| 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 | 36.1 | Very low | 56.8 | Low | 203 Ų | 203 | 111.6 Ų | 111.6 | 100% | 1 | 57% | 0.567 | S | S | * | * | 0 | -91.1 | 0 | -63.3 | -47.6 | -162.8 | 0 | 0 | 113 | S3 V4 W5 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.39Å; M1-S3 VanDerWaalsContact O-N 3.13Å; M1-V4 PolarHBondContact O-N 3.36Å; M1-W5 PolarHBondContact O-N 3.21Å | |||
| 2 | A | 44.1 | Very low | 58.2 | Low | 68 Ų | 68 | 107.1 Ų | 107.1 | 56% | 0.562 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.4 | -27.8 | -161.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | K6 | A2-K6 WeakPolarHBondContact O-CG 2.85Å; A2-K6 PolarHBondContact O-N 2.82Å |
| 3 | S | 51.8 | Low | 60.4 | Low | 91 Ų | 91 | 100.6 Ų | 100.6 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67 | -46.3 | 172.7 | 48.2 | 0 | 0 | 0 | 0 | 112.1 | M1 W5 K6 R7 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.39Å; M1-S3 VanDerWaalsContact O-N 3.13Å; S3-W5 PolarHBondContact O-N 2.82Å; S3-K6 PolarHBondContact O-N 3.3Å; S3-R7 PolarHBondContact O-N 3.23Å |
| 4 | V | 47.8 | Very low | 62.4 | Low | 88 Ų | 88 | 97.3 Ų | 97.3 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 178.4 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | M1 K6 R7 L8 | M1-V4 PolarHBondContact O-N 3.36Å; V4-K6 VanDerWaalsContact C-N 3.34Å; V4-K6 PolarHBondContact O-N 3.03Å; V4-R7 WeakPolarHBondContact O-CB 3.18Å; V4-R7 PolarHBondContact O-N 3.08Å; V4-L8 WeakPolarHBondContact O-CB 3.15Å; V4-L8 PolarHBondContact O-N 3.47Å |
| 5 | W | 52.2 | Low | 64.4 | Low | 184 Ų | 184 | 90.9 Ų | 90.9 | 70% | 0.697 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63 | -40.1 | 176.2 | -160.3 | -87.6 | 0 | 0 | 0 | 112.2 | M1 S3 L8 Q9 | M1-W5 PolarHBondContact O-N 3.21Å; S3-W5 PolarHBondContact O-N 2.82Å; W5-L8 PolarHBondContact O-N 3.23Å; W5-Q9 VanDerWaalsContact O-CB 3.31Å; W5-Q9 WeakPolarHBondContact O-CB 3.4Å; W5-Q9 PolarHBondContact O-N 3.13Å |
| 6 | K | 63 | Low | 66.2 | Low | 115 Ų | 115 | 85.2 Ų | 85.2 | 50% | 0.5 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -72.4 | -24.5 | 175.5 | -74.3 | 172.2 | 178.2 | 169.5 | 0 | 113.8 | A2 S3 V4 R10 | A2-K6 WeakPolarHBondContact O-CG 2.85Å; A2-K6 PolarHBondContact O-N 2.82Å; S3-K6 PolarHBondContact O-N 3.3Å; V4-K6 VanDerWaalsContact C-N 3.34Å; V4-K6 PolarHBondContact O-N 3.03Å; K6-R10 VanDerWaalsContact O-CD 3.32Å; K6-R10 WeakPolarHBondContact O-CD 3.48Å; K6-R10 WeakPolarHBondContact O-CG 3.34Å |
| 7 | R | 60.8 | Low | 67.8 | Low | 104 Ų | 104 | 81.8 Ų | 81.8 | 39% | 0.392 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -71.3 | -49.5 | 168.3 | -173.1 | -174.7 | -97.3 | 152.3 | -7.2 | 109.6 | S3 V4 Q9 R10 V11 D166 M169 | S3-R7 PolarHBondContact O-N 3.23Å; V4-R7 WeakPolarHBondContact O-CB 3.18Å; V4-R7 PolarHBondContact O-N 3.08Å; R7-Q9 PolarHBondContact O-N 3.46Å; R7-R10 WeakPolarHBondContact O-CB 3.29Å; R7-R10 PolarHBondContact O-N 3.22Å; R7-V11 PolarHBondContact O-N 3.24Å; R7-D166 IonicContact CZ-OD1 3.79Å; R7-D166 IonicContact CZ-OD2 2.64Å; R7-D166 IonicContact NE-OD1 3.87Å; R7-D166 PolarHBondContact NE-OD1 3.07Å; R7-D166 IonicContact NH2-OD1 2.89Å; R7-D166 PolarHBondContact NH2-OD1 2.88Å; R7-D166 IonicContact NH2-OD2 3.76Å; R7-D166 PolarHBondContact NH2-OD2 3.24Å; R7-M169 HydrophobicContact CG-CB 4.23Å; R7-M169 HydrophobicContact CG-CE 4.04Å; R7-M169 HydrophobicContact CG-CG 4.5Å; R7-M169 HydrophobicContact CG-SD 3.54Å; R7-M169 VanDerWaalsContact CG-SD 3.54Å |
| 8 | L | 63.3 | Low | 69.3 | Low | 110 Ų | 110 | 77.3 Ų | 77.3 | 58% | 0.576 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60 | -41.1 | 178.5 | -169.9 | 64.9 | 0 | 0 | 0 | 112.6 | V4 W5 R10 V11 | V4-L8 WeakPolarHBondContact O-CB 3.15Å; V4-L8 PolarHBondContact O-N 3.47Å; W5-L8 PolarHBondContact O-N 3.23Å; L8-R10 PolarHBondContact O-N 3.45Å; L8-V11 HydrophobicContact CD1-CG2 4.35Å; L8-V11 WeakPolarHBondContact O-CB 3.25Å; L8-V11 PolarHBondContact O-N 3.33Å; L8-V11 VanDerWaalsContact O-N 3.09Å |
| 9 | Q | 65.3 | Low | 70.7 | Confident | 124 Ų | 124 | 76.1 Ų | 76.1 | 58% | 0.579 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -9.5 | 175.1 | -169.2 | 174 | 10.6 | 0 | 0 | 114.1 | W5 R7 K13 | W5-Q9 VanDerWaalsContact O-CB 3.31Å; W5-Q9 WeakPolarHBondContact O-CB 3.4Å; W5-Q9 PolarHBondContact O-N 3.13Å; R7-Q9 PolarHBondContact O-N 3.46Å; Q9-K13 WeakPolarHBondContact O-CE 3.47Å |
| 10 | R | 71.8 | Confident | 71.9 | Confident | 43 Ų | 43 | 72.3 Ų | 72.3 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -6.4 | 176.8 | -67.1 | 168.2 | 170.4 | -169.2 | -16 | 113.6 | K6 R7 L8 G12 K13 F85 M169 | K6-R10 VanDerWaalsContact O-CD 3.32Å; K6-R10 WeakPolarHBondContact O-CD 3.48Å; K6-R10 WeakPolarHBondContact O-CG 3.34Å; R7-R10 WeakPolarHBondContact O-CB 3.29Å; R7-R10 PolarHBondContact O-N 3.22Å; L8-R10 PolarHBondContact O-N 3.45Å; R10-G12 PolarHBondContact O-N 3.47Å; R10-K13 WeakPolarHBondContact O-CB 3.38Å; R10-K13 PolarHBondContact O-N 3.44Å; R10-F85 HydrophobicContact CB-CE1 4.42Å; R10-F85 HydrophobicContact CG-CD1 4.33Å; R10-F85 HydrophobicContact CG-CE1 4.32Å; R10-F85 VanDerWaalsContact NH2-CE2 3.26Å; R10-M169 HydrophobicContact CB-CG 4.32Å; R10-M169 HydrophobicContact CB-SD 4.19Å |
| 11 | V | 68.9 | Low | 73.1 | Confident | 98 Ų | 98 | 70 Ų | 70 | 59% | 0.594 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 128.2 | 174.3 | 174.5 | 0 | 0 | 0 | 0 | 108.3 | R7 L8 K13 | R7-V11 PolarHBondContact O-N 3.24Å; L8-V11 HydrophobicContact CD1-CG2 4.35Å; L8-V11 WeakPolarHBondContact O-CB 3.25Å; L8-V11 PolarHBondContact O-N 3.33Å; L8-V11 VanDerWaalsContact O-N 3.09Å; V11-K13 VanDerWaalsContact C-N 3.35Å |
| 12 | G | 72.9 | Confident | 75.9 | Confident | 57 Ų | 57 | 60.4 Ų | 60.4 | 59% | 0.588 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -9.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | R10 P88 | R10-G12 PolarHBondContact O-N 3.47Å; G12-P88 WeakPolarHBondContact O-CD 3.48Å; G12-P88 WeakPolarHBondContact O-CG 3.45Å |
| 13 | K | 87 | Confident | 78.3 | Confident | 23 Ų | 23 | 57.8 Ų | 57.8 | 10% | 0.1 | 30% | 0.297 | C | S | . | . | trans | -78 | 152.4 | 174.5 | -61.5 | -164.6 | 178.1 | -119.7 | 0 | 111.9 | Q9 R10 V11 F85 D87 E94 A164 | Q9-K13 WeakPolarHBondContact O-CE 3.47Å; R10-K13 WeakPolarHBondContact O-CB 3.38Å; R10-K13 PolarHBondContact O-N 3.44Å; V11-K13 VanDerWaalsContact C-N 3.35Å; K13-F85 HydrophobicContact CB-CD1 4.35Å; K13-F85 HydrophobicContact CD-CB 4.27Å; K13-D87 WeakPolarHBondContact CE-OD1 3.47Å; K13-D87 WeakPolarHBondContact CG-OD1 3.09Å; K13-D87 IonicContact NZ-OD1 3.83Å; K13-D87 PolarHBondContact NZ-OD1 3.45Å; K13-D87 IonicContact NZ-OD2 2.76Å; K13-D87 PolarHBondContact NZ-OD2 2.94Å; K13-E94 WeakPolarHBondContact CD-OE1 3.21Å; K13-E94 VanDerWaalsContact CE-OE1 3.23Å; K13-E94 WeakPolarHBondContact CE-OE1 3.38Å; K13-E94 IonicContact NZ-OE1 3.96Å; K13-E94 PolarHBondContact NZ-OE1 3.12Å; K13-A164 WeakPolarHBondContact O-CB 3.41Å; K13-A164 PolarHBondContact O-N 2.56Å | ||
| 14 | H | 88.7 | Confident | 80.3 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 25% | 0.25 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 139.6 | 164.6 | -71.2 | 90.7 | 0 | 0 | 0 | 109.4 | F85 K86 G162 | H14-F85 CarbonylContact O-C 3.6Å; H14-F85 VanDerWaalsContact O-CA 3.23Å; H14-F85 WeakPolarHBondContact O-CA 3.28Å; H14-K86 HydrophobicContact CB-CG 3.91Å; H14-K86 PolarHBondContact N-O 3.12Å; H14-K86 PolarHBondContact O-N 3.18Å; H14-G162 CarbonylContact C-O 3.53Å; H14-G162 VanDerWaalsContact CA-O 3.28Å; H14-G162 WeakPolarHBondContact CA-O 3.11Å |
| 15 | A | 91.9 | Very high | 82.4 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 122.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | T83 L84 F85 E161 G162 A164 D168 | A15-T83 HydrophobicContact CB-CG2 3.88Å; A15-L84 WeakPolarHBondContact CA-O 3.02Å; A15-F85 HydrophobicContact CB-CD1 4.02Å; A15-F85 HydrophobicContact CB-CE1 3.79Å; A15-E161 WeakPolarHBondContact O-CA 3.48Å; A15-G162 PolarHBondContact N-O 3.13Å; A15-G162 PolarHBondContact O-N 2.83Å; A15-A164 HydrophobicContact CB-CB 4.07Å; A15-D168 HydrophobicContact CB-CB 3.76Å |
| 16 | S | 93.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 116.8 | -176.9 | -47.8 | 0 | 0 | 0 | 0 | 108.2 | F18 T83 L84 F93 R160 E161 | S16-F18 WeakPolarHBondContact O-CD2 3.33Å; S16-T83 CarbonylContact O-C 3.46Å; S16-T83 WeakPolarHBondContact O-CA 3.34Å; S16-L84 PolarHBondContact N-O 3.37Å; S16-L84 PolarHBondContact O-N 3.31Å; S16-F93 WeakPolarHBondContact OG-CE1 3.36Å; S16-R160 CarbonylContact C-O 3.55Å; S16-R160 WeakPolarHBondContact CA-O 3.46Å; S16-E161 WeakPolarHBondContact OG-CG 3.46Å; S16-E161 PolarHBondContact OG-OE2 3.45Å |
| 17 | K | 93.6 | Very high | 85.9 | Confident | 28 Ų | 28 | 40.2 Ų | 40.2 | 12% | 0.122 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 115.4 | -170 | -165 | 174.5 | 177.3 | -179.2 | 0 | 108.3 | T81 L159 R160 E167 | K17-T81 HydrophobicContact CD-CG2 4.42Å; K17-T81 HydrophobicContact CG-CG2 3.83Å; K17-L159 HydrophobicContact CG-CD1 4.41Å; K17-L159 WeakPolarHBondContact O-CA 3.43Å; K17-L159 VanDerWaalsContact O-CB 3.27Å; K17-L159 WeakPolarHBondContact O-CB 3.12Å; K17-L159 PolarHBondContact O-N 3.45Å; K17-R160 HydrophobicContact CB-CG 3.8Å; K17-R160 HydrophobicContact CD-CG 4.28Å; K17-R160 PolarHBondContact N-O 3.11Å; K17-R160 PolarHBondContact O-N 3Å; K17-E167 IonicContact NZ-OE1 3.83Å; K17-E167 PolarHBondContact NZ-OE1 3.29Å |
| 18 | F | 95 | Very high | 87.5 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 146.1 | 178.6 | -59.9 | -91.9 | 0 | 0 | 0 | 110.7 | S16 F20 T81 V82 L84 F93 A125 S126 I157 F158 | S16-F18 WeakPolarHBondContact O-CD2 3.33Å; F18-F20 HydrophobicContact CB-CD2 4.07Å; F18-F20 HydrophobicContact CB-CE2 3.64Å; F18-F20 HydrophobicContact CB-CZ 4.41Å; F18-F20 HydrophobicContact CG-CE2 4.36Å; F18-T81 CarbonylContact O-C 3.59Å; F18-T81 WeakPolarHBondContact O-CA 3.27Å; F18-T81 WeakPolarHBondContact O-CG2 3.44Å; F18-V82 PolarHBondContact N-O 3.45Å; F18-V82 PolarHBondContact O-N 3.22Å; F18-L84 HydrophobicContact CD2-CB 4.36Å; F18-L84 HydrophobicContact CD2-CD1 3.92Å; F18-L84 HydrophobicContact CD2-CG 4.23Å; F18-L84 HydrophobicContact CE2-CB 4.1Å; F18-L84 HydrophobicContact CE2-CD1 3.77Å; F18-L84 HydrophobicContact CE2-CG 4.28Å; F18-F93 HydrophobicContact CE2-CE1 4.31Å; F18-F93 HydrophobicContact CE2-CE2 4.18Å; F18-F93 AromaticContact CE2-CZ 3.93Å; F18-F93 HydrophobicContact CE2-CZ 3.93Å; F18-F93 HydrophobicContact CZ-CE1 4.48Å; F18-F93 AromaticContact CZ-CE2 3.84Å; F18-F93 HydrophobicContact CZ-CE2 3.84Å; F18-F93 AromaticContact CZ-CZ 3.69Å; F18-F93 HydrophobicContact CZ-CZ 3.69Å; F18-A125 HydrophobicContact CD1-CB 4.47Å; F18-A125 HydrophobicContact CD2-CB 4.46Å; F18-A125 HydrophobicContact CE1-CB 4.22Å; F18-A125 HydrophobicContact CE2-CB 4.21Å; F18-A125 HydrophobicContact CZ-CB 4.08Å; F18-S126 WeakPolarHBondContact CE1-O 3.34Å; F18-I157 CarbonylContact C-O 3.58Å; F18-I157 VanDerWaalsContact CA-O 3.31Å; F18-I157 WeakPolarHBondContact CA-O 3.47Å; F18-F158 HydrophobicContact CD1-CB 4.04Å; F18-F158 HydrophobicContact CD1-CD2 4.16Å; F18-F158 HydrophobicContact CE1-CB 3.95Å; F18-F158 AromaticContact CE1-CD2 3.64Å; F18-F158 HydrophobicContact CE1-CD2 3.64Å; F18-F158 HydrophobicContact CE1-CG 4.27Å; F18-F158 AromaticContact CZ-CD2 3.94Å; F18-F158 HydrophobicContact CZ-CD2 3.94Å |
| 19 | Q | 95.6 | Very high | 89 | Confident | 54 Ų | 54 | 32.6 Ų | 32.6 | 25% | 0.252 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 133.4 | 161.8 | -169.9 | 175.9 | 11.3 | 0 | 0 | 107.4 | E79 C156 I157 L159 | Q19-E79 PolarHBondContact NE2-OE2 3.08Å; Q19-C156 WeakPolarHBondContact O-CA 3.45Å; Q19-I157 HydrophobicContact CB-CB 4.39Å; Q19-I157 PolarHBondContact N-O 3.37Å; Q19-I157 PolarHBondContact O-N 3.4Å; Q19-L159 HydrophobicContact CB-CD1 4.14Å; Q19-L159 HydrophobicContact CB-CD2 4.15Å; Q19-L159 HydrophobicContact CB-CG 4.25Å |
| 20 | F | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 137 | 171.3 | -73.5 | -93.6 | 0 | 0 | 0 | 109.2 | F18 W44 E79 I80 V82 M121 Y124 A125 L154 S155 C156 | F18-F20 HydrophobicContact CB-CD2 4.07Å; F18-F20 HydrophobicContact CB-CE2 3.64Å; F18-F20 HydrophobicContact CB-CZ 4.41Å; F18-F20 HydrophobicContact CG-CE2 4.36Å; F20-W44 HydrophobicContact CB-CH2 4.43Å; F20-E79 WeakPolarHBondContact O-CA 3.24Å; F20-I80 HydrophobicContact CB-CD1 4.15Å; F20-I80 HydrophobicContact CB-CG1 3.84Å; F20-I80 PolarHBondContact N-O 3.36Å; F20-I80 PolarHBondContact O-N 2.83Å; F20-V82 HydrophobicContact CD2-CB 3.65Å; F20-V82 HydrophobicContact CD2-CG1 4.24Å; F20-V82 HydrophobicContact CD2-CG2 3.55Å; F20-V82 HydrophobicContact CE2-CB 3.72Å; F20-V82 HydrophobicContact CE2-CG1 3.87Å; F20-V82 HydrophobicContact CE2-CG2 4.05Å; F20-M121 HydrophobicContact CD1-SD 4.18Å; F20-M121 HydrophobicContact CD2-SD 4.08Å; F20-M121 HydrophobicContact CE1-SD 4.29Å; F20-M121 HydrophobicContact CE2-CB 4.17Å; F20-M121 HydrophobicContact CE2-SD 4.19Å; F20-M121 HydrophobicContact CG-SD 4.06Å; F20-M121 HydrophobicContact CZ-CB 4.06Å; F20-M121 HydrophobicContact CZ-SD 4.28Å; F20-Y124 WeakPolarHBondContact CE1-O 3.44Å; F20-A125 HydrophobicContact CZ-CB 4.16Å; F20-L154 HydrophobicContact CB-CD1 4.05Å; F20-L154 HydrophobicContact CD1-CD1 3.89Å; F20-L154 HydrophobicContact CD1-CD2 4.26Å; F20-L154 HydrophobicContact CD1-CG 4.04Å; F20-L154 HydrophobicContact CG-CD1 4.44Å; F20-S155 VanDerWaalsContact CA-O 3.26Å; F20-S155 WeakPolarHBondContact CA-O 3.34Å; F20-C156 HydrophobicContact CD1-CB 3.83Å; F20-C156 HydrophobicContact CE1-CB 3.65Å; F20-C156 WeakPolarHBondContact CE1-SG 3.21Å; F20-C156 HydrophobicContact CZ-CB 4.32Å; F20-C156 WeakPolarHBondContact CZ-SG 3.46Å |
| 21 | V | 95.4 | Very high | 91.3 | Very high | 25 Ų | 25 | 27.4 Ų | 27.4 | 15% | 0.152 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 120.4 | 173.9 | -165.6 | 0 | 0 | 0 | 0 | 108.6 | N77 I78 E79 L154 S155 | V21-N77 HydrophobicContact CG1-CB 3.79Å; V21-I78 CarbonylContact C-O 3.57Å; V21-I78 WeakPolarHBondContact CA-O 3.41Å; V21-E79 HydrophobicContact CG1-CB 4.44Å; V21-E79 HydrophobicContact CG2-CB 4.09Å; V21-L154 WeakPolarHBondContact O-CA 3.4Å; V21-S155 WeakPolarHBondContact CB-OG 3.38Å; V21-S155 PolarHBondContact N-O 2.86Å; V21-S155 PolarHBondContact O-N 2.81Å |
| 22 | A | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y24 W44 I78 F152 | A22-Y24 HydrophobicContact CB-CE1 4.05Å; A22-W44 HydrophobicContact CB-CE3 4.3Å; A22-W44 HydrophobicContact CB-CH2 3.5Å; A22-W44 HydrophobicContact CB-CZ2 3.94Å; A22-W44 HydrophobicContact CB-CZ3 3.72Å; A22-I78 PolarHBondContact N-O 2.75Å; A22-I78 PolarHBondContact O-N 2.69Å; A22-F152 HydrophobicContact CB-CD2 3.74Å; A22-F152 HydrophobicContact CB-CE2 3.91Å |
| 23 | S | 94.8 | Very high | 93 | Very high | 14 Ų | 14 | 30.2 Ų | 30.2 | 10% | 0.098 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 105 | 177.9 | -164.5 | 0 | 0 | 0 | 0 | 108.8 | Q25 P75 E76 N77 F152 S153 | S23-Q25 PolarHBondContact O-NE2 3.18Å; S23-P75 WeakPolarHBondContact OG-CB 3.19Å; S23-E76 WeakPolarHBondContact CA-O 3.42Å; S23-N77 WeakPolarHBondContact CB-OD1 3.3Å; S23-N77 PolarHBondContact OG-OD1 3.19Å; S23-F152 CarbonylContact O-C 3.49Å; S23-F152 VanDerWaalsContact O-CA 3.23Å; S23-F152 WeakPolarHBondContact O-CA 3.15Å; S23-F152 VanDerWaalsContact O-CB 3.27Å; S23-F152 WeakPolarHBondContact O-CB 3.21Å; S23-S153 WeakPolarHBondContact CB-OG 3.36Å; S23-S153 PolarHBondContact N-O 2.94Å; S23-S153 PolarHBondContact O-N 3.07Å |
| 24 | Y | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 138.1 | -174.2 | -56.3 | -52.1 | 0 | 0 | 0 | 111.8 | A22 V42 W72 P75 E76 I78 F100 L150 F152 | A22-Y24 HydrophobicContact CB-CE1 4.05Å; Y24-V42 HydrophobicContact CD1-CG1 4.41Å; Y24-V42 HydrophobicContact CE1-CB 4.33Å; Y24-V42 HydrophobicContact CE1-CG1 3.7Å; Y24-V42 HydrophobicContact CE2-CB 4.2Å; Y24-V42 HydrophobicContact CE2-CG1 4.33Å; Y24-W72 HydrophobicContact CD2-CZ2 4.33Å; Y24-W72 HydrophobicContact CG-CZ2 4.39Å; Y24-W72 VanDerWaalsContact O-CB 3.31Å; Y24-W72 WeakPolarHBondContact O-CB 3.4Å; Y24-P75 WeakPolarHBondContact O-CA 3.17Å; Y24-P75 WeakPolarHBondContact O-CB 3.3Å; Y24-E76 HydrophobicContact CD2-CB 4.37Å; Y24-E76 PolarHBondContact N-O 3.2Å; Y24-I78 HydrophobicContact CD2-CG1 4.49Å; Y24-I78 HydrophobicContact CE2-CB 4.43Å; Y24-I78 HydrophobicContact CE2-CG1 3.66Å; Y24-F100 HydrophobicContact CE1-CE1 4.11Å; Y24-L150 HydrophobicContact CD1-CD1 4.16Å; Y24-L150 HydrophobicContact CD1-CD2 4.01Å; Y24-L150 HydrophobicContact CD1-CG 4.48Å; Y24-L150 HydrophobicContact CE1-CD2 3.96Å; Y24-F152 HydrophobicContact CD1-CB 3.76Å; Y24-F152 HydrophobicContact CD1-CG 4.32Å; Y24-F152 HydrophobicContact CE1-CB 4.42Å |
| 25 | Q | 91.2 | Very high | 92.8 | Very high | 52 Ų | 52 | 35.9 Ų | 35.9 | 24% | 0.243 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | -53.7 | 174.8 | -63.9 | 108.6 | 17.8 | 0 | 0 | 112.8 | S23 W72 Q151 F152 S153 | S23-Q25 PolarHBondContact O-NE2 3.18Å; Q25-W72 PolarHBondContact O-N 3.34Å; Q25-Q151 PolarHBondContact N-O 2.98Å; Q25-Q151 VanDerWaalsContact N-O 3.12Å; Q25-F152 VanDerWaalsContact OE1-C 3.29Å; Q25-S153 PolarHBondContact NE2-OG 3Å |
| 26 | E | 93.4 | Very high | 92.6 | Very high | 57 Ų | 57 | 40 Ų | 40 | 27% | 0.266 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 127.9 | -176.3 | -168.4 | -164.5 | 180 | 0 | 0 | 111 | M28 V69 L150 Q151 | E26-M28 WeakPolarHBondContact OE1-CE 3.39Å; E26-V69 HydrophobicContact CG-CG2 3.48Å; E26-V69 VanDerWaalsContact CG-CG2 3.48Å; E26-L150 CarbonylContact O-C 3.53Å; E26-Q151 HydrophobicContact CB-CB 4.4Å; E26-Q151 PolarHBondContact N-O 3.45Å; E26-Q151 VanDerWaalsContact N-O 3.13Å; E26-Q151 PolarHBondContact O-N 3.15Å |
| 27 | L | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 113.8 | 168.1 | 167.8 | 61.2 | 0 | 0 | 0 | 108.8 | V29 L40 V42 V69 V70 W72 I102 L150 | L27-V29 HydrophobicContact CD1-CG2 3.83Å; L27-V29 HydrophobicContact CD2-CG2 4.31Å; L27-V29 HydrophobicContact CG-CG2 3.88Å; L27-L40 HydrophobicContact CD2-CB 4.19Å; L27-L40 HydrophobicContact CD2-CD1 4.04Å; L27-V42 HydrophobicContact CD2-CG2 3.88Å; L27-V69 CarbonylContact O-C 3.51Å; L27-V69 WeakPolarHBondContact O-CA 3.35Å; L27-V70 HydrophobicContact CB-CB 4.19Å; L27-V70 PolarHBondContact N-O 2.99Å; L27-V70 PolarHBondContact O-N 2.93Å; L27-W72 HydrophobicContact CB-CH2 3.75Å; L27-W72 HydrophobicContact CB-CZ3 3.54Å; L27-W72 HydrophobicContact CD2-CH2 4.25Å; L27-I102 HydrophobicContact CD1-CD1 3.58Å; L27-I102 HydrophobicContact CD1-CG1 4.08Å; L27-I102 HydrophobicContact CD2-CG1 4.31Å; L27-I102 HydrophobicContact CD2-CG2 4.16Å; L27-L150 HydrophobicContact CB-CD1 3.79Å; L27-L150 HydrophobicContact CD1-CB 4.35Å; L27-L150 HydrophobicContact CD1-CD1 4.29Å |
| 28 | M | 94.5 | Very high | 91.9 | Very high | 52 Ų | 52 | 42.2 Ų | 42.2 | 26% | 0.256 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 126.1 | 177.3 | -172.5 | 177.6 | -65.4 | 0 | 0 | 109.7 | E26 R67 A148 T149 | E26-M28 WeakPolarHBondContact OE1-CE 3.39Å; M28-R67 HydrophobicContact CG-CG 4.44Å; M28-R67 PolarHBondContact SD-NE 3.4Å; M28-R67 PolarHBondContact SD-NH2 2.7Å; M28-A148 CarbonylContact O-C 3.42Å; M28-A148 VanDerWaalsContact O-CA 3.28Å; M28-A148 WeakPolarHBondContact O-CA 3.45Å; M28-T149 PolarHBondContact N-O 3.11Å; M28-T149 PolarHBondContact O-N 3.27Å |
| 29 | V | 95 | Very high | 91.8 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 126 | 179.5 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | L27 L40 W58 G68 V145 A148 | L27-V29 HydrophobicContact CD1-CG2 3.83Å; L27-V29 HydrophobicContact CD2-CG2 4.31Å; L27-V29 HydrophobicContact CG-CG2 3.88Å; V29-L40 HydrophobicContact CB-CD1 4.2Å; V29-L40 HydrophobicContact CG2-CD1 3.62Å; V29-W58 PolarHBondContact O-NE1 3.43Å; V29-G68 PolarHBondContact N-O 3.44Å; V29-G68 PolarHBondContact O-N 3.28Å; V29-V145 HydrophobicContact CG1-CG1 4Å; V29-V145 HydrophobicContact CG1-CG2 3.9Å; V29-A148 HydrophobicContact CG1-CB 4.36Å; V29-A148 HydrophobicContact CG2-CB 4.04Å |
| 30 | E | 93.8 | Very high | 91.7 | Very high | 53 Ų | 53 | 43.8 Ų | 43.8 | 25% | 0.248 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119.2 | 174.4 | -173.2 | 168.7 | -132.4 | 0 | 0 | 109.9 | Y66 R67 V146 S147 | E30-Y66 CarbonylContact C-O 3.01Å; E30-Y66 WeakPolarHBondContact CA-O 3.45Å; E30-R67 HydrophobicContact CB-CB 4.22Å; E30-R67 HydrophobicContact CB-CG 4.2Å; E30-R67 HydrophobicContact CG-CB 4.07Å; E30-R67 HydrophobicContact CG-CG 4.44Å; E30-V146 HydrophobicContact CB-CB 4.5Å; E30-V146 HydrophobicContact CG-CB 4.16Å; E30-V146 PolarHBondContact O-N 3.02Å; E30-S147 WeakPolarHBondContact CB-OG 3.17Å; E30-S147 PolarHBondContact N-O 2.85Å; E30-S147 PolarHBondContact O-N 3.5Å; E30-S147 PolarHBondContact OE2-OG 3.07Å |
| 31 | C | 93.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.034 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 167.9 | -173.8 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | W35 P37 Y66 K144 | C31-W35 HydrophobicContact CB-CE3 4.14Å; C31-W35 HydrophobicContact CB-CZ3 4.49Å; C31-W35 WeakPolarHBondContact CB-O 3.47Å; C31-P37 VanDerWaalsContact SG-CD 3.57Å; C31-Y66 PolarHBondContact N-O 3.28Å; C31-K144 WeakPolarHBondContact CA-O 3.48Å |
| 32 | T | 90.7 | Very high | 91.6 | Very high | 42 Ų | 42 | 42.6 Ų | 42.6 | 26% | 0.258 | 20% | 0.199 | S | C | . | . | trans | -74.6 | 159.2 | 172.9 | 64 | 0 | 0 | 0 | 0 | 111.7 | K34 W35 K143 K144 V146 | T32-K34 PolarHBondContact O-N 3.31Å; T32-W35 PolarHBondContact O-N 2.9Å; T32-W35 VanDerWaalsContact O-O 3.06Å; T32-K143 WeakPolarHBondContact CG2-O 3.3Å; T32-K144 PolarHBondContact N-O 3.31Å; T32-V146 HydrophobicContact CG2-CG2 4.09Å | ||
| 33 | K | 85.8 | Confident | 91.6 | Very high | 172 Ų | 172 | 42.7 Ų | 42.7 | 75% | 0.748 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -1.3 | -178.2 | -60.9 | -173 | -179.8 | -179.5 | 0 | 115.5 | Y66 | K33-Y66 HydrophobicContact CB-CE1 4.21Å; K33-Y66 HydrophobicContact CB-CE2 4.27Å; K33-Y66 HydrophobicContact CG-CD2 4Å; K33-Y66 HydrophobicContact CG-CE2 3.96Å; K33-Y66 HydrophobicContact CG-CG 4.37Å; K33-Y66 WeakPolarHBondContact O-CE1 3.13Å |
| 34 | K | 81.9 | Confident | 91.5 | Very high | 139 Ų | 139 | 42 Ų | 42 | 60% | 0.604 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | -11.3 | 179.6 | -79.4 | -168 | 166.7 | -166.7 | 0 | 113.8 | T32 E198 N202 | T32-K34 PolarHBondContact O-N 3.31Å; K34-E198 IonicContact NZ-OE1 3.34Å; K34-E198 PolarHBondContact NZ-OE1 2.82Å; K34-N202 PolarHBondContact NZ-ND2 2.92Å; K34-N202 PolarHBondContact NZ-OD1 2.94Å |
| 35 | W | 89.6 | Confident | 91.4 | Very high | 57 Ų | 57 | 43.7 Ų | 43.7 | 22% | 0.216 | 21% | 0.205 | C | C | . | . | trans | -145.9 | 146.8 | -168.5 | -178 | 79.5 | 0 | 0 | 0 | 112.5 | C31 T32 P37 N104 L114 K144 V145 | C31-W35 HydrophobicContact CB-CE3 4.14Å; C31-W35 HydrophobicContact CB-CZ3 4.49Å; C31-W35 WeakPolarHBondContact CB-O 3.47Å; T32-W35 PolarHBondContact O-N 2.9Å; T32-W35 VanDerWaalsContact O-O 3.06Å; W35-P37 HydrophobicContact CH2-CB 3.61Å; W35-P37 HydrophobicContact CH2-CG 4.34Å; W35-P37 HydrophobicContact CZ2-CB 4.15Å; W35-P37 HydrophobicContact CZ3-CB 4.12Å; W35-P37 HydrophobicContact CZ3-CG 4.37Å; W35-N104 HydrophobicContact CH2-CB 4.27Å; W35-N104 HydrophobicContact CZ2-CB 4.21Å; W35-L114 HydrophobicContact CH2-CD1 3.79Å; W35-L114 HydrophobicContact CH2-CD2 3.71Å; W35-L114 HydrophobicContact CH2-CG 4.42Å; W35-L114 HydrophobicContact CZ2-CD2 4.4Å; W35-L114 HydrophobicContact CZ3-CD1 4.28Å; W35-L114 HydrophobicContact CZ3-CD2 4.35Å; W35-K144 HydrophobicContact CB-CB 4.47Å; W35-K144 HydrophobicContact CB-CG 4.39Å; W35-K144 HydrophobicContact CD2-CB 3.79Å; W35-K144 HydrophobicContact CD2-CD 4.2Å; W35-K144 HydrophobicContact CD2-CG 4.23Å; W35-K144 HydrophobicContact CE3-CB 3.6Å; W35-K144 HydrophobicContact CG-CB 4.18Å; W35-K144 HydrophobicContact CG-CD 4.15Å; W35-K144 HydrophobicContact CG-CG 4.17Å; W35-K144 HydrophobicContact CZ3-CB 4.09Å; W35-V145 HydrophobicContact CZ3-CG2 4.13Å | ||
| 36 | Q | 86.7 | Confident | 91.2 | Very high | 88 Ų | 88 | 43.6 Ų | 43.6 | 41% | 0.411 | 20% | 0.202 | S | C | . | . | trans | -136.8 | 145.6 | 174 | -63.6 | -178.9 | 2.7 | 0 | 0 | 108.8 | W58 | Q36-W58 HydrophobicContact CB-CE3 4.46Å; Q36-W58 HydrophobicContact CB-CH2 4.12Å; Q36-W58 HydrophobicContact CB-CZ3 3.78Å; Q36-W58 HydrophobicContact CG-CH2 3.83Å; Q36-W58 HydrophobicContact CG-CZ3 3.83Å | ||
| 37 | P | 88.3 | Confident | 90.7 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | trans | -79.8 | 143.3 | 175.4 | 30.3 | -33 | 0 | 0 | 0 | 111.9 | C31 W35 L40 W58 N104 | C31-P37 VanDerWaalsContact SG-CD 3.57Å; W35-P37 HydrophobicContact CH2-CB 3.61Å; W35-P37 HydrophobicContact CH2-CG 4.34Å; W35-P37 HydrophobicContact CZ2-CB 4.15Å; W35-P37 HydrophobicContact CZ3-CB 4.12Å; W35-P37 HydrophobicContact CZ3-CG 4.37Å; P37-L40 HydrophobicContact CB-CD2 3.57Å; P37-L40 HydrophobicContact CB-CG 4.04Å; P37-L40 HydrophobicContact CG-CD1 4.27Å; P37-L40 HydrophobicContact CG-CD2 4.08Å; P37-L40 HydrophobicContact CG-CG 4.21Å; P37-W58 HydrophobicContact CG-CB 3.79Å; P37-W58 HydrophobicContact CG-CD2 3.63Å; P37-W58 HydrophobicContact CG-CE3 4.15Å; P37-W58 HydrophobicContact CG-CG 3.51Å; P37-N104 WeakPolarHBondContact CA-OD1 3.16Å; P37-N104 WeakPolarHBondContact CB-OD1 3.48Å | ||
| 38 | D | 85.3 | Confident | 89.6 | Confident | 66 Ų | 66 | 52.6 Ų | 52.6 | 35% | 0.353 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -76.2 | -59.5 | 175.8 | -45 | -84.3 | 0 | 0 | 0 | 110.4 | N104 L107 | D38-N104 PolarHBondContact N-OD1 3Å; D38-N104 VanDerWaalsContact N-OD1 3.09Å; D38-N104 PolarHBondContact OD2-ND2 3.05Å; D38-L107 HydrophobicContact CB-CD2 4.44Å |
| 39 | K | 92.6 | Very high | 88.9 | Confident | 88 Ų | 88 | 53.1 Ų | 53.1 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 139.4 | 176.2 | -59.8 | -179.1 | -175.4 | 174.6 | 0 | 109.8 | H56 N104 E105 | K39-H56 CarbonylContact C-O 3.52Å; K39-H56 WeakPolarHBondContact CA-O 3.31Å; K39-N104 WeakPolarHBondContact O-CA 3.43Å; K39-N104 PolarHBondContact O-OD1 2.83Å; K39-E105 HydrophobicContact CB-CB 4.47Å; K39-E105 PolarHBondContact O-N 2.7Å |
| 40 | L | 94 | Very high | 88.5 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 143.5 | 177.9 | -63.7 | 177.8 | 0 | 0 | 0 | 111.5 | L27 V29 P37 S55 H56 W58 V70 I102 E103 L114 | L27-L40 HydrophobicContact CD2-CB 4.19Å; L27-L40 HydrophobicContact CD2-CD1 4.04Å; V29-L40 HydrophobicContact CB-CD1 4.2Å; V29-L40 HydrophobicContact CG2-CD1 3.62Å; P37-L40 HydrophobicContact CB-CD2 3.57Å; P37-L40 HydrophobicContact CB-CG 4.04Å; P37-L40 HydrophobicContact CG-CD1 4.27Å; P37-L40 HydrophobicContact CG-CD2 4.08Å; P37-L40 HydrophobicContact CG-CG 4.21Å; L40-S55 WeakPolarHBondContact O-CA 3.25Å; L40-H56 PolarHBondContact N-O 3.11Å; L40-H56 PolarHBondContact O-N 3.44Å; L40-W58 HydrophobicContact CD1-CB 4.22Å; L40-W58 HydrophobicContact CD1-CG 4.31Å; L40-W58 HydrophobicContact CG-CB 4.39Å; L40-V70 HydrophobicContact CB-CG2 4.28Å; L40-V70 HydrophobicContact CD1-CG2 4.05Å; L40-I102 HydrophobicContact CD2-CG2 4.09Å; L40-E103 WeakPolarHBondContact CA-O 3.35Å; L40-L114 HydrophobicContact CD2-CD1 3.53Å |
| 41 | V | 94 | Very high | 88.4 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.8 | 174.1 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | V43 I102 E103 E105 | V41-V43 HydrophobicContact CG1-CG2 3.73Å; V41-I102 WeakPolarHBondContact O-CA 3.45Å; V41-E103 HydrophobicContact CB-CB 4.47Å; V41-E103 PolarHBondContact N-O 2.59Å; V41-E103 PolarHBondContact O-N 3.24Å; V41-E105 HydrophobicContact CG2-CB 4.34Å |
| 42 | V | 95 | Very high | 88.3 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 127.2 | 169.7 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | Y24 L27 S52 S53 W72 F100 L150 | Y24-V42 HydrophobicContact CD1-CG1 4.41Å; Y24-V42 HydrophobicContact CE1-CB 4.33Å; Y24-V42 HydrophobicContact CE1-CG1 3.7Å; Y24-V42 HydrophobicContact CE2-CB 4.2Å; Y24-V42 HydrophobicContact CE2-CG1 4.33Å; L27-V42 HydrophobicContact CD2-CG2 3.88Å; V42-S52 CarbonylContact O-C 3.45Å; V42-S52 WeakPolarHBondContact O-CA 2.9Å; V42-S53 PolarHBondContact N-OG 3.2Å; V42-S53 PolarHBondContact O-N 3.48Å; V42-S53 PolarHBondContact O-OG 3.11Å; V42-W72 HydrophobicContact CG2-CH2 3.81Å; V42-W72 HydrophobicContact CG2-CZ2 4.19Å; V42-F100 HydrophobicContact CG1-CD1 3.99Å; V42-L150 HydrophobicContact CG1-CD2 3.82Å; V42-L150 HydrophobicContact CG2-CD1 4.04Å |
| 43 | V | 94.6 | Very high | 88.4 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 114.1 | -176.8 | -177.5 | 0 | 0 | 0 | 0 | 110 | V41 R50 K51 F100 V101 E103 | V41-V43 HydrophobicContact CG1-CG2 3.73Å; V43-R50 HydrophobicContact CG1-CG 3.45Å; V43-R50 VanDerWaalsContact CG1-CG 3.45Å; V43-K51 WeakPolarHBondContact CA-O 3.41Å; V43-K51 WeakPolarHBondContact CG1-O 3.25Å; V43-F100 CarbonylContact O-C 3.58Å; V43-F100 WeakPolarHBondContact O-CA 3.37Å; V43-V101 HydrophobicContact CB-CB 4.4Å; V43-V101 PolarHBondContact N-O 3.27Å; V43-V101 PolarHBondContact O-N 2.62Å; V43-E103 HydrophobicContact CG2-CG 4.1Å; V43-E103 VanDerWaalsContact CG2-OE2 3.3Å; V43-E103 WeakPolarHBondContact CG2-OE2 3.43Å |
