.3Å; R1178-S1193 PolarHBondContact N-O 2.69Å; Y1186-S1193 CarbonylContact O-C 3.57Å; Y1186-S1193 VanDerWaalsContact O-C 3.32Å; Y1186-S1193 WeakPolarHBondContact O-CA 3.18Å; Y1186-S1193 WeakPolarHBondContact O-CB 3.43Å |
| 1194 | Y | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 153.7 | -173.2 | -60.2 | -74.9 | 0 | 0 | 0 | 108.8 | R1178 A1184 I1185 Y1186 C1188 T1192 C1199 Q1200 H1203 H1208 | R1178-Y1194 HydrophobicContact CB-CD1 4.41Å; R1178-Y1194 HydrophobicContact CB-CE1 4.06Å; A1184-Y1194 CarbonylContact C-O 3.59Å; I1185-Y1194 PolarHBondContact N-O 3.43Å; Y1186-Y1194 PolarHBondContact N-O 2.9Å; Y1186-Y1194 PolarHBondContact O-N 2.88Å; C1188-Y1194 HydrophobicContact CB-CD2 4.07Å; C1188-Y1194 HydrophobicContact CB-CE2 3.5Å; T1192-Y1194 HydrophobicContact CG2-CD2 4.47Å; T1192-Y1194 HydrophobicContact CG2-CE1 3.74Å; T1192-Y1194 HydrophobicContact CG2-CE2 3.53Å; T1192-Y1194 WeakPolarHBondContact CG2-OH 3.01Å; Y1194-C1199 HydrophobicContact CD1-CB 4.23Å; Y1194-Q1200 HydrophobicContact CD1-CB 4.37Å; Y1194-Q1200 HydrophobicContact CD2-CB 3.58Å; Y1194-Q1200 HydrophobicContact CD2-CG 3.66Å; Y1194-Q1200 HydrophobicContact CE2-CB 4Å; Y1194-Q1200 HydrophobicContact CE2-CG 3.67Å; Y1194-Q1200 HydrophobicContact CG-CB 3.79Å; Y1194-Q1200 HydrophobicContact CG-CG 4.38Å; Y1194-H1203 HydrophobicContact CD1-CB 4.35Å; Y1194-H1203 HydrophobicContact CE1-CB 3.39Å; Y1194-H1203 AromaticContact CE1-CG 3.6Å; Y1194-H1203 AromaticContact CE1-ND1 3.19Å; Y1194-H1203 WeakPolarHBondContact CE1-ND1 3.31Å; Y1194-H1203 AromaticContact CZ-CG 3.99Å; Y1194-H1203 AromaticContact CZ-ND1 3.18Å; Y1194-H1203 PolarHBondContact OH-CE1 3Å; Y1194-H1203 PolarHBondContact OH-ND1 3.31Å; Y1194-H1208 PolarHBondContact OH-CD2 2.66Å |
| 1195 | C | 94.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -87.3 | -19.7 | 179 | 67 | 0 | 0 | 0 | 0 | 110 | T737 C1177 C1180 M1182 I1185 C1199 | T737-C1195 WeakPolarHBondContact O-CB 3.4Å; T737-C1195 PolarHBondContact O-SG 2.66Å; C1177-C1195 HydrophobicContact CB-CB 3.6Å; C1177-C1195 VanDerWaalsContact CB-N 3.34Å; C1177-C1195 PolarHBondContact SG-N 1.89Å; C1180-C1195 PolarHBondContact SG-SG 2.71Å; M1182-C1195 HydrophobicContact CB-CB 4.21Å; I1185-C1195 WeakPolarHBondContact CD1-O 3.44Å; I1185-C1195 WeakPolarHBondContact CG1-O 3.33Å; C1195-C1199 PolarHBondContact SG-SG 3.13Å |