| 44 | W | 93.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 131.7 | 164.4 | 62.9 | -10.1 | 0 | 0 | 0 | 111.5 | F20 A22 K51 I78 I80 W98 T99 F100 L154 | F20-W44 HydrophobicContact CB-CH2 4.43Å; A22-W44 HydrophobicContact CB-CE3 4.3Å; A22-W44 HydrophobicContact CB-CH2 3.5Å; A22-W44 HydrophobicContact CB-CZ2 3.94Å; A22-W44 HydrophobicContact CB-CZ3 3.72Å; W44-K51 PolarHBondContact N-O 3.3Å; W44-K51 VanDerWaalsContact N-O 3.08Å; W44-K51 PolarHBondContact O-N 2.91Å; W44-I78 HydrophobicContact CZ2-CB 4.36Å; W44-I78 HydrophobicContact CZ2-CG2 4.11Å; W44-I78 WeakPolarHBondContact CZ2-O 3.38Å; W44-I78 VanDerWaalsContact NE1-CG2 3.26Å; W44-I80 HydrophobicContact CD2-CD1 4.03Å; W44-I80 HydrophobicContact CD2-CG2 4.25Å; W44-I80 HydrophobicContact CE3-CD1 3.59Å; W44-I80 HydrophobicContact CE3-CG1 4.43Å; W44-I80 HydrophobicContact CH2-CB 4.41Å; W44-I80 HydrophobicContact CH2-CD1 3.44Å; W44-I80 VanDerWaalsContact CH2-CD1 3.44Å; W44-I80 HydrophobicContact CH2-CG1 3.43Å; W44-I80 VanDerWaalsContact CH2-CG1 3.43Å; W44-I80 HydrophobicContact CH2-CG2 4.31Å; W44-I80 HydrophobicContact CZ2-CB 4.08Å; W44-I80 HydrophobicContact CZ2-CD1 3.82Å; W44-I80 HydrophobicContact CZ2-CG1 3.58Å; W44-I80 HydrophobicContact CZ2-CG2 3.55Å; W44-I80 HydrophobicContact CZ3-CD1 3.3Å; W44-I80 HydrophobicContact CZ3-CG1 3.88Å; W44-W98 HydrophobicContact CB-CE3 4.38Å; W44-W98 HydrophobicContact CG-CE3 4.5Å; W44-T99 CarbonylContact C-O 3.45Å; W44-T99 WeakPolarHBondContact CA-O 3.48Å; W44-F100 HydrophobicContact CB-CD1 4.23Å; W44-F100 HydrophobicContact CB-CD2 3.87Å; W44-F100 HydrophobicContact CB-CE1 4.15Å; W44-F100 HydrophobicContact CB-CE2 3.75Å; W44-F100 HydrophobicContact CB-CG 4.11Å; W44-F100 HydrophobicContact CB-CZ 3.92Å; W44-F100 HydrophobicContact CD2-CE2 4.33Å; W44-F100 AromaticContact CD2-CZ 3.97Å; W44-F100 HydrophobicContact CD2-CZ 3.97Å; W44-F100 HydrophobicContact CE3-CE1 4.29Å; W44-F100 AromaticContact CE3-CE2 3.64Å; W44-F100 HydrophobicContact CE3-CE2 3.64Å; W44-F100 AromaticContact CE3-CZ 3.34Å; W44-F100 HydrophobicContact CE3-CZ 3.34Å; W44-F100 HydrophobicContact CG-CE2 4.45Å; W44-F100 HydrophobicContact CG-CZ 4.27Å; W44-F100 HydrophobicContact CZ3-CZ 4.05Å; W44-L154 HydrophobicContact CH2-CD1 4.43Å; W44-L154 HydrophobicContact CZ3-CD1 4.1Å |
| 45 | T | 92.1 | Very high | 89 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 148.9 | -172.8 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | R49 W98 T99 V101 | T45-R49 CarbonylContact C-O 3.58Å; T45-R49 WeakPolarHBondContact CA-O 3.25Å; T45-R49 PolarHBondContact OG1-O 3.41Å; T45-R49 VanDerWaalsContact OG1-O 3.13Å; T45-W98 VanDerWaalsContact C-CE3 3.47Å; T45-T99 HydrophobicContact CG2-CG2 4.49Å; T45-T99 WeakPolarHBondContact CG2-O 3.36Å; T45-T99 PolarHBondContact N-O 2.79Å; T45-T99 PolarHBondContact O-N 3.27Å; T45-V101 HydrophobicContact CG2-CG2 4.15Å |
| 46 | R | 86.4 | Confident | 89.1 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 19% | 0.189 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 104.7 | 172.4 | -170.4 | -175.3 | -160.5 | -108.5 | -0.9 | 110.5 | R49 K96 E97 W98 | R46-R49 PolarHBondContact N-O 3.17Å; R46-R49 PolarHBondContact O-N 3.36Å; R46-K96 VanDerWaalsContact CZ-CG 3.43Å; R46-E97 VanDerWaalsContact CD-O 3.24Å; R46-E97 WeakPolarHBondContact CD-O 3.34Å; R46-E97 PolarHBondContact NE-O 3Å; R46-W98 HydrophobicContact CB-CD2 3.59Å; R46-W98 HydrophobicContact CB-CE3 3.57Å; R46-W98 HydrophobicContact CB-CG 4.01Å; R46-W98 HydrophobicContact CB-CZ3 4.09Å; R46-W98 HydrophobicContact CG-CD2 4.45Å; R46-W98 HydrophobicContact CG-CG 4.48Å |
| 47 | R | 82.5 | Confident | 89.2 | Confident | 155 Ų | 155 | 54.9 Ų | 54.9 | 59% | 0.585 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | -139.7 | -169.7 | -49 | 174.3 | -175.6 | 171.9 | -0.7 | 108.8 | R49 | R47-R49 PolarHBondContact O-N 2.83Å; R47-R49 VanDerWaalsContact O-N 3.12Å |
| 48 | S | 72.9 | Confident | 89.4 | Confident | 92 Ų | 92 | 55.1 Ų | 55.1 | 64% | 0.643 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 2.3 | 176.7 | 53.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 49 | R | 79.4 | Confident | 89.6 | Confident | 62 Ų | 62 | 57.6 Ų | 57.6 | 23% | 0.234 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118.2 | 174.3 | -64.1 | -166.3 | -54 | 163.7 | 7 | 110.3 | T45 R46 R47 T81 A173 | T45-R49 CarbonylContact C-O 3.58Å; T45-R49 WeakPolarHBondContact CA-O 3.25Å; T45-R49 PolarHBondContact OG1-O 3.41Å; T45-R49 VanDerWaalsContact OG1-O 3.13Å; R46-R49 PolarHBondContact N-O 3.17Å; R46-R49 PolarHBondContact O-N 3.36Å; R47-R49 PolarHBondContact O-N 2.83Å; R47-R49 VanDerWaalsContact O-N 3.12Å; R49-T81 PolarHBondContact NH1-O 3.02Å; R49-A173 HydrophobicContact CG-CB 3.43Å; R49-A173 VanDerWaalsContact CG-CB 3.43Å |
| 50 | R | 87.3 | Confident | 89.5 | Confident | 142 Ų | 142 | 56.4 Ų | 56.4 | 54% | 0.536 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.5 | 176 | -173 | 178 | 177.7 | 154.8 | -2.2 | 108.7 | V43 E103 | V43-R50 HydrophobicContact CG1-CG 3.45Å; V43-R50 VanDerWaalsContact CG1-CG 3.45Å; R50-E103 IonicContact CZ-OE1 3.74Å; R50-E103 IonicContact CZ-OE2 3.22Å; R50-E103 IonicContact NH2-OE1 2.9Å; R50-E103 PolarHBondContact NH2-OE1 3.3Å; R50-E103 IonicContact NH2-OE2 3.8Å; R50-E103 PolarHBondContact NH2-OE2 3.03Å |
| 51 | K | 90.1 | Very high | 89.2 | Confident | 105 Ų | 105 | 57.5 Ų | 57.5 | 46% | 0.457 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 138.9 | 170.1 | -81.1 | -80.8 | -163.8 | 167.5 | 0 | 107 | V43 W44 I78 I80 | V43-K51 WeakPolarHBondContact CA-O 3.41Å; V43-K51 WeakPolarHBondContact CG1-O 3.25Å; W44-K51 PolarHBondContact N-O 3.3Å; W44-K51 VanDerWaalsContact N-O 3.08Å; W44-K51 PolarHBondContact O-N 2.91Å; K51-I78 HydrophobicContact CB-CG2 3.95Å; K51-I80 HydrophobicContact CG-CG2 4.27Å |
| 52 | S | 91.5 | Very high | 88.8 | Confident | 45 Ų | 45 | 66.1 Ų | 66.1 | 32% | 0.315 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.6 | -177.1 | 60.3 | 0 | 0 | 0 | 0 | 111.6 | V42 | V42-S52 CarbonylContact O-C 3.45Å; V42-S52 WeakPolarHBondContact O-CA 2.9Å |
| 53 | S | 93.6 | Very high | 88.2 | Confident | 5 Ų | 5 | 76.3 Ų | 76.3 | 4% | 0.035 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 173.2 | 160.3 | 70.9 | 0 | 0 | 0 | 0 | 111.3 | V42 E76 | V42-S53 PolarHBondContact N-OG 3.2Å; V42-S53 PolarHBondContact O-N 3.48Å; V42-S53 PolarHBondContact O-OG 3.11Å; S53-E76 VanDerWaalsContact CA-OE2 3.29Å; S53-E76 WeakPolarHBondContact CA-OE2 3.26Å; S53-E76 WeakPolarHBondContact CB-OE2 3.49Å |
| 54 | K | 90 | Very high | 87.8 | Confident | 144 Ų | 144 | 78.8 Ų | 78.8 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 167.3 | 155.7 | -72.8 | 160.2 | -167.1 | 173.3 | 0 | 110.3 | H56 E76 | K54-H56 PolarHBondContact O-CD2 3.48Å; K54-E76 VanDerWaalsContact CD-OE1 3.22Å; K54-E76 WeakPolarHBondContact CD-OE1 3.09Å; K54-E76 WeakPolarHBondContact CE-OE1 3.45Å; K54-E76 VanDerWaalsContact CG-OE1 3.22Å; K54-E76 WeakPolarHBondContact CG-OE1 3.37Å; K54-E76 PolarHBondContact N-OE1 3.43Å; K54-E76 PolarHBondContact N-OE2 2.83Å |
| 55 | S | 90.7 | Very high | 87.4 | Confident | 35 Ų | 35 | 82.1 Ų | 82.1 | 25% | 0.245 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -91 | 123.1 | 173.8 | 57.2 | 0 | 0 | 0 | 0 | 110.7 | L40 E105 | L40-S55 WeakPolarHBondContact O-CA 3.25Å; S55-E105 WeakPolarHBondContact CB-OE2 3.22Å; S55-E105 PolarHBondContact OG-OE2 2.73Å |
| 56 | H | 90.3 | Very high | 87.3 | Confident | 49 Ų | 49 | 84 Ų | 84 | 23% | 0.227 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134.7 | -176.3 | -73.3 | -108.4 | 0 | 0 | 0 | 110.7 | K39 L40 K54 W58 V70 W72 E76 | K39-H56 CarbonylContact C-O 3.52Å; K39-H56 WeakPolarHBondContact CA-O 3.31Å; L40-H56 PolarHBondContact N-O 3.11Å; L40-H56 PolarHBondContact O-N 3.44Å; K54-H56 PolarHBondContact O-CD2 3.48Å; H56-W58 PolarHBondContact O-N 3.1Å; H56-V70 HydrophobicContact CB-CG1 3.49Å; H56-V70 VanDerWaalsContact CB-CG1 3.49Å; H56-W72 AromaticContact CD2-NE1 3.45Å; H56-W72 PolarHBondContact CD2-NE1 3.34Å; H56-W72 AromaticContact CE1-CD1 3.47Å; H56-W72 VanDerWaalsContact CE1-CD1 3.47Å; H56-W72 AromaticContact CE1-NE1 3.45Å; H56-W72 PolarHBondContact CE1-NE1 2.84Å; H56-W72 AromaticContact CG-NE1 3.97Å; H56-W72 AromaticContact ND1-NE1 3.95Å; H56-W72 AromaticContact NE2-CD1 3.56Å; H56-W72 AromaticContact NE2-NE1 3.11Å; H56-W72 PolarHBondContact NE2-NE1 2.89Å; H56-W72 VanDerWaalsContact NE2-NE1 3.11Å; H56-E76 IonicContact NE2-OE2 3.19Å |
| 57 | S | 89.8 | Confident | 87.6 | Confident | 69 Ų | 69 | 87.3 Ų | 87.3 | 48% | 0.483 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 130.8 | 177.8 | -49.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 58 | W | 92.2 | Very high | 88 | Confident | 14 Ų | 14 | 80 Ų | 80 | 5% | 0.053 | 40% | 0.401 | C | S | . | . | trans | -80.4 | 134.4 | 176.3 | 172.2 | 96.3 | 0 | 0 | 0 | 110.5 | V29 Q36 P37 L40 H56 P60 P65 G68 V70 | V29-W58 PolarHBondContact O-NE1 3.43Å; Q36-W58 HydrophobicContact CB-CE3 4.46Å; Q36-W58 HydrophobicContact CB-CH2 4.12Å; Q36-W58 HydrophobicContact CB-CZ3 3.78Å; Q36-W58 HydrophobicContact CG-CH2 3.83Å; Q36-W58 HydrophobicContact CG-CZ3 3.83Å; P37-W58 HydrophobicContact CG-CB 3.79Å; P37-W58 HydrophobicContact CG-CD2 3.63Å; P37-W58 HydrophobicContact CG-CE3 4.15Å; P37-W58 HydrophobicContact CG-CG 3.51Å; L40-W58 HydrophobicContact CD1-CB 4.22Å; L40-W58 HydrophobicContact CD1-CG 4.31Å; L40-W58 HydrophobicContact CG-CB 4.39Å; H56-W58 PolarHBondContact O-N 3.1Å; W58-P60 HydrophobicContact CH2-CB 3.99Å; W58-P60 HydrophobicContact CZ3-CB 3.83Å; W58-P60 HydrophobicContact CZ3-CG 4.39Å; W58-P65 WeakPolarHBondContact CH2-O 3.42Å; W58-G68 VanDerWaalsContact CE2-CA 3.44Å; W58-G68 VanDerWaalsContact CZ2-N 3.33Å; W58-G68 VanDerWaalsContact NE1-CA 3.33Å; W58-V70 HydrophobicContact CB-CG2 4.09Å | ||
| 59 | Q | 90.2 | Very high | 88.9 | Confident | 118 Ų | 118 | 77.5 Ų | 77.5 | 55% | 0.551 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 119.1 | -178.2 | -65.7 | -64.2 | -21.6 | 0 | 0 | 110.5 | G68 V69 | Q59-G68 CarbonylContact O-C 3.58Å; Q59-G68 WeakPolarHBondContact O-CA 3.27Å; Q59-V69 PolarHBondContact N-O 3.4Å; Q59-V69 PolarHBondContact O-N 3.4Å |
| 60 | P | 89.6 | Confident | 89.6 | Confident | 63 Ų | 63 | 74.7 Ų | 74.7 | 41% | 0.409 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 139.2 | -177.9 | 26.7 | -34.3 | 0 | 0 | 0 | 112 | W58 P65 | W58-P60 HydrophobicContact CH2-CB 3.99Å; W58-P60 HydrophobicContact CZ3-CB 3.83Å; W58-P60 HydrophobicContact CZ3-CG 4.39Å; P60-P65 WeakPolarHBondContact CB-O 2.95Å |
| 61 | G | 86.9 | Confident | 89.7 | Confident | 24 Ų | 24 | 71.9 Ų | 71.9 | 25% | 0.247 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 131.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K63 N64 R67 | G61-K63 PolarHBondContact O-N 3.44Å; G61-N64 CarbonylContact O-C 3.5Å; G61-N64 PolarHBondContact O-N 3.41Å; G61-N64 VanDerWaalsContact O-O 3.04Å; G61-R67 VanDerWaalsContact CA-O 3.27Å; G61-R67 WeakPolarHBondContact CA-O 3.22Å; G61-R67 PolarHBondContact N-O 2.93Å |
| 62 | I | 86.4 | Confident | 89.6 | Confident | 181 Ų | 181 | 67.2 Ų | 67.2 | 93% | 0.928 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -33.2 | -178.4 | -57.8 | 166 | 0 | 0 | 0 | 113.2 | ||
| 63 | K | 83.1 | Confident | 88.8 | Confident | 214 Ų | 214 | 70.8 Ų | 70.8 | 93% | 0.93 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -18.2 | 179.1 | -65.1 | -174.5 | 179.2 | -179 | 0 | 114.7 | G61 | G61-K63 PolarHBondContact O-N 3.44Š|
| 64 | N | 84.9 | Confident | 88 | Confident | 53 Ų | 53 | 76.3 Ų | 76.3 | 28% | 0.283 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 102 | 178.6 | 175.2 | 6.3 | 0 | 0 | 0 | 108.4 | G61 Y66 R67 | G61-N64 CarbonylContact O-C 3.5Å; G61-N64 PolarHBondContact O-N 3.41Å; G61-N64 VanDerWaalsContact O-O 3.04Å; N64-Y66 PolarHBondContact O-N 2.94Å; N64-Y66 PolarHBondContact OD1-N 3.31Å; N64-Y66 VanDerWaalsContact OD1-N 3.11Å; N64-R67 HydrophobicContact CB-CB 4.14Å; N64-R67 WeakPolarHBondContact ND2-CB 3.46Å; N64-R67 PolarHBondContact O-N 2.87Å |
| 65 | P | 85.7 | Confident | 87.5 | Confident | 71 Ų | 71 | 72 Ų | 72 | 46% | 0.461 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | -15.8 | -177.5 | -28.2 | 36.2 | 0 | 0 | 0 | 115.4 | W58 P60 | W58-P65 WeakPolarHBondContact CH2-O 3.42Å; P60-P65 WeakPolarHBondContact CB-O 2.95Å |
| 66 | Y | 89.8 | Confident | 87.2 | Confident | 73 Ų | 73 | 71.7 Ų | 71.7 | 29% | 0.286 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -7.5 | 178.2 | -49.8 | -75.9 | 0 | 0 | 0 | 113.3 | E30 C31 K33 N64 | E30-Y66 CarbonylContact C-O 3.01Å; E30-Y66 WeakPolarHBondContact CA-O 3.45Å; C31-Y66 PolarHBondContact N-O 3.28Å; K33-Y66 HydrophobicContact CB-CE1 4.21Å; K33-Y66 HydrophobicContact CB-CE2 4.27Å; K33-Y66 HydrophobicContact CG-CD2 4Å; K33-Y66 HydrophobicContact CG-CE2 3.96Å; K33-Y66 HydrophobicContact CG-CG 4.37Å; K33-Y66 WeakPolarHBondContact O-CE1 3.13Å; N64-Y66 PolarHBondContact O-N 2.94Å; N64-Y66 PolarHBondContact OD1-N 3.31Å; N64-Y66 VanDerWaalsContact OD1-N 3.11Å |
| 67 | R | 91.8 | Very high | 87.1 | Confident | 120 Ų | 120 | 74.3 Ų | 74.3 | 45% | 0.453 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 95.6 | 172.9 | 179.1 | 175.8 | 161.6 | -132.3 | -1.1 | 108.8 | M28 E30 G61 N64 | M28-R67 HydrophobicContact CG-CG 4.44Å; M28-R67 PolarHBondContact SD-NE 3.4Å; M28-R67 PolarHBondContact SD-NH2 2.7Å; E30-R67 HydrophobicContact CB-CB 4.22Å; E30-R67 HydrophobicContact CB-CG 4.2Å; E30-R67 HydrophobicContact CG-CB 4.07Å; E30-R67 HydrophobicContact CG-CG 4.44Å; G61-R67 VanDerWaalsContact CA-O 3.27Å; G61-R67 WeakPolarHBondContact CA-O 3.22Å; G61-R67 PolarHBondContact N-O 2.93Å; N64-R67 HydrophobicContact CB-CB 4.14Å; N64-R67 WeakPolarHBondContact ND2-CB 3.46Å; N64-R67 PolarHBondContact O-N 2.87Å |
| 68 | G | 91.3 | Very high | 87.2 | Confident | 2 Ų | 2 | 72.1 Ų | 72.1 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V29 W58 Q59 | V29-G68 PolarHBondContact N-O 3.44Å; V29-G68 PolarHBondContact O-N 3.28Å; W58-G68 VanDerWaalsContact CE2-CA 3.44Å; W58-G68 VanDerWaalsContact CZ2-N 3.33Å; W58-G68 VanDerWaalsContact NE1-CA 3.33Å; Q59-G68 CarbonylContact O-C 3.58Å; Q59-G68 WeakPolarHBondContact O-CA 3.27Å |
| 69 | V | 92.9 | Very high | 87.2 | Confident | 38 Ų | 38 | 75.5 Ų | 75.5 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 144.9 | -176.8 | 69.1 | 0 | 0 | 0 | 0 | 110.4 | E26 L27 Q59 V71 | E26-V69 HydrophobicContact CG-CG2 3.48Å; E26-V69 VanDerWaalsContact CG-CG2 3.48Å; L27-V69 CarbonylContact O-C 3.51Å; L27-V69 WeakPolarHBondContact O-CA 3.35Å; Q59-V69 PolarHBondContact N-O 3.4Å; Q59-V69 PolarHBondContact O-N 3.4Å; V69-V71 HydrophobicContact CG1-CG2 4.19Å; V69-V71 HydrophobicContact CG2-CG2 3.81Å |
| 70 | V | 93.1 | Very high | 87.3 | Confident | 3 Ų | 3 | 70.3 Ų | 70.3 | 2% | 0.018 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.4 | 161.6 | 168.7 | 0 | 0 | 0 | 0 | 106.2 | L27 L40 H56 W58 W72 | L27-V70 HydrophobicContact CB-CB 4.19Å; L27-V70 PolarHBondContact N-O 2.99Å; L27-V70 PolarHBondContact O-N 2.93Å; L40-V70 HydrophobicContact CB-CG2 4.28Å; L40-V70 HydrophobicContact CD1-CG2 4.05Å; H56-V70 HydrophobicContact CB-CG1 3.49Å; H56-V70 VanDerWaalsContact CB-CG1 3.49Å; W58-V70 HydrophobicContact CB-CG2 4.09Å; V70-W72 HydrophobicContact CB-CH2 4.44Å; V70-W72 HydrophobicContact CB-CZ3 4.35Å; V70-W72 HydrophobicContact CG1-CD2 4.38Å; V70-W72 HydrophobicContact CG1-CE3 4.07Å; V70-W72 HydrophobicContact CG1-CH2 3.65Å; V70-W72 HydrophobicContact CG1-CZ2 3.98Å; V70-W72 HydrophobicContact CG1-CZ3 3.71Å |
| 71 | V | 89.4 | Confident | 87.4 | Confident | 83 Ų | 83 | 69.7 Ų | 69.7 | 50% | 0.503 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 137.2 | 176.2 | -177.5 | 0 | 0 | 0 | 0 | 108 | V69 P73 | V69-V71 HydrophobicContact CG1-CG2 4.19Å; V69-V71 HydrophobicContact CG2-CG2 3.81Å; V71-P73 WeakPolarHBondContact O-CD 3.34Å |
| 72 | W | 88.4 | Confident | 87.7 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 3% | 0.03 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 97.6 | 170.1 | -75.4 | -97.4 | 0 | 0 | 0 | 108.5 | Y24 Q25 L27 V42 H56 V70 V74 L150 | Y24-W72 HydrophobicContact CD2-CZ2 4.33Å; Y24-W72 HydrophobicContact CG-CZ2 4.39Å; Y24-W72 VanDerWaalsContact O-CB 3.31Å; Y24-W72 WeakPolarHBondContact O-CB 3.4Å; Q25-W72 PolarHBondContact O-N 3.34Å; L27-W72 HydrophobicContact CB-CH2 3.75Å; L27-W72 HydrophobicContact CB-CZ3 3.54Å; L27-W72 HydrophobicContact CD2-CH2 4.25Å; V42-W72 HydrophobicContact CG2-CH2 3.81Å; V42-W72 HydrophobicContact CG2-CZ2 4.19Å; H56-W72 AromaticContact CD2-NE1 3.45Å; H56-W72 PolarHBondContact CD2-NE1 3.34Å; H56-W72 AromaticContact CE1-CD1 3.47Å; H56-W72 VanDerWaalsContact CE1-CD1 3.47Å; H56-W72 AromaticContact CE1-NE1 3.45Å; H56-W72 PolarHBondContact CE1-NE1 2.84Å; H56-W72 AromaticContact CG-NE1 3.97Å; H56-W72 AromaticContact ND1-NE1 3.95Å; H56-W72 AromaticContact NE2-CD1 3.56Å; H56-W72 AromaticContact NE2-NE1 3.11Å; H56-W72 PolarHBondContact NE2-NE1 2.89Å; H56-W72 VanDerWaalsContact NE2-NE1 3.11Å; V70-W72 HydrophobicContact CB-CH2 4.44Å; V70-W72 HydrophobicContact CB-CZ3 4.35Å; V70-W72 HydrophobicContact CG1-CD2 4.38Å; V70-W72 HydrophobicContact CG1-CE3 4.07Å; V70-W72 HydrophobicContact CG1-CH2 3.65Å; V70-W72 HydrophobicContact CG1-CZ2 3.98Å; V70-W72 HydrophobicContact CG1-CZ3 3.71Å; W72-V74 PolarHBondContact O-N 3.47Å; W72-L150 HydrophobicContact CH2-CD1 4.42Å; W72-L150 HydrophobicContact CZ3-CD1 4.27Å |
| 73 | P | 73.8 | Confident | 88 | Confident | 119 Ų | 119 | 61 Ų | 61 | 77% | 0.773 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | -27.4 | -178.1 | 28.2 | -35.7 | 0 | 0 | 0 | 112.3 | V71 | V71-P73 WeakPolarHBondContact O-CD 3.34Å |
| 74 | V | 77.6 | Confident | 88.4 | Confident | 121 Ų | 121 | 50.9 Ų | 50.9 | 73% | 0.733 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.1 | 158.6 | 179.7 | 0 | 0 | 0 | 0 | 105.8 | W72 E76 | W72-V74 PolarHBondContact O-N 3.47Å; V74-E76 PolarHBondContact O-N 3.44Å |
| 75 | P | 79 | Confident | 88.7 | Confident | 54 Ų | 54 | 48.7 Ų | 48.7 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 125.5 | -177.6 | -28.9 | 37.1 | 0 | 0 | 0 | 112.8 | S23 Y24 N77 | S23-P75 WeakPolarHBondContact OG-CB 3.19Å; Y24-P75 WeakPolarHBondContact O-CA 3.17Å; Y24-P75 WeakPolarHBondContact O-CB 3.3Å; P75-N77 PolarHBondContact O-N 2.85Å |
| 76 | E | 84.3 | Confident | 89 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 13% | 0.131 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 115.8 | 176.3 | -175.7 | 169.7 | -144.6 | 0 | 0 | 110.1 | S23 Y24 S53 K54 H56 V74 I78 | S23-E76 WeakPolarHBondContact CA-O 3.42Å; Y24-E76 HydrophobicContact CD2-CB 4.37Å; Y24-E76 PolarHBondContact N-O 3.2Å; S53-E76 VanDerWaalsContact CA-OE2 3.29Å; S53-E76 WeakPolarHBondContact CA-OE2 3.26Å; S53-E76 WeakPolarHBondContact CB-OE2 3.49Å; K54-E76 VanDerWaalsContact CD-OE1 3.22Å; K54-E76 WeakPolarHBondContact CD-OE1 3.09Å; K54-E76 WeakPolarHBondContact CE-OE1 3.45Å; K54-E76 VanDerWaalsContact CG-OE1 3.22Å; K54-E76 WeakPolarHBondContact CG-OE1 3.37Å; K54-E76 PolarHBondContact N-OE1 3.43Å; K54-E76 PolarHBondContact N-OE2 2.83Å; H56-E76 IonicContact NE2-OE2 3.19Å; V74-E76 PolarHBondContact O-N 3.44Å; E76-I78 HydrophobicContact CG-CD1 3.85Å; E76-I78 HydrophobicContact CG-CG1 4.31Å |
| 77 | N | 90.1 | Very high | 88.9 | Confident | 105 Ų | 105 | 46.9 Ų | 46.9 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 101.8 | -179.1 | -70.3 | -26.1 | 0 | 0 | 0 | 110.6 | V21 S23 P75 | V21-N77 HydrophobicContact CG1-CB 3.79Å; S23-N77 WeakPolarHBondContact CB-OD1 3.3Å; S23-N77 PolarHBondContact OG-OD1 3.19Å; P75-N77 PolarHBondContact O-N 2.85Å |
| 78 | I | 91.3 | Very high | 88.4 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 131 | 171.4 | -53.3 | -57.8 | 0 | 0 | 0 | 109.1 | V21 A22 Y24 W44 K51 E76 | V21-I78 CarbonylContact C-O 3.57Å; V21-I78 WeakPolarHBondContact CA-O 3.41Å; A22-I78 PolarHBondContact N-O 2.75Å; A22-I78 PolarHBondContact O-N 2.69Å; Y24-I78 HydrophobicContact CD2-CG1 4.49Å; Y24-I78 HydrophobicContact CE2-CB 4.43Å; Y24-I78 HydrophobicContact CE2-CG1 3.66Å; W44-I78 HydrophobicContact CZ2-CB 4.36Å; W44-I78 HydrophobicContact CZ2-CG2 4.11Å; W44-I78 WeakPolarHBondContact CZ2-O 3.38Å; W44-I78 VanDerWaalsContact NE1-CG2 3.26Å; K51-I78 HydrophobicContact CB-CG2 3.95Å; E76-I78 HydrophobicContact CG-CD1 3.85Å; E76-I78 HydrophobicContact CG-CG1 4.31Å |
| 79 | E | 92.2 | Very high | 87.7 | Confident | 86 Ų | 86 | 53.2 Ų | 53.2 | 40% | 0.402 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 152.4 | -178.1 | 60 | 133.3 | -136.4 | 0 | 0 | 115 | Q19 F20 V21 | Q19-E79 PolarHBondContact NE2-OE2 3.08Å; F20-E79 WeakPolarHBondContact O-CA 3.24Å; V21-E79 HydrophobicContact CG1-CB 4.44Å; V21-E79 HydrophobicContact CG2-CB 4.09Å |
| 80 | I | 91.9 | Very high | 87.2 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 5% | 0.046 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 146.2 | 177.1 | 55.9 | 174.5 | 0 | 0 | 0 | 111.2 | F20 W44 K51 V82 W98 M121 | F20-I80 HydrophobicContact CB-CD1 4.15Å; F20-I80 HydrophobicContact CB-CG1 3.84Å; F20-I80 PolarHBondContact N-O 3.36Å; F20-I80 PolarHBondContact O-N 2.83Å; W44-I80 HydrophobicContact CD2-CD1 4.03Å; W44-I80 HydrophobicContact CD2-CG2 4.25Å; W44-I80 HydrophobicContact CE3-CD1 3.59Å; W44-I80 HydrophobicContact CE3-CG1 4.43Å; W44-I80 HydrophobicContact CH2-CB 4.41Å; W44-I80 HydrophobicContact CH2-CD1 3.44Å; W44-I80 VanDerWaalsContact CH2-CD1 3.44Å; W44-I80 HydrophobicContact CH2-CG1 3.43Å; W44-I80 VanDerWaalsContact CH2-CG1 3.43Å; W44-I80 HydrophobicContact CH2-CG2 4.31Å; W44-I80 HydrophobicContact CZ2-CB 4.08Å; W44-I80 HydrophobicContact CZ2-CD1 3.82Å; W44-I80 HydrophobicContact CZ2-CG1 3.58Å; W44-I80 HydrophobicContact CZ2-CG2 3.55Å; W44-I80 HydrophobicContact CZ3-CD1 3.3Å; W44-I80 HydrophobicContact CZ3-CG1 3.88Å; K51-I80 HydrophobicContact CG-CG2 4.27Å; I80-V82 HydrophobicContact CB-CG2 4.49Å; I80-V82 HydrophobicContact CD1-CG2 3.7Å; I80-V82 HydrophobicContact CG1-CG2 3.91Å; I80-W98 HydrophobicContact CB-CH2 3.82Å; I80-W98 HydrophobicContact CB-CZ2 3.83Å; I80-W98 HydrophobicContact CD1-CD2 4.13Å; I80-W98 HydrophobicContact CD1-CE3 4.5Å; I80-W98 HydrophobicContact CD1-CH2 3.79Å; I80-W98 HydrophobicContact CD1-CZ2 3.26Å; I80-W98 HydrophobicContact CD1-CZ3 4.38Å; I80-W98 HydrophobicContact CG1-CH2 4.36Å; I80-W98 HydrophobicContact CG1-CZ2 4.02Å; I80-W98 HydrophobicContact CG2-CH2 3.44Å; I80-W98 VanDerWaalsContact CG2-CH2 3.44Å; I80-W98 HydrophobicContact CG2-CZ2 3.98Å; I80-W98 HydrophobicContact CG2-CZ3 4.1Å; I80-M121 HydrophobicContact CD1-SD 4.15Å |
| 81 | T | 92.6 | Very high | 86.5 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 30% | 0.301 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 137.4 | 165.6 | -26.1 | 0 | 0 | 0 | 0 | 111.5 | K17 F18 R49 L159 | K17-T81 HydrophobicContact CD-CG2 4.42Å; K17-T81 HydrophobicContact CG-CG2 3.83Å; F18-T81 CarbonylContact O-C 3.59Å; F18-T81 WeakPolarHBondContact O-CA 3.27Å; F18-T81 WeakPolarHBondContact O-CG2 3.44Å; R49-T81 PolarHBondContact NH1-O 3.02Å; T81-L159 HydrophobicContact CG2-CD1 4.02Å |
| 82 | V | 92.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 95.7 | -169.8 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | F18 F20 I80 L84 K96 W98 M121 | F18-V82 PolarHBondContact N-O 3.45Å; F18-V82 PolarHBondContact O-N 3.22Å; F20-V82 HydrophobicContact CD2-CB 3.65Å; F20-V82 HydrophobicContact CD2-CG1 4.24Å; F20-V82 HydrophobicContact CD2-CG2 3.55Å; F20-V82 HydrophobicContact CE2-CB 3.72Å; F20-V82 HydrophobicContact CE2-CG1 3.87Å; F20-V82 HydrophobicContact CE2-CG2 4.05Å; I80-V82 HydrophobicContact CB-CG2 4.49Å; I80-V82 HydrophobicContact CD1-CG2 3.7Å; I80-V82 HydrophobicContact CG1-CG2 3.91Å; V82-L84 HydrophobicContact CG1-CG 4.42Å; V82-L84 PolarHBondContact O-N 3.12Å; V82-K96 HydrophobicContact CG1-CD 3.64Å; V82-K96 VanDerWaalsContact CG1-NZ 3.27Å; V82-W98 HydrophobicContact CG2-CZ2 4.02Å; V82-M121 HydrophobicContact CG1-CB 3.97Å; V82-M121 HydrophobicContact CG1-CG 4.01Å; V82-M121 HydrophobicContact CG2-SD 4.38Å |
| 83 | T | 92.3 | Very high | 86.5 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 15% | 0.147 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 110.8 | 166.3 | -35.2 | 0 | 0 | 0 | 0 | 111.3 | A15 S16 F85 K96 D168 | A15-T83 HydrophobicContact CB-CG2 3.88Å; S16-T83 CarbonylContact O-C 3.46Å; S16-T83 WeakPolarHBondContact O-CA 3.34Å; T83-F85 HydrophobicContact CG2-CE2 4.35Å; T83-F85 HydrophobicContact CG2-CZ 4.15Å; T83-K96 VanDerWaalsContact N-NZ 3.16Å; T83-K96 WeakPolarHBondContact O-CD 3.46Å; T83-K96 WeakPolarHBondContact O-CE 3.48Å; T83-K96 PolarHBondContact O-NZ 2.95Å; T83-D168 HydrophobicContact CG2-CB 4.08Å |
| 84 | L | 92.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 157.1 | 165.1 | -70.2 | 170.8 | 0 | 0 | 0 | 109.4 | A15 S16 F18 V82 F93 K96 A125 | A15-L84 WeakPolarHBondContact CA-O 3.02Å; S16-L84 PolarHBondContact N-O 3.37Å; S16-L84 PolarHBondContact O-N 3.31Å; F18-L84 HydrophobicContact CD2-CB 4.36Å; F18-L84 HydrophobicContact CD2-CD1 3.92Å; F18-L84 HydrophobicContact CD2-CG 4.23Å; F18-L84 HydrophobicContact CE2-CB 4.1Å; F18-L84 HydrophobicContact CE2-CD1 3.77Å; F18-L84 HydrophobicContact CE2-CG 4.28Å; V82-L84 HydrophobicContact CG1-CG 4.42Å; V82-L84 PolarHBondContact O-N 3.12Å; L84-F93 HydrophobicContact CB-CB 4.08Å; L84-F93 HydrophobicContact CB-CD1 3.68Å; L84-F93 HydrophobicContact CB-CE1 4.31Å; L84-F93 HydrophobicContact CB-CG 3.88Å; L84-F93 HydrophobicContact CD1-CB 4.15Å; L84-F93 HydrophobicContact CD1-CD1 4.49Å; L84-F93 HydrophobicContact CD1-CD2 3.97Å; L84-F93 HydrophobicContact CD1-CG 3.94Å; L84-F93 HydrophobicContact CD2-CB 4.47Å; L84-F93 HydrophobicContact CG-CB 4.47Å; L84-F93 HydrophobicContact CG-CG 4.46Å; L84-K96 HydrophobicContact CD2-CB 3.42Å; L84-K96 VanDerWaalsContact CD2-CB 3.42Å; L84-K96 HydrophobicContact CD2-CD 3.63Å; L84-K96 HydrophobicContact CD2-CG 4.14Å; L84-K96 HydrophobicContact CG-CD 4.43Å; L84-A125 HydrophobicContact CD1-CB 3.3Å |
| 85 | F | 91 | Very high | 88 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144.3 | 174.7 | -64.1 | -90.9 | 0 | 0 | 0 | 108.7 | R10 K13 H14 A15 T83 F93 E94 A164 D168 | R10-F85 HydrophobicContact CB-CE1 4.42Å; R10-F85 HydrophobicContact CG-CD1 4.33Å; R10-F85 HydrophobicContact CG-CE1 4.32Å; R10-F85 VanDerWaalsContact NH2-CE2 3.26Å; K13-F85 HydrophobicContact CB-CD1 4.35Å; K13-F85 HydrophobicContact CD-CB 4.27Å; H14-F85 CarbonylContact O-C 3.6Å; H14-F85 VanDerWaalsContact O-CA 3.23Å; H14-F85 WeakPolarHBondContact O-CA 3.28Å; A15-F85 HydrophobicContact CB-CD1 4.02Å; A15-F85 HydrophobicContact CB-CE1 3.79Å; T83-F85 HydrophobicContact CG2-CE2 4.35Å; T83-F85 HydrophobicContact CG2-CZ 4.15Å; F85-F93 CarbonylContact O-C 3.6Å; F85-F93 WeakPolarHBondContact O-CA 3.44Å; F85-E94 HydrophobicContact CB-CG 4.33Å; F85-E94 PolarHBondContact O-N 2.77Å; F85-A164 HydrophobicContact CD1-CB 4.31Å; F85-A164 HydrophobicContact CE1-CB 3.94Å; F85-D168 WeakPolarHBondContact CZ-O 3.29Å |
| 86 | K | 90.8 | Very high | 88.7 | Confident | 40 Ų | 40 | 61 Ų | 61 | 17% | 0.174 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 150.7 | 167.3 | 64.7 | -175.6 | -177.3 | -162.2 | 0 | 109.4 | H14 E92 F93 E161 | H14-K86 HydrophobicContact CB-CG 3.91Å; H14-K86 PolarHBondContact N-O 3.12Å; H14-K86 PolarHBondContact O-N 3.18Å; K86-E92 VanDerWaalsContact CB-O 3.29Å; K86-E92 WeakPolarHBondContact CB-O 3.49Å; K86-F93 HydrophobicContact CB-CD1 3.83Å; K86-F93 HydrophobicContact CB-CE1 4.23Å; K86-F93 HydrophobicContact CD-CD1 4.17Å; K86-F93 HydrophobicContact CD-CE1 3.72Å; K86-F93 HydrophobicContact CD-CZ 4.33Å; K86-F93 HydrophobicContact CG-CD1 4.18Å; K86-F93 HydrophobicContact CG-CE1 4.07Å; K86-E161 WeakPolarHBondContact CE-OE1 3.17Å; K86-E161 WeakPolarHBondContact CE-OE2 3.34Å; K86-E161 IonicContact NZ-OE1 2.71Å; K86-E161 PolarHBondContact NZ-OE1 3.47Å; K86-E161 IonicContact NZ-OE2 3.74Å; K86-E161 PolarHBondContact NZ-OE2 2.98Å |
| 87 | D | 87.3 | Confident | 89.1 | Confident | 66 Ų | 66 | 65.4 Ų | 65.4 | 35% | 0.353 | 33% | 0.331 | S | S | . | . | trans | -75 | 150.2 | 174.5 | -70.2 | -58.8 | 0 | 0 | 0 | 110.3 | K13 H89 A90 | K13-D87 WeakPolarHBondContact CE-OD1 3.47Å; K13-D87 WeakPolarHBondContact CG-OD1 3.09Å; K13-D87 IonicContact NZ-OD1 3.83Å; K13-D87 PolarHBondContact NZ-OD1 3.45Å; K13-D87 IonicContact NZ-OD2 2.76Å; K13-D87 PolarHBondContact NZ-OD2 2.94Å; D87-H89 PolarHBondContact O-N 2.87Å; D87-A90 HydrophobicContact CB-CB 4Å; D87-A90 PolarHBondContact O-N 2.99Å; D87-A90 VanDerWaalsContact O-O 3.11Å | ||
| 88 | P | 82.1 | Confident | 89.3 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 43% | 0.429 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -14.7 | -179.9 | -26.4 | 36.2 | 0 | 0 | 0 | 115.6 | G12 | G12-P88 WeakPolarHBondContact O-CD 3.48Å; G12-P88 WeakPolarHBondContact O-CG 3.45Å |
| 89 | H | 77 | Confident | 89.5 | Confident | 189 Ų | 189 | 62 Ų | 62 | 88% | 0.875 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | 12 | -179.9 | -50.4 | -59 | 0 | 0 | 0 | 112.3 | D87 | D87-H89 PolarHBondContact O-N 2.87Š|
| 90 | A | 82.6 | Confident | 89.7 | Confident | 39 Ų | 39 | 58 Ų | 58 | 32% | 0.322 | 30% | 0.296 | S | S | . | . | trans | -123.5 | 125.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110 | D87 E92 | D87-A90 HydrophobicContact CB-CB 4Å; D87-A90 PolarHBondContact O-N 2.99Å; D87-A90 VanDerWaalsContact O-O 3.11Å; A90-E92 VanDerWaalsContact C-N 3.26Å | ||
| 91 | E | 78.6 | Confident | 89.9 | Confident | 192 Ų | 192 | 58.4 Ų | 58.4 | 90% | 0.897 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -74.7 | -22.1 | 176.4 | -61.2 | -178.4 | 158.6 | 0 | 0 | 111.6 | ||
| 92 | E | 86.4 | Confident | 90 | Very high | 136 Ų | 136 | 56.1 Ų | 56.1 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -88.3 | 146 | 177.9 | -69.8 | -170.8 | -150 | 0 | 0 | 114.4 | K86 A90 K122 | K86-E92 VanDerWaalsContact CB-O 3.29Å; K86-E92 WeakPolarHBondContact CB-O 3.49Å; A90-E92 VanDerWaalsContact C-N 3.26Å; E92-K122 VanDerWaalsContact OE2-CE 3.25Å; E92-K122 WeakPolarHBondContact OE2-CE 3.47Å; E92-K122 IonicContact OE2-NZ 3.14Å; E92-K122 PolarHBondContact OE2-NZ 2.94Å |
| 93 | F | 91.6 | Very high | 90.2 | Very high | 29 Ų | 29 | 56.7 Ų | 56.7 | 13% | 0.127 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -76.2 | 158.2 | 169.7 | -60.8 | -67.2 | 0 | 0 | 0 | 113.8 | S16 F18 L84 F85 K86 K122 A125 | S16-F93 WeakPolarHBondContact OG-CE1 3.36Å; F18-F93 HydrophobicContact CE2-CE1 4.31Å; F18-F93 HydrophobicContact CE2-CE2 4.18Å; F18-F93 AromaticContact CE2-CZ 3.93Å; F18-F93 HydrophobicContact CE2-CZ 3.93Å; F18-F93 HydrophobicContact CZ-CE1 4.48Å; F18-F93 AromaticContact CZ-CE2 3.84Å; F18-F93 HydrophobicContact CZ-CE2 3.84Å; F18-F93 AromaticContact CZ-CZ 3.69Å; F18-F93 HydrophobicContact CZ-CZ 3.69Å; L84-F93 HydrophobicContact CB-CB 4.08Å; L84-F93 HydrophobicContact CB-CD1 3.68Å; L84-F93 HydrophobicContact CB-CE1 4.31Å; L84-F93 HydrophobicContact CB-CG 3.88Å; L84-F93 HydrophobicContact CD1-CB 4.15Å; L84-F93 HydrophobicContact CD1-CD1 4.49Å; L84-F93 HydrophobicContact CD1-CD2 3.97Å; L84-F93 HydrophobicContact CD1-CG 3.94Å; L84-F93 HydrophobicContact CD2-CB 4.47Å; L84-F93 HydrophobicContact CG-CB 4.47Å; L84-F93 HydrophobicContact CG-CG 4.46Å; F85-F93 CarbonylContact O-C 3.6Å; F85-F93 WeakPolarHBondContact O-CA 3.44Å; K86-F93 HydrophobicContact CB-CD1 3.83Å; K86-F93 HydrophobicContact CB-CE1 4.23Å; K86-F93 HydrophobicContact CD-CD1 4.17Å; K86-F93 HydrophobicContact CD-CE1 3.72Å; K86-F93 HydrophobicContact CD-CZ 4.33Å; K86-F93 HydrophobicContact CG-CD1 4.18Å; K86-F93 HydrophobicContact CG-CE1 4.07Å; F93-K122 HydrophobicContact CB-CG 4.26Å; F93-K122 VanDerWaalsContact O-CD 3.23Å; F93-K122 WeakPolarHBondContact O-CD 3.4Å; F93-K122 WeakPolarHBondContact O-CE 3.14Å; F93-K122 PolarHBondContact O-NZ 3.37Å; F93-A125 HydrophobicContact CD2-CB 4.37Å; F93-A125 HydrophobicContact CE2-CB 4.44Å |
| 94 | E | 90.6 | Very high | 90.2 | Very high | 66 Ų | 66 | 56 Ų | 56 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 144.6 | 164.5 | -70.1 | -175.2 | 170.5 | 0 | 0 | 111.8 | K13 F85 K96 | K13-E94 WeakPolarHBondContact CD-OE1 3.21Å; K13-E94 VanDerWaalsContact CE-OE1 3.23Å; K13-E94 WeakPolarHBondContact CE-OE1 3.38Å; K13-E94 IonicContact NZ-OE1 3.96Å; K13-E94 PolarHBondContact NZ-OE1 3.12Å; F85-E94 HydrophobicContact CB-CG 4.33Å; F85-E94 PolarHBondContact O-N 2.77Å; E94-K96 PolarHBondContact O-N 3.19Å |
| 95 | D | 92.1 | Very high | 90.2 | Very high | 107 Ų | 107 | 57.5 Ų | 57.5 | 57% | 0.572 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 134.6 | 175.5 | -68.7 | -33.9 | 0 | 0 | 0 | 112.5 | N120 K122 | D95-N120 PolarHBondContact OD1-ND2 3.1Å; D95-K122 WeakPolarHBondContact OD1-CD 3.36Å; D95-K122 IonicContact OD1-NZ 2.81Å |
| 96 | K | 92.4 | Very high | 89.7 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 9% | 0.087 | 30% | 0.3 | C | S | . | . | trans | -140.7 | 67.6 | -173.4 | -159.3 | 178.4 | 170.8 | -174.2 | 0 | 112 | R46 V82 T83 L84 E94 W98 N120 M121 | R46-K96 VanDerWaalsContact CZ-CG 3.43Å; V82-K96 HydrophobicContact CG1-CD 3.64Å; V82-K96 VanDerWaalsContact CG1-NZ 3.27Å; T83-K96 VanDerWaalsContact N-NZ 3.16Å; T83-K96 WeakPolarHBondContact O-CD 3.46Å; T83-K96 WeakPolarHBondContact O-CE 3.48Å; T83-K96 PolarHBondContact O-NZ 2.95Å; L84-K96 HydrophobicContact CD2-CB 3.42Å; L84-K96 VanDerWaalsContact CD2-CB 3.42Å; L84-K96 HydrophobicContact CD2-CD 3.63Å; L84-K96 HydrophobicContact CD2-CG 4.14Å; L84-K96 HydrophobicContact CG-CD 4.43Å; E94-K96 PolarHBondContact O-N 3.19Å; K96-W98 PolarHBondContact O-N 3.09Å; K96-N120 PolarHBondContact N-OD1 3.21Å; K96-M121 HydrophobicContact CB-CB 4.48Å; K96-M121 WeakPolarHBondContact O-CG 3.06Å; K96-M121 PolarHBondContact O-N 3.41Å | ||
| 97 | E | 93 | Very high | 89 | Confident | 120 Ų | 120 | 64.3 Ų | 64.3 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 132.3 | 171.9 | -59.6 | -173.5 | 126.8 | 0 | 0 | 112.8 | R46 I119 | R46-E97 VanDerWaalsContact CD-O 3.24Å; R46-E97 WeakPolarHBondContact CD-O 3.34Å; R46-E97 PolarHBondContact NE-O 3Å; E97-I119 CarbonylContact C-O 3.51Å; E97-I119 WeakPolarHBondContact CA-O 3.48Å |
| 98 | W | 94.3 | Very high | 88.5 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 1% | 0.011 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 159.5 | 157.6 | -78.8 | 74.4 | 0 | 0 | 0 | 109.3 | W44 T45 R46 I80 V82 K96 S118 I119 M121 | W44-W98 HydrophobicContact CB-CE3 4.38Å; W44-W98 HydrophobicContact CG-CE3 4.5Å; T45-W98 VanDerWaalsContact C-CE3 3.47Å; R46-W98 HydrophobicContact CB-CD2 3.59Å; R46-W98 HydrophobicContact CB-CE3 3.57Å; R46-W98 HydrophobicContact CB-CG 4.01Å; R46-W98 HydrophobicContact CB-CZ3 4.09Å; R46-W98 HydrophobicContact CG-CD2 4.45Å; R46-W98 HydrophobicContact CG-CG 4.48Å; I80-W98 HydrophobicContact CB-CH2 3.82Å; I80-W98 HydrophobicContact CB-CZ2 3.83Å; I80-W98 HydrophobicContact CD1-CD2 4.13Å; I80-W98 HydrophobicContact CD1-CE3 4.5Å; I80-W98 HydrophobicContact CD1-CH2 3.79Å; I80-W98 HydrophobicContact CD1-CZ2 3.26Å; I80-W98 HydrophobicContact CD1-CZ3 4.38Å; I80-W98 HydrophobicContact CG1-CH2 4.36Å; I80-W98 HydrophobicContact CG1-CZ2 4.02Å; I80-W98 HydrophobicContact CG2-CH2 3.44Å; I80-W98 VanDerWaalsContact CG2-CH2 3.44Å; I80-W98 HydrophobicContact CG2-CZ2 3.98Å; I80-W98 HydrophobicContact CG2-CZ3 4.1Å; V82-W98 HydrophobicContact CG2-CZ2 4.02Å; K96-W98 PolarHBondContact O-N 3.09Å; W98-S118 VanDerWaalsContact O-CA 3.3Å; W98-S118 WeakPolarHBondContact O-CA 3.28Å; W98-I119 HydrophobicContact CB-CG2 4.44Å; W98-I119 PolarHBondContact N-O 3.33Å; W98-I119 PolarHBondContact O-N 3.18Å; W98-M121 HydrophobicContact CG-CG 4.31Å |
| 99 | T | 95.2 | Very high | 88.1 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 33% | 0.331 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.1 | -179 | -56.4 | 0 | 0 | 0 | 0 | 109.3 | W44 T45 V101 T116 S117 | W44-T99 CarbonylContact C-O 3.45Å; W44-T99 WeakPolarHBondContact CA-O 3.48Å; T45-T99 HydrophobicContact CG2-CG2 4.49Å; T45-T99 WeakPolarHBondContact CG2-O 3.36Å; T45-T99 PolarHBondContact N-O 2.79Å; T45-T99 PolarHBondContact O-N 3.27Å; T99-V101 HydrophobicContact CG2-CG2 4.2Å; T99-T116 WeakPolarHBondContact CG2-OG1 3.44Å; T99-S117 CarbonylContact C-O 3.56Å; T99-S117 WeakPolarHBondContact CA-O 3.42Å |
| 100 | F | 96.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 141.6 | 168.2 | -76.9 | -121.2 | 0 | 0 | 0 | 108.8 | Y24 V42 V43 W44 T116 S117 I119 L136 F138 L150 F152 | Y24-F100 HydrophobicContact CE1-CE1 4.11Å; V42-F100 HydrophobicContact CG1-CD1 3.99Å; V43-F100 CarbonylContact O-C 3.58Å; V43-F100 WeakPolarHBondContact O-CA 3.37Å; W44-F100 HydrophobicContact CB-CD1 4.23Å; W44-F100 HydrophobicContact CB-CD2 3.87Å; W44-F100 HydrophobicContact CB-CE1 4.15Å; W44-F100 HydrophobicContact CB-CE2 3.75Å; W44-F100 HydrophobicContact CB-CG 4.11Å; W44-F100 HydrophobicContact CB-CZ 3.92Å; W44-F100 HydrophobicContact CD2-CE2 4.33Å; W44-F100 AromaticContact CD2-CZ 3.97Å; W44-F100 HydrophobicContact CD2-CZ 3.97Å; W44-F100 HydrophobicContact CE3-CE1 4.29Å; W44-F100 AromaticContact CE3-CE2 3.64Å; W44-F100 HydrophobicContact CE3-CE2 3.64Å; W44-F100 AromaticContact CE3-CZ 3.34Å; W44-F100 HydrophobicContact CE3-CZ 3.34Å; W44-F100 HydrophobicContact CG-CE2 4.45Å; W44-F100 HydrophobicContact CG-CZ 4.27Å; W44-F100 HydrophobicContact CZ3-CZ 4.05Å; F100-T116 CarbonylContact O-C 3.58Å; F100-T116 WeakPolarHBondContact O-CA 3.45Å; F100-T116 WeakPolarHBondContact O-CB 3.42Å; F100-T116 PolarHBondContact O-OG1 2.8Å; F100-S117 PolarHBondContact N-O 3.18Å; F100-S117 PolarHBondContact O-N 2.93Å; F100-I119 HydrophobicContact CD2-CG2 3.7Å; F100-I119 HydrophobicContact CE2-CG2 3.44Å; F100-I119 VanDerWaalsContact CE2-CG2 3.44Å; F100-L136 HydrophobicContact CB-CD1 4.35Å; F100-L136 HydrophobicContact CD1-CD1 4.29Å; F100-L136 HydrophobicContact CD2-CD1 3.96Å; F100-L136 HydrophobicContact CE2-CD1 4.34Å; F100-L136 HydrophobicContact CG-CD1 3.95Å; F100-F138 HydrophobicContact CB-CE1 3.69Å; F100-F138 HydrophobicContact CB-CZ 3.65Å; F100-L150 HydrophobicContact CD1-CD2 3.92Å; F100-L150 HydrophobicContact CE1-CD2 4.17Å; F100-F152 HydrophobicContact CE1-CE1 4.16Å; F100-F152 HydrophobicContact CE1-CE2 4.12Å; F100-F152 AromaticContact CE1-CZ 3.83Å; F100-F152 HydrophobicContact CE1-CZ 3.83Å; F100-F152 HydrophobicContact CE2-CZ 4.38Å; F100-F152 HydrophobicContact CZ-CE1 4.36Å; F100-F152 AromaticContact CZ-CE2 3.87Å; F100-F152 HydrophobicContact CZ-CE2 3.87Å; F100-F152 AromaticContact CZ-CZ 3.62Å; F100-F152 HydrophobicContact CZ-CZ 3.62Å |
| 101 | V | 95.9 | Very high | 88.7 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 136.5 | 178.3 | -175.2 | 0 | 0 | 0 | 0 | 107.5 | V43 T45 T99 E103 A113 A115 | V43-V101 HydrophobicContact CB-CB 4.4Å; V43-V101 PolarHBondContact N-O 3.27Å; V43-V101 PolarHBondContact O-N 2.62Å; T45-V101 HydrophobicContact CG2-CG2 4.15Å; T99-V101 HydrophobicContact CG2-CG2 4.2Å; V101-E103 HydrophobicContact CG1-CG 3.97Å; V101-A113 HydrophobicContact CG1-CB 3.8Å; V101-A115 CarbonylContact C-O 3.59Å; V101-A115 WeakPolarHBondContact CA-O 3.04Å |
| 102 | I | 95.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.5 | 168.6 | -63.3 | 155.3 | 0 | 0 | 0 | 106.9 | L27 L40 V41 L114 A115 F138 A148 | L27-I102 HydrophobicContact CD1-CD1 3.58Å; L27-I102 HydrophobicContact CD1-CG1 4.08Å; L27-I102 HydrophobicContact CD2-CG1 4.31Å; L27-I102 HydrophobicContact CD2-CG2 4.16Å; L40-I102 HydrophobicContact CD2-CG2 4.09Å; V41-I102 WeakPolarHBondContact O-CA 3.45Å; I102-L114 HydrophobicContact CG2-CD1 4.29Å; I102-L114 PolarHBondContact O-N 3.37Å; I102-A115 HydrophobicContact CD1-CB 4.4Å; I102-A115 PolarHBondContact N-O 2.95Å; I102-F138 HydrophobicContact CD1-CB 4.24Å; I102-F138 HydrophobicContact CD1-CD1 3.47Å; I102-F138 VanDerWaalsContact CD1-CD1 3.47Å; I102-F138 HydrophobicContact CD1-CD2 4Å; I102-F138 HydrophobicContact CD1-CE1 3.74Å; I102-F138 HydrophobicContact CD1-CE2 4.26Å; I102-F138 HydrophobicContact CD1-CG 3.64Å; I102-F138 HydrophobicContact CD1-CZ 4.14Å; I102-F138 HydrophobicContact CG1-CD1 3.83Å; I102-F138 HydrophobicContact CG1-CE1 3.68Å; I102-F138 HydrophobicContact CG1-CG 4.48Å; I102-F138 HydrophobicContact CG1-CZ 4.21Å; I102-A148 HydrophobicContact CD1-CB 3.59Å |
| 103 | E | 95.3 | Very high | 89.6 | Confident | 13 Ų | 13 | 51.3 Ų | 51.3 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.3 | 179.7 | -52.8 | -170.1 | 129.5 | 0 | 0 | 110.9 | L40 V41 V43 R50 V101 K112 | L40-E103 WeakPolarHBondContact CA-O 3.35Å; V41-E103 HydrophobicContact CB-CB 4.47Å; V41-E103 PolarHBondContact N-O 2.59Å; V41-E103 PolarHBondContact O-N 3.24Å; V43-E103 HydrophobicContact CG2-CG 4.1Å; V43-E103 VanDerWaalsContact CG2-OE2 3.3Å; V43-E103 WeakPolarHBondContact CG2-OE2 3.43Å; R50-E103 IonicContact CZ-OE1 3.74Å; R50-E103 IonicContact CZ-OE2 3.22Å; R50-E103 IonicContact NH2-OE1 2.9Å; R50-E103 PolarHBondContact NH2-OE1 3.3Å; R50-E103 IonicContact NH2-OE2 3.8Å; R50-E103 PolarHBondContact NH2-OE2 3.03Å; V101-E103 HydrophobicContact CG1-CG 3.97Å; E103-K112 CarbonylContact C-O 3.49Å; E103-K112 WeakPolarHBondContact CA-O 3.49Å |
| 104 | N | 93.7 | Very high | 89.7 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.053 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 128.1 | 163.4 | -169 | 72.5 | 0 | 0 | 0 | 108.8 | W35 P37 D38 K39 R111 K112 L114 | W35-N104 HydrophobicContact CH2-CB 4.27Å; W35-N104 HydrophobicContact CZ2-CB 4.21Å; P37-N104 WeakPolarHBondContact CA-OD1 3.16Å; P37-N104 WeakPolarHBondContact CB-OD1 3.48Å; D38-N104 PolarHBondContact N-OD1 3Å; D38-N104 VanDerWaalsContact N-OD1 3.09Å; D38-N104 PolarHBondContact OD2-ND2 3.05Å; K39-N104 WeakPolarHBondContact O-CA 3.43Å; K39-N104 PolarHBondContact O-OD1 2.83Å; N104-R111 CarbonylContact O-C 3.57Å; N104-R111 VanDerWaalsContact O-CA 3.29Å; N104-R111 WeakPolarHBondContact O-CA 3.05Å; N104-K112 PolarHBondContact N-O 3.48Å; N104-K112 PolarHBondContact O-N 3.3Å; N104-L114 HydrophobicContact CB-CD1 4.11Å; N104-L114 HydrophobicContact CB-CD2 4.12Å; N104-L114 HydrophobicContact CB-CG 4.25Å |
| 105 | E | 91.8 | Very high | 90 | Very high | 31 Ų | 31 | 47 Ų | 47 | 15% | 0.145 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 112 | 164.8 | -175.2 | 169.8 | -92.5 | 0 | 0 | 108.4 | K39 V41 S55 R111 | K39-E105 HydrophobicContact CB-CB 4.47Å; K39-E105 PolarHBondContact O-N 2.7Å; V41-E105 HydrophobicContact CG2-CB 4.34Å; S55-E105 WeakPolarHBondContact CB-OE2 3.22Å; S55-E105 PolarHBondContact OG-OE2 2.73Å; E105-R111 HydrophobicContact CB-CG 4.22Å; E105-R111 HydrophobicContact CG-CG 4.22Å; E105-R111 IonicContact OE1-CZ 2.96Å; E105-R111 IonicContact OE1-NE 2.68Å; E105-R111 PolarHBondContact OE1-NE 2.77Å; E105-R111 IonicContact OE1-NH2 2.9Å; E105-R111 PolarHBondContact OE1-NH2 3.13Å |
| 106 | S | 82 | Confident | 90.2 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | trans | -61.5 | 159.3 | 176 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | S108 G109 R110 | S106-S108 WeakPolarHBondContact CB-OG 3.31Å; S106-S108 PolarHBondContact O-N 3.33Å; S106-S108 VanDerWaalsContact O-N 3.12Å; S106-S108 PolarHBondContact OG-N 3.15Å; S106-S108 PolarHBondContact OG-OG 3Å; S106-G109 PolarHBondContact O-N 2.78Å; S106-R110 VanDerWaalsContact CB-O 3.32Å; S106-R110 WeakPolarHBondContact CB-O 3.49Å; S106-R110 PolarHBondContact N-O 3.42Å | ||
| 107 | L | 75.4 | Confident | 90.4 | Very high | 156 Ų | 156 | 43.3 Ų | 43.3 | 82% | 0.817 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -25.9 | 165.6 | -60.1 | 177.6 | 0 | 0 | 0 | 112.9 | D38 | D38-L107 HydrophobicContact CB-CD2 4.44Š|
| 108 | S | 76.1 | Confident | 90.4 | Very high | 86 Ų | 86 | 40.7 Ų | 40.7 | 60% | 0.601 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 2.3 | 173.6 | 60.8 | 0 | 0 | 0 | 0 | 114.9 | S106 R110 | S106-S108 WeakPolarHBondContact CB-OG 3.31Å; S106-S108 PolarHBondContact O-N 3.33Å; S106-S108 VanDerWaalsContact O-N 3.12Å; S106-S108 PolarHBondContact OG-N 3.15Å; S106-S108 PolarHBondContact OG-OG 3Å; S108-R110 PolarHBondContact O-N 3Å |
| 109 | G | 74.6 | Confident | 90.5 | Very high | 45 Ų | 45 | 40.9 Ų | 40.9 | 46% | 0.464 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 77.8 | -11.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S106 R111 | S106-G109 PolarHBondContact O-N 2.78Å; G109-R111 PolarHBondContact O-N 2.87Å |
| 110 | R | 81.6 | Confident | 90.4 | Very high | 63 Ų | 63 | 39.4 Ų | 39.4 | 24% | 0.238 | 23% | 0.227 | C | C | . | . | trans | -56.8 | 130 | 170.7 | -72.1 | -170.8 | -176.4 | 163.1 | 3 | 109.8 | S106 S108 D187 E190 E191 | S106-R110 VanDerWaalsContact CB-O 3.32Å; S106-R110 WeakPolarHBondContact CB-O 3.49Å; S106-R110 PolarHBondContact N-O 3.42Å; S108-R110 PolarHBondContact O-N 3Å; R110-D187 IonicContact CZ-OD1 3.3Å; R110-D187 IonicContact CZ-OD2 3.82Å; R110-D187 VanDerWaalsContact CZ-OD2 3.25Å; R110-D187 VanDerWaalsContact NE-CG 3.29Å; R110-D187 IonicContact NE-OD1 3.8Å; R110-D187 IonicContact NE-OD2 2.63Å; R110-D187 PolarHBondContact NE-OD2 3.11Å; R110-D187 IonicContact NH2-OD1 2.83Å; R110-D187 PolarHBondContact NH2-OD1 2.87Å; R110-D187 IonicContact NH2-OD2 2.97Å; R110-D187 PolarHBondContact NH2-OD2 2.75Å; R110-D187 VanDerWaalsContact NH2-OD2 3.12Å; R110-E190 IonicContact NH2-OE2 2.84Å; R110-E190 PolarHBondContact NH2-OE2 3.36Å; R110-E191 WeakPolarHBondContact CD-OE1 3.11Å; R110-E191 IonicContact CZ-OE1 3.06Å; R110-E191 IonicContact NE-OE1 3.88Å; R110-E191 IonicContact NH1-OE1 3.72Å; R110-E191 PolarHBondContact NH1-OE1 3.26Å | ||
| 111 | R | 89.9 | Confident | 90.3 | Very high | 103 Ų | 103 | 39.4 Ų | 39.4 | 39% | 0.389 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.5 | 178.6 | -69.5 | -174.9 | 178.5 | -174.6 | -0.7 | 111.8 | N104 E105 G109 | N104-R111 CarbonylContact O-C 3.57Å; N104-R111 VanDerWaalsContact O-CA 3.29Å; N104-R111 WeakPolarHBondContact O-CA 3.05Å; E105-R111 HydrophobicContact CB-CG 4.22Å; E105-R111 HydrophobicContact CG-CG 4.22Å; E105-R111 IonicContact OE1-CZ 2.96Å; E105-R111 IonicContact OE1-NE 2.68Å; E105-R111 PolarHBondContact OE1-NE 2.77Å; E105-R111 IonicContact OE1-NH2 2.9Å; E105-R111 PolarHBondContact OE1-NH2 3.13Å; G109-R111 PolarHBondContact O-N 2.87Å |
| 112 | K | 91.1 | Very high | 90.2 | Very high | 74 Ų | 74 | 40.9 Ų | 40.9 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.3 | -179 | -51.9 | -171.7 | -165.7 | -166.9 | 0 | 111.6 | E103 N104 L114 E191 | E103-K112 CarbonylContact C-O 3.49Å; E103-K112 WeakPolarHBondContact CA-O 3.49Å; N104-K112 PolarHBondContact N-O 3.48Å; N104-K112 PolarHBondContact O-N 3.3Å; K112-L114 PolarHBondContact O-N 3.32Å; K112-E191 WeakPolarHBondContact CE-OE1 3.34Å; K112-E191 WeakPolarHBondContact CE-OE2 3.37Å; K112-E191 IonicContact NZ-OE1 3.09Å; K112-E191 PolarHBondContact NZ-OE1 3.46Å; K112-E191 IonicContact NZ-OE2 2.7Å; K112-E191 PolarHBondContact NZ-OE2 3.05Å |
| 113 | A | 93.4 | Very high | 90.1 | Very high | 44 Ų | 44 | 47.3 Ų | 47.3 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 123.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V101 L141 | V101-A113 HydrophobicContact CG1-CB 3.8Å; A113-L141 HydrophobicContact CB-CD2 4.22Å |
| 114 | L | 93.9 | Very high | 90.1 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -42.4 | -177.2 | -59.2 | -175.9 | 0 | 0 | 0 | 113.3 | W35 L40 I102 N104 K112 L141 S142 V145 | W35-L114 HydrophobicContact CH2-CD1 3.79Å; W35-L114 HydrophobicContact CH2-CD2 3.71Å; W35-L114 HydrophobicContact CH2-CG 4.42Å; W35-L114 HydrophobicContact CZ2-CD2 4.4Å; W35-L114 HydrophobicContact CZ3-CD1 4.28Å; W35-L114 HydrophobicContact CZ3-CD2 4.35Å; L40-L114 HydrophobicContact CD2-CD1 3.53Å; I102-L114 HydrophobicContact CG2-CD1 4.29Å; I102-L114 PolarHBondContact O-N 3.37Å; N104-L114 HydrophobicContact CB-CD1 4.11Å; N104-L114 HydrophobicContact CB-CD2 4.12Å; N104-L114 HydrophobicContact CB-CG 4.25Å; K112-L114 PolarHBondContact O-N 3.32Å; L114-L141 PolarHBondContact O-N 2.86Å; L114-S142 PolarHBondContact O-N 3.33Å; L114-V145 HydrophobicContact CB-CG2 3.95Å; L114-V145 HydrophobicContact CD1-CG2 4.01Å; L114-V145 HydrophobicContact CD2-CG2 4.49Å; L114-V145 HydrophobicContact CG-CG2 4.39Å |
| 115 | A | 95.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 158.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V101 I102 F138 K139 A148 | V101-A115 CarbonylContact C-O 3.59Å; V101-A115 WeakPolarHBondContact CA-O 3.04Å; I102-A115 HydrophobicContact CD1-CB 4.4Å; I102-A115 PolarHBondContact N-O 2.95Å; A115-F138 HydrophobicContact CB-CB 3.85Å; A115-F138 HydrophobicContact CB-CD1 4.43Å; A115-K139 CarbonylContact C-O 3.52Å; A115-K139 VanDerWaalsContact CA-O 3.26Å; A115-K139 WeakPolarHBondContact CA-O 3.32Å; A115-K139 WeakPolarHBondContact CB-O 3.32Å; A115-A148 HydrophobicContact CB-CB 4.41Å |
| 116 | T | 96.9 | Very high | 90 | Very high | 32 Ų | 32 | 49.3 Ų | 49.3 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 151.1 | -178.5 | -162.6 | 0 | 0 | 0 | 0 | 114.3 | T99 F100 F138 K139 L141 | T99-T116 WeakPolarHBondContact CG2-OG1 3.44Å; F100-T116 CarbonylContact O-C 3.58Å; F100-T116 WeakPolarHBondContact O-CA 3.45Å; F100-T116 WeakPolarHBondContact O-CB 3.42Å; F100-T116 PolarHBondContact O-OG1 2.8Å; T116-F138 VanDerWaalsContact C-CD1 3.43Å; T116-F138 CarbonylContact O-C 3.54Å; T116-F138 WeakPolarHBondContact O-CA 3.36Å; T116-K139 PolarHBondContact N-O 2.65Å; T116-K139 PolarHBondContact O-N 2.67Å; T116-L141 HydrophobicContact CG2-CD1 3.44Å; T116-L141 VanDerWaalsContact CG2-CD1 3.44Å |
| 117 | S | 96.8 | Very high | 90.2 | Very high | 18 Ų | 18 | 51.8 Ų | 51.8 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 160.1 | 170.6 | -159.4 | 0 | 0 | 0 | 0 | 110.2 | T99 F100 K137 | T99-S117 CarbonylContact C-O 3.56Å; T99-S117 WeakPolarHBondContact CA-O 3.42Å; F100-S117 PolarHBondContact N-O 3.18Å; F100-S117 PolarHBondContact O-N 2.93Å; S117-K137 WeakPolarHBondContact CB-O 3.43Å; S117-K137 PolarHBondContact OG-O 3.39Å |
| 118 | S | 93.6 | Very high | 90.9 | Very high | 64 Ų | 64 | 50.6 Ų | 50.6 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 148.3 | 176.6 | 58.8 | 0 | 0 | 0 | 0 | 111.9 | W98 | W98-S118 VanDerWaalsContact O-CA 3.3Å; W98-S118 WeakPolarHBondContact O-CA 3.28Å |
| 119 | I | 94.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 132.3 | -174.7 | -177.6 | 175.9 | 0 | 0 | 0 | 110 | E97 W98 F100 M121 Y124 V134 L136 F152 L154 | E97-I119 CarbonylContact C-O 3.51Å; E97-I119 WeakPolarHBondContact CA-O 3.48Å; W98-I119 HydrophobicContact CB-CG2 4.44Å; W98-I119 PolarHBondContact N-O 3.33Å; W98-I119 PolarHBondContact O-N 3.18Å; F100-I119 HydrophobicContact CD2-CG2 3.7Å; F100-I119 HydrophobicContact CE2-CG2 3.44Å; F100-I119 VanDerWaalsContact CE2-CG2 3.44Å; I119-M121 HydrophobicContact CD1-CE 4.18Å; I119-M121 HydrophobicContact CG1-CE 4.14Å; I119-M121 HydrophobicContact CG2-CE 3.87Å; I119-Y124 HydrophobicContact CD1-CD2 4.14Å; I119-Y124 HydrophobicContact CD1-CE2 3.63Å; I119-Y124 HydrophobicContact CG1-CD2 4.16Å; I119-Y124 HydrophobicContact CG1-CE2 3.53Å; I119-V134 HydrophobicContact CD1-CG1 3.94Å; I119-L136 HydrophobicContact CB-CD1 4.31Å; I119-L136 HydrophobicContact CB-CD2 4.24Å; I119-L136 HydrophobicContact CG2-CD1 4.33Å; I119-F152 HydrophobicContact CD1-CZ 4.17Å; I119-L154 HydrophobicContact CD1-CD2 3.93Å |
| 120 | N | 94.7 | Very high | 92.5 | Very high | 23 Ų | 23 | 51.5 Ų | 51.5 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 111.5 | -177.6 | -178 | 5.2 | 0 | 0 | 0 | 110.8 | D95 K96 K122 Q123 Y124 | D95-N120 PolarHBondContact OD1-ND2 3.1Å; K96-N120 PolarHBondContact N-OD1 3.21Å; N120-K122 PolarHBondContact O-N 3.5Å; N120-K122 VanDerWaalsContact O-N 3.08Å; N120-K122 WeakPolarHBondContact OD1-CB 3.15Å; N120-K122 PolarHBondContact OD1-N 2.72Å; N120-Q123 HydrophobicContact CB-CG 4.35Å; N120-Q123 WeakPolarHBondContact O-CB 3.4Å; N120-Q123 PolarHBondContact O-N 3.08Å; N120-Q123 VanDerWaalsContact O-N 3.08Å; N120-Y124 WeakPolarHBondContact O-CD2 3.5Å |
| 121 | M | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -60.9 | -21.7 | -177.3 | -60.9 | -77.2 | 97.2 | 0 | 0 | 113.9 | F20 I80 V82 K96 W98 I119 Q123 Y124 A125 L154 | F20-M121 HydrophobicContact CD1-SD 4.18Å; F20-M121 HydrophobicContact CD2-SD 4.08Å; F20-M121 HydrophobicContact CE1-SD 4.29Å; F20-M121 HydrophobicContact CE2-CB 4.17Å; F20-M121 HydrophobicContact CE2-SD 4.19Å; F20-M121 HydrophobicContact CG-SD 4.06Å; F20-M121 HydrophobicContact CZ-CB 4.06Å; F20-M121 HydrophobicContact CZ-SD 4.28Å; I80-M121 HydrophobicContact CD1-SD 4.15Å; V82-M121 HydrophobicContact CG1-CB 3.97Å; V82-M121 HydrophobicContact CG1-CG 4.01Å; V82-M121 HydrophobicContact CG2-SD 4.38Å; K96-M121 HydrophobicContact CB-CB 4.48Å; K96-M121 WeakPolarHBondContact O-CG 3.06Å; K96-M121 PolarHBondContact O-N 3.41Å; W98-M121 HydrophobicContact CG-CG 4.31Å; I119-M121 HydrophobicContact CD1-CE 4.18Å; I119-M121 HydrophobicContact CG1-CE 4.14Å; I119-M121 HydrophobicContact CG2-CE 3.87Å; M121-Q123 PolarHBondContact O-N 3.47Å; M121-Y124 PolarHBondContact O-N 3.49Å; M121-A125 PolarHBondContact O-N 2.8Å; M121-L154 HydrophobicContact CE-CD2 4.05Å |
| 122 | K | 93.6 | Very high | 93.4 | Very high | 50 Ų | 50 | 52.7 Ų | 52.7 | 22% | 0.217 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -53.1 | -42.6 | 173 | 173.2 | -177.1 | -178.5 | 165.1 | 0 | 111.8 | E92 F93 D95 N120 Y124 A125 | E92-K122 VanDerWaalsContact OE2-CE 3.25Å; E92-K122 WeakPolarHBondContact OE2-CE 3.47Å; E92-K122 IonicContact OE2-NZ 3.14Å; E92-K122 PolarHBondContact OE2-NZ 2.94Å; F93-K122 HydrophobicContact CB-CG 4.26Å; F93-K122 VanDerWaalsContact O-CD 3.23Å; F93-K122 WeakPolarHBondContact O-CD 3.4Å; F93-K122 WeakPolarHBondContact O-CE 3.14Å; F93-K122 PolarHBondContact O-NZ 3.37Å; D95-K122 WeakPolarHBondContact OD1-CD 3.36Å; D95-K122 IonicContact OD1-NZ 2.81Å; N120-K122 PolarHBondContact O-N 3.5Å; N120-K122 VanDerWaalsContact O-N 3.08Å; N120-K122 WeakPolarHBondContact OD1-CB 3.15Å; N120-K122 PolarHBondContact OD1-N 2.72Å; K122-Y124 PolarHBondContact O-N 2.87Å; K122-A125 PolarHBondContact O-N 3.42Å |
| 123 | Q | 93.8 | Very high | 93.6 | Very high | 135 Ų | 135 | 54.8 Ų | 54.8 | 63% | 0.631 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -69.4 | -14.9 | -173.2 | -65.1 | 171.9 | -33.2 | 0 | 0 | 113.5 | N120 M121 | N120-Q123 HydrophobicContact CB-CG 4.35Å; N120-Q123 WeakPolarHBondContact O-CB 3.4Å; N120-Q123 PolarHBondContact O-N 3.08Å; N120-Q123 VanDerWaalsContact O-N 3.08Å; M121-Q123 PolarHBondContact O-N 3.47Å |
| 124 | Y | 94.5 | Very high | 93.7 | Very high | 53 Ų | 53 | 53 Ų | 53 | 21% | 0.208 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -120.3 | 6.4 | -176.5 | -53.5 | -89.3 | 0 | 0 | 0 | 111.6 | F20 I119 N120 M121 K122 T132 V134 L154 C156 | F20-Y124 WeakPolarHBondContact CE1-O 3.44Å; I119-Y124 HydrophobicContact CD1-CD2 4.14Å; I119-Y124 HydrophobicContact CD1-CE2 3.63Å; I119-Y124 HydrophobicContact CG1-CD2 4.16Å; I119-Y124 HydrophobicContact CG1-CE2 3.53Å; N120-Y124 WeakPolarHBondContact O-CD2 3.5Å; M121-Y124 PolarHBondContact O-N 3.49Å; K122-Y124 PolarHBondContact O-N 2.87Å; Y124-T132 HydrophobicContact CD1-CG2 4.19Å; Y124-T132 HydrophobicContact CE1-CG2 4.09Å; Y124-V134 HydrophobicContact CD1-CG2 4.24Å; Y124-V134 HydrophobicContact CE1-CG2 3.64Å; Y124-L154 HydrophobicContact CD1-CD2 4.06Å; Y124-L154 HydrophobicContact CD2-CD2 4.09Å; Y124-L154 HydrophobicContact CG-CD2 3.73Å; Y124-C156 WeakPolarHBondContact O-CB 3.43Å; Y124-C156 PolarHBondContact O-SG 3.31Å; Y124-C156 VanDerWaalsContact O-SG 3.35Å |
| 125 | A | 93.3 | Very high | 93.8 | Very high | 21 Ų | 21 | 58.7 Ų | 58.7 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | trans | -87.4 | 123.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111 | F18 F20 L84 F93 M121 K122 | F18-A125 HydrophobicContact CD1-CB 4.47Å; F18-A125 HydrophobicContact CD2-CB 4.46Å; F18-A125 HydrophobicContact CE1-CB 4.22Å; F18-A125 HydrophobicContact CE2-CB 4.21Å; F18-A125 HydrophobicContact CZ-CB 4.08Å; F20-A125 HydrophobicContact CZ-CB 4.16Å; L84-A125 HydrophobicContact CD1-CB 3.3Å; F93-A125 HydrophobicContact CD2-CB 4.37Å; F93-A125 HydrophobicContact CE2-CB 4.44Å; M121-A125 PolarHBondContact O-N 2.8Å; K122-A125 PolarHBondContact O-N 3.42Å | ||
| 126 | S | 90.9 | Very high | 93.8 | Very high | 23 Ų | 23 | 59.5 Ų | 59.5 | 16% | 0.161 | 32% | 0.322 | C | S | . | . | trans | -136.6 | 138.9 | -179.5 | 169 | 0 | 0 | 0 | 0 | 110.4 | F18 M128 T130 | F18-S126 WeakPolarHBondContact CE1-O 3.34Å; S126-M128 VanDerWaalsContact C-N 3.25Å; S126-M128 CarbonylContact C-O 3.59Å; S126-M128 WeakPolarHBondContact CB-O 3.37Å; S126-M128 PolarHBondContact O-N 2.99Å; S126-M128 PolarHBondContact OG-N 3.32Å; S126-M128 PolarHBondContact OG-O 3.18Å; S126-T130 WeakPolarHBondContact OG-CG2 3.42Å | ||
| 127 | P | 85.8 | Confident | 93.8 | Very high | 85 Ų | 85 | 65.8 Ų | 65.8 | 55% | 0.552 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -69 | -23.9 | 174 | 27.1 | -31.1 | 0 | 0 | 0 | 112.7 | F158 | P127-F158 WeakPolarHBondContact O-CB 3.48Š|
| 128 | M | 90.6 | Very high | 93.8 | Very high | 131 Ų | 131 | 65.6 Ų | 65.6 | 65% | 0.645 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -90.9 | 145.8 | 165.5 | -64.2 | 79.6 | -170.9 | 0 | 0 | 109.6 | S126 T130 | S126-M128 VanDerWaalsContact C-N 3.25Å; S126-M128 CarbonylContact C-O 3.59Å; S126-M128 WeakPolarHBondContact CB-O 3.37Å; S126-M128 PolarHBondContact O-N 2.99Å; S126-M128 PolarHBondContact OG-N 3.32Å; S126-M128 PolarHBondContact OG-O 3.18Å; M128-T130 PolarHBondContact O-N 3.04Å |
| 129 | P | 90.8 | Very high | 93.9 | Very high | 100 Ų | 100 | 70 Ų | 70 | 65% | 0.649 | 35% | 0.354 | S | S | * | . | trans | -55.1 | 131.4 | 172.2 | -25.1 | 35 | 0 | 0 | 0 | 111.8 | C156 | P129-C156 WeakPolarHBondContact CA-O 3.22Š| ||
| 130 | T | 93.8 | Very high | 93.9 | Very high | 50 Ų | 50 | 72.6 Ų | 72.6 | 31% | 0.307 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 157.3 | 178.6 | 51.5 | 0 | 0 | 0 | 0 | 111.4 | S126 M128 S155 C156 | S126-T130 WeakPolarHBondContact OG-CG2 3.42Å; M128-T130 PolarHBondContact O-N 3.04Å; T130-S155 CarbonylContact O-C 3.53Å; T130-S155 WeakPolarHBondContact O-CA 3.42Å; T130-S155 WeakPolarHBondContact O-CB 3.34Å; T130-C156 PolarHBondContact N-O 3.19Å; T130-C156 PolarHBondContact O-N 2.92Å |
| 131 | Q | 95.1 | Very high | 93.7 | Very high | 131 Ų | 131 | 76.4 Ų | 76.4 | 61% | 0.612 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 142.7 | 166.7 | -171 | 170.7 | 0.3 | 0 | 0 | 108.3 | S153 L154 | Q131-S153 PolarHBondContact NE2-OG 3.25Å; Q131-L154 WeakPolarHBondContact CA-O 3.43Å |
| 132 | T | 94.4 | Very high | 93.5 | Very high | 60 Ų | 60 | 77.7 Ų | 77.7 | 37% | 0.368 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 129.7 | -176.7 | -56.9 | 0 | 0 | 0 | 0 | 109.6 | Y124 V134 S153 L154 | Y124-T132 HydrophobicContact CD1-CG2 4.19Å; Y124-T132 HydrophobicContact CE1-CG2 4.09Å; T132-V134 PolarHBondContact O-N 3.11Å; T132-S153 WeakPolarHBondContact O-CA 3.36Å; T132-L154 PolarHBondContact N-O 3.5Å; T132-L154 PolarHBondContact O-N 3.49Å |
| 133 | D | 95.3 | Very high | 93.3 | Very high | 119 Ų | 119 | 82.9 Ų | 82.9 | 64% | 0.636 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 122.6 | 176.1 | -66.8 | -25.4 | 0 | 0 | 0 | 110.6 | S153 | D133-S153 WeakPolarHBondContact OD1-CB 3.21Å |