| 1196 | S | 92.5 | Very high | 89.5 | Confident | 26 Ų | 26 | 72.9 Ų | 72.9 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -157.9 | 152.3 | -179.1 | 65.6 | 0 | 0 | 0 | 0 | 109.3 | Q1198 C1199 Q1200 | S1196-Q1198 PolarHBondContact O-N 2.88Å; S1196-C1199 WeakPolarHBondContact O-CB 2.7Å; S1196-C1199 PolarHBondContact O-N 2.71Å; S1196-C1199 VanDerWaalsContact O-N 3.13Å; S1196-C1199 PolarHBondContact OG-N 3.24Å; S1196-C1199 VanDerWaalsContact OG-N 3.16Å; S1196-Q1200 PolarHBondContact O-N 3.16Å |
| 1197 | T | 90.3 | Very high | 89.5 | Confident | 72 Ų | 72 | 74 Ų | 74 | 44% | 0.442 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -54.9 | 0 | 177.4 | 51.7 | 0 | 0 | 0 | 0 | 110.3 | Y1186 Q1200 Q1201 | Y1186-T1197 HydrophobicContact CE2-CG2 4.46Å; T1197-Q1200 WeakPolarHBondContact O-CB 3.38Å; T1197-Q1200 PolarHBondContact O-N 3.49Å; T1197-Q1201 VanDerWaalsContact O-CG 3.26Å; T1197-Q1201 WeakPolarHBondContact O-CG 3.43Å; T1197-Q1201 PolarHBondContact O-N 3.14Å |
| 1198 | Q | 90.1 | Very high | 89.4 | Confident | 103 Ų | 103 | 68.5 Ų | 68.5 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | H | α-helix | 0 | -47.1 | 0 | -174.1 | 63.9 | 13.6 | 0 | 0 | 111.1 | S1196 Q1200 Q1201 E1202 | S1196-Q1198 PolarHBondContact O-N 2.88Å; Q1198-Q1200 PolarHBondContact O-N 2.61Å; Q1198-Q1201 PolarHBondContact O-N 2.59Å; Q1198-E1202 PolarHBondContact NE2-OE1 3.04Å; Q1198-E1202 WeakPolarHBondContact O-CB 3.49Å; Q1198-E1202 VanDerWaalsContact O-CG 3.29Å; Q1198-E1202 WeakPolarHBondContact O-CG 2.82Å; Q1198-E1202 PolarHBondContact O-N 3.25Å | |
| 1199 | C | 92.3 | Very high | 89.4 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 5% | 0.054 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 178.7 | -86.8 | 0 | 0 | 0 | 0 | 111 | C1177 N1179 Y1194 C1195 S1196 Q1201 E1202 H1203 | C1177-C1199 VanDerWaalsContact SG-SG 3.66Å; N1179-C1199 HydrophobicContact CB-CB 3.78Å; N1179-C1199 PolarHBondContact ND2-SG 3.39Å; Y1194-C1199 HydrophobicContact CD1-CB 4.23Å; C1195-C1199 PolarHBondContact SG-SG 3.13Å; S1196-C1199 WeakPolarHBondContact O-CB 2.7Å; S1196-C1199 PolarHBondContact O-N 2.71Å; S1196-C1199 VanDerWaalsContact O-N 3.13Å; S1196-C1199 PolarHBondContact OG-N 3.24Å; S1196-C1199 VanDerWaalsContact OG-N 3.16Å; C1199-Q1201 VanDerWaalsContact C-N 3.33Å; C1199-E1202 PolarHBondContact O-N 3.49Å; C1199-H1203 VanDerWaalsContact O-CB 3.28Å; C1199-H1203 WeakPolarHBondContact O-CB 3.42Å; C1199-H1203 PolarHBondContact O-N 2.78Å |