| 134 | V | 95.8 | Very high | 93.2 | Very high | 7 Ų | 7 | 79.2 Ų | 79.2 | 4% | 0.042 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124 | -174.1 | -170.8 | 0 | 0 | 0 | 0 | 109.9 | I119 Y124 T132 L136 Q151 F152 L154 | I119-V134 HydrophobicContact CD1-CG1 3.94Å; Y124-V134 HydrophobicContact CD1-CG2 4.24Å; Y124-V134 HydrophobicContact CE1-CG2 3.64Å; T132-V134 PolarHBondContact O-N 3.11Å; V134-L136 HydrophobicContact CG1-CD2 4.22Å; V134-L136 HydrophobicContact CG1-CG 4.01Å; V134-Q151 WeakPolarHBondContact O-CA 3.38Å; V134-F152 HydrophobicContact CB-CD1 4.19Å; V134-F152 HydrophobicContact CB-CE1 3.74Å; V134-F152 HydrophobicContact CB-CE2 4.36Å; V134-F152 HydrophobicContact CB-CZ 3.84Å; V134-F152 HydrophobicContact CG1-CE1 3.82Å; V134-F152 HydrophobicContact CG1-CZ 3.95Å; V134-F152 HydrophobicContact CG2-CZ 4.36Å; V134-F152 PolarHBondContact N-O 3.16Å; V134-F152 WeakPolarHBondContact O-CD1 3.32Å; V134-F152 PolarHBondContact O-N 2.99Å; V134-F152 VanDerWaalsContact O-N 3.1Å; V134-L154 HydrophobicContact CG2-CB 3.82Å; V134-L154 HydrophobicContact CG2-CD2 4.48Å |
| 135 | K | 96.2 | Very high | 93.1 | Very high | 123 Ų | 123 | 77.1 Ų | 77.1 | 54% | 0.535 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 88.2 | 176 | -158.5 | 174.7 | -169.5 | 103.2 | 0 | 110.9 | T149 L150 Q151 | K135-T149 HydrophobicContact CD-CG2 4.31Å; K135-T149 HydrophobicContact CG-CG2 3.71Å; K135-L150 CarbonylContact C-O 3.58Å; K135-L150 WeakPolarHBondContact CA-O 3.49Å; K135-Q151 HydrophobicContact CG-CB 4.44Å |
| 136 | L | 95.9 | Very high | 93.1 | Very high | 17 Ų | 17 | 80 Ų | 80 | 9% | 0.089 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 122.5 | 179 | -73.5 | -180 | 0 | 0 | 0 | 111.2 | F100 I119 V134 F138 T149 L150 F152 | F100-L136 HydrophobicContact CB-CD1 4.35Å; F100-L136 HydrophobicContact CD1-CD1 4.29Å; F100-L136 HydrophobicContact CD2-CD1 3.96Å; F100-L136 HydrophobicContact CE2-CD1 4.34Å; F100-L136 HydrophobicContact CG-CD1 3.95Å; I119-L136 HydrophobicContact CB-CD1 4.31Å; I119-L136 HydrophobicContact CB-CD2 4.24Å; I119-L136 HydrophobicContact CG2-CD1 4.33Å; V134-L136 HydrophobicContact CG1-CD2 4.22Å; V134-L136 HydrophobicContact CG1-CG 4.01Å; L136-F138 HydrophobicContact CB-CD2 4.35Å; L136-F138 HydrophobicContact CB-CE2 3.71Å; L136-F138 HydrophobicContact CB-CZ 4.45Å; L136-F138 WeakPolarHBondContact O-CD2 3.44Å; L136-F138 WeakPolarHBondContact O-CE2 3.4Å; L136-T149 CarbonylContact O-C 3.55Å; L136-T149 WeakPolarHBondContact O-CA 3.25Å; L136-L150 PolarHBondContact N-O 3.13Å; L136-L150 PolarHBondContact O-N 2.93Å; L136-F152 HydrophobicContact CB-CE1 4.5Å; L136-F152 HydrophobicContact CD1-CE1 3.68Å; L136-F152 HydrophobicContact CD1-CZ 4.05Å; L136-F152 HydrophobicContact CG-CE1 3.87Å; L136-F152 HydrophobicContact CG-CZ 4.5Å |
| 137 | K | 96.2 | Very high | 93.3 | Very high | 165 Ų | 165 | 81.1 Ų | 81.1 | 72% | 0.717 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 136.6 | 165.2 | -64.4 | -179.6 | -179.6 | 178.5 | 0 | 109.4 | S117 T149 | S117-K137 WeakPolarHBondContact CB-O 3.43Å; S117-K137 PolarHBondContact OG-O 3.39Å; K137-T149 HydrophobicContact CG-CG2 4.47Å |
| 138 | F | 96.9 | Very high | 93.8 | Very high | 13 Ų | 13 | 77.2 Ų | 77.2 | 6% | 0.057 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 141.6 | -176.3 | -71.8 | -118.8 | 0 | 0 | 0 | 110.9 | F100 I102 A115 T116 L136 A148 L150 | F100-F138 HydrophobicContact CB-CE1 3.69Å; F100-F138 HydrophobicContact CB-CZ 3.65Å; I102-F138 HydrophobicContact CD1-CB 4.24Å; I102-F138 HydrophobicContact CD1-CD1 3.47Å; I102-F138 VanDerWaalsContact CD1-CD1 3.47Å; I102-F138 HydrophobicContact CD1-CD2 4Å; I102-F138 HydrophobicContact CD1-CE1 3.74Å; I102-F138 HydrophobicContact CD1-CE2 4.26Å; I102-F138 HydrophobicContact CD1-CG 3.64Å; I102-F138 HydrophobicContact CD1-CZ 4.14Å; I102-F138 HydrophobicContact CG1-CD1 3.83Å; I102-F138 HydrophobicContact CG1-CE1 3.68Å; I102-F138 HydrophobicContact CG1-CG 4.48Å; I102-F138 HydrophobicContact CG1-CZ 4.21Å; A115-F138 HydrophobicContact CB-CB 3.85Å; A115-F138 HydrophobicContact CB-CD1 4.43Å; T116-F138 VanDerWaalsContact C-CD1 3.43Å; T116-F138 CarbonylContact O-C 3.54Å; T116-F138 WeakPolarHBondContact O-CA 3.36Å; L136-F138 HydrophobicContact CB-CD2 4.35Å; L136-F138 HydrophobicContact CB-CE2 3.71Å; L136-F138 HydrophobicContact CB-CZ 4.45Å; L136-F138 WeakPolarHBondContact O-CD2 3.44Å; L136-F138 WeakPolarHBondContact O-CE2 3.4Å; F138-A148 HydrophobicContact CB-CB 4.1Å; F138-A148 PolarHBondContact N-O 3.31Å; F138-L150 HydrophobicContact CE2-CB 3.54Å; F138-L150 HydrophobicContact CE2-CD2 4.49Å; F138-L150 HydrophobicContact CZ-CB 4.06Å; F138-L150 HydrophobicContact CZ-CD2 4.24Å |
| 139 | K | 95.1 | Very high | 94.1 | Very high | 157 Ų | 157 | 72.5 Ų | 72.5 | 68% | 0.683 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 123.5 | 168 | -60.8 | 175.4 | -177.7 | 175.4 | 0 | 107.9 | A115 T116 | A115-K139 CarbonylContact C-O 3.52Å; A115-K139 VanDerWaalsContact CA-O 3.26Å; A115-K139 WeakPolarHBondContact CA-O 3.32Å; A115-K139 WeakPolarHBondContact CB-O 3.32Å; T116-K139 PolarHBondContact N-O 2.65Å; T116-K139 PolarHBondContact O-N 2.67Å |
| 140 | P | 94.5 | Very high | 94.3 | Very high | 61 Ų | 61 | 67.8 Ų | 67.8 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 140.8 | 173.6 | -24.8 | 34.8 | 0 | 0 | 0 | 112 | V145 V146 | P140-V145 WeakPolarHBondContact CB-O 3.45Å; P140-V146 WeakPolarHBondContact CG-O 3.3Å |
| 141 | L | 90.9 | Very high | 94.4 | Very high | 104 Ų | 104 | 68.4 Ų | 68.4 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | trans | -103.9 | -44.4 | 167.1 | -93.8 | 67.7 | 0 | 0 | 0 | 109.9 | A113 L114 T116 | A113-L141 HydrophobicContact CB-CD2 4.22Å; L114-L141 PolarHBondContact O-N 2.86Å; T116-L141 HydrophobicContact CG2-CD1 3.44Å; T116-L141 VanDerWaalsContact CG2-CD1 3.44Å | ||
| 142 | S | 90.8 | Very high | 94.4 | Very high | 27 Ų | 27 | 62.1 Ų | 62.1 | 19% | 0.189 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -88.7 | 140 | 178.5 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | L114 K144 V145 | L114-S142 PolarHBondContact O-N 3.33Å; S142-K144 PolarHBondContact O-N 3.46Å; S142-K144 WeakPolarHBondContact OG-CB 3.42Å; S142-K144 PolarHBondContact OG-N 2.7Å; S142-V145 PolarHBondContact O-N 2.85Å |
| 143 | K | 89.8 | Confident | 94.4 | Very high | 158 Ų | 158 | 59.4 Ų | 59.4 | 69% | 0.687 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -17.6 | 168.8 | -52.7 | 168.7 | -160.1 | 145.9 | 0 | 112.8 | T32 E195 | T32-K143 WeakPolarHBondContact CG2-O 3.3Å; K143-E195 IonicContact NZ-OE2 3.79Å; K143-E195 PolarHBondContact NZ-OE2 3.37Å |
| 144 | K | 90.8 | Very high | 94.5 | Very high | 59 Ų | 59 | 53.9 Ų | 53.9 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -14.9 | -176.1 | -67.3 | 167 | 172 | 153 | 0 | 113.4 | C31 T32 W35 S142 E195 | C31-K144 WeakPolarHBondContact CA-O 3.48Å; T32-K144 PolarHBondContact N-O 3.31Å; W35-K144 HydrophobicContact CB-CB 4.47Å; W35-K144 HydrophobicContact CB-CG 4.39Å; W35-K144 HydrophobicContact CD2-CB 3.79Å; W35-K144 HydrophobicContact CD2-CD 4.2Å; W35-K144 HydrophobicContact CD2-CG 4.23Å; W35-K144 HydrophobicContact CE3-CB 3.6Å; W35-K144 HydrophobicContact CG-CB 4.18Å; W35-K144 HydrophobicContact CG-CD 4.15Å; W35-K144 HydrophobicContact CG-CG 4.17Å; W35-K144 HydrophobicContact CZ3-CB 4.09Å; S142-K144 PolarHBondContact O-N 3.46Å; S142-K144 WeakPolarHBondContact OG-CB 3.42Å; S142-K144 PolarHBondContact OG-N 2.7Å; K144-E195 WeakPolarHBondContact CE-OE1 3.46Å; K144-E195 IonicContact NZ-OE1 2.77Å; K144-E195 PolarHBondContact NZ-OE1 2.85Å |
| 145 | V | 93.2 | Very high | 94.5 | Very high | 8 Ų | 8 | 54.8 Ų | 54.8 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 134.2 | 175.7 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | V29 W35 L114 P140 S142 A148 | V29-V145 HydrophobicContact CG1-CG1 4Å; V29-V145 HydrophobicContact CG1-CG2 3.9Å; W35-V145 HydrophobicContact CZ3-CG2 4.13Å; L114-V145 HydrophobicContact CB-CG2 3.95Å; L114-V145 HydrophobicContact CD1-CG2 4.01Å; L114-V145 HydrophobicContact CD2-CG2 4.49Å; L114-V145 HydrophobicContact CG-CG2 4.39Å; P140-V145 WeakPolarHBondContact CB-O 3.45Å; S142-V145 PolarHBondContact O-N 2.85Å; V145-A148 HydrophobicContact CG1-CB 4.36Å |
| 146 | V | 93.3 | Very high | 94.5 | Very high | 82 Ų | 82 | 49 Ų | 49 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -47.7 | 177.8 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | E30 T32 P140 | E30-V146 HydrophobicContact CB-CB 4.5Å; E30-V146 HydrophobicContact CG-CB 4.16Å; E30-V146 PolarHBondContact O-N 3.02Å; T32-V146 HydrophobicContact CG2-CG2 4.09Å; P140-V146 WeakPolarHBondContact CG-O 3.3Å |
| 147 | S | 93.8 | Very high | 94.4 | Very high | 47 Ų | 47 | 51.5 Ų | 51.5 | 33% | 0.329 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 150.4 | 178.2 | 78 | 0 | 0 | 0 | 0 | 111 | E30 | E30-S147 WeakPolarHBondContact CB-OG 3.17Å; E30-S147 PolarHBondContact N-O 2.85Å; E30-S147 PolarHBondContact O-N 3.5Å; E30-S147 PolarHBondContact OE2-OG 3.07Å |
| 148 | A | 96.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 144.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M28 V29 I102 A115 F138 V145 | M28-A148 CarbonylContact O-C 3.42Å; M28-A148 VanDerWaalsContact O-CA 3.28Å; M28-A148 WeakPolarHBondContact O-CA 3.45Å; V29-A148 HydrophobicContact CG1-CB 4.36Å; V29-A148 HydrophobicContact CG2-CB 4.04Å; I102-A148 HydrophobicContact CD1-CB 3.59Å; A115-A148 HydrophobicContact CB-CB 4.41Å; F138-A148 HydrophobicContact CB-CB 4.1Å; F138-A148 PolarHBondContact N-O 3.31Å; V145-A148 HydrophobicContact CG1-CB 4.36Å |
| 149 | T | 96.9 | Very high | 94 | Very high | 32 Ų | 32 | 50.3 Ų | 50.3 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 127.4 | 179.5 | -62.1 | 0 | 0 | 0 | 0 | 110.1 | M28 K135 L136 K137 | M28-T149 PolarHBondContact N-O 3.11Å; M28-T149 PolarHBondContact O-N 3.27Å; K135-T149 HydrophobicContact CD-CG2 4.31Å; K135-T149 HydrophobicContact CG-CG2 3.71Å; L136-T149 CarbonylContact O-C 3.55Å; L136-T149 WeakPolarHBondContact O-CA 3.25Å; K137-T149 HydrophobicContact CG-CG2 4.47Å |
| 150 | L | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 135.8 | 174.1 | -176.4 | 69.3 | 0 | 0 | 0 | 109.5 | Y24 E26 L27 V42 W72 F100 K135 L136 F138 F152 | Y24-L150 HydrophobicContact CD1-CD1 4.16Å; Y24-L150 HydrophobicContact CD1-CD2 4.01Å; Y24-L150 HydrophobicContact CD1-CG 4.48Å; Y24-L150 HydrophobicContact CE1-CD2 3.96Å; E26-L150 CarbonylContact O-C 3.53Å; L27-L150 HydrophobicContact CB-CD1 3.79Å; L27-L150 HydrophobicContact CD1-CB 4.35Å; L27-L150 HydrophobicContact CD1-CD1 4.29Å; V42-L150 HydrophobicContact CG1-CD2 3.82Å; V42-L150 HydrophobicContact CG2-CD1 4.04Å; W72-L150 HydrophobicContact CH2-CD1 4.42Å; W72-L150 HydrophobicContact CZ3-CD1 4.27Å; F100-L150 HydrophobicContact CD1-CD2 3.92Å; F100-L150 HydrophobicContact CE1-CD2 4.17Å; K135-L150 CarbonylContact C-O 3.58Å; K135-L150 WeakPolarHBondContact CA-O 3.49Å; L136-L150 PolarHBondContact N-O 3.13Å; L136-L150 PolarHBondContact O-N 2.93Å; F138-L150 HydrophobicContact CE2-CB 3.54Å; F138-L150 HydrophobicContact CE2-CD2 4.49Å; F138-L150 HydrophobicContact CZ-CB 4.06Å; F138-L150 HydrophobicContact CZ-CD2 4.24Å; L150-F152 HydrophobicContact CD2-CD1 3.69Å; L150-F152 HydrophobicContact CD2-CE1 4.15Å; L150-F152 HydrophobicContact CD2-CG 4.3Å; L150-F152 HydrophobicContact CG-CB 4.45Å; L150-F152 HydrophobicContact CG-CD1 3.89Å |
| 151 | Q | 95.1 | Very high | 93.5 | Very high | 63 Ų | 63 | 48 Ų | 48 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.7 | 165 | -175.4 | 164.8 | -40.4 | 0 | 0 | 109 | Q25 E26 V134 K135 | Q25-Q151 PolarHBondContact N-O 2.98Å; Q25-Q151 VanDerWaalsContact N-O 3.12Å; E26-Q151 HydrophobicContact CB-CB 4.4Å; E26-Q151 PolarHBondContact N-O 3.45Å; E26-Q151 VanDerWaalsContact N-O 3.13Å; E26-Q151 PolarHBondContact O-N 3.15Å; V134-Q151 WeakPolarHBondContact O-CA 3.38Å; K135-Q151 HydrophobicContact CG-CB 4.44Å |
| 152 | F | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 147.8 | -178.3 | 72.6 | -77.7 | 0 | 0 | 0 | 109.1 | A22 S23 Y24 Q25 F100 I119 V134 L136 L150 L154 | A22-F152 HydrophobicContact CB-CD2 3.74Å; A22-F152 HydrophobicContact CB-CE2 3.91Å; S23-F152 CarbonylContact O-C 3.49Å; S23-F152 VanDerWaalsContact O-CA 3.23Å; S23-F152 WeakPolarHBondContact O-CA 3.15Å; S23-F152 VanDerWaalsContact O-CB 3.27Å; S23-F152 WeakPolarHBondContact O-CB 3.21Å; Y24-F152 HydrophobicContact CD1-CB 3.76Å; Y24-F152 HydrophobicContact CD1-CG 4.32Å; Y24-F152 HydrophobicContact CE1-CB 4.42Å; Q25-F152 VanDerWaalsContact OE1-C 3.29Å; F100-F152 HydrophobicContact CE1-CE1 4.16Å; F100-F152 HydrophobicContact CE1-CE2 4.12Å; F100-F152 AromaticContact CE1-CZ 3.83Å; F100-F152 HydrophobicContact CE1-CZ 3.83Å; F100-F152 HydrophobicContact CE2-CZ 4.38Å; F100-F152 HydrophobicContact CZ-CE1 4.36Å; F100-F152 AromaticContact CZ-CE2 3.87Å; F100-F152 HydrophobicContact CZ-CE2 3.87Å; F100-F152 AromaticContact CZ-CZ 3.62Å; F100-F152 HydrophobicContact CZ-CZ 3.62Å; I119-F152 HydrophobicContact CD1-CZ 4.17Å; V134-F152 HydrophobicContact CB-CD1 4.19Å; V134-F152 HydrophobicContact CB-CE1 3.74Å; V134-F152 HydrophobicContact CB-CE2 4.36Å; V134-F152 HydrophobicContact CB-CZ 3.84Å; V134-F152 HydrophobicContact CG1-CE1 3.82Å; V134-F152 HydrophobicContact CG1-CZ 3.95Å; V134-F152 HydrophobicContact CG2-CZ 4.36Å; V134-F152 PolarHBondContact N-O 3.16Å; V134-F152 WeakPolarHBondContact O-CD1 3.32Å; V134-F152 PolarHBondContact O-N 2.99Å; V134-F152 VanDerWaalsContact O-N 3.1Å; L136-F152 HydrophobicContact CB-CE1 4.5Å; L136-F152 HydrophobicContact CD1-CE1 3.68Å; L136-F152 HydrophobicContact CD1-CZ 4.05Å; L136-F152 HydrophobicContact CG-CE1 3.87Å; L136-F152 HydrophobicContact CG-CZ 4.5Å; L150-F152 HydrophobicContact CD2-CD1 3.69Å; L150-F152 HydrophobicContact CD2-CE1 4.15Å; L150-F152 HydrophobicContact CD2-CG 4.3Å; L150-F152 HydrophobicContact CG-CB 4.45Å; L150-F152 HydrophobicContact CG-CD1 3.89Å; F152-L154 HydrophobicContact CD2-CB 4.37Å; F152-L154 HydrophobicContact CE2-CB 3.89Å; F152-L154 HydrophobicContact CE2-CD1 4.33Å; F152-L154 HydrophobicContact CE2-CG 4.49Å |
| 153 | S | 95.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 127.9 | 169.9 | 71 | 0 | 0 | 0 | 0 | 109.2 | S23 Q25 Q131 T132 D133 | S23-S153 WeakPolarHBondContact CB-OG 3.36Å; S23-S153 PolarHBondContact N-O 2.94Å; S23-S153 PolarHBondContact O-N 3.07Å; Q25-S153 PolarHBondContact NE2-OG 3Å; Q131-S153 PolarHBondContact NE2-OG 3.25Å; T132-S153 WeakPolarHBondContact O-CA 3.36Å; D133-S153 WeakPolarHBondContact OD1-CB 3.21Å |
| 154 | L | 96.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 113.3 | 175.3 | -177.9 | 57.3 | 0 | 0 | 0 | 108.6 | F20 V21 W44 I119 M121 Y124 Q131 T132 V134 F152 | F20-L154 HydrophobicContact CB-CD1 4.05Å; F20-L154 HydrophobicContact CD1-CD1 3.89Å; F20-L154 HydrophobicContact CD1-CD2 4.26Å; F20-L154 HydrophobicContact CD1-CG 4.04Å; F20-L154 HydrophobicContact CG-CD1 4.44Å; V21-L154 WeakPolarHBondContact O-CA 3.4Å; W44-L154 HydrophobicContact CH2-CD1 4.43Å; W44-L154 HydrophobicContact CZ3-CD1 4.1Å; I119-L154 HydrophobicContact CD1-CD2 3.93Å; M121-L154 HydrophobicContact CE-CD2 4.05Å; Y124-L154 HydrophobicContact CD1-CD2 4.06Å; Y124-L154 HydrophobicContact CD2-CD2 4.09Å; Y124-L154 HydrophobicContact CG-CD2 3.73Å; Q131-L154 WeakPolarHBondContact CA-O 3.43Å; T132-L154 PolarHBondContact N-O 3.5Å; T132-L154 PolarHBondContact O-N 3.49Å; V134-L154 HydrophobicContact CG2-CB 3.82Å; V134-L154 HydrophobicContact CG2-CD2 4.48Å; F152-L154 HydrophobicContact CD2-CB 4.37Å; F152-L154 HydrophobicContact CE2-CB 3.89Å; F152-L154 HydrophobicContact CE2-CD1 4.33Å; F152-L154 HydrophobicContact CE2-CG 4.49Å |
| 155 | S | 96.1 | Very high | 92.1 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 153.8 | 168.2 | 74.2 | 0 | 0 | 0 | 0 | 111.5 | F20 V21 T130 | F20-S155 VanDerWaalsContact CA-O 3.26Å; F20-S155 WeakPolarHBondContact CA-O 3.34Å; V21-S155 WeakPolarHBondContact CB-OG 3.38Å; V21-S155 PolarHBondContact N-O 2.86Å; V21-S155 PolarHBondContact O-N 2.81Å; T130-S155 CarbonylContact O-C 3.53Å; T130-S155 WeakPolarHBondContact O-CA 3.42Å; T130-S155 WeakPolarHBondContact O-CB 3.34Å |
| 156 | C | 95.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 132.9 | 178.1 | -172.3 | 0 | 0 | 0 | 0 | 109.8 | Q19 F20 Y124 P129 T130 | Q19-C156 WeakPolarHBondContact O-CA 3.45Å; F20-C156 HydrophobicContact CD1-CB 3.83Å; F20-C156 HydrophobicContact CE1-CB 3.65Å; F20-C156 WeakPolarHBondContact CE1-SG 3.21Å; F20-C156 HydrophobicContact CZ-CB 4.32Å; F20-C156 WeakPolarHBondContact CZ-SG 3.46Å; Y124-C156 WeakPolarHBondContact O-CB 3.43Å; Y124-C156 PolarHBondContact O-SG 3.31Å; Y124-C156 VanDerWaalsContact O-SG 3.35Å; P129-C156 WeakPolarHBondContact CA-O 3.22Å; T130-C156 PolarHBondContact N-O 3.19Å; T130-C156 PolarHBondContact O-N 2.92Å |
| 157 | I | 94.4 | Very high | 89.5 | Confident | 69 Ų | 69 | 48.1 Ų | 48.1 | 35% | 0.354 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 125.3 | 175.1 | -56.8 | 176.2 | 0 | 0 | 0 | 108 | F18 Q19 L159 | F18-I157 CarbonylContact C-O 3.58Å; F18-I157 VanDerWaalsContact CA-O 3.31Å; F18-I157 WeakPolarHBondContact CA-O 3.47Å; Q19-I157 HydrophobicContact CB-CB 4.39Å; Q19-I157 PolarHBondContact N-O 3.37Å; Q19-I157 PolarHBondContact O-N 3.4Å; I157-L159 HydrophobicContact CG2-CD2 4.31Å |
| 158 | F | 93.8 | Very high | 88.5 | Confident | 68 Ų | 68 | 46.3 Ų | 46.3 | 30% | 0.298 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 127.9 | 171.6 | 173.2 | -105.4 | 0 | 0 | 0 | 110.7 | F18 P127 R160 E161 | F18-F158 HydrophobicContact CD1-CB 4.04Å; F18-F158 HydrophobicContact CD1-CD2 4.16Å; F18-F158 HydrophobicContact CE1-CB 3.95Å; F18-F158 AromaticContact CE1-CD2 3.64Å; F18-F158 HydrophobicContact CE1-CD2 3.64Å; F18-F158 HydrophobicContact CE1-CG 4.27Å; F18-F158 AromaticContact CZ-CD2 3.94Å; F18-F158 HydrophobicContact CZ-CD2 3.94Å; P127-F158 WeakPolarHBondContact O-CB 3.48Å; F158-R160 VanDerWaalsContact CE2-C 3.49Å; F158-R160 WeakPolarHBondContact CE2-O 3.23Å; F158-R160 VanDerWaalsContact CZ-C 3.42Å; F158-E161 HydrophobicContact CE2-CB 3.81Å; F158-E161 HydrophobicContact CZ-CB 3.61Å |
| 159 | L | 91.4 | Very high | 87.1 | Confident | 85 Ų | 85 | 47.7 Ų | 47.7 | 45% | 0.445 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -46.6 | -178.1 | -54.9 | 177.5 | 0 | 0 | 0 | 112.8 | K17 Q19 T81 I157 | K17-L159 HydrophobicContact CG-CD1 4.41Å; K17-L159 WeakPolarHBondContact O-CA 3.43Å; K17-L159 VanDerWaalsContact O-CB 3.27Å; K17-L159 WeakPolarHBondContact O-CB 3.12Å; K17-L159 PolarHBondContact O-N 3.45Å; Q19-L159 HydrophobicContact CB-CD1 4.14Å; Q19-L159 HydrophobicContact CB-CD2 4.15Å; Q19-L159 HydrophobicContact CB-CG 4.25Å; T81-L159 HydrophobicContact CG2-CD1 4.02Å; I157-L159 HydrophobicContact CG2-CD2 4.31Å |
| 160 | R | 89.4 | Confident | 85.4 | Confident | 87 Ų | 87 | 50.1 Ų | 50.1 | 33% | 0.328 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 157 | 178.4 | 65.3 | 174.8 | -162.1 | -151.6 | 3.3 | 112 | S16 K17 F158 E167 D168 | S16-R160 CarbonylContact C-O 3.55Å; S16-R160 WeakPolarHBondContact CA-O 3.46Å; K17-R160 HydrophobicContact CB-CG 3.8Å; K17-R160 HydrophobicContact CD-CG 4.28Å; K17-R160 PolarHBondContact N-O 3.11Å; K17-R160 PolarHBondContact O-N 3Å; F158-R160 VanDerWaalsContact CE2-C 3.49Å; F158-R160 WeakPolarHBondContact CE2-O 3.23Å; F158-R160 VanDerWaalsContact CZ-C 3.42Å; R160-E167 IonicContact CZ-OE1 3.11Å; R160-E167 IonicContact CZ-OE2 2.87Å; R160-E167 IonicContact NH1-OE1 2.81Å; R160-E167 IonicContact NH1-OE2 2.71Å; R160-E167 PolarHBondContact NH1-OE2 2.88Å; R160-E167 IonicContact NH2-OE1 2.72Å; R160-E167 PolarHBondContact NH2-OE1 2.91Å; R160-E167 VanDerWaalsContact NH2-OE1 3.16Å; R160-E167 IonicContact NH2-OE2 3.83Å; R160-E167 PolarHBondContact NH2-OE2 3.39Å; R160-D168 IonicContact CZ-OD1 2.77Å; R160-D168 IonicContact NE-OD1 2.73Å; R160-D168 IonicContact NH2-OD1 3.94Å; R160-D168 PolarHBondContact NH2-OD1 2.89Å; R160-D168 IonicContact NH2-OD2 2.74Å |
| 161 | E | 89.8 | Confident | 83.2 | Confident | 84 Ų | 84 | 52.3 Ų | 52.3 | 39% | 0.393 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 147.6 | 164.7 | -179.7 | 163.7 | 128.8 | 0 | 0 | 109.9 | A15 S16 K86 F158 | A15-E161 WeakPolarHBondContact O-CA 3.48Å; S16-E161 WeakPolarHBondContact OG-CG 3.46Å; S16-E161 PolarHBondContact OG-OE2 3.45Å; K86-E161 WeakPolarHBondContact CE-OE1 3.17Å; K86-E161 WeakPolarHBondContact CE-OE2 3.34Å; K86-E161 IonicContact NZ-OE1 2.71Å; K86-E161 PolarHBondContact NZ-OE1 3.47Å; K86-E161 IonicContact NZ-OE2 3.74Å; K86-E161 PolarHBondContact NZ-OE2 2.98Å; F158-E161 HydrophobicContact CE2-CB 3.81Å; F158-E161 HydrophobicContact CZ-CB 3.61Å |
| 162 | G | 86.9 | Confident | 80.8 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.6 | -174.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H14 A15 | H14-G162 CarbonylContact C-O 3.53Å; H14-G162 VanDerWaalsContact CA-O 3.28Å; H14-G162 WeakPolarHBondContact CA-O 3.11Å; A15-G162 PolarHBondContact N-O 3.13Å; A15-G162 PolarHBondContact O-N 2.83Å |
| 163 | K | 86 | Confident | 78.2 | Confident | 176 Ų | 176 | 54.6 Ų | 54.6 | 77% | 0.765 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 140.6 | 165.5 | -62.9 | 179.1 | -179.3 | 179.1 | 0 | 108.5 | T165 | K163-T165 WeakPolarHBondContact O-CG2 3.39Å; K163-T165 PolarHBondContact O-N 2.69Å |
| 164 | A | 81.4 | Confident | 75.7 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 16% | 0.157 | 31% | 0.313 | C | S | . | . | trans | -56.3 | 103.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K13 A15 F85 M169 | K13-A164 WeakPolarHBondContact O-CB 3.41Å; K13-A164 PolarHBondContact O-N 2.56Å; A15-A164 HydrophobicContact CB-CB 4.07Å; F85-A164 HydrophobicContact CD1-CB 4.31Å; F85-A164 HydrophobicContact CE1-CB 3.94Å; A164-M169 HydrophobicContact CB-CG 4.24Å | ||
| 165 | T | 76.9 | Confident | 73 | Confident | 66 Ų | 66 | 64.9 Ų | 64.9 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | trans | -80.7 | 170.8 | 177.1 | 72.1 | 0 | 0 | 0 | 0 | 110.6 | K163 E167 D168 M169 | K163-T165 WeakPolarHBondContact O-CG2 3.39Å; K163-T165 PolarHBondContact O-N 2.69Å; T165-E167 PolarHBondContact O-N 2.86Å; T165-E167 PolarHBondContact OG1-N 2.75Å; T165-D168 WeakPolarHBondContact CB-OD2 3.22Å; T165-D168 PolarHBondContact N-OD2 2.89Å; T165-D168 VanDerWaalsContact N-OD2 3.15Å; T165-D168 PolarHBondContact O-N 2.83Å; T165-D168 VanDerWaalsContact O-N 3.15Å; T165-D168 PolarHBondContact OG1-N 2.86Å; T165-D168 PolarHBondContact OG1-OD2 2.77Å; T165-M169 WeakPolarHBondContact O-CG 3.5Å; T165-M169 PolarHBondContact O-N 3.2Å | ||
| 166 | D | 62.9 | Low | 70 | Confident | 59 Ų | 59 | 70.6 Ų | 70.6 | 32% | 0.316 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.4 | -21.7 | 173 | -156.3 | 50.2 | 0 | 0 | 0 | 113.3 | R7 D168 M169 Q170 | R7-D166 IonicContact CZ-OD1 3.79Å; R7-D166 IonicContact CZ-OD2 2.64Å; R7-D166 IonicContact NE-OD1 3.87Å; R7-D166 PolarHBondContact NE-OD1 3.07Å; R7-D166 IonicContact NH2-OD1 2.89Å; R7-D166 PolarHBondContact NH2-OD1 2.88Å; R7-D166 IonicContact NH2-OD2 3.76Å; R7-D166 PolarHBondContact NH2-OD2 3.24Å; D166-D168 VanDerWaalsContact C-N 3.3Å; D166-D168 PolarHBondContact O-N 2.84Å; D166-M169 HydrophobicContact CB-CE 4.49Å; D166-M169 PolarHBondContact O-N 2.79Å; D166-Q170 WeakPolarHBondContact O-CB 3.23Å; D166-Q170 WeakPolarHBondContact O-CG 3.16Å; D166-Q170 PolarHBondContact O-N 3.31Å; D166-Q170 PolarHBondContact OD2-NE2 3Å |
| 167 | E | 69.3 | Low | 67.3 | Low | 90 Ų | 90 | 74.3 Ų | 74.3 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.4 | -34.5 | 170 | -163.5 | -137.3 | 127.1 | 0 | 0 | 111.4 | K17 R160 T165 | K17-E167 IonicContact NZ-OE1 3.83Å; K17-E167 PolarHBondContact NZ-OE1 3.29Å; R160-E167 IonicContact CZ-OE1 3.11Å; R160-E167 IonicContact CZ-OE2 2.87Å; R160-E167 IonicContact NH1-OE1 2.81Å; R160-E167 IonicContact NH1-OE2 2.71Å; R160-E167 PolarHBondContact NH1-OE2 2.88Å; R160-E167 IonicContact NH2-OE1 2.72Å; R160-E167 PolarHBondContact NH2-OE1 2.91Å; R160-E167 VanDerWaalsContact NH2-OE1 3.16Å; R160-E167 IonicContact NH2-OE2 3.83Å; R160-E167 PolarHBondContact NH2-OE2 3.39Å; T165-E167 PolarHBondContact O-N 2.86Å; T165-E167 PolarHBondContact OG1-N 2.75Å |
| 168 | D | 73.5 | Confident | 64.5 | Low | 8 Ų | 8 | 77.7 Ų | 77.7 | 4% | 0.043 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -80.2 | -32.6 | 177.5 | -58.1 | -60.1 | 0 | 0 | 0 | 112.5 | A15 T83 F85 R160 T165 D166 | A15-D168 HydrophobicContact CB-CB 3.76Å; T83-D168 HydrophobicContact CG2-CB 4.08Å; F85-D168 WeakPolarHBondContact CZ-O 3.29Å; R160-D168 IonicContact CZ-OD1 2.77Å; R160-D168 IonicContact NE-OD1 2.73Å; R160-D168 IonicContact NH2-OD1 3.94Å; R160-D168 PolarHBondContact NH2-OD1 2.89Å; R160-D168 IonicContact NH2-OD2 2.74Å; T165-D168 WeakPolarHBondContact CB-OD2 3.22Å; T165-D168 PolarHBondContact N-OD2 2.89Å; T165-D168 VanDerWaalsContact N-OD2 3.15Å; T165-D168 PolarHBondContact O-N 2.83Å; T165-D168 VanDerWaalsContact O-N 3.15Å; T165-D168 PolarHBondContact OG1-N 2.86Å; T165-D168 PolarHBondContact OG1-OD2 2.77Å; D166-D168 VanDerWaalsContact C-N 3.3Å; D166-D168 PolarHBondContact O-N 2.84Å |
| 169 | M | 67.3 | Low | 62 | Low | 33 Ų | 33 | 83.9 Ų | 83.9 | 16% | 0.163 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -80.4 | -36.2 | 178.3 | -68.7 | -172.2 | -72.1 | 0 | 0 | 112.5 | R7 R10 A164 T165 D166 | R7-M169 HydrophobicContact CG-CB 4.23Å; R7-M169 HydrophobicContact CG-CE 4.04Å; R7-M169 HydrophobicContact CG-CG 4.5Å; R7-M169 HydrophobicContact CG-SD 3.54Å; R7-M169 VanDerWaalsContact CG-SD 3.54Å; R10-M169 HydrophobicContact CB-CG 4.32Å; R10-M169 HydrophobicContact CB-SD 4.19Å; A164-M169 HydrophobicContact CB-CG 4.24Å; T165-M169 WeakPolarHBondContact O-CG 3.5Å; T165-M169 PolarHBondContact O-N 3.2Å; D166-M169 HydrophobicContact CB-CE 4.49Å; D166-M169 PolarHBondContact O-N 2.79Å |
| 170 | Q | 60.8 | Low | 59.1 | Low | 83 Ų | 83 | 89.3 Ų | 89.3 | 39% | 0.388 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -60.2 | 141.3 | 162 | -72.1 | -179 | 37 | 0 | 0 | 108.9 | D166 | D166-Q170 WeakPolarHBondContact O-CB 3.23Å; D166-Q170 WeakPolarHBondContact O-CG 3.16Å; D166-Q170 PolarHBondContact O-N 3.31Å; D166-Q170 PolarHBondContact OD2-NE2 3Å |
| 171 | S | 49.1 | Very low | 56.3 | Low | 46 Ų | 46 | 88.8 Ų | 88.8 | 32% | 0.322 | 48% | 0.476 | S | S | . | . | trans | -81.2 | 128 | 161.5 | -62 | 0 | 0 | 0 | 0 | 106.4 | A173 S174 | S171-A173 PolarHBondContact O-N 2.9Å; S171-S174 VanDerWaalsContact O-CB 3.32Å; S171-S174 WeakPolarHBondContact O-CB 3.27Å; S171-S174 PolarHBondContact O-N 2.87Å | ||
| 172 | L | 45.5 | Very low | 53.7 | Low | 95 Ų | 95 | 93.2 Ų | 93.2 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -28.4 | 173.2 | -118.1 | 159.2 | 0 | 0 | 0 | 112.4 | S174 L175 | L172-S174 VanDerWaalsContact C-N 3.35Å; L172-S174 PolarHBondContact O-N 3.29Å; L172-L175 PolarHBondContact O-N 3.22Å |
| 173 | A | 41.3 | Very low | 51.1 | Low | 16 Ų | 16 | 97.9 Ų | 97.9 | 13% | 0.132 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -68.7 | -21.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R49 S171 L175 M176 S177 | R49-A173 HydrophobicContact CG-CB 3.43Å; R49-A173 VanDerWaalsContact CG-CB 3.43Å; S171-A173 PolarHBondContact O-N 2.9Å; A173-L175 PolarHBondContact O-N 2.61Å; A173-M176 CarbonylContact O-C 3.54Å; A173-M176 PolarHBondContact O-N 2.74Å; A173-S177 WeakPolarHBondContact O-CA 3.49Å; A173-S177 WeakPolarHBondContact O-CB 3.33Å; A173-S177 PolarHBondContact O-N 3.25Å |
| 174 | S | 42.5 | Very low | 48.8 | Very low | 89 Ų | 89 | 92.5 Ų | 92.5 | 62% | 0.622 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.3 | -20.5 | 173.2 | -66.5 | 0 | 0 | 0 | 0 | 112.7 | S171 L172 | S171-S174 VanDerWaalsContact O-CB 3.32Å; S171-S174 WeakPolarHBondContact O-CB 3.27Å; S171-S174 PolarHBondContact O-N 2.87Å; L172-S174 VanDerWaalsContact C-N 3.35Å; L172-S174 PolarHBondContact O-N 3.29Å |
| 175 | L | 39.6 | Very low | 46.6 | Very low | 132 Ų | 132 | 95 Ų | 95 | 69% | 0.691 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -80.9 | -36.8 | 169 | -134.2 | 73.5 | 0 | 0 | 0 | 111.6 | L172 A173 | L172-L175 PolarHBondContact O-N 3.22Å; A173-L175 PolarHBondContact O-N 2.61Å |
| 176 | M | 32.7 | Very low | 45 | Very low | 147 Ų | 147 | 98.6 Ų | 98.6 | 72% | 0.724 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -89.9 | -8.5 | -176.8 | -66.1 | -69.6 | -179.9 | 0 | 0 | 114.8 | A173 M178 | A173-M176 CarbonylContact O-C 3.54Å; A173-M176 PolarHBondContact O-N 2.74Å; M176-M178 PolarHBondContact O-N 2.67Å |
| 177 | S | 38.2 | Very low | 44.2 | Very low | 79 Ų | 79 | 98.4 Ų | 98.4 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 44.2 | -175 | -173.9 | 0 | 0 | 0 | 0 | 113.4 | A173 | A173-S177 WeakPolarHBondContact O-CA 3.49Å; A173-S177 WeakPolarHBondContact O-CB 3.33Å; A173-S177 PolarHBondContact O-N 3.25Å |
| 178 | M | 36 | Very low | 43.1 | Very low | 140 Ų | 140 | 99.1 Ų | 99.1 | 69% | 0.69 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.9 | 23.3 | 172 | -77.6 | -165.5 | 59.2 | 0 | 0 | 112.8 | M176 K534 | M176-M178 PolarHBondContact O-N 2.67Å; M178-K534 PolarHBondContact SD-NZ 3Å; M178-K534 VanDerWaalsContact SD-NZ 3.36Å |
| 179 | K | 41.8 | Very low | 41.6 | Very low | 198 Ų | 198 | 106.4 Ų | 106.4 | 86% | 0.861 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -145.9 | 48.5 | 176.5 | -133.4 | 175.3 | -173.2 | -178.8 | 0 | 116.3 | ||
| 180 | Q | 30.6 | Very low | 40.5 | Very low | 198 Ų | 198 | 110.6 Ų | 110.6 | 93% | 0.925 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -160.2 | 150.1 | 142.9 | -109.1 | 166.6 | 10.3 | 0 | 0 | 107.7 | ||
| 181 | A | 31.4 | Very low | 39.7 | Very low | 76 Ų | 76 | 108.5 Ų | 108.5 | 63% | 0.628 | 59% | 0.587 | S | S | * | * | trans | -84.3 | 137.5 | -166 | 0 | 0 | 0 | 0 | 0 | 112.6 | I183 | A181-I183 HydrophobicContact CB-CB 4.39Å; A181-I183 HydrophobicContact CB-CD1 3.88Å; A181-I183 HydrophobicContact CB-CG1 3.76Å; A181-I183 PolarHBondContact O-N 3.49Å | ||
| 182 | D | 34 | Very low | 39.5 | Very low | 178 Ų | 178 | 113 Ų | 113 | 95% | 0.952 | 60% | 0.603 | S | S | * | * | trans | -70.3 | 65.2 | 151.4 | -76.6 | -46.6 | 0 | 0 | 0 | 108.7 | ||||
| 183 | I | 33.3 | Very low | 39.3 | Very low | 128 Ų | 128 | 113.8 Ų | 113.8 | 66% | 0.656 | 61% | 0.608 | S | S | * | * | trans | -81 | 111.3 | 158.7 | -75.5 | 165.5 | 0 | 0 | 0 | 105.4 | A181 N185 | A181-I183 HydrophobicContact CB-CB 4.39Å; A181-I183 HydrophobicContact CB-CD1 3.88Å; A181-I183 HydrophobicContact CB-CG1 3.76Å; A181-I183 PolarHBondContact O-N 3.49Å; I183-N185 PolarHBondContact O-N 3.39Å; I183-N185 VanDerWaalsContact O-N 3.16Å | ||
| 184 | G | 37.6 | Very low | 39.8 | Very low | 62 Ų | 62 | 119.5 Ų | 119.5 | 64% | 0.639 | 63% | 0.632 | S | S | * | * | trans | -58.8 | 116 | 155.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | L186 | G184-L186 PolarHBondContact O-N 3.47Š| ||
| 185 | N | 34.5 | Very low | 40 | Very low | 71 Ų | 71 | 118.4 Ų | 118.4 | 38% | 0.38 | 62% | 0.617 | S | S | . | * | trans | -62.9 | 105.6 | -170.4 | -167.6 | 40.1 | 0 | 0 | 0 | 109.5 | I183 D187 D188 | I183-N185 PolarHBondContact O-N 3.39Å; I183-N185 VanDerWaalsContact O-N 3.16Å; N185-D187 WeakPolarHBondContact ND2-CB 3.32Å; N185-D187 PolarHBondContact O-N 2.98Å; N185-D188 PolarHBondContact ND2-OD1 3.28Å; N185-D188 WeakPolarHBondContact O-CB 3.45Å; N185-D188 PolarHBondContact O-N 2.94Å | ||
| 186 | L | 42.9 | Very low | 40.6 | Very low | 142 Ų | 142 | 116.9 Ų | 116.9 | 74% | 0.743 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -26 | -180 | -106.9 | 75.3 | 0 | 0 | 0 | 111.6 | G184 D188 F189 | G184-L186 PolarHBondContact O-N 3.47Å; L186-D188 PolarHBondContact O-N 3.17Å; L186-F189 PolarHBondContact O-N 3.29Å |
| 187 | D | 46.5 | Very low | 41.5 | Very low | 55 Ų | 55 | 113.8 Ų | 113.8 | 29% | 0.294 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59 | -25.4 | 171.5 | -79.3 | -12.1 | 0 | 0 | 0 | 114.2 | R110 N185 F189 E190 E191 | R110-D187 IonicContact CZ-OD1 3.3Å; R110-D187 IonicContact CZ-OD2 3.82Å; R110-D187 VanDerWaalsContact CZ-OD2 3.25Å; R110-D187 VanDerWaalsContact NE-CG 3.29Å; R110-D187 IonicContact NE-OD1 3.8Å; R110-D187 IonicContact NE-OD2 2.63Å; R110-D187 PolarHBondContact NE-OD2 3.11Å; R110-D187 IonicContact NH2-OD1 2.83Å; R110-D187 PolarHBondContact NH2-OD1 2.87Å; R110-D187 IonicContact NH2-OD2 2.97Å; R110-D187 PolarHBondContact NH2-OD2 2.75Å; R110-D187 VanDerWaalsContact NH2-OD2 3.12Å; N185-D187 WeakPolarHBondContact ND2-CB 3.32Å; N185-D187 PolarHBondContact O-N 2.98Å; D187-F189 PolarHBondContact O-N 3.36Å; D187-F189 VanDerWaalsContact O-N 3.16Å; D187-E190 PolarHBondContact O-N 3.26Å; D187-E191 PolarHBondContact O-N 2.77Å |
| 188 | D | 46.5 | Very low | 42 | Very low | 105 Ų | 105 | 115 Ų | 115 | 56% | 0.561 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.6 | -20.6 | 177.6 | -80.4 | 23.8 | 0 | 0 | 0 | 111.6 | N185 L186 | N185-D188 PolarHBondContact ND2-OD1 3.28Å; N185-D188 WeakPolarHBondContact O-CB 3.45Å; N185-D188 PolarHBondContact O-N 2.94Å; L186-D188 PolarHBondContact O-N 3.17Å |
| 189 | F | 41.2 | Very low | 42.6 | Very low | 161 Ų | 161 | 112.3 Ų | 112.3 | 71% | 0.706 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -83.9 | -14.7 | 174.2 | -68.8 | -82.1 | 0 | 0 | 0 | 114.1 | L186 D187 N193 | L186-F189 PolarHBondContact O-N 3.29Å; D187-F189 PolarHBondContact O-N 3.36Å; D187-F189 VanDerWaalsContact O-N 3.16Å; F189-N193 PolarHBondContact O-ND2 3.4Å |
| 190 | E | 44.2 | Very low | 43.2 | Very low | 121 Ų | 121 | 109.5 Ų | 109.5 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -83.1 | -35.9 | 172 | -67 | -165.4 | 146.3 | 0 | 0 | 111.5 | R110 D187 E192 N193 | R110-E190 IonicContact NH2-OE2 2.84Å; R110-E190 PolarHBondContact NH2-OE2 3.36Å; D187-E190 PolarHBondContact O-N 3.26Å; E190-E192 PolarHBondContact O-N 3.28Å; E190-N193 WeakPolarHBondContact O-CB 3.29Å; E190-N193 PolarHBondContact O-N 3.2Å |
| 191 | E | 45.2 | Very low | 44.3 | Very low | 39 Ų | 39 | 104.2 Ų | 104.2 | 18% | 0.182 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -78 | -18.4 | -171.8 | -58.8 | -164.5 | 157.5 | 0 | 0 | 114.8 | R110 K112 D187 N193 E194 E195 | R110-E191 WeakPolarHBondContact CD-OE1 3.11Å; R110-E191 IonicContact CZ-OE1 3.06Å; R110-E191 IonicContact NE-OE1 3.88Å; R110-E191 IonicContact NH1-OE1 3.72Å; R110-E191 PolarHBondContact NH1-OE1 3.26Å; K112-E191 WeakPolarHBondContact CE-OE1 3.34Å; K112-E191 WeakPolarHBondContact CE-OE2 3.37Å; K112-E191 IonicContact NZ-OE1 3.09Å; K112-E191 PolarHBondContact NZ-OE1 3.46Å; K112-E191 IonicContact NZ-OE2 2.7Å; K112-E191 PolarHBondContact NZ-OE2 3.05Å; D187-E191 PolarHBondContact O-N 2.77Å; E191-N193 VanDerWaalsContact C-N 3.27Å; E191-N193 PolarHBondContact O-N 3.29Å; E191-E194 PolarHBondContact O-N 3.29Å; E191-E195 PolarHBondContact O-N 3.16Å |
| 192 | E | 43.4 | Very low | 45.3 | Very low | 141 Ų | 141 | 102.8 Ų | 102.8 | 66% | 0.659 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -36.2 | 169.6 | -167.2 | 164.3 | -136.3 | 0 | 0 | 110.6 | E190 E194 D196 | E190-E192 PolarHBondContact O-N 3.28Å; E192-E194 PolarHBondContact O-N 3.08Å; E192-D196 WeakPolarHBondContact O-CB 3.21Å; E192-D196 PolarHBondContact O-N 3.43Å; E192-D196 VanDerWaalsContact O-N 3.11Å |
| 193 | N | 42.6 | Very low | 46.3 | Very low | 112 Ų | 112 | 100.7 Ų | 100.7 | 60% | 0.599 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.3 | -32.5 | 174.9 | -70.2 | -73.9 | 0 | 0 | 0 | 113.1 | F189 E190 E191 E197 | F189-N193 PolarHBondContact O-ND2 3.4Å; E190-N193 WeakPolarHBondContact O-CB 3.29Å; E190-N193 PolarHBondContact O-N 3.2Å; E191-N193 VanDerWaalsContact C-N 3.27Å; E191-N193 PolarHBondContact O-N 3.29Å; N193-E197 PolarHBondContact O-N 3.15Å |
| 194 | E | 50.3 | Low | 47.9 | Very low | 136 Ų | 136 | 100.8 Ų | 100.8 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -73.4 | -43 | 179.9 | -70.5 | -164.5 | 148 | 0 | 0 | 112.9 | E191 E192 D196 E197 E198 | E191-E194 PolarHBondContact O-N 3.29Å; E192-E194 PolarHBondContact O-N 3.08Å; E194-D196 VanDerWaalsContact C-N 3.29Å; E194-E197 PolarHBondContact O-N 2.98Å; E194-E198 PolarHBondContact O-N 3.4Å |
| 195 | E | 48.4 | Very low | 49.2 | Very low | 66 Ų | 66 | 102.6 Ų | 102.6 | 31% | 0.308 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.1 | -29.2 | 173 | -71.5 | -149.9 | 172.2 | 0 | 0 | 111.6 | K143 K144 E191 N199 | K143-E195 IonicContact NZ-OE2 3.79Å; K143-E195 PolarHBondContact NZ-OE2 3.37Å; K144-E195 WeakPolarHBondContact CE-OE1 3.46Å; K144-E195 IonicContact NZ-OE1 2.77Å; K144-E195 PolarHBondContact NZ-OE1 2.85Å; E191-E195 PolarHBondContact O-N 3.16Å; E195-N199 WeakPolarHBondContact O-CB 3.46Å; E195-N199 PolarHBondContact O-N 3.22Å; E195-N199 PolarHBondContact O-ND2 2.97Å |
| 196 | D | 50.8 | Low | 50.8 | Low | 100 Ų | 100 | 105 Ų | 105 | 54% | 0.535 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72 | -35.4 | 174.4 | -93.2 | -0.2 | 0 | 0 | 0 | 113.3 | E192 E194 N199 R200 | E192-D196 WeakPolarHBondContact O-CB 3.21Å; E192-D196 PolarHBondContact O-N 3.43Å; E192-D196 VanDerWaalsContact O-N 3.11Å; E194-D196 VanDerWaalsContact C-N 3.29Å; D196-N199 PolarHBondContact O-N 2.83Å; D196-R200 WeakPolarHBondContact O-CB 3.44Å; D196-R200 PolarHBondContact O-N 3.11Å |
| 197 | E | 51.7 | Low | 52 | Low | 82 Ų | 82 | 100.5 Ų | 100.5 | 38% | 0.383 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -45.3 | 175.6 | -83.8 | -69.9 | -174.6 | 0 | 0 | 112.8 | N193 E194 N199 R200 V201 | N193-E197 PolarHBondContact O-N 3.15Å; E194-E197 PolarHBondContact O-N 2.98Å; E197-N199 PolarHBondContact O-N 2.91Å; E197-R200 PolarHBondContact O-N 3.45Å; E197-R200 VanDerWaalsContact O-N 3.15Å; E197-R200 IonicContact OE1-CZ 3.89Å; E197-R200 IonicContact OE1-NH1 2.62Å; E197-R200 PolarHBondContact OE1-NH1 2.67Å; E197-R200 IonicContact OE1-NH2 3.13Å; E197-R200 PolarHBondContact OE1-NH2 2.88Å; E197-R200 IonicContact OE2-CZ 3.15Å; E197-R200 IonicContact OE2-NE 2.89Å; E197-R200 IonicContact OE2-NH1 2.69Å; E197-R200 PolarHBondContact OE2-NH1 3.39Å; E197-R200 IonicContact OE2-NH2 3.92Å; E197-R200 PolarHBondContact OE2-NH2 3.05Å; E197-V201 PolarHBondContact O-N 2.77Å |
| 198 | E | 48.8 | Very low | 53.4 | Low | 103 Ų | 103 | 100.8 Ų | 100.8 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 176 | -149.6 | -144.6 | 136.6 | 0 | 0 | 110.6 | K34 E194 N202 | K34-E198 IonicContact NZ-OE1 3.34Å; K34-E198 PolarHBondContact NZ-OE1 2.82Å; E194-E198 PolarHBondContact O-N 3.4Å; E198-N202 WeakPolarHBondContact O-CB 3.36Å; E198-N202 PolarHBondContact O-N 3.06Å; E198-N202 VanDerWaalsContact O-N 3.13Å; E198-N202 PolarHBondContact O-ND2 3.34Å; E198-N202 PolarHBondContact OE1-ND2 2.8Å |
| 199 | N | 48.2 | Very low | 54.6 | Low | 84 Ų | 84 | 100.9 Ų | 100.9 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68 | -39.6 | 174 | -78.8 | -61.2 | 0 | 0 | 0 | 112.6 | E195 D196 E197 N202 Q203 | E195-N199 WeakPolarHBondContact O-CB 3.46Å; E195-N199 PolarHBondContact O-N 3.22Å; E195-N199 PolarHBondContact O-ND2 2.97Å; D196-N199 PolarHBondContact O-N 2.83Å; E197-N199 PolarHBondContact O-N 2.91Å; N199-N202 CarbonylContact O-C 3.52Å; N199-N202 PolarHBondContact O-N 3.03Å; N199-Q203 VanDerWaalsContact O-CB 3.22Å; N199-Q203 WeakPolarHBondContact O-CB 3.29Å; N199-Q203 PolarHBondContact O-N 3.44Å |
| 200 | R | 54.2 | Low | 56.2 | Low | 139 Ų | 139 | 95.3 Ų | 95.3 | 53% | 0.525 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60 | -50.4 | 177 | -115.7 | 173.3 | 58 | -138.3 | -15 | 111.2 | D196 E197 N202 Q203 E204 | D196-R200 WeakPolarHBondContact O-CB 3.44Å; D196-R200 PolarHBondContact O-N 3.11Å; E197-R200 PolarHBondContact O-N 3.45Å; E197-R200 VanDerWaalsContact O-N 3.15Å; E197-R200 IonicContact OE1-CZ 3.89Å; E197-R200 IonicContact OE1-NH1 2.62Å; E197-R200 PolarHBondContact OE1-NH1 2.67Å; E197-R200 IonicContact OE1-NH2 3.13Å; E197-R200 PolarHBondContact OE1-NH2 2.88Å; E197-R200 IonicContact OE2-CZ 3.15Å; E197-R200 IonicContact OE2-NE 2.89Å; E197-R200 IonicContact OE2-NH1 2.69Å; E197-R200 PolarHBondContact OE2-NH1 3.39Å; E197-R200 IonicContact OE2-NH2 3.92Å; E197-R200 PolarHBondContact OE2-NH2 3.05Å; R200-N202 VanDerWaalsContact C-N 3.35Å; R200-N202 PolarHBondContact O-N 3.36Å; R200-Q203 CarbonylContact O-C 3.56Å; R200-Q203 PolarHBondContact O-N 3.07Å; R200-E204 WeakPolarHBondContact O-CB 3.41Å; R200-E204 PolarHBondContact O-N 2.92Å |
| 201 | V | 54.5 | Low | 57.6 | Low | 88 Ų | 88 | 93.2 Ų | 93.2 | 53% | 0.533 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 177.2 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | E197 Q203 E204 E205 | E197-V201 PolarHBondContact O-N 2.77Å; V201-Q203 PolarHBondContact O-N 2.98Å; V201-E204 PolarHBondContact O-N 3.21Å; V201-E205 PolarHBondContact O-N 3.45Å |
| 202 | N | 51.8 | Low | 59.1 | Low | 45 Ų | 45 | 95.3 Ų | 95.3 | 24% | 0.241 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -69.8 | -11.9 | 175.2 | -78.6 | -90.7 | 0 | 0 | 0 | 113.8 | K34 E198 N199 R200 K206 | K34-N202 PolarHBondContact NZ-ND2 2.92Å; K34-N202 PolarHBondContact NZ-OD1 2.94Å; E198-N202 WeakPolarHBondContact O-CB 3.36Å; E198-N202 PolarHBondContact O-N 3.06Å; E198-N202 VanDerWaalsContact O-N 3.13Å; E198-N202 PolarHBondContact O-ND2 3.34Å; E198-N202 PolarHBondContact OE1-ND2 2.8Å; N199-N202 CarbonylContact O-C 3.52Å; N199-N202 PolarHBondContact O-N 3.03Å; R200-N202 VanDerWaalsContact C-N 3.35Å; R200-N202 PolarHBondContact O-N 3.36Å; N202-K206 WeakPolarHBondContact O-CD 3.4Å; N202-K206 WeakPolarHBondContact O-CE 3.42Å; N202-K206 VanDerWaalsContact O-CG 3.3Å; N202-K206 WeakPolarHBondContact O-CG 3.46Å; N202-K206 PolarHBondContact O-NZ 3.27Å |
| 203 | Q | 56 | Low | 60.6 | Low | 134 Ų | 134 | 89.7 Ų | 89.7 | 63% | 0.626 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -99.6 | -34 | 176.7 | -174.2 | 167.2 | -3.3 | 0 | 0 | 111.3 | N199 R200 V201 K206 A207 | N199-Q203 VanDerWaalsContact O-CB 3.22Å; N199-Q203 WeakPolarHBondContact O-CB 3.29Å; N199-Q203 PolarHBondContact O-N 3.44Å; R200-Q203 CarbonylContact O-C 3.56Å; R200-Q203 PolarHBondContact O-N 3.07Å; V201-Q203 PolarHBondContact O-N 2.98Å; Q203-K206 PolarHBondContact O-N 3.29Å; Q203-A207 WeakPolarHBondContact O-CB 3.49Å; Q203-A207 PolarHBondContact O-N 3.49Å |
| 204 | E | 66.8 | Low | 62.1 | Low | 130 Ų | 130 | 87.4 Ų | 87.4 | 61% | 0.607 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.3 | -42.9 | 172.2 | -173.1 | 164.8 | -160.8 | 0 | 0 | 111.4 | R200 V201 K206 A207 A208 | R200-E204 WeakPolarHBondContact O-CB 3.41Å; R200-E204 PolarHBondContact O-N 2.92Å; V201-E204 PolarHBondContact O-N 3.21Å; E204-K206 VanDerWaalsContact C-N 3.25Å; E204-K206 PolarHBondContact O-N 3.04Å; E204-A207 PolarHBondContact O-N 3.26Å; E204-A208 WeakPolarHBondContact O-CB 3.46Å; E204-A208 PolarHBondContact O-N 3.3Å |
| 205 | E | 65.7 | Low | 63 | Low | 100 Ų | 100 | 85.6 Ų | 85.6 | 47% | 0.467 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62 | -33.7 | 173.9 | -157.8 | -141.1 | 140.3 | 0 | 0 | 112.3 | V201 K209 | V201-E205 PolarHBondContact O-N 3.45Å; E205-K209 PolarHBondContact O-N 2.85Å; E205-K209 WeakPolarHBondContact OE1-CE 3.49Å; E205-K209 IonicContact OE1-NZ 3.13Å; E205-K209 PolarHBondContact OE1-NZ 3.26Å |
| 206 | K | 67.4 | Low | 64 | Low | 123 Ų | 123 | 87.2 Ų | 87.2 | 54% | 0.535 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -72.4 | -43.4 | 174.1 | -68.7 | 171.7 | -168.8 | 129.3 | 0 | 111.3 | N202 Q203 E204 K209 I210 | N202-K206 WeakPolarHBondContact O-CD 3.4Å; N202-K206 WeakPolarHBondContact O-CE 3.42Å; N202-K206 VanDerWaalsContact O-CG 3.3Å; N202-K206 WeakPolarHBondContact O-CG 3.46Å; N202-K206 PolarHBondContact O-NZ 3.27Å; Q203-K206 PolarHBondContact O-N 3.29Å; E204-K206 VanDerWaalsContact C-N 3.25Å; E204-K206 PolarHBondContact O-N 3.04Å; K206-K209 PolarHBondContact O-N 3.36Å; K206-I210 WeakPolarHBondContact O-CD1 3.37Å; K206-I210 VanDerWaalsContact O-CG1 3.26Å; K206-I210 WeakPolarHBondContact O-CG1 3.36Å; K206-I210 PolarHBondContact O-N 2.82Å |
| 207 | A | 67.5 | Low | 64.6 | Low | 47 Ų | 47 | 87.6 Ų | 87.6 | 39% | 0.388 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q203 E204 K209 I210 T211 | Q203-A207 WeakPolarHBondContact O-CB 3.49Å; Q203-A207 PolarHBondContact O-N 3.49Å; E204-A207 PolarHBondContact O-N 3.26Å; A207-K209 PolarHBondContact O-N 3.07Å; A207-I210 WeakPolarHBondContact O-CB 3.28Å; A207-I210 PolarHBondContact O-N 3.42Å; A207-I210 VanDerWaalsContact O-N 3.1Å; A207-T211 PolarHBondContact O-N 3.34Å; A207-T211 PolarHBondContact O-OG1 3Å |
| 208 | A | 76.1 | Confident | 65.1 | Low | 60 Ų | 60 | 88.7 Ų | 88.7 | 50% | 0.496 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.1 | -46.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E204 I210 T211 E212 | E204-A208 WeakPolarHBondContact O-CB 3.46Å; E204-A208 PolarHBondContact O-N 3.3Å; A208-I210 PolarHBondContact O-N 3.05Å; A208-T211 PolarHBondContact O-N 3.4Å; A208-E212 PolarHBondContact O-N 3.02Å |
| 209 | K | 72.1 | Confident | 65.7 | Low | 108 Ų | 108 | 87.9 Ų | 87.9 | 47% | 0.47 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 174 | -82.6 | 168.2 | 175.9 | 166.2 | 0 | 112.4 | E205 K206 A207 E212 I213 | E205-K209 PolarHBondContact O-N 2.85Å; E205-K209 WeakPolarHBondContact OE1-CE 3.49Å; E205-K209 IonicContact OE1-NZ 3.13Å; E205-K209 PolarHBondContact OE1-NZ 3.26Å; K206-K209 PolarHBondContact O-N 3.36Å; A207-K209 PolarHBondContact O-N 3.07Å; K209-E212 WeakPolarHBondContact O-CB 3.47Å; K209-E212 PolarHBondContact O-N 3.38Å; K209-I213 WeakPolarHBondContact O-CD1 3.18Å; K209-I213 WeakPolarHBondContact O-CG1 3.37Å; K209-I213 PolarHBondContact O-N 2.95Å; K209-I213 VanDerWaalsContact O-N 3.11Å |
| 210 | I | 74.2 | Confident | 65.7 | Low | 43 Ų | 43 | 91.2 Ų | 91.2 | 22% | 0.221 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.2 | -69.8 | 159.2 | 0 | 0 | 0 | 110.7 | K206 A207 A208 E212 I213 V214 A911 V913 | K206-I210 WeakPolarHBondContact O-CD1 3.37Å; K206-I210 VanDerWaalsContact O-CG1 3.26Å; K206-I210 WeakPolarHBondContact O-CG1 3.36Å; K206-I210 PolarHBondContact O-N 2.82Å; A207-I210 WeakPolarHBondContact O-CB 3.28Å; A207-I210 PolarHBondContact O-N 3.42Å; A207-I210 VanDerWaalsContact O-N 3.1Å; A208-I210 PolarHBondContact O-N 3.05Å; I210-E212 PolarHBondContact O-N 3.48Å; I210-I213 PolarHBondContact O-N 3.16Å; I210-V214 HydrophobicContact CG2-CG2 4.4Å; I210-V214 WeakPolarHBondContact O-CG2 3.47Å; I210-V214 PolarHBondContact O-N 3.15Å; I210-A911 HydrophobicContact CG1-CB 4.31Å; I210-V913 HydrophobicContact CD1-CG2 3.78Å; I210-V913 HydrophobicContact CG2-CG2 3.9Å |
| 211 | T | 73.8 | Confident | 65.4 | Low | 78 Ų | 78 | 88.2 Ų | 88.2 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 175.5 | -52.5 | 0 | 0 | 0 | 0 | 112.3 | A207 A208 I213 V214 N215 | A207-T211 PolarHBondContact O-N 3.34Å; A207-T211 PolarHBondContact O-OG1 3Å; A208-T211 PolarHBondContact O-N 3.4Å; T211-I213 VanDerWaalsContact C-N 3.31Å; T211-I213 PolarHBondContact O-N 3.17Å; T211-V214 PolarHBondContact O-N 2.93Å; T211-N215 WeakPolarHBondContact O-CB 3.49Å; T211-N215 PolarHBondContact O-N 2.95Å; T211-N215 PolarHBondContact O-ND2 3.38Å |
| 212 | E | 77.8 | Confident | 64.6 | Low | 83 Ų | 83 | 89.3 Ų | 89.3 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.2 | -44.6 | 172.5 | -165.1 | -149.6 | 127.9 | 0 | 0 | 111.1 | A208 K209 I210 Q216 K909 | A208-E212 PolarHBondContact O-N 3.02Å; K209-E212 WeakPolarHBondContact O-CB 3.47Å; K209-E212 PolarHBondContact O-N 3.38Å; I210-E212 PolarHBondContact O-N 3.48Å; E212-Q216 WeakPolarHBondContact O-CG 3.42Å; E212-Q216 PolarHBondContact O-N 3.18Å; E212-Q216 PolarHBondContact OE1-NE2 3.11Å; E212-K909 IonicContact OE1-NZ 2.96Å; E212-K909 PolarHBondContact OE1-NZ 2.93Å |
| 213 | I | 74.3 | Confident | 64.1 | Low | 22 Ų | 22 | 95.4 Ų | 95.4 | 11% | 0.113 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -69.5 | -44.3 | 179.6 | -63.7 | 153.2 | 0 | 0 | 0 | 111.4 | K209 I210 T211 N215 Q216 L217 A910 A911 | K209-I213 WeakPolarHBondContact O-CD1 3.18Å; K209-I213 WeakPolarHBondContact O-CG1 3.37Å; K209-I213 PolarHBondContact O-N 2.95Å; K209-I213 VanDerWaalsContact O-N 3.11Å; I210-I213 PolarHBondContact O-N 3.16Å; T211-I213 VanDerWaalsContact C-N 3.31Å; T211-I213 PolarHBondContact O-N 3.17Å; I213-N215 VanDerWaalsContact C-N 3.31Å; I213-N215 PolarHBondContact O-N 3.13Å; I213-Q216 PolarHBondContact O-N 3.18Å; I213-L217 HydrophobicContact CG2-CD1 4.12Å; I213-L217 WeakPolarHBondContact O-CG 3.48Å; I213-L217 PolarHBondContact O-N 3.42Å; I213-A910 HydrophobicContact CB-CB 4.49Å; I213-A910 HydrophobicContact CD1-CB 3.34Å; I213-A910 HydrophobicContact CG1-CB 3.76Å; I213-A910 HydrophobicContact CG2-CB 3.93Å; I213-A911 HydrophobicContact CB-CB 4.37Å; I213-A911 HydrophobicContact CD1-CB 3.87Å; I213-A911 HydrophobicContact CG2-CB 3.96Å |
| 214 | V | 73.5 | Confident | 63.1 | Low | 64 Ų | 64 | 97.7 Ų | 97.7 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 177.2 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | I210 T211 L217 N218 | I210-V214 HydrophobicContact CG2-CG2 4.4Å; I210-V214 WeakPolarHBondContact O-CG2 3.47Å; I210-V214 PolarHBondContact O-N 3.15Å; T211-V214 PolarHBondContact O-N 2.93Å; V214-L217 PolarHBondContact O-N 2.94Å; V214-N218 WeakPolarHBondContact O-CB 3.46Å; V214-N218 PolarHBondContact O-N 3.36Å |
| 215 | N | 69.9 | Low | 61.4 | Low | 99 Ų | 99 | 94.8 Ų | 94.8 | 53% | 0.529 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.1 | -36.2 | 174.1 | -75.4 | -21.9 | 0 | 0 | 0 | 112.5 | T211 I213 L217 A219 | T211-N215 WeakPolarHBondContact O-CB 3.49Å; T211-N215 PolarHBondContact O-N 2.95Å; T211-N215 PolarHBondContact O-ND2 3.38Å; I213-N215 VanDerWaalsContact C-N 3.31Å; I213-N215 PolarHBondContact O-N 3.13Å; N215-L217 VanDerWaalsContact C-N 3.35Å; N215-A219 WeakPolarHBondContact O-CB 3.37Å; N215-A219 PolarHBondContact O-N 3.35Å |
| 216 | Q | 68.6 | Low | 59.8 | Low | 99 Ų | 99 | 97.9 Ų | 97.9 | 46% | 0.463 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.2 | -36.4 | 172.1 | -73.2 | 165.5 | 30.1 | 0 | 0 | 112.1 | E212 I213 L220 | E212-Q216 WeakPolarHBondContact O-CG 3.42Å; E212-Q216 PolarHBondContact O-N 3.18Å; E212-Q216 PolarHBondContact OE1-NE2 3.11Å; I213-Q216 PolarHBondContact O-N 3.18Å; Q216-L220 WeakPolarHBondContact O-CG 3.43Å |
| 217 | L | 64.6 | Low | 58.8 | Low | 108 Ų | 108 | 96.7 Ų | 96.7 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -71.9 | -41.8 | 175.2 | -71.6 | 166.3 | 0 | 0 | 0 | 112.5 | I213 V214 N215 A219 L220 S221 | I213-L217 HydrophobicContact CG2-CD1 4.12Å; I213-L217 WeakPolarHBondContact O-CG 3.48Å; I213-L217 PolarHBondContact O-N 3.42Å; V214-L217 PolarHBondContact O-N 2.94Å; N215-L217 VanDerWaalsContact C-N 3.35Å; L217-A219 VanDerWaalsContact C-N 3.32Å; L217-A219 PolarHBondContact O-N 2.71Å; L217-L220 PolarHBondContact O-N 2.7Å; L217-L220 VanDerWaalsContact O-N 3.11Å; L217-S221 PolarHBondContact O-N 3.45Å |
| 218 | N | 61 | Low | 57.1 | Low | 105 Ų | 105 | 103.6 Ų | 103.6 | 56% | 0.561 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65 | -33.9 | 174.9 | -81.5 | -26 | 0 | 0 | 0 | 112.3 | V214 L220 S221 | V214-N218 WeakPolarHBondContact O-CB 3.46Å; V214-N218 PolarHBondContact O-N 3.36Å; N218-L220 PolarHBondContact O-N 2.98Å; N218-S221 PolarHBondContact O-N 3.15Å |
| 219 | A | 61.4 | Low | 54.8 | Low | 86 Ų | 86 | 112.1 Ų | 112.1 | 71% | 0.711 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -17.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N215 L217 | N215-A219 WeakPolarHBondContact O-CB 3.37Å; N215-A219 PolarHBondContact O-N 3.35Å; L217-A219 VanDerWaalsContact C-N 3.32Å; L217-A219 PolarHBondContact O-N 2.71Å |
| 220 | L | 49.5 | Very low | 52.8 | Low | 155 Ų | 155 | 111.1 Ų | 111.1 | 81% | 0.812 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -3.3 | 178 | -67.1 | 172.8 | 0 | 0 | 0 | 113.5 | Q216 L217 N218 | Q216-L220 WeakPolarHBondContact O-CG 3.43Å; L217-L220 PolarHBondContact O-N 2.7Å; L217-L220 VanDerWaalsContact O-N 3.11Å; N218-L220 PolarHBondContact O-N 2.98Å |
| 221 | S | 46.4 | Very low | 50.7 | Low | 75 Ų | 75 | 120.7 Ų | 120.7 | 52% | 0.524 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -110 | 138.7 | -176.9 | -161.6 | 0 | 0 | 0 | 0 | 112.3 | L217 N218 | L217-S221 PolarHBondContact O-N 3.45Å; N218-S221 PolarHBondContact O-N 3.15Å |
| 222 | C | 38.8 | Very low | 48.6 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | trans | 69.7 | 45.4 | 169 | -61.5 | 0 | 0 | 0 | 0 | 119.2 | H224 | C222-H224 VanDerWaalsContact C-N 3.26Å; C222-H224 PolarHBondContact O-N 3.46Å | ||
| 223 | L | 39.9 | Very low | 46.2 | Very low | 173 Ų | 173 | 127 Ų | 127 | 91% | 0.906 | 68% | 0.682 | S | S | * | * | trans | -90.6 | 49.6 | 150.3 | -163.1 | 74.7 | 0 | 0 | 0 | 112 | ||||
| 224 | H | 35.5 | Very low | 43.9 | Very low | 182 Ų | 182 | 132.6 Ų | 132.6 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | trans | -168 | 147.6 | 174.7 | -116.8 | 66.4 | 0 | 0 | 0 | 108.9 | C222 | C222-H224 VanDerWaalsContact C-N 3.26Å; C222-H224 PolarHBondContact O-N 3.46Å | ||
| 225 | G | 31.8 | Very low | 41.9 | Very low | 68 Ų | 68 | 134.5 Ų | 134.5 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | cis | -168.9 | 125.4 | -6.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 226 | I | 32 | Very low | 40.1 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | trans | -76 | 163.7 | -177 | -71.9 | 168.5 | 0 | 0 | 0 | 110.7 | ||||
| 227 | P | 47 | Very low | 38.9 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | -139.9 | -168.3 | 5.3 | 24.5 | 3.4 | 0 | 0 | 0 | 117.5 | ||||
| 228 | K | 30.7 | Very low | 37 | Very low | 192 Ų | 192 | 140.6 Ų | 140.6 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | 91.8 | 151 | 149.7 | -57.2 | 178.4 | -171.4 | 165.7 | 0 | 118.9 | ||||
| 229 | R | 28.8 | Very low | 35.3 | Very low | 238 Ų | 238 | 140.7 Ų | 140.7 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | cis | -169.6 | 144.9 | -32.5 | -163.1 | -179.5 | -172.9 | 176.6 | 3.2 | 110.1 | ||||
| 230 | A | 30.3 | Very low | 33.8 | Very low | 87 Ų | 87 | 142.6 Ų | 142.6 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | trans | 66.1 | 111.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 231 | R | 30.2 | Very low | 32.8 | Very low | 244 Ų | 244 | 140.2 Ų | 140.2 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | 6.9 | 122.8 | 132.7 | -59.8 | 170.4 | 172.7 | 166.3 | -4.8 | 118.6 | ||||
| 232 | K | 28.5 | Very low | 31.7 | Very low | 214 Ų | 214 | 145.9 Ų | 145.9 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | -172.5 | 167.5 | 110.2 | -112.2 | -175.8 | 177.7 | -175.6 | 0 | 114.9 | |||||
| 233 | A | 27.6 | Very low | 31.2 | Very low | 79 Ų | 79 | 148.1 Ų | 148.1 | 65% | 0.653 | 83% | 0.83 | S | S | * | * | trans | -75.5 | 163.3 | -164.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 234 | T | 26.1 | Very low | 30.6 | Very low | 141 Ų | 141 | 145 Ų | 145 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | trans | 59.1 | 106.8 | 144.2 | 52.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 235 | A | 30.7 | Very low | 30.2 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | -167.2 | 156.4 | 122.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 236 | K | 33.1 | Very low | 29.9 | Very low | 205 Ų | 205 | 145.4 Ų | 145.4 | 89% | 0.891 | 83% | 0.828 | S | S | * | * | trans | -108.6 | -176.4 | 169.1 | -59.2 | -175.1 | 176.4 | -176.9 | 0 | 108.8 | ||||
| 237 | P | 43.2 | Very low | 30.2 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | cis | -133.8 | 162.7 | -7.6 | 40.2 | -24.2 | 0 | 0 | 0 | 116.1 | ||||
| 238 | A | 23.9 | Very low | 29.4 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 87% | 0.868 | 84% | 0.837 | S | S | * | * | trans | -165.3 | 155.2 | 144.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 239 | A | 26.2 | Very low | 29.4 | Very low | 106 Ų | 106 | 145.5 Ų | 145.5 | 88% | 0.876 | 83% | 0.833 | S | S | * | * | trans | -92.3 | 139.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 240 | S | 29.6 | Very low | 29.4 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -154.6 | 153 | 133.2 | 55.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 241 | S | 28.2 | Very low | 29 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | trans | -93.2 | 122 | -163.6 | 47 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 242 | Q | 24.9 | Very low | 28.7 | Very low | 194 Ų | 194 | 140.2 Ų | 140.2 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | trans | -95.2 | 137 | 144.5 | -65.6 | -178.6 | -97 | 0 | 0 | 107.5 | ||||
| 243 | D | 26.6 | Very low | 28.6 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -119 | 134.6 | 168.2 | -86.4 | -55 | 0 | 0 | 0 | 110.4 | ||||
| 244 | S | 28.5 | Very low | 28.6 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -154.2 | 94.3 | 177.5 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 245 | N | 26.2 | Very low | 28.6 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -176 | 145.7 | 154.9 | -108.2 | -8.2 | 0 | 0 | 0 | 111.9 | ||||
| 246 | A | 26.2 | Very low | 28.8 | Very low | 93 Ų | 93 | 140.8 Ų | 140.8 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -169.4 | 74.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 247 | T | 38.1 | Very low | 28.7 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -135.2 | 46.2 | 159.7 | 57.2 | 0 | 0 | 0 | 0 | 111 | ||
| 248 | E | 30.3 | Very low | 28.1 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -158.8 | 149.8 | 172.8 | -127.1 | -179.7 | -167.5 | 0 | 0 | 108.5 | ||
| 249 | L | 31.5 | Very low | 28.5 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 48.7 | 116.3 | 162.7 | -48.8 | 176.4 | 0 | 0 | 0 | 116.5 | ||||
| 250 | I | 27 | Very low | 28.7 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | -128.7 | 134.2 | 56.8 | -71.2 | 158.1 | 0 | 0 | 0 | 111.7 | |||||
| 251 | N | 22.3 | Very low | 28.6 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 67% | 0.668 | 76% | 0.761 | S | S | * | * | trans | -120.4 | 105.3 | 171.2 | -177.4 | 6 | 0 | 0 | 0 | 108.3 | ||||
| 252 | K | 23.8 | Very low | 28.5 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 73% | 0.726 | 76% | 0.763 | S | S | * | * | trans | 66.1 | 151.5 | 177.1 | -55.9 | 160.8 | -173.3 | -171.9 | 0 | 112.6 | ||||
| 253 | L | 27.6 | Very low | 28.4 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | cis | -142.1 | 166.4 | 27.2 | -77.3 | 166.3 | 0 | 0 | 0 | 109 | F255 | L253-F255 HydrophobicContact CD2-CE2 4.43Š| ||
| 254 | N | 26.9 | Very low | 28.4 | Very low | 121 Ų | 121 | 140 Ų | 140 | 65% | 0.647 | 76% | 0.759 | S | S | * | * | cis | -156.7 | 139.9 | 28.3 | -117.5 | -10.8 | 0 | 0 | 0 | 110.9 | ||||
| 255 | F | 26.4 | Very low | 29.8 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | 52.1 | 134.5 | 129.2 | -78.4 | -110.4 | 0 | 0 | 0 | 120.3 | L253 | L253-F255 HydrophobicContact CD2-CE2 4.43Š| |||
| 256 | L | 33.4 | Very low | 29.7 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 67% | 0.665 | 76% | 0.755 | S | S | * | * | cis | -135.4 | 144.3 | 14.9 | -85.9 | 161.2 | 0 | 0 | 0 | 109.2 | ||||
| 257 | E | 31.4 | Very low | 29.8 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | 62.9 | 134 | 87.3 | -90.9 | 157.7 | -133.4 | 0 | 0 | 113 | |||||
| 258 | D | 31.2 | Very low | 29.3 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | cis | -137.5 | 176.3 | 25.8 | -76.6 | -56.9 | 0 | 0 | 0 | 116.5 | ||||
| 259 | E | 32.9 | Very low | 29.1 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | -53.5 | -176.3 | 173 | -48.9 | 177.6 | 124.7 | 0 | 0 | 115.1 | ||||