| 1200 | Q | 91.1 | Very high | 89.2 | Confident | 57 Ų | 57 | 85.2 Ų | 85.2 | 27% | 0.266 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 178 | -179.7 | -179.5 | 20.1 | 0 | 0 | 110.8 | Y1194 S1196 T1197 Q1198 E1202 H1203 W1204 | Y1194-Q1200 HydrophobicContact CD1-CB 4.37Å; Y1194-Q1200 HydrophobicContact CD2-CB 3.58Å; Y1194-Q1200 HydrophobicContact CD2-CG 3.66Å; Y1194-Q1200 HydrophobicContact CE2-CB 4Å; Y1194-Q1200 HydrophobicContact CE2-CG 3.67Å; Y1194-Q1200 HydrophobicContact CG-CB 3.79Å; Y1194-Q1200 HydrophobicContact CG-CG 4.38Å; S1196-Q1200 PolarHBondContact O-N 3.16Å; T1197-Q1200 WeakPolarHBondContact O-CB 3.38Å; T1197-Q1200 PolarHBondContact O-N 3.49Å; Q1198-Q1200 PolarHBondContact O-N 2.61Å; Q1200-E1202 VanDerWaalsContact C-N 3.3Å; Q1200-E1202 PolarHBondContact O-N 3.16Å; Q1200-H1203 PolarHBondContact O-N 3.28Å; Q1200-W1204 VanDerWaalsContact O-CA 3.24Å; Q1200-W1204 WeakPolarHBondContact O-CA 3.35Å; Q1200-W1204 WeakPolarHBondContact O-CB 3.42Å; Q1200-W1204 PolarHBondContact O-N 3.15Å |
| 1201 | Q | 89.9 | Confident | 89.2 | Confident | 114 Ų | 114 | 81 Ų | 81 | 53% | 0.533 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.3 | -36.1 | -176.7 | -75.6 | 176.4 | 15.9 | 0 | 0 | 110.2 | T1197 Q1198 C1199 W1204 Q1205 | T1197-Q1201 VanDerWaalsContact O-CG 3.26Å; T1197-Q1201 WeakPolarHBondContact O-CG 3.43Å; T1197-Q1201 PolarHBondContact O-N 3.14Å; Q1198-Q1201 PolarHBondContact O-N 2.59Å; C1199-Q1201 VanDerWaalsContact C-N 3.33Å; Q1201-W1204 PolarHBondContact O-N 3.08Å; Q1201-Q1205 WeakPolarHBondContact O-CB 3.37Å; Q1201-Q1205 WeakPolarHBondContact O-CG 3.28Å; Q1201-Q1205 PolarHBondContact O-N 2.6Å |
| 1202 | E | 90 | Very high | 89.3 | Confident | 75 Ų | 75 | 76.6 Ų | 76.6 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.8 | 0 | 179.6 | -77 | 178.1 | -179 | 0 | 0 | 110.7 | N1179 Q1198 C1199 Q1200 W1204 K1206 | N1179-E1202 PolarHBondContact ND2-OE2 3.33Å; Q1198-E1202 PolarHBondContact NE2-OE1 3.04Å; Q1198-E1202 WeakPolarHBondContact O-CB 3.49Å; Q1198-E1202 VanDerWaalsContact O-CG 3.29Å; Q1198-E1202 WeakPolarHBondContact O-CG 2.82Å; Q1198-E1202 PolarHBondContact O-N 3.25Å; C1199-E1202 PolarHBondContact O-N 3.49Å; Q1200-E1202 VanDerWaalsContact C-N 3.3Å; Q1200-E1202 PolarHBondContact O-N 3.16Å; E1202-W1204 VanDerWaalsContact C-N 3.31Å; E1202-K1206 WeakPolarHBondContact O-CB 3.19Å; E1202-K1206 WeakPolarHBondContact O-CG 3.2Å; E1202-K1206 PolarHBondContact O-N 2.86Å |