| 260 | D | 29.9 | Very low | 29.6 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -159.1 | -163.6 | 17.9 | -155.1 | -3.3 | 0 | 0 | 0 | 113.9 | ||||
| 261 | Q | 26.3 | Very low | 30.1 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | -78.6 | 174.9 | -166.8 | -71 | 168.4 | 35.4 | 0 | 0 | 119 | ||||
| 262 | D | 26.1 | Very low | 30.3 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | -13.1 | 141 | 163.1 | -67.8 | -58.9 | 0 | 0 | 0 | 120.1 | ||||
| 263 | S | 23 | Very low | 30.5 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | -175.1 | 149.6 | 124.7 | -87.3 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 264 | A | 28 | Very low | 31 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | trans | -141.4 | 167.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 265 | P | 56.8 | Low | 31.8 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | cis | -129.1 | -165.7 | 3.3 | 41.7 | -25.1 | 0 | 0 | 0 | 112.6 | ||||
| 266 | T | 24.1 | Very low | 31.8 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | 172.9 | 147.2 | 118 | -70.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 267 | M | 28.6 | Very low | 31.4 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -52.6 | 171 | 169.7 | -74.7 | -169 | 179.8 | 0 | 0 | 116 | ||||
| 268 | M | 28 | Very low | 31.2 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | cis | -168.9 | 165 | -6.8 | -102.8 | -90.9 | -173.5 | 0 | 0 | 108.2 | ||||
| 269 | N | 26.8 | Very low | 30.9 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | 157.2 | 142 | 121.5 | -81 | -39.3 | 0 | 0 | 0 | 114.4 | |||||
| 270 | N | 40.9 | Very low | 31 | Very low | 141 Ų | 141 | 143 Ų | 143 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | -90.5 | 175.2 | 164.3 | -55 | -33.3 | 0 | 0 | 0 | 109.8 | ||||
| 271 | P | 37.3 | Very low | 31.5 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | -145 | -175.8 | 91.6 | 37.7 | -20.3 | 0 | 0 | 0 | 115.1 | |||||
| 272 | F | 27.3 | Very low | 31.6 | Very low | 186 Ų | 186 | 144.5 Ų | 144.5 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | -76.8 | 157.5 | 177.1 | -84.5 | -120.6 | 0 | 0 | 0 | 112.8 | ||||
| 273 | D | 27.1 | Very low | 32.3 | Very low | 162 Ų | 162 | 143 Ų | 143 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | -175.8 | 142.1 | 112.9 | -89.8 | -17.1 | 0 | 0 | 0 | 112.8 | |||||
| 274 | E | 39.3 | Very low | 32.7 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -95.3 | 151.4 | 156.5 | -77 | -173.8 | 135.5 | 0 | 0 | 107.1 | ||||
| 275 | P | 43 | Very low | 32.9 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | -156.8 | -176.2 | 73.6 | 43.8 | -23.6 | 0 | 0 | 0 | 116.4 | |||||
| 276 | D | 26.1 | Very low | 32.2 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | 52.8 | 159.4 | 151.7 | -58.7 | -27.3 | 0 | 0 | 0 | 119.9 | ||||
| 277 | G | 25.7 | Very low | 32.4 | Very low | 65 Ų | 65 | 150.3 Ų | 150.3 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | cis | 160.1 | 137.6 | -6.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 278 | D | 26.7 | Very low | 32.3 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 74.3 | 155.8 | 154.9 | -139.1 | 14.4 | 0 | 0 | 0 | 121.8 | ||||
| 279 | R | 24.4 | Very low | 32.7 | Very low | 212 Ų | 212 | 147.1 Ų | 147.1 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | 79.7 | 106 | 152.8 | -76.7 | 155.9 | -162.8 | -91.9 | -11.6 | 125 | ||||
| 280 | H | 35.7 | Very low | 33.8 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | -50.2 | 156 | 130 | -97.1 | -79.9 | 0 | 0 | 0 | 112.8 | |||||
| 281 | P | 40.5 | Very low | 33.4 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | -145.8 | 167.6 | 101.1 | 38.3 | -23.2 | 0 | 0 | 0 | 117.1 | |||||
| 282 | Y | 29.4 | Very low | 33.3 | Very low | 208 Ų | 208 | 141.7 Ų | 141.7 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | -63.1 | 163.3 | 165.9 | -67.5 | -93.6 | 0 | 0 | 0 | 112.5 | ||||
| 283 | P | 40.4 | Very low | 33.6 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | -129.3 | -176.1 | 71 | 44.3 | -33.3 | 0 | 0 | 0 | 112.1 | |||||
| 284 | L | 31.7 | Very low | 33.6 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | cis | -136.3 | 170.5 | 6.1 | -100.2 | -176.2 | 0 | 0 | 0 | 109.9 | ||||
| 285 | N | 31.1 | Very low | 32.9 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 73% | 0.726 | S | S | * | * | trans | -135.1 | 144.3 | 161.5 | -130 | 32.1 | 0 | 0 | 0 | 108.9 | ||||
| 286 | P | 43.2 | Very low | 31.8 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | trans | -143.9 | 103.7 | 160 | 34.8 | -15.5 | 0 | 0 | 0 | 114.8 | ||||
| 287 | F | 27 | Very low | 31.7 | Very low | 211 Ų | 211 | 137.7 Ų | 137.7 | 93% | 0.925 | 73% | 0.725 | S | S | * | * | trans | 64.3 | 139.3 | 166.8 | -46.5 | -80 | 0 | 0 | 0 | 117.4 | ||||
| 288 | G | 26.8 | Very low | 31.6 | Very low | 77 Ų | 77 | 139.1 Ų | 139.1 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | cis | -167.2 | 170 | -3.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 289 | D | 36.7 | Very low | 31.5 | Very low | 151 Ų | 151 | 144 Ų | 144 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | trans | -133.6 | 173.2 | -170.8 | -119.4 | -14.3 | 0 | 0 | 0 | 109.8 | ||||
| 290 | P | 49.1 | Very low | 32.2 | Very low | 46 Ų | 46 | 139.7 Ų | 139.7 | 30% | 0.299 | 73% | 0.733 | S | S | . | * | cis | -118.4 | -127.1 | -13.1 | 36 | -15.2 | 0 | 0 | 0 | 111.1 | E741 | P290-E741 VanDerWaalsContact CD-N 3.33Š| ||
| 291 | D | 32.8 | Very low | 31.7 | Very low | 89 Ų | 89 | 142.8 Ų | 142.8 | 48% | 0.476 | 74% | 0.739 | S | S | . | * | cis | -105.7 | 178 | 13.6 | -52.4 | -42.4 | 0 | 0 | 0 | 111.4 | E741 R742 | D291-E741 VanDerWaalsContact OD1-CA 3.3Å; D291-E741 WeakPolarHBondContact OD1-CA 3.46Å; D291-E741 PolarHBondContact OD1-N 3.43Å; D291-R742 VanDerWaalsContact CG-N 3.29Å; D291-R742 PolarHBondContact OD1-N 2.66Å; D291-R742 WeakPolarHBondContact OD2-CA 3.48Å; D291-R742 WeakPolarHBondContact OD2-CB 3.49Å; D291-R742 PolarHBondContact OD2-N 3.36Å | ||
| 292 | E | 35.3 | Very low | 31 | Very low | 170 Ų | 170 | 146 Ų | 146 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | cis | 71.3 | 148.5 | 24 | -58.9 | -120.8 | 80.7 | 0 | 0 | 115.7 | ||||
| 293 | E | 33.3 | Very low | 30.8 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | cis | -147 | 145.4 | 2.7 | -158.9 | -147.9 | 131.5 | 0 | 0 | 111.9 | ||||
| 294 | G | 28 | Very low | 29.9 | Very low | 67 Ų | 67 | 143.3 Ų | 143.3 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | trans | 66.1 | -171.4 | 141.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 295 | S | 23.2 | Very low | 29.7 | Very low | 82 Ų | 82 | 142.9 Ų | 142.9 | 57% | 0.573 | 73% | 0.727 | S | S | * | * | cis | -168.4 | 111 | -20.5 | -118.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 296 | W | 21.4 | Very low | 29.8 | Very low | 216 Ų | 216 | 141 Ų | 141 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | 60.3 | 179.2 | 165.7 | -44.6 | 92.4 | 0 | 0 | 0 | 116.5 | ||||
| 297 | R | 22.6 | Very low | 29.5 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | cis | -156.7 | 166.3 | -6.8 | -148.5 | 174.7 | -103.3 | -115.3 | -0.1 | 110.3 | ||||
| 298 | S | 23.5 | Very low | 29.4 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | trans | 69.9 | 121.3 | 153.8 | -64.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 299 | R | 24.5 | Very low | 30.3 | Very low | 239 Ų | 239 | 142.1 Ų | 142.1 | 90% | 0.902 | 72% | 0.722 | S | S | * | * | 70.9 | 149.2 | 75.2 | -79.4 | -170 | 179.1 | -152.2 | 4.3 | 114.3 | |||||
| 300 | P | 39.7 | Very low | 29.7 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | cis | -133.9 | -166.9 | -5.7 | 38.9 | -18.7 | 0 | 0 | 0 | 115.1 | ||||
| 301 | Y | 24.8 | Very low | 28.6 | Very low | 231 Ų | 231 | 144.5 Ų | 144.5 | 91% | 0.906 | 75% | 0.746 | S | S | * | * | trans | -60.8 | 146.3 | 173 | -78.9 | -110.4 | 0 | 0 | 0 | 115.4 | ||||
| 302 | R | 26 | Very low | 28.3 | Very low | 185 Ų | 185 | 149.8 Ų | 149.8 | 70% | 0.698 | 76% | 0.759 | S | S | * | * | -168.9 | 159.7 | 109 | -142.8 | 173.5 | -169.5 | -134.2 | -3.5 | 113.1 | C694 | R302-C694 PolarHBondContact NH2-SG 2.64Å; R302-C694 VanDerWaalsContact NH2-SG 3.39Å | |||
| 303 | T | 24.9 | Very low | 27.9 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | trans | -85 | 146 | 178.6 | -30.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 304 | E | 22.7 | Very low | 27.5 | Very low | 156 Ų | 156 | 149.4 Ų | 149.4 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | 172.3 | 164.7 | 119.8 | -89.8 | -48 | 138.9 | 0 | 0 | 114.7 | |||||
| 305 | L | 27.6 | Very low | 27.4 | Very low | 148 Ų | 148 | 152.7 Ų | 152.7 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -68 | 169.6 | -177.2 | -81.1 | 150 | 0 | 0 | 0 | 114.9 | ||||
| 306 | P | 33.8 | Very low | 27.6 | Very low | 114 Ų | 114 | 155 Ų | 155 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | cis | -146.9 | -144.6 | 39.9 | 36.4 | -9.2 | 0 | 0 | 0 | 115.3 | ||||
| 307 | P | 34.8 | Very low | 27.9 | Very low | 119 Ų | 119 | 152 Ų | 152 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | -119 | -175.7 | -74 | 35.9 | -19.3 | 0 | 0 | 0 | 115.1 | |||||
| 308 | Q | 26 | Very low | 28.4 | Very low | 176 Ų | 176 | 148.5 Ų | 148.5 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -87.5 | -162.7 | 171.4 | -34.8 | 176.8 | -5 | 0 | 0 | 112.3 | ||||
| 309 | P | 45.1 | Very low | 28.9 | Very low | 117 Ų | 117 | 151.4 Ų | 151.4 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | cis | -127.3 | 177 | -33.1 | 27 | -6.8 | 0 | 0 | 0 | 112.8 | ||||
| 310 | A | 25.3 | Very low | 29.2 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | -142.2 | 138 | 165 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 311 | L | 24.8 | Very low | 28.9 | Very low | 142 Ų | 142 | 148 Ų | 148 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | -72.9 | 148.5 | -172.7 | -65.9 | 162.7 | 0 | 0 | 0 | 115.6 | ||||
| 312 | R | 27.3 | Very low | 29.1 | Very low | 201 Ų | 201 | 143.2 Ų | 143.2 | 76% | 0.758 | 73% | 0.731 | S | S | * | * | trans | 65 | 161.9 | 131.7 | -68.6 | 176.3 | 176.6 | -180 | -1.6 | 118 | ||||
| 313 | Q | 26.4 | Very low | 29.6 | Very low | 144 Ų | 144 | 142 Ų | 142 | 67% | 0.673 | 73% | 0.733 | S | S | * | * | cis | -154.3 | 165.2 | 3.8 | -141.1 | 154.2 | -20 | 0 | 0 | 112.9 | ||||
| 314 | Q | 25 | Very low | 29.9 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | trans | 92.8 | 146.4 | 156.2 | -68.3 | -177.2 | -101.2 | 0 | 0 | 118.8 | ||||
| 315 | L | 25.7 | Very low | 30.4 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | cis | -172.2 | 150.8 | -39.2 | -130.2 | 163.1 | 0 | 0 | 0 | 106.6 | ||||
| 316 | D | 27.7 | Very low | 30.8 | Very low | 131 Ų | 131 | 138 Ų | 138 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | -79 | 167.2 | 178.8 | -41.9 | -93.9 | 0 | 0 | 0 | 112.7 | ||||
| 317 | E | 28.3 | Very low | 31.2 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 71% | 0.71 | 73% | 0.734 | S | S | * | * | trans | -162.9 | 129.5 | 132.5 | -75.2 | -151.8 | 152.1 | 0 | 0 | 106.1 | Y319 | E317-Y319 HydrophobicContact CG-CE2 4.34Å; E317-Y319 PolarHBondContact OE1-OH 3.26Å | ||
| 318 | D | 32.8 | Very low | 31.6 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 65% | 0.652 | 73% | 0.728 | S | S | * | * | cis | 82.5 | 161.5 | 48.1 | -65.4 | -46.7 | 0 | 0 | 0 | 113 | ||||
| 319 | Y | 33.6 | Very low | 31.8 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 61% | 0.612 | 74% | 0.735 | S | S | * | * | cis | -128.1 | -170.9 | 3.9 | -70.5 | -85.8 | 0 | 0 | 0 | 109.5 | E317 | E317-Y319 HydrophobicContact CG-CE2 4.34Å; E317-Y319 PolarHBondContact OE1-OH 3.26Å | ||
| 320 | S | 30.8 | Very low | 31 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | cis | -170.1 | 172 | 24.2 | 59.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 321 | Y | 32.7 | Very low | 31.3 | Very low | 190 Ų | 190 | 143.4 Ų | 143.4 | 75% | 0.745 | 74% | 0.736 | S | S | * | * | cis | -161.7 | -173 | -9.8 | -116.3 | -25 | 0 | 0 | 0 | 106.5 | ||||
| 322 | D | 29.7 | Very low | 33.1 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | cis | -149.3 | 173.5 | 9.3 | -140.2 | -40.4 | 0 | 0 | 0 | 111.3 | ||||
| 323 | H | 35.4 | Very low | 33.2 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | -100.8 | 179.7 | -176.3 | -101.1 | -112.2 | 0 | 0 | 0 | 113 | ||||
| 324 | D | 32.3 | Very low | 33.2 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | cis | -151 | -166.7 | 12.6 | -152.6 | 27.8 | 0 | 0 | 0 | 109.2 | ||||
| 325 | S | 32.3 | Very low | 34.4 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 55% | 0.552 | 74% | 0.737 | S | S | * | * | cis | -164.4 | 171.4 | 9.3 | 73.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 326 | S | 37.5 | Very low | 34.6 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | 74.9 | 138.3 | 140.9 | -56.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 327 | N | 40.8 | Very low | 34.6 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | trans | -153.5 | 137.9 | 168.4 | -171.1 | 33.4 | 0 | 0 | 0 | 110.2 | ||||
| 328 | P | 44.9 | Very low | 34.6 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | trans | -132.3 | 123.9 | -171.6 | 36 | -17.3 | 0 | 0 | 0 | 118.3 | ||||
| 329 | F | 28.7 | Very low | 34.5 | Very low | 219 Ų | 219 | 132.2 Ų | 132.2 | 96% | 0.961 | 77% | 0.765 | S | S | * | * | trans | 61.1 | 155.7 | 164.2 | -66 | -95 | 0 | 0 | 0 | 118.2 | ||||
| 330 | G | 29.4 | Very low | 34.7 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | cis | -175.2 | 171 | -3.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 331 | E | 31.6 | Very low | 35.4 | Very low | 190 Ų | 190 | 130.4 Ų | 130.4 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -100.3 | -178.2 | -177.7 | -95.1 | -179.9 | 157.9 | 0 | 0 | 112.9 | ||||
| 332 | P | 61.7 | Low | 35.3 | Very low | 99 Ų | 99 | 124.7 Ų | 124.7 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | cis | -139.7 | -157.3 | -24.4 | 33.2 | -8.8 | 0 | 0 | 0 | 114.7 | ||||
| 333 | D | 29.6 | Very low | 35.9 | Very low | 160 Ų | 160 | 126.4 Ų | 126.4 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | 83.5 | 159.6 | 152.4 | -63.1 | -23.7 | 0 | 0 | 0 | 124 | ||||
| 334 | G | 27.3 | Very low | 36 | Very low | 70 Ų | 70 | 124 Ų | 124 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -133.1 | -149.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 335 | P | 50.1 | Low | 35.9 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | cis | -138.1 | -168.4 | -3.8 | 41.8 | -21.5 | 0 | 0 | 0 | 115.9 | ||||
| 336 | E | 29.2 | Very low | 35.9 | Very low | 171 Ų | 171 | 128.9 Ų | 128.9 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | 74.7 | 146.5 | 148.1 | -106.9 | -179.7 | -128.1 | 0 | 0 | 125.7 | ||||
| 337 | T | 28.1 | Very low | 36 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | trans | 70.7 | 159.1 | 165.5 | 66.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 338 | G | 29.2 | Very low | 36.3 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 179.1 | -178.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 339 | S | 28.8 | Very low | 35.8 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -165 | 154 | 169.1 | -170.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 340 | A | 38.2 | Very low | 35.8 | Very low | 84 Ų | 84 | 130 Ų | 130 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | trans | -86.2 | 161 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 341 | P | 45.5 | Very low | 35.7 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | -140 | -170.4 | 81.2 | 38.9 | -21.7 | 0 | 0 | 0 | 111.9 | |||||
| 342 | G | 30.4 | Very low | 36.6 | Very low | 70 Ų | 70 | 129.5 Ų | 129.5 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | cis | 164.2 | 147.7 | -5.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 343 | N | 43 | Very low | 34.8 | Very low | 166 Ų | 166 | 133 Ų | 133 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -80.8 | 154.5 | -170 | -121.8 | 23.4 | 0 | 0 | 0 | 114.4 | ||||
| 344 | P | 37.9 | Very low | 34.7 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | trans | -132.5 | 100.6 | 160.8 | 35.7 | -18.7 | 0 | 0 | 0 | 114.9 | ||||
| 345 | F | 30 | Very low | 35 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | 57 | 154.5 | 136.7 | -80.9 | -119.8 | 0 | 0 | 0 | 121.4 | ||||
| 346 | D | 32.4 | Very low | 35 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | cis | -171.3 | 174.5 | -31.1 | -108.7 | 11.2 | 0 | 0 | 0 | 108.5 | ||||
| 347 | E | 39.6 | Very low | 35.2 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -76.5 | 161.1 | 178.9 | -138 | 160.6 | -134.7 | 0 | 0 | 113.1 | ||||
| 348 | P | 46.2 | Very low | 36.5 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | -155.7 | 171.5 | 92.1 | 40.8 | -21.8 | 0 | 0 | 0 | 117.8 | |||||
| 349 | D | 34.9 | Very low | 36.4 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | -74.3 | 156.5 | 174.5 | -68.1 | -61.5 | 0 | 0 | 0 | 116.5 | ||||
| 350 | Q | 28 | Very low | 37.8 | Very low | 195 Ų | 195 | 139.9 Ų | 139.9 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -174 | 133.9 | 134.9 | -107.7 | 147.9 | 108.2 | 0 | 0 | 115.6 | ||||
| 351 | D | 28.3 | Very low | 38.2 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | -86.8 | 175.3 | 150.8 | -112.3 | -36.5 | 0 | 0 | 0 | 108.8 | ||||
| 352 | P | 50.9 | Low | 37.3 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | cis | -144 | -161.5 | 17.6 | 44.6 | -23.9 | 0 | 0 | 0 | 116.6 | ||||
| 353 | E | 23.8 | Very low | 38.1 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 77.5 | 117.7 | 148.8 | -79 | -176.4 | 167.5 | 0 | 0 | 122.9 | ||||
| 354 | L | 27.6 | Very low | 37.5 | Very low | 175 Ų | 175 | 149.7 Ų | 149.7 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | -166.7 | 153.2 | 108.8 | -98.8 | 171.1 | 0 | 0 | 0 | 111.8 | |||||
| 355 | Q | 32 | Very low | 37.2 | Very low | 180 Ų | 180 | 152 Ų | 152 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -119.6 | -174.3 | -179.5 | -45.2 | -179.3 | -48.7 | 0 | 0 | 110.6 | ||||
| 356 | P | 50.9 | Low | 37.4 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | cis | -133.7 | -167 | -8.8 | 33.9 | -10.4 | 0 | 0 | 0 | 115.5 | ||||
| 357 | D | 32.6 | Very low | 37.3 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -64 | 176.7 | 176.2 | -138.4 | 31.1 | 0 | 0 | 0 | 114.1 | ||||
| 358 | P | 56 | Low | 36.9 | Very low | 104 Ų | 104 | 150.3 Ų | 150.3 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | cis | -149.1 | -179.4 | 22.8 | 44.7 | -22.7 | 0 | 0 | 0 | 122 | ||||
| 359 | E | 27.9 | Very low | 36.5 | Very low | 179 Ų | 179 | 150.9 Ų | 150.9 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | 97.7 | 152.8 | 152.6 | -71 | -136 | 149.5 | 0 | 0 | 121.9 | ||||
| 360 | P | 57.8 | Low | 36.6 | Very low | 105 Ų | 105 | 155.5 Ų | 155.5 | 68% | 0.682 | 80% | 0.796 | S | S | * | * | trans | -113.2 | -169.4 | -146 | 46.4 | -38.2 | 0 | 0 | 0 | 114.6 | ||||
| 361 | P | 46.4 | Very low | 37.8 | Very low | 123 Ų | 123 | 151.4 Ų | 151.4 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | cis | -139.2 | -162.9 | 13.2 | 43.5 | -21.3 | 0 | 0 | 0 | 118.2 | ||||
| 362 | R | 27.6 | Very low | 38 | Very low | 237 Ų | 237 | 150.6 Ų | 150.6 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | -96.2 | -168 | -165.3 | -22.6 | 171.7 | 177.3 | 164.3 | -3.6 | 113.9 | ||||
| 363 | P | 46 | Very low | 37.7 | Very low | 106 Ų | 106 | 151.1 Ų | 151.1 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | cis | -137.4 | 175.5 | -29.2 | 32.8 | -13.5 | 0 | 0 | 0 | 115.3 | ||||
| 364 | K | 30.7 | Very low | 38.1 | Very low | 196 Ų | 196 | 151 Ų | 151 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | 159.7 | 116.2 | 124.1 | -88.7 | 168 | -178.9 | 176.4 | 0 | 115.7 | |||||
| 365 | Q | 32.5 | Very low | 38.9 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | 174 | 148.3 | 128.5 | -103.2 | -164.5 | 30 | 0 | 0 | 115 | |||||
| 366 | K | 33.2 | Very low | 38.8 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 74% | 0.735 | 76% | 0.757 | S | S | * | * | trans | 72.5 | 153.5 | 148.8 | -76.7 | 170.5 | 174.1 | 143.1 | 0 | 122.2 | ||||
| 367 | K | 31 | Very low | 38.2 | Very low | 212 Ų | 212 | 143.3 Ų | 143.3 | 92% | 0.922 | 74% | 0.738 | S | S | * | * | trans | 67 | 157.7 | 170.3 | -60 | 172.3 | -177.4 | -179.2 | 0 | 115.7 | ||||
| 368 | G | 30.9 | Very low | 38.3 | Very low | 69 Ų | 69 | 141.6 Ų | 141.6 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | cis | 153.3 | 129 | -18.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 369 | V | 37.1 | Very low | 37.3 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | 76.6 | 108.3 | 152.3 | -177.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 370 | R | 37.9 | Very low | 37.5 | Very low | 231 Ų | 231 | 141.5 Ų | 141.5 | 87% | 0.872 | 72% | 0.723 | S | S | * | * | trans | 64.5 | 167.4 | 146 | -80.3 | 178.8 | 172.1 | 174.2 | -4.3 | 119.9 | ||||
| 371 | P | 52.6 | Low | 36.2 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | cis | -132 | -161.8 | -27.3 | 31.1 | -9.3 | 0 | 0 | 0 | 112.8 | ||||
| 372 | V | 31.6 | Very low | 35.3 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | trans | 122.8 | 137.3 | 149.7 | -178.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 373 | D | 45.5 | Very low | 35.6 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 61% | 0.61 | 72% | 0.72 | S | S | * | * | trans | -55.2 | 145 | 174.3 | 166.8 | 40.1 | 0 | 0 | 0 | 114.7 | S375 | D373-S375 PolarHBondContact OD1-N 3.18Š| ||
| 374 | M | 32.1 | Very low | 34.7 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 84% | 0.837 | 72% | 0.722 | S | S | * | * | trans | -142.3 | 105.1 | 152.1 | -77 | -81 | 64.2 | 0 | 0 | 110.7 | ||||
| 375 | S | 44.1 | Very low | 34.6 | Very low | 86 Ų | 86 | 136.5 Ų | 136.5 | 60% | 0.601 | 71% | 0.714 | S | S | * | * | trans | -85.3 | 167.9 | 144.3 | 59.3 | 0 | 0 | 0 | 0 | 110.2 | D373 | D373-S375 PolarHBondContact OD1-N 3.18Š| ||
| 376 | K | 30 | Very low | 34.4 | Very low | 126 Ų | 126 | 134 Ų | 134 | 55% | 0.548 | 71% | 0.706 | S | S | . | * | trans | 87.4 | 133.2 | 173.7 | -145.8 | -175.6 | -176.6 | -156 | 0 | 116.2 | ||||
| 377 | Y | 39.8 | Very low | 34.3 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 40% | 0.4 | 71% | 0.705 | S | S | . | * | trans | 75.8 | 142.1 | 169.9 | -49.4 | -54.7 | 0 | 0 | 0 | 119.1 | E656 Q657 | Y377-E656 WeakPolarHBondContact CE1-OE1 3.43Å; Y377-E656 PolarHBondContact OH-OE1 2.85Å; Y377-Q657 PolarHBondContact OH-O 3.44Å | ||
| 378 | L | 33.2 | Very low | 34.3 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 59% | 0.592 | 70% | 0.696 | S | S | * | * | cis | -158.6 | -177.4 | -39 | -123.4 | 180 | 0 | 0 | 0 | 108.7 | T655 | L378-T655 HydrophobicContact CD1-CG2 4.14Š| ||
| 379 | Y | 36.4 | Very low | 34.3 | Very low | 216 Ų | 216 | 134.1 Ų | 134.1 | 85% | 0.847 | 70% | 0.698 | S | S | * | * | trans | -83.4 | -177.4 | -173.1 | -91.2 | -100.6 | 0 | 0 | 0 | 115.3 | ||||
| 380 | A | 31.9 | Very low | 34.2 | Very low | 66 Ų | 66 | 135.1 Ų | 135.1 | 55% | 0.545 | 70% | 0.698 | S | S | . | * | trans | 91 | 136.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 381 | D | 30.2 | Very low | 33.8 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 68% | 0.684 | 69% | 0.694 | S | S | * | * | cis | -164.1 | -176.7 | -25.7 | -131.8 | -66.4 | 0 | 0 | 0 | 113.4 | ||||
| 382 | T | 27.9 | Very low | 32.7 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | trans | 74.4 | 147.4 | 172.3 | 74.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 383 | S | 33.5 | Very low | 32.7 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 85% | 0.846 | 69% | 0.686 | S | S | * | * | cis | -134 | 168.2 | 10 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 384 | H | 27.8 | Very low | 32.7 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 72% | 0.718 | 70% | 0.696 | S | S | * | * | trans | -93.4 | -171.9 | -160 | -164.4 | -92.3 | 0 | 0 | 0 | 115.2 | D386 | H384-D386 IonicContact CE1-OD1 3.3Å; H384-D386 PolarHBondContact CE1-OD1 3.21Å; H384-D386 VanDerWaalsContact CE1-OD1 3.3Å; H384-D386 IonicContact ND1-OD1 3.23Å; H384-D386 PolarHBondContact ND1-OD1 3.25Å | ||
| 385 | N | 28 | Very low | 32.8 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 68% | 0.684 | 69% | 0.691 | S | S | * | * | trans | 95.1 | 134.8 | 162.4 | -53.9 | 59.3 | 0 | 0 | 0 | 118.2 | ||||
| 386 | D | 28.9 | Very low | 32 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 56% | 0.561 | 71% | 0.705 | S | S | * | * | cis | -163.2 | 154.7 | -17.6 | -96.6 | -19.7 | 0 | 0 | 0 | 109.3 | H384 | H384-D386 IonicContact CE1-OD1 3.3Å; H384-D386 PolarHBondContact CE1-OD1 3.21Å; H384-D386 VanDerWaalsContact CE1-OD1 3.3Å; H384-D386 IonicContact ND1-OD1 3.23Å; H384-D386 PolarHBondContact ND1-OD1 3.25Å | ||
| 387 | E | 29.5 | Very low | 32 | Very low | 153 Ų | 153 | 140 Ų | 140 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | trans | 30.9 | 131 | 144.8 | -48.5 | -56.6 | 70.3 | 0 | 0 | 123.4 | ||||
| 388 | D | 32.4 | Very low | 31.5 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | 76 | 132.2 | 129.6 | -78.1 | -14.9 | 0 | 0 | 0 | 126.1 | |||||
| 389 | E | 30.6 | Very low | 31.2 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | trans | 65.3 | 141.5 | 137.2 | -74.5 | -146.8 | 130.4 | 0 | 0 | 124.7 | ||||
| 390 | L | 34.8 | Very low | 30.7 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 80% | 0.801 | 73% | 0.734 | S | S | * | * | trans | 74.3 | 124.1 | 157.9 | -68 | 164.8 | 0 | 0 | 0 | 120.2 | E392 | L390-E392 PolarHBondContact O-N 3.12Š| ||
| 391 | D | 29.9 | Very low | 30.5 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | -61.6 | 118.7 | 156.7 | 173.3 | 27.4 | 0 | 0 | 0 | 110 | ||||
| 392 | E | 29.2 | Very low | 30.2 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 174.3 | 159.6 | 132.1 | -93.8 | -165.1 | -176 | 0 | 0 | 109 | L390 | L390-E392 PolarHBondContact O-N 3.12Š| ||
| 393 | S | 32.3 | Very low | 29.9 | Very low | 78 Ų | 78 | 145.5 Ų | 145.5 | 55% | 0.545 | 75% | 0.749 | S | S | . | * | cis | -172 | -150.7 | -32.8 | 65.3 | 0 | 0 | 0 | 0 | 107 | P395 | S393-P395 WeakPolarHBondContact O-CD 3.49Š| ||
| 394 | N | 45.4 | Very low | 29.5 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | trans | -48.8 | 117.5 | 179.4 | -63.6 | -65.2 | 0 | 0 | 0 | 115.5 | ||||
| 395 | P | 34.4 | Very low | 29.5 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 75% | 0.747 | 74% | 0.735 | S | S | * | * | trans | -73.2 | 134.3 | 138.4 | 31.9 | -30.1 | 0 | 0 | 0 | 108.3 | S393 | S393-P395 WeakPolarHBondContact O-CD 3.49Š| ||
| 396 | F | 26.5 | Very low | 29.3 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 89% | 0.89 | 74% | 0.744 | S | S | * | * | cis | -148.4 | 166.5 | 17.1 | -154 | -112 | 0 | 0 | 0 | 112.6 | ||||
| 397 | Y | 29.9 | Very low | 29.2 | Very low | 205 Ų | 205 | 145.8 Ų | 145.8 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -65.2 | 173.4 | -160.7 | -134.2 | -111.5 | 0 | 0 | 0 | 118.1 | ||||
| 398 | E | 29.8 | Very low | 28.9 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 59% | 0.593 | 76% | 0.757 | S | S | * | * | trans | -46.7 | 148.3 | 169.8 | -74.1 | -166.2 | 152.8 | 0 | 0 | 113 | R400 | E398-R400 WeakPolarHBondContact OE2-CG 3.19Å; E398-R400 IonicContact OE2-NE 2.77Å; E398-R400 PolarHBondContact OE2-NE 2.97Å; E398-R400 VanDerWaalsContact OE2-NE 3.13Å | ||
| 399 | P | 27 | Very low | 28.6 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -111 | 114.4 | 134.8 | 32.7 | -28.9 | 0 | 0 | 0 | 110.7 | S401 | P399-S401 PolarHBondContact O-N 3.18Š| ||
| 400 | R | 25 | Very low | 28.3 | Very low | 205 Ų | 205 | 146.9 Ų | 146.9 | 77% | 0.774 | 75% | 0.75 | S | S | * | * | trans | -66.6 | 126.5 | 163.2 | -67.7 | -167 | 169.8 | -148 | -7.1 | 109.6 | E398 | E398-R400 WeakPolarHBondContact OE2-CG 3.19Å; E398-R400 IonicContact OE2-NE 2.77Å; E398-R400 PolarHBondContact OE2-NE 2.97Å; E398-R400 VanDerWaalsContact OE2-NE 3.13Å | ||
| 401 | S | 27.2 | Very low | 27.9 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | 20.4 | 115.2 | 150.6 | 160.3 | 0 | 0 | 0 | 0 | 117.1 | P399 | P399-S401 PolarHBondContact O-N 3.18Š| ||
| 402 | L | 25 | Very low | 27.6 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | trans | -165.4 | 132.5 | 130.7 | -105.6 | 172.7 | 0 | 0 | 0 | 113.4 | ||||
| 403 | L | 22 | Very low | 27.4 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | 24.8 | 135.3 | 148.4 | -103.4 | 76.2 | 0 | 0 | 0 | 123.9 | ||||
| 404 | S | 24.1 | Very low | 27.1 | Very low | 97 Ų | 97 | 148.4 Ų | 148.4 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | 75.6 | 152.9 | 130 | -145.9 | 0 | 0 | 0 | 0 | 118 | |||||
| 405 | T | 27.8 | Very low | 26.1 | Very low | 94 Ų | 94 | 145.5 Ų | 145.5 | 58% | 0.577 | 75% | 0.75 | S | S | * | * | cis | -143.5 | 155.7 | 2.8 | -26.5 | 0 | 0 | 0 | 0 | 107.4 | N407 | T405-N407 WeakPolarHBondContact CG2-OD1 3.4Š| ||
| 406 | Q | 24.4 | Very low | 25.7 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | -156 | 95.1 | 86.3 | -162.1 | 165.3 | 16.8 | 0 | 0 | 113.7 | |||||
| 407 | N | 26.6 | Very low | 25.4 | Very low | 135 Ų | 135 | 145.9 Ų | 145.9 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | 18.8 | 118.6 | 150.7 | -63.4 | -21.2 | 0 | 0 | 0 | 120.6 | T405 | T405-N407 WeakPolarHBondContact CG2-OD1 3.4Š| ||
| 408 | K | 23.9 | Very low | 25.3 | Very low | 189 Ų | 189 | 143 Ų | 143 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | -158 | 115.8 | 112.2 | -119.8 | 176.1 | 177.2 | 175.8 | 0 | 113.7 | |||||
| 409 | I | 25.8 | Very low | 26.2 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | 51.7 | 117.6 | 128.6 | -64 | -178.4 | 0 | 0 | 0 | 115.7 | |||||
| 410 | K | 24.6 | Very low | 26 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 65% | 0.648 | 74% | 0.744 | S | S | * | * | cis | -167.1 | 173.8 | 37.7 | -134.6 | 165.8 | -167.6 | -62.7 | 0 | 114 | ||||
| 411 | E | 24.5 | Very low | 26.3 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | trans | -12.9 | 157.3 | 149.7 | -63.5 | 139.5 | -141.2 | 0 | 0 | 118.5 | ||||
| 412 | E | 25 | Very low | 26.4 | Very low | 159 Ų | 159 | 140 Ų | 140 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | cis | -168.6 | 167.4 | 16.4 | -134.7 | 174.9 | -168.7 | 0 | 0 | 115.4 | ||||
| 413 | T | 25.4 | Very low | 26.9 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | trans | 73.6 | 176.1 | 155.7 | 63.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 414 | N | 25.2 | Very low | 27.5 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 87% | 0.866 | 72% | 0.724 | S | S | * | * | trans | -128.9 | 171.5 | -157.7 | -74.4 | -70.1 | 0 | 0 | 0 | 114.2 | ||||
| 415 | A | 24.3 | Very low | 28 | Very low | 89 Ų | 89 | 139.9 Ų | 139.9 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | trans | 106.3 | 124.4 | 136.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 416 | I | 25.5 | Very low | 28.2 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | trans | 18.1 | 137.7 | 135.2 | -26.6 | 179.5 | 0 | 0 | 0 | 120.7 | ||||
| 417 | H | 21.3 | Very low | 28.7 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | trans | 107.1 | 145.8 | 138.2 | -136.1 | -89.5 | 0 | 0 | 0 | 120.2 | ||||
| 418 | L | 26 | Very low | 29.2 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | -83.8 | -176.4 | 167.8 | -61.4 | 90.5 | 0 | 0 | 0 | 110 | ||||
| 419 | P | 49.5 | Very low | 29.6 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 65% | 0.649 | 74% | 0.737 | S | S | * | * | cis | -145.5 | -161.7 | 7.2 | 44.1 | -22.5 | 0 | 0 | 0 | 116.7 | ||||
| 420 | N | 23.6 | Very low | 29.8 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | trans | 83.4 | 155 | 153.7 | -74.7 | 9.9 | 0 | 0 | 0 | 121.2 | ||||
| 421 | I | 31.8 | Very low | 30.2 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | cis | 164.3 | 171.3 | -33.8 | -99.7 | 173.1 | 0 | 0 | 0 | 109.2 | ||||
| 422 | E | 28.5 | Very low | 31.3 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 58% | 0.579 | 75% | 0.746 | S | S | * | * | trans | 90.5 | 153.4 | -178.8 | -74.1 | -80.1 | 77.3 | 0 | 0 | 114.7 | K424 | E422-K424 IonicContact OE1-NZ 3.46Å; E422-K424 PolarHBondContact OE1-NZ 3.46Å; E422-K424 IonicContact OE2-NZ 2.65Å; E422-K424 PolarHBondContact OE2-NZ 2.87Å | ||
| 423 | I | 35.3 | Very low | 31.4 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | cis | -120.8 | -132.2 | 9.6 | -163.5 | 150.7 | 0 | 0 | 0 | 114.6 | ||||
| 424 | K | 33.6 | Very low | 31.6 | Very low | 144 Ų | 144 | 131 Ų | 131 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | trans | -144.3 | 158.4 | -156.1 | -66.8 | -179.9 | 177.2 | 63.8 | 0 | 110.6 | E422 | E422-K424 IonicContact OE1-NZ 3.46Å; E422-K424 PolarHBondContact OE1-NZ 3.46Å; E422-K424 IonicContact OE2-NZ 2.65Å; E422-K424 PolarHBondContact OE2-NZ 2.87Å | ||
| 425 | S | 35.2 | Very low | 32.6 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | cis | -156.3 | -148.4 | -5.6 | 39.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 426 | R | 32.5 | Very low | 32.7 | Very low | 235 Ų | 235 | 129.6 Ų | 129.6 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | cis | -172.7 | 155.2 | 12.9 | -160.4 | 173 | 176.4 | 176.4 | -1.2 | 107.6 | ||||
| 427 | G | 35.4 | Very low | 32.9 | Very low | 68 Ų | 68 | 127.6 Ų | 127.6 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | cis | -122.7 | -91.3 | -15.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 428 | S | 36.4 | Very low | 33.2 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | cis | 167.8 | 147.9 | -35.5 | -102.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 429 | T | 32 | Very low | 33.2 | Very low | 139 Ų | 139 | 122 Ų | 122 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | cis | -178.7 | 144.9 | -32.4 | 13.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 430 | G | 30.8 | Very low | 32.2 | Very low | 62 Ų | 62 | 125.3 Ų | 125.3 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | cis | 162.8 | 179.5 | -3.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 431 | S | 31.4 | Very low | 32.4 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | 75.2 | 154.2 | 167.9 | 77.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 432 | P | 47.6 | Very low | 31.9 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | -142.7 | 169.1 | -38 | 36.7 | -18.6 | 0 | 0 | 0 | 118.2 | ||||
| 433 | T | 28 | Very low | 31.7 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | trans | 68.4 | 147.4 | 161 | 23.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 434 | L | 28.7 | Very low | 31.3 | Very low | 162 Ų | 162 | 126.7 Ų | 126.7 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | cis | 79.7 | 154.9 | 2.2 | -49.2 | 178.6 | 0 | 0 | 0 | 118.4 | ||||
| 435 | P | 47.3 | Very low | 31 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | cis | -143.4 | 176.2 | 5.5 | 45.1 | -26.6 | 0 | 0 | 0 | 120 | ||||
| 436 | S | 26.5 | Very low | 30.6 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 61.5 | 162.4 | 141.9 | -73.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 437 | S | 29.5 | Very low | 30.2 | Very low | 115 Ų | 115 | 119.7 Ų | 119.7 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | cis | -172.8 | -162.3 | -20.8 | 56.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 438 | A | 28.3 | Very low | 29.8 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | -156.4 | 165.7 | -91 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 439 | S | 26 | Very low | 29.4 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | 81.3 | 124.8 | 156.7 | -58 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 440 | L | 28.1 | Very low | 29.1 | Very low | 169 Ų | 169 | 123.6 Ų | 123.6 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | trans | 59.8 | 156 | 137.9 | -63.2 | 173.1 | 0 | 0 | 0 | 124.6 | ||||
| 441 | I | 26.6 | Very low | 29 | Very low | 158 Ų | 158 | 126.1 Ų | 126.1 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | 99.3 | 107.6 | 159.9 | -54.4 | -176.5 | 0 | 0 | 0 | 119.8 | ||||
| 442 | S | 22.5 | Very low | 28.9 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | trans | 45.2 | 137.1 | 131.4 | -154.7 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 443 | T | 23.1 | Very low | 28.3 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 69% | 0.693 | 75% | 0.748 | S | S | * | * | trans | 78.7 | 135 | 140 | 30.7 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 444 | Y | 27.3 | Very low | 28.5 | Very low | 213 Ų | 213 | 126.8 Ų | 126.8 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | trans | 68.5 | 124.4 | 149.1 | -74.5 | -64.2 | 0 | 0 | 0 | 124.1 | ||||
| 445 | S | 27.9 | Very low | 28.7 | Very low | 95 Ų | 95 | 126.4 Ų | 126.4 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | trans | 56.3 | 131 | 136.2 | -91 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 446 | D | 26.3 | Very low | 28 | Very low | 140 Ų | 140 | 126.8 Ų | 126.8 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | 65.8 | 104.1 | 132.4 | -63.2 | -59.1 | 0 | 0 | 0 | 123.9 | ||||
| 447 | C | 25.2 | Very low | 28.1 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | 54.9 | 148 | 111.4 | -138.5 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 448 | M | 26.9 | Very low | 28 | Very low | 161 Ų | 161 | 129 Ų | 129 | 79% | 0.793 | 73% | 0.726 | S | S | * | * | trans | 70.3 | 155.5 | 166 | -65.9 | -72.8 | 120.6 | 0 | 0 | 118 | ||||
| 449 | S | 26.8 | Very low | 27.9 | Very low | 79 Ų | 79 | 132.4 Ų | 132.4 | 55% | 0.552 | 72% | 0.724 | S | S | * | * | cis | 179.3 | 153.6 | -37.1 | -106.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 450 | L | 26.4 | Very low | 27.9 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | 63.1 | 172.5 | 158.2 | -63.3 | 165.9 | 0 | 0 | 0 | 116.2 | ||||
| 451 | T | 28.6 | Very low | 28.1 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 71% | 0.712 | 71% | 0.709 | S | S | * | * | cis | -157.4 | 159.6 | -6.6 | 6.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 452 | L | 30.3 | Very low | 28.7 | Very low | 151 Ų | 151 | 127.9 Ų | 127.9 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | cis | -143.6 | -141.4 | -5.6 | -127.7 | 169.4 | 0 | 0 | 0 | 105.3 | ||||
| 453 | L | 33.8 | Very low | 29.1 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 62% | 0.618 | 71% | 0.713 | S | S | * | * | cis | -139.4 | -149.2 | -3.2 | -130.1 | 175.5 | 0 | 0 | 0 | 104.9 | H455 | L453-H455 HydrophobicContact CD2-CB 4.32Š| ||
| 454 | S | 31.7 | Very low | 29.8 | Very low | 97 Ų | 97 | 130 Ų | 130 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | cis | -160.5 | 132 | -8.7 | 31.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 455 | H | 33.5 | Very low | 30 | Very low | 154 Ų | 154 | 125 Ų | 125 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | 87.1 | 134.6 | 58.8 | -75.1 | 19.6 | 0 | 0 | 0 | 113.6 | L453 | L453-H455 HydrophobicContact CD2-CB 4.32Š| |||
| 456 | T | 32.3 | Very low | 30.2 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | cis | -162.1 | 154.3 | 8.2 | 11.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 457 | H | 30 | Very low | 30.5 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | cis | -160.9 | -148.7 | -0.1 | -169.2 | -139.7 | 0 | 0 | 0 | 108.8 | ||||
| 458 | L | 26.5 | Very low | 30.9 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 64% | 0.639 | 72% | 0.723 | S | S | * | * | trans | 77.8 | 155.7 | 165.4 | -41.3 | -175.4 | 0 | 0 | 0 | 114.4 | ||||
| 459 | F | 26.4 | Very low | 30.8 | Very low | 158 Ų | 158 | 121.6 Ų | 121.6 | 69% | 0.693 | 72% | 0.718 | S | S | * | * | cis | -173.1 | 148.1 | -20.8 | -103 | -6.1 | 0 | 0 | 0 | 106.2 | ||||
| 460 | L | 25.7 | Very low | 31.8 | Very low | 128 Ų | 128 | 123.8 Ų | 123.8 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | cis | -143.6 | 148.5 | -12.3 | -87.4 | 164.2 | 0 | 0 | 0 | 105.6 | ||||
| 461 | S | 32.9 | Very low | 31.9 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | 46.8 | 140.3 | 83.1 | 114.6 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 462 | P | 38.8 | Very low | 32.1 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | cis | -122.8 | 167.7 | 14.7 | 40.9 | -28.4 | 0 | 0 | 0 | 116 | ||||
| 463 | T | 31.1 | Very low | 32.3 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | trans | -115.9 | 172.3 | 164.9 | 55 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 464 | P | 37.7 | Very low | 32.3 | Very low | 126 Ų | 126 | 120 Ų | 120 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | -141.1 | 166.4 | 99.8 | 38.5 | -25.8 | 0 | 0 | 0 | 114.6 | |||||
| 465 | S | 31.2 | Very low | 33.1 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -88.9 | 174 | 176.6 | -48.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 466 | P | 33.3 | Very low | 33.7 | Very low | 126 Ų | 126 | 120.5 Ų | 120.5 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | -136.3 | 165.6 | 83.5 | 39.8 | -29.2 | 0 | 0 | 0 | 114.6 | |||||
| 467 | A | 32.6 | Very low | 35 | Very low | 84 Ų | 84 | 116.7 Ų | 116.7 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | trans | -86.9 | 152.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 468 | P | 32.7 | Very low | 36.9 | Very low | 117 Ų | 117 | 110.2 Ų | 110.2 | 76% | 0.76 | 69% | 0.693 | S | S | * | * | -106.9 | 125.6 | 112.9 | 30.2 | -33.2 | 0 | 0 | 0 | 109.3 | |||||
| 469 | S | 25.7 | Very low | 39.1 | Very low | 100 Ų | 100 | 105.3 Ų | 105.3 | 70% | 0.699 | 67% | 0.669 | S | S | * | * | 68.7 | 126.2 | 78.7 | -63 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 470 | P | 46.7 | Very low | 41.7 | Very low | 125 Ų | 125 | 103.2 Ų | 103.2 | 81% | 0.812 | 66% | 0.662 | S | S | * | * | trans | -72.9 | 132.9 | -171.1 | 29.8 | -35.2 | 0 | 0 | 0 | 112.2 | L472 | P470-L472 PolarHBondContact O-N 3.1Š| ||
| 471 | V | 29.6 | Very low | 44.5 | Very low | 147 Ų | 147 | 98.6 Ų | 98.6 | 89% | 0.891 | 64% | 0.64 | S | S | * | * | trans | -83.1 | 111.3 | 169.2 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 472 | L | 32.7 | Very low | 47 | Very low | 160 Ų | 160 | 94 Ų | 94 | 84% | 0.838 | 61% | 0.608 | S | S | * | * | trans | -63.6 | 157.3 | 173.3 | -73.1 | 155.6 | 0 | 0 | 0 | 112.6 | P470 | P470-L472 PolarHBondContact O-N 3.1Š| ||
| 473 | G | 34 | Very low | 49.4 | Very low | 77 Ų | 77 | 89.2 Ų | 89.2 | 79% | 0.794 | 58% | 0.576 | S | S | * | * | trans | 96.9 | -8.1 | 141 | 0 | 0 | 0 | 0 | 0 | 118.8 | K475 | G473-K475 PolarHBondContact O-N 2.76Š| ||
| 474 | G | 34.3 | Very low | 52 | Low | 77 Ų | 77 | 85.8 Ų | 85.8 | 79% | 0.794 | 56% | 0.56 | S | S | * | * | trans | -75.1 | 78 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 475 | K | 47.4 | Very low | 54.6 | Low | 184 Ų | 184 | 81.7 Ų | 81.7 | 80% | 0.8 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 129.7 | 169.8 | -73 | -175 | 179.6 | 179.6 | 0 | 108.7 | G473 N477 | G473-K475 PolarHBondContact O-N 2.76Å; K475-N477 PolarHBondContact O-N 2.89Å |
| 476 | P | 46.3 | Very low | 57.4 | Low | 78 Ų | 78 | 76.6 Ų | 76.6 | 51% | 0.506 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 137.2 | -179.9 | 23.2 | -33.5 | 0 | 0 | 0 | 110.1 | K1124 | P476-K1124 PolarHBondContact O-NZ 3.27Š|
| 477 | N | 60 | Low | 60.2 | Low | 36 Ų | 36 | 76 Ų | 76 | 19% | 0.193 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 159.3 | -177.5 | 70.6 | 22.9 | 0 | 0 | 0 | 110.9 | K475 S479 Q480 S481 | K475-N477 PolarHBondContact O-N 2.89Å; N477-S479 VanDerWaalsContact C-N 3.32Å; N477-S479 PolarHBondContact O-N 2.89Å; N477-S479 PolarHBondContact OD1-OG 2.78Å; N477-Q480 PolarHBondContact ND2-NE2 2.9Å; N477-Q480 PolarHBondContact O-N 2.9Å; N477-Q480 WeakPolarHBondContact OD1-CB 3.42Å; N477-Q480 WeakPolarHBondContact OD1-CG 3.31Å; N477-Q480 PolarHBondContact OD1-N 2.9Å; N477-S481 WeakPolarHBondContact O-CB 3.32Å; N477-S481 PolarHBondContact O-N 2.89Å |
| 478 | A | 69.2 | Low | 62.9 | Low | 18 Ų | 18 | 77.5 Ų | 77.5 | 15% | 0.149 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | -165.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S481 L482 Y574 K1124 | A478-S481 WeakPolarHBondContact O-CB 3.32Å; A478-S481 PolarHBondContact O-N 3.36Å; A478-L482 WeakPolarHBondContact O-CB 3.49Å; A478-L482 PolarHBondContact O-N 2.93Å; A478-Y574 WeakPolarHBondContact CB-OH 3.42Å; A478-Y574 PolarHBondContact O-OH 3.01Å; A478-K1124 HydrophobicContact CB-CD 4.41Å |
| 479 | S | 73.4 | Confident | 65.6 | Low | 20 Ų | 20 | 72.4 Ų | 72.4 | 14% | 0.14 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 175.8 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | N477 L482 L483 F501 Y574 | N477-S479 VanDerWaalsContact C-N 3.32Å; N477-S479 PolarHBondContact O-N 2.89Å; N477-S479 PolarHBondContact OD1-OG 2.78Å; S479-L482 PolarHBondContact O-N 2.98Å; S479-L483 VanDerWaalsContact O-CB 3.32Å; S479-L483 WeakPolarHBondContact O-CB 3.14Å; S479-L483 PolarHBondContact O-N 3.25Å; S479-F501 VanDerWaalsContact O-CE2 3.24Å; S479-F501 WeakPolarHBondContact O-CE2 3.47Å; S479-F501 VanDerWaalsContact O-CZ 3.22Å; S479-F501 WeakPolarHBondContact O-CZ 3.16Å; S479-Y574 PolarHBondContact N-OH 2.96Å |
| 480 | Q | 79.8 | Confident | 68.7 | Low | 114 Ų | 114 | 68 Ų | 68 | 53% | 0.533 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.5 | -32.4 | 173.5 | -69.9 | 167.9 | 10.6 | 0 | 0 | 112.7 | N477 L483 A484 | N477-Q480 PolarHBondContact ND2-NE2 2.9Å; N477-Q480 PolarHBondContact O-N 2.9Å; N477-Q480 WeakPolarHBondContact OD1-CB 3.42Å; N477-Q480 WeakPolarHBondContact OD1-CG 3.31Å; N477-Q480 PolarHBondContact OD1-N 2.9Å; Q480-L483 PolarHBondContact O-N 3.45Å; Q480-A484 VanDerWaalsContact O-CB 3.24Å; Q480-A484 WeakPolarHBondContact O-CB 3.39Å; Q480-A484 PolarHBondContact O-N 2.73Å |
| 481 | S | 84.9 | Confident | 70.5 | Confident | 30 Ų | 30 | 68.2 Ų | 68.2 | 21% | 0.21 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 172.5 | 177.8 | 0 | 0 | 0 | 0 | 111 | N477 A478 A484 W485 R577 | N477-S481 WeakPolarHBondContact O-CB 3.32Å; N477-S481 PolarHBondContact O-N 2.89Å; A478-S481 WeakPolarHBondContact O-CB 3.32Å; A478-S481 PolarHBondContact O-N 3.36Å; S481-A484 PolarHBondContact O-N 3.12Å; S481-W485 WeakPolarHBondContact O-CB 3.26Å; S481-W485 PolarHBondContact O-N 3.44Å; S481-R577 PolarHBondContact OG-NH1 2.99Å |
| 482 | L | 86.2 | Confident | 73.1 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 172.7 | -177 | 65.8 | 0 | 0 | 0 | 111.3 | A478 S479 A484 W485 C486 F501 M570 L573 Y574 R577 | A478-L482 WeakPolarHBondContact O-CB 3.49Å; A478-L482 PolarHBondContact O-N 2.93Å; S479-L482 PolarHBondContact O-N 2.98Å; L482-A484 VanDerWaalsContact C-N 3.35Å; L482-A484 PolarHBondContact O-N 2.8Å; L482-W485 HydrophobicContact CD1-CE3 4.16Å; L482-W485 PolarHBondContact O-N 3.16Å; L482-C486 WeakPolarHBondContact O-CB 3.16Å; L482-C486 PolarHBondContact O-N 3.41Å; L482-C486 PolarHBondContact O-SG 3.01Å; L482-F501 HydrophobicContact CB-CZ 3.99Å; L482-F501 HydrophobicContact CD2-CE1 3.78Å; L482-F501 HydrophobicContact CD2-CZ 3.89Å; L482-F501 HydrophobicContact CG-CE1 3.93Å; L482-F501 HydrophobicContact CG-CZ 3.92Å; L482-M570 HydrophobicContact CD2-CB 4.47Å; L482-L573 HydrophobicContact CD1-CB 4.22Å; L482-L573 HydrophobicContact CD2-CB 3.9Å; L482-L573 HydrophobicContact CG-CB 4.35Å; L482-Y574 HydrophobicContact CB-CE1 3.99Å; L482-Y574 HydrophobicContact CD1-CD1 4.09Å; L482-Y574 HydrophobicContact CD1-CE1 4.36Å; L482-Y574 HydrophobicContact CD2-CD1 3.9Å; L482-Y574 HydrophobicContact CD2-CD2 3.96Å; L482-Y574 HydrophobicContact CD2-CE1 3.85Å; L482-Y574 HydrophobicContact CD2-CE2 3.93Å; L482-Y574 HydrophobicContact CD2-CG 3.95Å; L482-Y574 HydrophobicContact CG-CD1 4.41Å; L482-Y574 HydrophobicContact CG-CE1 4.29Å; L482-R577 HydrophobicContact CD1-CB 4.02Å |
| 483 | L | 88.5 | Confident | 75.7 | Confident | 20 Ų | 20 | 63 Ų | 63 | 11% | 0.105 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 178.9 | -162.6 | 76.5 | 0 | 0 | 0 | 111.8 | S479 Q480 R487 I498 F501 | S479-L483 VanDerWaalsContact O-CB 3.32Å; S479-L483 WeakPolarHBondContact O-CB 3.14Å; S479-L483 PolarHBondContact O-N 3.25Å; Q480-L483 PolarHBondContact O-N 3.45Å; L483-R487 WeakPolarHBondContact O-CB 3.28Å; L483-R487 WeakPolarHBondContact O-CD 3.36Å; L483-R487 WeakPolarHBondContact O-CG 3.3Å; L483-R487 PolarHBondContact O-N 3.07Å; L483-I498 HydrophobicContact CD1-CG2 3.69Å; L483-I498 HydrophobicContact CG-CG2 4.45Å; L483-F501 HydrophobicContact CB-CE2 3.93Å; L483-F501 HydrophobicContact CB-CZ 3.68Å; L483-F501 HydrophobicContact CD1-CD1 4.32Å; L483-F501 HydrophobicContact CD1-CD2 4.14Å; L483-F501 HydrophobicContact CD1-CE1 3.99Å; L483-F501 HydrophobicContact CD1-CE2 3.78Å; L483-F501 HydrophobicContact CD1-CG 4.4Å; L483-F501 HydrophobicContact CD1-CZ 3.71Å; L483-F501 HydrophobicContact CG-CE2 4.39Å; L483-F501 HydrophobicContact CG-CZ 4.32Å |
| 484 | A | 86.9 | Confident | 78.1 | Confident | 54 Ų | 54 | 70.1 Ų | 70.1 | 45% | 0.446 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.4 | -43.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q480 S481 L482 R487 E488 | Q480-A484 VanDerWaalsContact O-CB 3.24Å; Q480-A484 WeakPolarHBondContact O-CB 3.39Å; Q480-A484 PolarHBondContact O-N 2.73Å; S481-A484 PolarHBondContact O-N 3.12Å; L482-A484 VanDerWaalsContact C-N 3.35Å; L482-A484 PolarHBondContact O-N 2.8Å; A484-R487 WeakPolarHBondContact O-CB 3.16Å; A484-R487 PolarHBondContact O-N 2.99Å; A484-E488 PolarHBondContact O-N 3.44Å |
| 485 | W | 90.3 | Very high | 80.3 | Confident | 41 Ų | 41 | 68.9 Ų | 68.9 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.6 | -50.5 | 172.7 | 176.4 | 91.2 | 0 | 0 | 0 | 111.3 | S481 L482 R487 E488 V489 I514 F518 I576 R577 S581 | S481-W485 WeakPolarHBondContact O-CB 3.26Å; S481-W485 PolarHBondContact O-N 3.44Å; L482-W485 HydrophobicContact CD1-CE3 4.16Å; L482-W485 PolarHBondContact O-N 3.16Å; W485-R487 VanDerWaalsContact C-N 3.28Å; W485-R487 PolarHBondContact O-N 3.42Å; W485-E488 PolarHBondContact O-N 3.48Å; W485-E488 VanDerWaalsContact O-N 3.12Å; W485-V489 HydrophobicContact CD2-CG2 4.12Å; W485-V489 HydrophobicContact CG-CG2 4.49Å; W485-V489 HydrophobicContact CZ2-CG2 4.03Å; W485-V489 WeakPolarHBondContact O-CG2 3.49Å; W485-V489 PolarHBondContact O-N 2.96Å; W485-I514 HydrophobicContact CH2-CG2 4.13Å; W485-I514 HydrophobicContact CZ3-CD1 4.05Å; W485-F518 HydrophobicContact CH2-CE2 4.16Å; W485-F518 AromaticContact CZ2-CE2 3.8Å; W485-F518 HydrophobicContact CZ2-CE2 3.8Å; W485-F518 AromaticContact CZ2-CZ 3.87Å; W485-F518 HydrophobicContact CZ2-CZ 3.87Å; W485-I576 HydrophobicContact CH2-CG2 4.24Å; W485-R577 HydrophobicContact CD2-CB 4.2Å; W485-R577 HydrophobicContact CD2-CG 3.86Å; W485-R577 HydrophobicContact CE3-CB 4.03Å; W485-R577 HydrophobicContact CE3-CG 4.19Å; W485-R577 HydrophobicContact CG-CG 4.31Å; W485-R577 HydrophobicContact CH2-CB 3.88Å; W485-R577 HydrophobicContact CH2-CG 4.38Å; W485-R577 HydrophobicContact CZ2-CB 4.01Å; W485-R577 HydrophobicContact CZ2-CG 4.02Å; W485-R577 HydrophobicContact CZ3-CB 3.87Å; W485-R577 HydrophobicContact CZ3-CG 4.44Å; W485-S581 PolarHBondContact NE1-OG 2.77Å |
| 486 | C | 91 | Very high | 82.3 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.4 | -40.1 | 175.7 | -68.2 | 0 | 0 | 0 | 0 | 112.1 | L482 T490 I498 W505 I514 | L482-C486 WeakPolarHBondContact O-CB 3.16Å; L482-C486 PolarHBondContact O-N 3.41Å; L482-C486 PolarHBondContact O-SG 3.01Å; C486-T490 WeakPolarHBondContact O-CB 3.36Å; C486-T490 WeakPolarHBondContact O-CG2 3.47Å; C486-T490 PolarHBondContact O-N 3.12Å; C486-T490 VanDerWaalsContact O-N 3.09Å; C486-T490 PolarHBondContact O-OG1 3.46Å; C486-I498 HydrophobicContact CB-CD1 3.83Å; C486-I498 HydrophobicContact CB-CG2 4.4Å; C486-W505 HydrophobicContact CB-CH2 3.83Å; C486-W505 HydrophobicContact CB-CZ2 3.89Å; C486-I514 HydrophobicContact CB-CD1 4.45Å |
| 487 | R | 91.5 | Very high | 84.2 | Confident | 115 Ų | 115 | 66 Ų | 66 | 43% | 0.434 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 176.2 | -78.2 | 167.3 | 177.3 | 172.7 | 3 | 112.9 | L483 A484 W485 K491 I498 | L483-R487 WeakPolarHBondContact O-CB 3.28Å; L483-R487 WeakPolarHBondContact O-CD 3.36Å; L483-R487 WeakPolarHBondContact O-CG 3.3Å; L483-R487 PolarHBondContact O-N 3.07Å; A484-R487 WeakPolarHBondContact O-CB 3.16Å; A484-R487 PolarHBondContact O-N 2.99Å; W485-R487 VanDerWaalsContact C-N 3.28Å; W485-R487 PolarHBondContact O-N 3.42Å; R487-K491 WeakPolarHBondContact O-CA 3.36Å; R487-K491 WeakPolarHBondContact O-CB 3.43Å; R487-K491 PolarHBondContact O-N 3.32Å; R487-I498 HydrophobicContact CG-CB 4.13Å; R487-I498 HydrophobicContact CG-CG2 4.49Å; R487-I498 PolarHBondContact NE-O 3.24Å; R487-I498 PolarHBondContact NH2-O 2.77Å |
| 488 | E | 89.6 | Confident | 85.6 | Confident | 114 Ų | 114 | 64.7 Ų | 64.7 | 53% | 0.533 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -73.7 | -43.9 | -178.4 | -165.2 | 62.1 | -148.7 | 0 | 0 | 110.8 | A484 W485 T490 K491 | A484-E488 PolarHBondContact O-N 3.44Å; W485-E488 PolarHBondContact O-N 3.48Å; W485-E488 VanDerWaalsContact O-N 3.12Å; E488-T490 VanDerWaalsContact C-N 3.3Å; E488-T490 PolarHBondContact O-N 3.4Å; E488-K491 VanDerWaalsContact O-CB 3.24Å; E488-K491 WeakPolarHBondContact O-CB 3.3Å; E488-K491 PolarHBondContact O-N 3.04Å; E488-K491 VanDerWaalsContact OE1-CD 3.24Å; E488-K491 WeakPolarHBondContact OE1-CD 3.36Å; E488-K491 IonicContact OE1-NZ 3.65Å; E488-K491 PolarHBondContact OE1-NZ 2.87Å; E488-K491 WeakPolarHBondContact OE2-CD 3.42Å; E488-K491 IonicContact OE2-NZ 3.84Å; E488-K491 PolarHBondContact OE2-NZ 3.24Å |
| 489 | V | 89.3 | Confident | 86.5 | Confident | 10 Ų | 10 | 68.3 Ų | 68.3 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.1 | -38.8 | 173.8 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | W485 I514 H517 F518 | W485-V489 HydrophobicContact CD2-CG2 4.12Å; W485-V489 HydrophobicContact CG-CG2 4.49Å; W485-V489 HydrophobicContact CZ2-CG2 4.03Å; W485-V489 WeakPolarHBondContact O-CG2 3.49Å; W485-V489 PolarHBondContact O-N 2.96Å; V489-I514 HydrophobicContact CG1-CB 4.32Å; V489-I514 HydrophobicContact CG1-CG1 3.88Å; V489-I514 HydrophobicContact CG1-CG2 4.37Å; V489-H517 HydrophobicContact CG1-CB 3.7Å; V489-H517 PolarHBondContact O-ND1 3.49Å; V489-F518 HydrophobicContact CG1-CE2 3.87Å; V489-F518 HydrophobicContact CG1-CZ 4.3Å; V489-F518 HydrophobicContact CG2-CE2 4.29Å; V489-F518 HydrophobicContact CG2-CZ 4.07Å |
| 490 | T | 90.4 | Very high | 87.1 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 4% | 0.043 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -96.8 | 3.4 | -178.1 | 63.2 | 0 | 0 | 0 | 0 | 115.5 | C486 E488 N492 Y493 V496 I498 A513 I514 | C486-T490 WeakPolarHBondContact O-CB 3.36Å; C486-T490 WeakPolarHBondContact O-CG2 3.47Å; C486-T490 PolarHBondContact O-N 3.12Å; C486-T490 VanDerWaalsContact O-N 3.09Å; C486-T490 PolarHBondContact O-OG1 3.46Å; E488-T490 VanDerWaalsContact C-N 3.3Å; E488-T490 PolarHBondContact O-N 3.4Å; T490-N492 PolarHBondContact O-N 3.12Å; T490-Y493 WeakPolarHBondContact O-CB 3.32Å; T490-Y493 PolarHBondContact O-N 2.93Å; T490-V496 HydrophobicContact CG2-CG1 4.25Å; T490-I498 HydrophobicContact CG2-CD1 4Å; T490-I498 VanDerWaalsContact OG1-CD1 3.27Å; T490-I498 WeakPolarHBondContact OG1-CD1 3.36Å; T490-A513 HydrophobicContact CG2-CB 3.65Å; T490-I514 HydrophobicContact CG2-CD1 4.4Å; T490-I514 HydrophobicContact CG2-CG1 3.62Å |
| 491 | K | 84.4 | Confident | 87.5 | Confident | 130 Ų | 130 | 64.8 Ų | 64.8 | 57% | 0.565 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -34.6 | -170.6 | -167 | 164.2 | 179.2 | 172.2 | 0 | 115.7 | R487 E488 | R487-K491 WeakPolarHBondContact O-CA 3.36Å; R487-K491 WeakPolarHBondContact O-CB 3.43Å; R487-K491 PolarHBondContact O-N 3.32Å; E488-K491 VanDerWaalsContact O-CB 3.24Å; E488-K491 WeakPolarHBondContact O-CB 3.3Å; E488-K491 PolarHBondContact O-N 3.04Å; E488-K491 VanDerWaalsContact OE1-CD 3.24Å; E488-K491 WeakPolarHBondContact OE1-CD 3.36Å; E488-K491 IonicContact OE1-NZ 3.65Å; E488-K491 PolarHBondContact OE1-NZ 2.87Å; E488-K491 WeakPolarHBondContact OE2-CD 3.42Å; E488-K491 IonicContact OE2-NZ 3.84Å; E488-K491 PolarHBondContact OE2-NZ 3.24Å |
| 492 | N | 84.9 | Confident | 87.5 | Confident | 156 Ų | 156 | 64.7 Ų | 64.7 | 83% | 0.834 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 4.4 | -175.1 | -62 | -22.2 | 0 | 0 | 0 | 113.7 | T490 | T490-N492 PolarHBondContact O-N 3.12Š|
| 493 | Y | 88.3 | Confident | 87.4 | Confident | 41 Ų | 41 | 68 Ų | 68 | 16% | 0.161 | 34% | 0.341 | C | S | . | . | trans | -90.9 | 122.3 | -174.1 | -74.1 | -94.9 | 0 | 0 | 0 | 112.6 | T490 G495 V496 A513 H516 H517 Y525 | T490-Y493 WeakPolarHBondContact O-CB 3.32Å; T490-Y493 PolarHBondContact O-N 2.93Å; Y493-G495 PolarHBondContact O-N 2.74Å; Y493-V496 PolarHBondContact O-N 3.27Å; Y493-A513 HydrophobicContact CD1-CB 3.7Å; Y493-A513 HydrophobicContact CD2-CB 3.99Å; Y493-A513 HydrophobicContact CE1-CB 4.26Å; Y493-A513 HydrophobicContact CG-CB 3.55Å; Y493-H516 HydrophobicContact CE1-CB 4.04Å; Y493-H516 AromaticContact CE1-CG 3.89Å; Y493-H516 AromaticContact CE1-ND1 3.49Å; Y493-H516 WeakPolarHBondContact CE1-ND1 3.36Å; Y493-H516 AromaticContact CZ-ND1 3.64Å; Y493-H516 PolarHBondContact OH-ND1 3.17Å; Y493-H517 HydrophobicContact CE2-CB 4.24Å; Y493-H517 WeakPolarHBondContact OH-CA 3.49Å; Y493-H517 PolarHBondContact OH-N 3.38Å; Y493-H517 VanDerWaalsContact OH-N 3.16Å; Y493-Y525 AromaticContact CD1-CD1 3.77Å; Y493-Y525 HydrophobicContact CD1-CD1 3.77Å; Y493-Y525 AromaticContact CD1-CD2 3.78Å; Y493-Y525 HydrophobicContact CD1-CD2 3.78Å; Y493-Y525 AromaticContact CD1-CE1 3.83Å; Y493-Y525 HydrophobicContact CD1-CE1 3.83Å; Y493-Y525 AromaticContact CD1-CE2 3.83Å; Y493-Y525 HydrophobicContact CD1-CE2 3.83Å; Y493-Y525 AromaticContact CD1-CG 3.77Å; Y493-Y525 HydrophobicContact CD1-CG 3.77Å; Y493-Y525 AromaticContact CD1-CZ 3.87Å; Y493-Y525 HydrophobicContact CE1-CD1 4.37Å; Y493-Y525 HydrophobicContact CE1-CD2 4.15Å; Y493-Y525 HydrophobicContact CE1-CG 4.06Å | ||
| 494 | R | 83.1 | Confident | 87.4 | Confident | 228 Ų | 228 | 67.9 Ų | 67.9 | 86% | 0.86 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 129 | -180 | -157.8 | -131.4 | -66.2 | -92.2 | 9.1 | 110.2 | Y525 | R494-Y525 WeakPolarHBondContact O-CE1 3.21Å; R494-Y525 PolarHBondContact O-OH 3.22Å |
| 495 | G | 81.6 | Confident | 87.6 | Confident | 51 Ų | 51 | 65.3 Ų | 65.3 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -5.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y493 | Y493-G495 PolarHBondContact O-N 2.74Š|
| 496 | V | 88.8 | Confident | 87.5 | Confident | 21 Ų | 21 | 66.6 Ų | 66.6 | 13% | 0.127 | 33% | 0.325 | C | S | . | . | trans | -97.8 | 130.8 | 177.1 | 173 | 0 | 0 | 0 | 0 | 111 | T490 Y493 I498 L509 A510 A513 Y525 | T490-V496 HydrophobicContact CG2-CG1 4.25Å; Y493-V496 PolarHBondContact O-N 3.27Å; V496-I498 HydrophobicContact CG1-CD1 4.06Å; V496-I498 HydrophobicContact CG1-CG1 3.74Å; V496-L509 HydrophobicContact CG2-CB 3.78Å; V496-L509 WeakPolarHBondContact CG2-O 3.26Å; V496-A510 HydrophobicContact CG1-CB 4.09Å; V496-A513 HydrophobicContact CG2-CB 4.08Å; V496-Y525 WeakPolarHBondContact CG2-OH 3.49Å | ||