| 1203 | H | 89.8 | Confident | 89 | Confident | 23 Ų | 23 | 86.4 Ų | 86.4 | 11% | 0.106 | 39% | 0.389 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -178.7 | -120.9 | 0 | 0 | 0 | 111.4 | N1179 Y1194 C1199 Q1200 K1206 E1207 H1208 | N1179-H1203 HydrophobicContact CB-CB 4.48Å; Y1194-H1203 HydrophobicContact CD1-CB 4.35Å; Y1194-H1203 HydrophobicContact CE1-CB 3.39Å; Y1194-H1203 AromaticContact CE1-CG 3.6Å; Y1194-H1203 AromaticContact CE1-ND1 3.19Å; Y1194-H1203 WeakPolarHBondContact CE1-ND1 3.31Å; Y1194-H1203 AromaticContact CZ-CG 3.99Å; Y1194-H1203 AromaticContact CZ-ND1 3.18Å; Y1194-H1203 PolarHBondContact OH-CE1 3Å; Y1194-H1203 PolarHBondContact OH-ND1 3.31Å; C1199-H1203 VanDerWaalsContact O-CB 3.28Å; C1199-H1203 WeakPolarHBondContact O-CB 3.42Å; C1199-H1203 PolarHBondContact O-N 2.78Å; Q1200-H1203 PolarHBondContact O-N 3.28Å; H1203-K1206 PolarHBondContact O-N 2.92Å; H1203-E1207 PolarHBondContact O-N 2.83Å; H1203-H1208 WeakPolarHBondContact CE1-CB 3.47Å; H1203-H1208 AromaticContact CE1-CG 3.85Å; H1203-H1208 AromaticContact CE1-ND1 3.88Å; H1203-H1208 WeakPolarHBondContact ND1-CB 2.4Å; H1203-H1208 AromaticContact ND1-CG 3.89Å; H1203-H1208 PolarHBondContact O-N 3.14Å | |
| 1204 | W | 89.3 | Confident | 88.3 | Confident | 93 Ų | 93 | 93.9 Ų | 93.9 | 35% | 0.352 | 42% | 0.415 | S | S | . | . | I | π-helix | 0 | 0 | 0 | 179.4 | -98.4 | 0 | 0 | 0 | 110.2 | Q1200 Q1201 E1202 H1208 K1209 C1212 | Q1200-W1204 VanDerWaalsContact O-CA 3.24Å; Q1200-W1204 WeakPolarHBondContact O-CA 3.35Å; Q1200-W1204 WeakPolarHBondContact O-CB 3.42Å; Q1200-W1204 PolarHBondContact O-N 3.15Å; Q1201-W1204 PolarHBondContact O-N 3.08Å; E1202-W1204 VanDerWaalsContact C-N 3.31Å; W1204-H1208 HydrophobicContact CE3-CB 4.29Å; W1204-H1208 AromaticContact CE3-CD2 3.1Å; W1204-H1208 AromaticContact CE3-CG 3.97Å; W1204-H1208 AromaticContact CZ3-CD2 3.3Å; W1204-H1208 WeakPolarHBondContact CZ3-CD2 2.77Å; W1204-H1208 AromaticContact CZ3-NE2 3.87Å; W1204-K1209 HydrophobicContact CZ2-CG 4.23Å; W1204-K1209 VanDerWaalsContact O-CB 3.22Å; W1204-K1209 WeakPolarHBondContact O-CB 3.27Å; W1204-K1209 PolarHBondContact O-N 3.12Å; W1204-C1212 HydrophobicContact CE3-CB 4.48Å; W1204-C1212 HydrophobicContact CH2-CB 3.68Å; W1204-C1212 HydrophobicContact CZ3-CB 3.4Å; W1204-C1212 VanDerWaalsContact CZ3-CB 3.4Å; W1204-C1212 WeakPolarHBondContact CZ3-SG 2.83Å | |
| 1205 | Q | 83.2 | Confident | 87.3 | Confident | 167 Ų | 167 | 103.8 Ų | 103.8 | 78% | 0.78 | 46% | 0.458 | S | S | * | . | I | π-helix | 0 | -26.1 | 0 | -71.6 | -156.4 | -14.1 | 0 | 0 | 110.2 | Q1201 | Q1201-Q1205 WeakPolarHBondContact O-CB 3.37Å; Q1201-Q1205 WeakPolarHBondContact O-CG 3.28Å; Q1201-Q1205 PolarHBondContact O-N 2.6Å | |
| 1206 | K | 85.7 | Confident | 85.7 | Confident | 157 Ų | 157 | 118.4 Ų | 118.4 | 68% | 0.683 | 51% | 0.513 | S | S | * | . | I | π-helix | trans | -87.7 | 0 | -173.3 | -80.5 | -174.7 | -175 | 178.9 | 0 | 110.7 | E1202 H1203 | E1202-K1206 WeakPolarHBondContact O-CB 3.19Å; E1202-K1206 WeakPolarHBondContact O-CG 3.2Å; E1202-K1206 PolarHBondContact O-N 2.86Å; H1203-K1206 PolarHBondContact O-N 2.92Å |
| 1207 | E | 87.5 | Confident | 85.3 | Confident | 126 Ų | 126 | 123 Ų | 123 | 59% | 0.589 | 53% | 0.529 | S | S | * | . | I | π-helix | 0 | -14.4 | 0 | -65.2 | 176.3 | -179.9 | 0 | 0 | 110.3 | H1203 | H1203-E1207 PolarHBondContact O-N 2.83Å | |
| 1208 | H | 89.6 | Confident | 85.1 | Confident | 5 Ų | 5 | 125.7 Ų | 125.7 | 2% | 0.023 | 53% | 0.534 | C | S | . | . | I | π-helix | trans | -90.6 | 0 | -166 | -179.9 | 59.5 | 0 | 0 | 0 | 110.2 | C1188 C1189 Y1194 H1203 W1204 R1210 Q1211 C1212 | C1188-H1208 PolarHBondContact SG-CD2 2.7Å; C1188-H1208 PolarHBondContact SG-NE2 2.39Å; C1189-H1208 PolarHBondContact SG-CE1 3.24Å; Y1194-H1208 PolarHBondContact OH-CD2 2.66Å; H1203-H1208 WeakPolarHBondContact CE1-CB 3.47Å; H1203-H1208 AromaticContact CE1-CG 3.85Å; H1203-H1208 AromaticContact CE1-ND1 3.88Å; H1203-H1208 WeakPolarHBondContact ND1-CB 2.4Å; H1203-H1208 AromaticContact ND1-CG 3.89Å; H1203-H1208 PolarHBondContact O-N 3.14Å; W1204-H1208 HydrophobicContact CE3-CB 4.29Å; W1204-H1208 AromaticContact CE3-CD2 3.1Å; W1204-H1208 AromaticContact CE3-CG 3.97Å; W1204-H1208 AromaticContact CZ3-CD2 3.3Å; W1204-H1208 WeakPolarHBondContact CZ3-CD2 2.77Å; W1204-H1208 AromaticContact CZ3-NE2 3.87Å; H1208-R1210 PolarHBondContact O-N 3.2Å; H1208-R1210 VanDerWaalsContact O-N 3.1Å; H1208-Q1211 CarbonylContact O-C 3.51Å; H1208-Q1211 PolarHBondContact O-N 3.42Å; H1208-C1212 PolarHBondContact NE2-SG 2.61Å; H1208-C1212 VanDerWaalsContact NE2-SG 3.43Å; H1208-C1212 WeakPolarHBondContact O-CB 2.97Å; H1208-C1212 PolarHBondContact O-N 3.45Å |
| 1209 | K | 87.4 | Confident | 84.8 | Confident | 135 Ų | 135 | 126.9 Ų | 126.9 | 59% | 0.587 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -176 | 176.6 | 178.8 | -177.3 | 0 | 110.5 | W1204 | W1204-K1209 HydrophobicContact CZ2-CG 4.23Å; W1204-K1209 VanDerWaalsContact O-CB 3.22Å; W1204-K1209 WeakPolarHBondContact O-CB 3.27Å; W1204-K1209 PolarHBondContact O-N 3.12Å | |
| 1210 | R | 85.3 | Confident | 84.3 | Confident | 244 Ų | 244 | 133.9 Ų | 133.9 | 92% | 0.921 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | 0 | -8.8 | 0 | -61.8 | -179.6 | -177.5 | -163.2 | -0.4 | 110.6 | H1208 | H1208-R1210 PolarHBondContact O-N 3.2Å; H1208-R1210 VanDerWaalsContact O-N 3.1Å | |
| 1211 | Q | 83.8 | Confident | 83.9 | Confident | 147 Ų | 147 | 138.8 Ų | 138.8 | 69% | 0.687 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | 6.1 | -172.2 | -68.5 | 172.8 | 15.1 | 0 | 0 | 110.6 | H1208 R1213 | H1208-Q1211 CarbonylContact O-C 3.51Å; H1208-Q1211 PolarHBondContact O-N 3.42Å; Q1211-R1213 PolarHBondContact O-N 2.74Å |
| 1212 | C | 87.9 | Confident | 83.5 | Confident | 29 Ų | 29 | 140.4 Ų | 140.4 | 20% | 0.196 | 59% | 0.587 | C | S | . | * | trans | -78.2 | 129.6 | -173.5 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | W1204 H1208 | W1204-C1212 HydrophobicContact CE3-CB 4.48Å; W1204-C1212 HydrophobicContact CH2-CB 3.68Å; W1204-C1212 HydrophobicContact CZ3-CB 3.4Å; W1204-C1212 VanDerWaalsContact CZ3-CB 3.4Å; W1204-C1212 WeakPolarHBondContact CZ3-SG 2.83Å; H1208-C1212 PolarHBondContact NE2-SG 2.61Å; H1208-C1212 VanDerWaalsContact NE2-SG 3.43Å; H1208-C1212 WeakPolarHBondContact O-CB 2.97Å; H1208-C1212 PolarHBondContact O-N 3.45Å | ||
| 1213 | R | 82.7 | Confident | 83.1 | Confident | 217 Ų | 217 | 145.1 Ų | 145.1 | 82% | 0.819 | 60% | 0.604 | S | S | * | * | trans | -94 | 7.8 | -176.1 | -70.9 | -176.8 | 136 | -165.1 | -0.2 | 110.6 | Q1211 K1215 | Q1211-R1213 PolarHBondContact O-N 2.74Å; R1213-K1215 PolarHBondContact O-N 3.22Å | ||
| 1214 | R | 79.4 | Confident | 82.5 | Confident | 171 Ų | 171 | 154.5 Ų | 154.5 | 65% | 0.645 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -79.7 | 119 | 178 | -149.1 | 173 | 173 | 149.6 | 0.2 | 110.4 | H1187 R1216 | H1187-R1214 PolarHBondContact O-NH1 3.02Å; R1214-R1216 PolarHBondContact O-N 2.1Å |
| 1215 | K | 71.5 | Confident | 82 | Confident | 208 Ų | 208 | 159.6 Ų | 159.6 | 90% | 0.904 | 67% | 0.667 | S | S | * | * | trans | -55.9 | 0 | -178.1 | -89.1 | -176.9 | -174.7 | -179.8 | 0 | 111.3 | R1213 | R1213-K1215 PolarHBondContact O-N 3.22Š| ||
| 1216 | R | 60 | Low | 81.9 | Confident | 309 Ų | 309 | 158.9 Ų | 158.9 | 100% | 1.166 | 66% | 0.656 | S | S | * | * | 0 | 0 | 0 | -78.2 | -176.3 | -172.6 | -169.3 | -0.7 | 111.2 | R1214 | R1214-R1216 PolarHBondContact O-N 2.1Š|
Retrieved 1,216 of 1,216 residues in 831.8 ms
(Link to these results)