| 497 | K | 86.6 | Confident | 87.3 | Confident | 180 Ų | 180 | 68.6 Ų | 68.6 | 78% | 0.783 | 34% | 0.336 | S | S | * | . | trans | -142.8 | 94.9 | 174.1 | -71.5 | -172.1 | 178.2 | -179 | 0 | 109.9 | T499 S504 | K497-T499 PolarHBondContact O-N 2.94Å; K497-S504 PolarHBondContact O-OG 3.11Å | ||
| 498 | I | 89.6 | Confident | 87.2 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | trans | -85.8 | 100.3 | -175.5 | -57.6 | 178.3 | 0 | 0 | 0 | 110 | L483 C486 R487 T490 V496 W505 A510 | L483-I498 HydrophobicContact CD1-CG2 3.69Å; L483-I498 HydrophobicContact CG-CG2 4.45Å; C486-I498 HydrophobicContact CB-CD1 3.83Å; C486-I498 HydrophobicContact CB-CG2 4.4Å; R487-I498 HydrophobicContact CG-CB 4.13Å; R487-I498 HydrophobicContact CG-CG2 4.49Å; R487-I498 PolarHBondContact NE-O 3.24Å; R487-I498 PolarHBondContact NH2-O 2.77Å; T490-I498 HydrophobicContact CG2-CD1 4Å; T490-I498 VanDerWaalsContact OG1-CD1 3.27Å; T490-I498 WeakPolarHBondContact OG1-CD1 3.36Å; V496-I498 HydrophobicContact CG1-CD1 4.06Å; V496-I498 HydrophobicContact CG1-CG1 3.74Å; I498-W505 HydrophobicContact CD1-CH2 3.6Å; I498-W505 HydrophobicContact CD1-CZ2 3.71Å; I498-W505 HydrophobicContact CD1-CZ3 4.33Å; I498-W505 HydrophobicContact CG1-CZ2 4.28Å; I498-W505 HydrophobicContact CG2-CZ2 3.74Å; I498-A510 HydrophobicContact CD1-CB 4.15Å; I498-A510 HydrophobicContact CG1-CB 4.2Å | ||
| 499 | T | 87.3 | Confident | 87.3 | Confident | 95 Ų | 95 | 57.9 Ų | 57.9 | 58% | 0.583 | 29% | 0.291 | S | S | * | . | trans | -105.8 | -28.4 | 177.7 | 55.5 | 0 | 0 | 0 | 0 | 112.7 | K497 S504 | K497-T499 PolarHBondContact O-N 2.94Å; T499-S504 PolarHBondContact N-OG 3.42Å; T499-S504 PolarHBondContact OG1-OG 3.42Å; T499-S504 VanDerWaalsContact OG1-OG 3.05Å | ||
| 500 | N | 85.5 | Confident | 87.5 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 24% | 0.235 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -142.2 | -177.2 | -178.3 | 64 | 38.4 | 0 | 0 | 0 | 112.5 | T502 T503 S504 W505 | N500-T502 VanDerWaalsContact OD1-C 3.28Å; N500-T502 WeakPolarHBondContact OD1-CA 3.2Å; N500-T502 PolarHBondContact OD1-N 2.97Å; N500-T502 PolarHBondContact OD1-OG1 3.46Å; N500-T503 PolarHBondContact ND2-OG1 3.24Å; N500-T503 PolarHBondContact OD1-N 3.01Å; N500-S504 PolarHBondContact N-OG 2.96Å; N500-S504 VanDerWaalsContact N-OG 3.12Å; N500-S504 WeakPolarHBondContact OD1-CB 3.33Å; N500-S504 PolarHBondContact OD1-N 2.81Å; N500-S504 PolarHBondContact OD1-OG 3.09Å; N500-W505 PolarHBondContact O-NE1 3.34Å |
| 501 | F | 88.4 | Confident | 87.6 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 7% | 0.066 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -102.2 | 25.7 | 171.8 | -69.9 | -68.6 | 0 | 0 | 0 | 113.2 | S479 L482 L483 K566 V569 M570 L573 | S479-F501 VanDerWaalsContact O-CE2 3.24Å; S479-F501 WeakPolarHBondContact O-CE2 3.47Å; S479-F501 VanDerWaalsContact O-CZ 3.22Å; S479-F501 WeakPolarHBondContact O-CZ 3.16Å; L482-F501 HydrophobicContact CB-CZ 3.99Å; L482-F501 HydrophobicContact CD2-CE1 3.78Å; L482-F501 HydrophobicContact CD2-CZ 3.89Å; L482-F501 HydrophobicContact CG-CE1 3.93Å; L482-F501 HydrophobicContact CG-CZ 3.92Å; L483-F501 HydrophobicContact CB-CE2 3.93Å; L483-F501 HydrophobicContact CB-CZ 3.68Å; L483-F501 HydrophobicContact CD1-CD1 4.32Å; L483-F501 HydrophobicContact CD1-CD2 4.14Å; L483-F501 HydrophobicContact CD1-CE1 3.99Å; L483-F501 HydrophobicContact CD1-CE2 3.78Å; L483-F501 HydrophobicContact CD1-CG 4.4Å; L483-F501 HydrophobicContact CD1-CZ 3.71Å; L483-F501 HydrophobicContact CG-CE2 4.39Å; L483-F501 HydrophobicContact CG-CZ 4.32Å; F501-K566 HydrophobicContact CB-CG 4.16Å; F501-V569 HydrophobicContact CB-CG1 4.39Å; F501-V569 WeakPolarHBondContact O-CB 3.44Å; F501-V569 WeakPolarHBondContact O-CG1 3.5Å; F501-M570 HydrophobicContact CB-CG 3.77Å; F501-M570 HydrophobicContact CB-SD 4.49Å; F501-M570 HydrophobicContact CD1-CG 3.63Å; F501-M570 HydrophobicContact CD2-CG 3.6Å; F501-M570 HydrophobicContact CD2-SD 3.55Å; F501-M570 VanDerWaalsContact CD2-SD 3.55Å; F501-M570 HydrophobicContact CE1-CG 4.03Å; F501-M570 HydrophobicContact CE2-CG 3.99Å; F501-M570 HydrophobicContact CE2-SD 3.79Å; F501-M570 HydrophobicContact CG-CG 3.38Å; F501-M570 HydrophobicContact CG-SD 4Å; F501-M570 HydrophobicContact CZ-CG 4.18Å; F501-M570 HydrophobicContact CZ-SD 4.42Å; F501-L573 HydrophobicContact CD1-CD1 3.78Å; F501-L573 HydrophobicContact CE1-CD1 3.91Å |
| 502 | T | 85.4 | Confident | 88 | Confident | 28 Ų | 28 | 50.9 Ų | 50.9 | 17% | 0.172 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -133 | -96 | 179.7 | 61.1 | 0 | 0 | 0 | 0 | 110.5 | N500 S504 W505 I563 P564 K566 | N500-T502 VanDerWaalsContact OD1-C 3.28Å; N500-T502 WeakPolarHBondContact OD1-CA 3.2Å; N500-T502 PolarHBondContact OD1-N 2.97Å; N500-T502 PolarHBondContact OD1-OG1 3.46Å; T502-S504 VanDerWaalsContact C-N 3.26Å; T502-S504 PolarHBondContact O-N 3.14Å; T502-W505 PolarHBondContact O-N 3.13Å; T502-W505 VanDerWaalsContact O-N 3.11Å; T502-I563 HydrophobicContact CG2-CG2 4.07Å; T502-P564 WeakPolarHBondContact CB-O 3.42Å; T502-P564 VanDerWaalsContact CG2-O 3.3Å; T502-P564 WeakPolarHBondContact CG2-O 3.49Å; T502-P564 VanDerWaalsContact O-CG 3.29Å; T502-P564 WeakPolarHBondContact O-CG 3.45Å; T502-K566 HydrophobicContact CG2-CB 3.74Å; T502-K566 HydrophobicContact CG2-CG 4.32Å |
| 503 | T | 84.7 | Confident | 88.4 | Confident | 71 Ų | 71 | 43.5 Ų | 43.5 | 44% | 0.436 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -24.4 | -173.5 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | N500 W505 R506 I563 | N500-T503 PolarHBondContact ND2-OG1 3.24Å; N500-T503 PolarHBondContact OD1-N 3.01Å; T503-W505 PolarHBondContact O-N 3.35Å; T503-R506 PolarHBondContact O-N 3.12Å; T503-I563 HydrophobicContact CG2-CB 4.48Å; T503-I563 HydrophobicContact CG2-CG1 4.09Å; T503-I563 HydrophobicContact CG2-CG2 4.32Å |
| 504 | S | 89 | Confident | 88.6 | Confident | 17 Ų | 17 | 41.5 Ų | 41.5 | 12% | 0.119 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.5 | 174 | -67.3 | 0 | 0 | 0 | 0 | 114.3 | K497 T499 N500 T502 | K497-S504 PolarHBondContact O-OG 3.11Å; T499-S504 PolarHBondContact N-OG 3.42Å; T499-S504 PolarHBondContact OG1-OG 3.42Å; T499-S504 VanDerWaalsContact OG1-OG 3.05Å; N500-S504 PolarHBondContact N-OG 2.96Å; N500-S504 VanDerWaalsContact N-OG 3.12Å; N500-S504 WeakPolarHBondContact OD1-CB 3.33Å; N500-S504 PolarHBondContact OD1-N 2.81Å; N500-S504 PolarHBondContact OD1-OG 3.09Å; T502-S504 VanDerWaalsContact C-N 3.26Å; T502-S504 PolarHBondContact O-N 3.14Å |
| 505 | W | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -18.3 | -175.9 | -62.3 | 89.5 | 0 | 0 | 0 | 112.7 | C486 I498 N500 T502 T503 N507 G508 A510 F511 I514 V569 L573 | C486-W505 HydrophobicContact CB-CH2 3.83Å; C486-W505 HydrophobicContact CB-CZ2 3.89Å; I498-W505 HydrophobicContact CD1-CH2 3.6Å; I498-W505 HydrophobicContact CD1-CZ2 3.71Å; I498-W505 HydrophobicContact CD1-CZ3 4.33Å; I498-W505 HydrophobicContact CG1-CZ2 4.28Å; I498-W505 HydrophobicContact CG2-CZ2 3.74Å; N500-W505 PolarHBondContact O-NE1 3.34Å; T502-W505 PolarHBondContact O-N 3.13Å; T502-W505 VanDerWaalsContact O-N 3.11Å; T503-W505 PolarHBondContact O-N 3.35Å; W505-N507 VanDerWaalsContact C-N 3.3Å; W505-N507 PolarHBondContact O-N 2.84Å; W505-N507 VanDerWaalsContact O-N 3.16Å; W505-G508 PolarHBondContact O-N 2.97Å; W505-A510 HydrophobicContact CD2-CB 4.06Å; W505-A510 HydrophobicContact CE3-CB 3.45Å; W505-A510 VanDerWaalsContact CE3-CB 3.45Å; W505-A510 HydrophobicContact CH2-CB 4.28Å; W505-A510 HydrophobicContact CZ3-CB 3.56Å; W505-F511 HydrophobicContact CB-CE2 3.79Å; W505-F511 HydrophobicContact CB-CZ 4.17Å; W505-F511 HydrophobicContact CD2-CE2 4.48Å; W505-F511 HydrophobicContact CD2-CZ 4.29Å; W505-F511 AromaticContact CE3-CD1 3.84Å; W505-F511 HydrophobicContact CE3-CD1 3.84Å; W505-F511 HydrophobicContact CE3-CD2 4.03Å; W505-F511 AromaticContact CE3-CE1 3.73Å; W505-F511 HydrophobicContact CE3-CE1 3.73Å; W505-F511 AromaticContact CE3-CE2 3.93Å; W505-F511 HydrophobicContact CE3-CE2 3.93Å; W505-F511 AromaticContact CE3-CG 3.98Å; W505-F511 HydrophobicContact CE3-CG 3.98Å; W505-F511 AromaticContact CE3-CZ 3.78Å; W505-F511 HydrophobicContact CE3-CZ 3.78Å; W505-F511 HydrophobicContact CG-CE2 4.47Å; W505-F511 HydrophobicContact CG-CZ 4.46Å; W505-F511 HydrophobicContact CZ3-CD1 4Å; W505-F511 HydrophobicContact CZ3-CE1 4.13Å; W505-F511 HydrophobicContact CZ3-CG 4.37Å; W505-I514 HydrophobicContact CH2-CD1 3.72Å; W505-I514 HydrophobicContact CZ3-CD1 3.88Å; W505-V569 HydrophobicContact CB-CG1 4.31Å; W505-V569 HydrophobicContact CD2-CG1 4.33Å; W505-V569 HydrophobicContact CG-CG1 3.85Å; W505-L573 HydrophobicContact CD2-CD1 3.92Å; W505-L573 HydrophobicContact CE3-CD1 4.17Å; W505-L573 HydrophobicContact CE3-CD2 4.12Å; W505-L573 HydrophobicContact CH2-CD1 3.67Å; W505-L573 HydrophobicContact CH2-CD2 3.48Å; W505-L573 VanDerWaalsContact CH2-CD2 3.48Å; W505-L573 HydrophobicContact CH2-CG 4.24Å; W505-L573 HydrophobicContact CZ2-CD1 3.37Å; W505-L573 HydrophobicContact CZ2-CD2 4.12Å; W505-L573 HydrophobicContact CZ2-CG 4.41Å; W505-L573 HydrophobicContact CZ3-CD1 4.07Å; W505-L573 HydrophobicContact CZ3-CD2 3.5Å; W505-L573 HydrophobicContact CZ3-CG 4.4Å |
| 506 | R | 86.4 | Confident | 89.5 | Confident | 68 Ų | 68 | 30.3 Ų | 30.3 | 26% | 0.257 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -38.3 | -168.3 | -165.7 | 177.7 | -179.7 | -155.3 | -6.3 | 113.5 | T503 G508 I533 N537 M558 V559 L561 A562 | T503-R506 PolarHBondContact O-N 3.12Å; R506-G508 PolarHBondContact O-N 2.97Å; R506-I533 WeakPolarHBondContact O-CG2 3.46Å; R506-N537 PolarHBondContact O-ND2 3.21Å; R506-M558 HydrophobicContact CG-CB 4.45Å; R506-M558 WeakPolarHBondContact CG-O 3.25Å; R506-M558 PolarHBondContact NE-O 3.39Å; R506-V559 PolarHBondContact NH2-O 3.41Å; R506-L561 PolarHBondContact NE-O 3.49Å; R506-L561 VanDerWaalsContact NE-O 3.15Å; R506-L561 PolarHBondContact NH2-O 3.16Å; R506-L561 VanDerWaalsContact NH2-O 3.12Å; R506-A562 PolarHBondContact NH1-O 3.35Å |
| 507 | N | 87.7 | Confident | 89.4 | Confident | 42 Ų | 42 | 33.5 Ų | 33.5 | 23% | 0.225 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -1.3 | -178.4 | 73.4 | -2 | 0 | 0 | 0 | 115 | W505 L509 N536 | W505-N507 VanDerWaalsContact C-N 3.3Å; W505-N507 PolarHBondContact O-N 2.84Å; W505-N507 VanDerWaalsContact O-N 3.16Å; N507-L509 PolarHBondContact O-N 3.08Å; N507-L509 PolarHBondContact OD1-N 2.79Å; N507-L509 VanDerWaalsContact OD1-N 3.16Å; N507-N536 WeakPolarHBondContact O-CB 3.46Å; N507-N536 PolarHBondContact O-ND2 2.94Å |
| 508 | G | 89.3 | Confident | 89.4 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 74.1 | -20.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | W505 R506 A510 F511 C512 N537 | W505-G508 PolarHBondContact O-N 2.97Å; R506-G508 PolarHBondContact O-N 2.97Å; G508-A510 VanDerWaalsContact C-N 3.27Å; G508-A510 PolarHBondContact O-N 3.35Å; G508-F511 WeakPolarHBondContact O-CB 3.44Å; G508-F511 PolarHBondContact O-N 3.16Å; G508-C512 PolarHBondContact O-N 3.22Å; G508-C512 PolarHBondContact O-SG 3.45Å; G508-C512 VanDerWaalsContact O-SG 3.42Å; G508-N537 VanDerWaalsContact CA-OD1 3.25Å; G508-N537 WeakPolarHBondContact CA-OD1 3.48Å; G508-N537 PolarHBondContact N-ND2 3.3Å |
| 509 | L | 91.7 | Very high | 89.1 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61 | -34.7 | -177.8 | -64.4 | -174.1 | 0 | 0 | 0 | 112.9 | V496 N507 F511 C512 A513 L528 P530 | V496-L509 HydrophobicContact CG2-CB 3.78Å; V496-L509 WeakPolarHBondContact CG2-O 3.26Å; N507-L509 PolarHBondContact O-N 3.08Å; N507-L509 PolarHBondContact OD1-N 2.79Å; N507-L509 VanDerWaalsContact OD1-N 3.16Å; L509-F511 VanDerWaalsContact C-N 3.33Å; L509-F511 PolarHBondContact O-N 3.29Å; L509-C512 PolarHBondContact O-N 3.05Å; L509-A513 VanDerWaalsContact O-CB 3.23Å; L509-A513 WeakPolarHBondContact O-CB 3.47Å; L509-A513 PolarHBondContact O-N 3.45Å; L509-L528 HydrophobicContact CD2-CB 3.69Å; L509-L528 HydrophobicContact CD2-CD1 4.16Å; L509-P530 HydrophobicContact CD1-CB 3.89Å; L509-P530 HydrophobicContact CD1-CG 3.76Å |
| 510 | A | 92.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.2 | -37.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V496 I498 W505 G508 I514 | V496-A510 HydrophobicContact CG1-CB 4.09Å; I498-A510 HydrophobicContact CD1-CB 4.15Å; I498-A510 HydrophobicContact CG1-CB 4.2Å; W505-A510 HydrophobicContact CD2-CB 4.06Å; W505-A510 HydrophobicContact CE3-CB 3.45Å; W505-A510 VanDerWaalsContact CE3-CB 3.45Å; W505-A510 HydrophobicContact CH2-CB 4.28Å; W505-A510 HydrophobicContact CZ3-CB 3.56Å; G508-A510 VanDerWaalsContact C-N 3.27Å; G508-A510 PolarHBondContact O-N 3.35Å; A510-I514 WeakPolarHBondContact O-CG1 3.47Å; A510-I514 PolarHBondContact O-N 2.86Å |
| 511 | F | 93.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71 | -45.8 | 173.2 | -69.5 | -66.9 | 0 | 0 | 0 | 111.5 | W505 G508 L509 A513 I514 L515 N537 A540 Y541 F544 M558 Y572 L573 I576 | W505-F511 HydrophobicContact CB-CE2 3.79Å; W505-F511 HydrophobicContact CB-CZ 4.17Å; W505-F511 HydrophobicContact CD2-CE2 4.48Å; W505-F511 HydrophobicContact CD2-CZ 4.29Å; W505-F511 AromaticContact CE3-CD1 3.84Å; W505-F511 HydrophobicContact CE3-CD1 3.84Å; W505-F511 HydrophobicContact CE3-CD2 4.03Å; W505-F511 AromaticContact CE3-CE1 3.73Å; W505-F511 HydrophobicContact CE3-CE1 3.73Å; W505-F511 AromaticContact CE3-CE2 3.93Å; W505-F511 HydrophobicContact CE3-CE2 3.93Å; W505-F511 AromaticContact CE3-CG 3.98Å; W505-F511 HydrophobicContact CE3-CG 3.98Å; W505-F511 AromaticContact CE3-CZ 3.78Å; W505-F511 HydrophobicContact CE3-CZ 3.78Å; W505-F511 HydrophobicContact CG-CE2 4.47Å; W505-F511 HydrophobicContact CG-CZ 4.46Å; W505-F511 HydrophobicContact CZ3-CD1 4Å; W505-F511 HydrophobicContact CZ3-CE1 4.13Å; W505-F511 HydrophobicContact CZ3-CG 4.37Å; G508-F511 WeakPolarHBondContact O-CB 3.44Å; G508-F511 PolarHBondContact O-N 3.16Å; L509-F511 VanDerWaalsContact C-N 3.33Å; L509-F511 PolarHBondContact O-N 3.29Å; F511-A513 VanDerWaalsContact C-N 3.29Å; F511-A513 PolarHBondContact O-N 2.82Å; F511-I514 PolarHBondContact O-N 2.86Å; F511-L515 PolarHBondContact O-N 3.29Å; F511-N537 WeakPolarHBondContact CD2-OD1 3.47Å; F511-A540 HydrophobicContact CB-CB 3.58Å; F511-Y541 HydrophobicContact CB-CE1 4.49Å; F511-Y541 HydrophobicContact CD1-CE1 4.31Å; F511-Y541 AromaticContact CD2-CE1 3.77Å; F511-Y541 HydrophobicContact CD2-CE1 3.77Å; F511-Y541 HydrophobicContact CE1-CE1 4.46Å; F511-Y541 AromaticContact CE2-CE1 3.94Å; F511-Y541 HydrophobicContact CE2-CE1 3.94Å; F511-Y541 WeakPolarHBondContact CE2-OH 3.29Å; F511-Y541 AromaticContact CG-CE1 3.96Å; F511-Y541 HydrophobicContact CG-CE1 3.96Å; F511-Y541 HydrophobicContact CZ-CE1 4.29Å; F511-F544 HydrophobicContact CB-CE2 4.09Å; F511-F544 HydrophobicContact CD1-CE2 4.15Å; F511-F544 WeakPolarHBondContact O-CZ 3.28Å; F511-M558 HydrophobicContact CE2-CE 4.43Å; F511-Y572 HydrophobicContact CD1-CE1 4.47Å; F511-Y572 AromaticContact CE1-CD1 3.84Å; F511-Y572 HydrophobicContact CE1-CD1 3.84Å; F511-Y572 HydrophobicContact CE1-CE1 4.13Å; F511-Y572 HydrophobicContact CZ-CD1 4.28Å; F511-L573 HydrophobicContact CD1-CD2 4.15Å; F511-L573 HydrophobicContact CE1-CD2 3.72Å; F511-L573 HydrophobicContact CE1-CG 4.12Å; F511-I576 HydrophobicContact CD1-CD1 4.29Å; F511-I576 HydrophobicContact CE1-CD1 4.36Å |
| 512 | C | 92.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.5 | -35.6 | 176.3 | -64.1 | 0 | 0 | 0 | 0 | 113.1 | G508 L509 L515 H516 I523 Y525 L528 N536 | G508-C512 PolarHBondContact O-N 3.22Å; G508-C512 PolarHBondContact O-SG 3.45Å; G508-C512 VanDerWaalsContact O-SG 3.42Å; L509-C512 PolarHBondContact O-N 3.05Å; C512-L515 PolarHBondContact O-N 3Å; C512-H516 VanDerWaalsContact O-CB 3.3Å; C512-H516 WeakPolarHBondContact O-CB 3.26Å; C512-H516 PolarHBondContact O-N 3.49Å; C512-I523 HydrophobicContact CB-CD1 4.18Å; C512-Y525 HydrophobicContact CB-CD2 4.19Å; C512-Y525 HydrophobicContact CB-CE2 4.32Å; C512-L528 HydrophobicContact CB-CD1 3.39Å; C512-N536 PolarHBondContact SG-O 2.91Å |
| 513 | A | 92.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.7 | -39.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | T490 Y493 V496 L509 F511 H517 Y525 | T490-A513 HydrophobicContact CG2-CB 3.65Å; Y493-A513 HydrophobicContact CD1-CB 3.7Å; Y493-A513 HydrophobicContact CD2-CB 3.99Å; Y493-A513 HydrophobicContact CE1-CB 4.26Å; Y493-A513 HydrophobicContact CG-CB 3.55Å; V496-A513 HydrophobicContact CG2-CB 4.08Å; L509-A513 VanDerWaalsContact O-CB 3.23Å; L509-A513 WeakPolarHBondContact O-CB 3.47Å; L509-A513 PolarHBondContact O-N 3.45Å; F511-A513 VanDerWaalsContact C-N 3.29Å; F511-A513 PolarHBondContact O-N 2.82Å; A513-H517 WeakPolarHBondContact O-CB 3.35Å; A513-H517 PolarHBondContact O-N 2.92Å; A513-Y525 HydrophobicContact CB-CD2 4.32Å; A513-Y525 HydrophobicContact CB-CE2 3.74Å |
| 514 | I | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -45.3 | 173.4 | -68.5 | 178.9 | 0 | 0 | 0 | 110.4 | W485 C486 V489 T490 W505 A510 F511 H517 F518 F544 L573 I576 | W485-I514 HydrophobicContact CH2-CG2 4.13Å; W485-I514 HydrophobicContact CZ3-CD1 4.05Å; C486-I514 HydrophobicContact CB-CD1 4.45Å; V489-I514 HydrophobicContact CG1-CB 4.32Å; V489-I514 HydrophobicContact CG1-CG1 3.88Å; V489-I514 HydrophobicContact CG1-CG2 4.37Å; T490-I514 HydrophobicContact CG2-CD1 4.4Å; T490-I514 HydrophobicContact CG2-CG1 3.62Å; W505-I514 HydrophobicContact CH2-CD1 3.72Å; W505-I514 HydrophobicContact CZ3-CD1 3.88Å; A510-I514 WeakPolarHBondContact O-CG1 3.47Å; A510-I514 PolarHBondContact O-N 2.86Å; F511-I514 PolarHBondContact O-N 2.86Å; I514-H517 WeakPolarHBondContact O-CB 3.37Å; I514-H517 PolarHBondContact O-N 3.38Å; I514-F518 HydrophobicContact CG2-CD2 4.17Å; I514-F518 HydrophobicContact CG2-CE2 4.12Å; I514-F518 WeakPolarHBondContact O-CD2 3.47Å; I514-F518 PolarHBondContact O-N 3.1Å; I514-F544 HydrophobicContact CB-CZ 4.35Å; I514-F544 HydrophobicContact CG2-CE1 4.39Å; I514-F544 HydrophobicContact CG2-CZ 4.15Å; I514-L573 HydrophobicContact CD1-CD2 4.19Å; I514-I576 HydrophobicContact CG2-CG2 3.78Å |
| 515 | L | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.7 | -49.3 | 177.3 | -179 | 53.7 | 0 | 0 | 0 | 111.7 | F511 C512 H517 F518 R519 I522 I523 F544 L547 | F511-L515 PolarHBondContact O-N 3.29Å; C512-L515 PolarHBondContact O-N 3Å; L515-H517 VanDerWaalsContact C-N 3.27Å; L515-H517 PolarHBondContact O-N 3.39Å; L515-F518 PolarHBondContact O-N 2.95Å; L515-R519 HydrophobicContact CD1-CB 4.27Å; L515-R519 CarbonylContact O-C 3.51Å; L515-R519 WeakPolarHBondContact O-CA 3.37Å; L515-R519 PolarHBondContact O-N 3.39Å; L515-I522 HydrophobicContact CD2-CG2 4.14Å; L515-I523 HydrophobicContact CD2-CD1 3.67Å; L515-I523 HydrophobicContact CD2-CG1 4.06Å; L515-I523 HydrophobicContact CG-CD1 4.43Å; L515-F544 HydrophobicContact CB-CD1 4.3Å; L515-F544 HydrophobicContact CB-CE1 3.63Å; L515-F544 HydrophobicContact CB-CZ 3.81Å; L515-F544 HydrophobicContact CD1-CD1 3.86Å; L515-F544 HydrophobicContact CD1-CE1 3.91Å; L515-F544 HydrophobicContact CG-CD1 4.46Å; L515-F544 HydrophobicContact CG-CE1 4.24Å; L515-L547 HydrophobicContact CD1-CD1 3.57Å |
| 516 | H | 91.8 | Very high | 88.3 | Confident | 43 Ų | 43 | 46.3 Ų | 46.3 | 20% | 0.199 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -29.2 | 177.2 | -178.7 | -68.7 | 0 | 0 | 0 | 112.9 | Y493 C512 P520 I523 Y525 | Y493-H516 HydrophobicContact CE1-CB 4.04Å; Y493-H516 AromaticContact CE1-CG 3.89Å; Y493-H516 AromaticContact CE1-ND1 3.49Å; Y493-H516 WeakPolarHBondContact CE1-ND1 3.36Å; Y493-H516 AromaticContact CZ-ND1 3.64Å; Y493-H516 PolarHBondContact OH-ND1 3.17Å; C512-H516 VanDerWaalsContact O-CB 3.3Å; C512-H516 WeakPolarHBondContact O-CB 3.26Å; C512-H516 PolarHBondContact O-N 3.49Å; H516-P520 WeakPolarHBondContact O-CB 3.25Å; H516-P520 WeakPolarHBondContact O-CD 3.4Å; H516-I523 PolarHBondContact CD2-O 2.87Å; H516-Y525 WeakPolarHBondContact CD2-CB 3.25Å |
| 517 | H | 88.6 | Confident | 88.3 | Confident | 89 Ų | 89 | 46.8 Ų | 46.8 | 41% | 0.412 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 176.9 | -173.9 | 116.5 | 0 | 0 | 0 | 111.9 | V489 Y493 A513 I514 L515 | V489-H517 HydrophobicContact CG1-CB 3.7Å; V489-H517 PolarHBondContact O-ND1 3.49Å; Y493-H517 HydrophobicContact CE2-CB 4.24Å; Y493-H517 WeakPolarHBondContact OH-CA 3.49Å; Y493-H517 PolarHBondContact OH-N 3.38Å; Y493-H517 VanDerWaalsContact OH-N 3.16Å; A513-H517 WeakPolarHBondContact O-CB 3.35Å; A513-H517 PolarHBondContact O-N 2.92Å; I514-H517 WeakPolarHBondContact O-CB 3.37Å; I514-H517 PolarHBondContact O-N 3.38Å; L515-H517 VanDerWaalsContact C-N 3.27Å; L515-H517 PolarHBondContact O-N 3.39Å |
| 518 | F | 86.6 | Confident | 88.3 | Confident | 63 Ų | 63 | 46 Ų | 46 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -91.4 | -27.7 | -179.2 | -64 | -68.9 | 0 | 0 | 0 | 113.4 | W485 V489 I514 L515 F580 | W485-F518 HydrophobicContact CH2-CE2 4.16Å; W485-F518 AromaticContact CZ2-CE2 3.8Å; W485-F518 HydrophobicContact CZ2-CE2 3.8Å; W485-F518 AromaticContact CZ2-CZ 3.87Å; W485-F518 HydrophobicContact CZ2-CZ 3.87Å; V489-F518 HydrophobicContact CG1-CE2 3.87Å; V489-F518 HydrophobicContact CG1-CZ 4.3Å; V489-F518 HydrophobicContact CG2-CE2 4.29Å; V489-F518 HydrophobicContact CG2-CZ 4.07Å; I514-F518 HydrophobicContact CG2-CD2 4.17Å; I514-F518 HydrophobicContact CG2-CE2 4.12Å; I514-F518 WeakPolarHBondContact O-CD2 3.47Å; I514-F518 PolarHBondContact O-N 3.1Å; L515-F518 PolarHBondContact O-N 2.95Å; F518-F580 HydrophobicContact CB-CD1 3.44Å; F518-F580 VanDerWaalsContact CB-CD1 3.44Å; F518-F580 HydrophobicContact CB-CE1 3.49Å; F518-F580 VanDerWaalsContact CB-CE1 3.49Å; F518-F580 HydrophobicContact CB-CG 4.03Å; F518-F580 HydrophobicContact CB-CZ 4.11Å; F518-F580 HydrophobicContact CD1-CB 3.98Å; F518-F580 HydrophobicContact CD1-CD1 4.1Å; F518-F580 HydrophobicContact CD1-CG 4.18Å; F518-F580 HydrophobicContact CD2-CB 3.78Å; F518-F580 AromaticContact CD2-CD1 3.86Å; F518-F580 HydrophobicContact CD2-CD1 3.86Å; F518-F580 AromaticContact CD2-CD2 3.66Å; F518-F580 HydrophobicContact CD2-CD2 3.66Å; F518-F580 HydrophobicContact CD2-CE1 4.34Å; F518-F580 HydrophobicContact CD2-CE2 4.18Å; F518-F580 AromaticContact CD2-CG 3.49Å; F518-F580 HydrophobicContact CD2-CG 3.49Å; F518-F580 VanDerWaalsContact CD2-CG 3.49Å; F518-F580 HydrophobicContact CD2-CZ 4.48Å; F518-F580 HydrophobicContact CE1-CB 3.96Å; F518-F580 HydrophobicContact CE2-CB 3.76Å; F518-F580 HydrophobicContact CE2-CD2 4.11Å; F518-F580 AromaticContact CE2-CG 3.96Å; F518-F580 HydrophobicContact CE2-CG 3.96Å; F518-F580 HydrophobicContact CG-CB 3.9Å; F518-F580 AromaticContact CG-CD1 3.53Å; F518-F580 HydrophobicContact CG-CD1 3.53Å; F518-F580 HydrophobicContact CG-CD2 4.22Å; F518-F580 HydrophobicContact CG-CE1 4.05Å; F518-F580 AromaticContact CG-CG 3.62Å; F518-F580 HydrophobicContact CG-CG 3.62Å; F518-F580 HydrophobicContact CZ-CB 3.86Å; F518-F580 HydrophobicContact CZ-CG 4.48Å |
| 519 | R | 82 | Confident | 88.1 | Confident | 102 Ų | 102 | 49.4 Ų | 49.4 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | trans | -144.3 | 76.5 | -176.4 | -65.8 | -59.1 | -66.6 | -109.2 | -1.2 | 111.8 | L515 D521 I522 L547 | L515-R519 HydrophobicContact CD1-CB 4.27Å; L515-R519 CarbonylContact O-C 3.51Å; L515-R519 WeakPolarHBondContact O-CA 3.37Å; L515-R519 PolarHBondContact O-N 3.39Å; R519-D521 WeakPolarHBondContact CA-OD1 3.42Å; R519-D521 VanDerWaalsContact CB-OD1 3.3Å; R519-D521 WeakPolarHBondContact CB-OD1 3.39Å; R519-D521 IonicContact CZ-OD1 3.76Å; R519-D521 IonicContact CZ-OD2 3.12Å; R519-D521 IonicContact NE-OD1 2.67Å; R519-D521 PolarHBondContact NE-OD1 2.88Å; R519-D521 IonicContact NE-OD2 2.81Å; R519-D521 PolarHBondContact NE-OD2 3.01Å; R519-D521 VanDerWaalsContact NE-OD2 3.15Å; R519-D521 IonicContact NH2-OD1 2.77Å; R519-D521 IonicContact NH2-OD2 3.6Å; R519-D521 PolarHBondContact NH2-OD2 3.15Å; R519-D521 PolarHBondContact O-N 3.26Å; R519-I522 HydrophobicContact CB-CD1 3.82Å; R519-I522 HydrophobicContact CB-CG1 4.14Å; R519-I522 HydrophobicContact CG-CD1 4.22Å; R519-I522 PolarHBondContact O-N 3.43Å; R519-L547 HydrophobicContact CB-CD1 4.32Å; R519-L547 HydrophobicContact CG-CD1 3.8Å; R519-L547 HydrophobicContact CG-CD2 4.06Å | ||
| 520 | P | 84.4 | Confident | 87.8 | Confident | 79 Ų | 79 | 52.5 Ų | 52.5 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -7 | 176.4 | 30.7 | -36.2 | 0 | 0 | 0 | 113.3 | H516 I522 | H516-P520 WeakPolarHBondContact O-CB 3.25Å; H516-P520 WeakPolarHBondContact O-CD 3.4Å; P520-I522 VanDerWaalsContact C-N 3.34Å |
| 521 | D | 81.7 | Confident | 87.4 | Confident | 102 Ų | 102 | 59.6 Ų | 59.6 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -18.1 | 173.5 | 55 | -54.6 | 0 | 0 | 0 | 113.9 | R519 | R519-D521 WeakPolarHBondContact CA-OD1 3.42Å; R519-D521 VanDerWaalsContact CB-OD1 3.3Å; R519-D521 WeakPolarHBondContact CB-OD1 3.39Å; R519-D521 IonicContact CZ-OD1 3.76Å; R519-D521 IonicContact CZ-OD2 3.12Å; R519-D521 IonicContact NE-OD1 2.67Å; R519-D521 PolarHBondContact NE-OD1 2.88Å; R519-D521 IonicContact NE-OD2 2.81Å; R519-D521 PolarHBondContact NE-OD2 3.01Å; R519-D521 VanDerWaalsContact NE-OD2 3.15Å; R519-D521 IonicContact NH2-OD1 2.77Å; R519-D521 IonicContact NH2-OD2 3.6Å; R519-D521 PolarHBondContact NH2-OD2 3.15Å; R519-D521 PolarHBondContact O-N 3.26Å |
| 522 | I | 83.1 | Confident | 87 | Confident | 56 Ų | 56 | 63.1 Ų | 63.1 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -23.1 | -171.4 | -60.3 | 178.8 | 0 | 0 | 0 | 112.8 | L515 R519 P520 L547 | L515-I522 HydrophobicContact CD2-CG2 4.14Å; R519-I522 HydrophobicContact CB-CD1 3.82Å; R519-I522 HydrophobicContact CB-CG1 4.14Å; R519-I522 HydrophobicContact CG-CD1 4.22Å; R519-I522 PolarHBondContact O-N 3.43Å; P520-I522 VanDerWaalsContact C-N 3.34Å; I522-L547 HydrophobicContact CD1-CD1 3.96Å; I522-L547 HydrophobicContact CD1-CD2 3.74Å; I522-L547 HydrophobicContact CD1-CG 3.83Å |
| 523 | I | 87.6 | Confident | 86.8 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 8% | 0.082 | 34% | 0.337 | C | S | . | . | trans | -140.2 | 131.8 | 179.9 | -78.5 | -169.8 | 0 | 0 | 0 | 109.6 | C512 L515 H516 Y525 L528 K539 | C512-I523 HydrophobicContact CB-CD1 4.18Å; L515-I523 HydrophobicContact CD2-CD1 3.67Å; L515-I523 HydrophobicContact CD2-CG1 4.06Å; L515-I523 HydrophobicContact CG-CD1 4.43Å; H516-I523 PolarHBondContact CD2-O 2.87Å; I523-Y525 PolarHBondContact O-N 3.21Å; I523-L528 HydrophobicContact CG2-CD1 3.94Å; I523-K539 HydrophobicContact CD1-CB 4.1Å | ||
| 524 | D | 86.1 | Confident | 86.6 | Confident | 96 Ų | 96 | 69.7 Ų | 69.7 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | trans | -81.1 | 107.6 | 155.9 | 176.8 | 15.3 | 0 | 0 | 0 | 109.2 | K526 A527 | D524-K526 VanDerWaalsContact C-N 3.3Å; D524-K526 PolarHBondContact O-N 3.02Å; D524-K526 WeakPolarHBondContact OD1-CB 3.26Å; D524-K526 PolarHBondContact OD1-N 2.82Å; D524-A527 WeakPolarHBondContact OD2-CB 3.47Å | ||
| 525 | Y | 87.6 | Confident | 86.4 | Confident | 23 Ų | 23 | 74.5 Ų | 74.5 | 9% | 0.09 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -71.2 | -25.6 | 179 | -174.7 | -84.3 | 0 | 0 | 0 | 112.4 | Y493 R494 V496 C512 A513 H516 I523 A527 L528 | Y493-Y525 AromaticContact CD1-CD1 3.77Å; Y493-Y525 HydrophobicContact CD1-CD1 3.77Å; Y493-Y525 AromaticContact CD1-CD2 3.78Å; Y493-Y525 HydrophobicContact CD1-CD2 3.78Å; Y493-Y525 AromaticContact CD1-CE1 3.83Å; Y493-Y525 HydrophobicContact CD1-CE1 3.83Å; Y493-Y525 AromaticContact CD1-CE2 3.83Å; Y493-Y525 HydrophobicContact CD1-CE2 3.83Å; Y493-Y525 AromaticContact CD1-CG 3.77Å; Y493-Y525 HydrophobicContact CD1-CG 3.77Å; Y493-Y525 AromaticContact CD1-CZ 3.87Å; Y493-Y525 HydrophobicContact CE1-CD1 4.37Å; Y493-Y525 HydrophobicContact CE1-CD2 4.15Å; Y493-Y525 HydrophobicContact CE1-CG 4.06Å; R494-Y525 WeakPolarHBondContact O-CE1 3.21Å; R494-Y525 PolarHBondContact O-OH 3.22Å; V496-Y525 WeakPolarHBondContact CG2-OH 3.49Å; C512-Y525 HydrophobicContact CB-CD2 4.19Å; C512-Y525 HydrophobicContact CB-CE2 4.32Å; A513-Y525 HydrophobicContact CB-CD2 4.32Å; A513-Y525 HydrophobicContact CB-CE2 3.74Å; H516-Y525 WeakPolarHBondContact CD2-CB 3.25Å; I523-Y525 PolarHBondContact O-N 3.21Å; Y525-A527 VanDerWaalsContact C-N 3.31Å; Y525-A527 PolarHBondContact O-N 3.35Å; Y525-L528 HydrophobicContact CD2-CD1 3.96Å; Y525-L528 HydrophobicContact CE2-CD1 4.39Å; Y525-L528 HydrophobicContact CG-CD1 4.47Å; Y525-L528 PolarHBondContact O-N 3.06Å |
| 526 | K | 85.3 | Confident | 86.4 | Confident | 190 Ų | 190 | 74.6 Ų | 74.6 | 83% | 0.826 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -24.8 | -175 | -62.4 | 172.3 | -175.7 | 166.7 | 0 | 112.5 | D524 | D524-K526 VanDerWaalsContact C-N 3.3Å; D524-K526 PolarHBondContact O-N 3.02Å; D524-K526 WeakPolarHBondContact OD1-CB 3.26Å; D524-K526 PolarHBondContact OD1-N 2.82Å |
| 527 | A | 85.9 | Confident | 86.4 | Confident | 77 Ų | 77 | 72.6 Ų | 72.6 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -4.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D524 Y525 | D524-A527 WeakPolarHBondContact OD2-CB 3.47Å; Y525-A527 VanDerWaalsContact C-N 3.31Å; Y525-A527 PolarHBondContact O-N 3.35Å |
| 528 | L | 87.3 | Confident | 86.6 | Confident | 25 Ų | 25 | 73.5 Ų | 73.5 | 13% | 0.131 | 37% | 0.372 | C | S | . | . | trans | -82.2 | 133.8 | -176.7 | -60.2 | 179.5 | 0 | 0 | 0 | 112.9 | L509 C512 I523 Y525 K539 | L509-L528 HydrophobicContact CD2-CB 3.69Å; L509-L528 HydrophobicContact CD2-CD1 4.16Å; C512-L528 HydrophobicContact CB-CD1 3.39Å; I523-L528 HydrophobicContact CG2-CD1 3.94Å; Y525-L528 HydrophobicContact CD2-CD1 3.96Å; Y525-L528 HydrophobicContact CE2-CD1 4.39Å; Y525-L528 HydrophobicContact CG-CD1 4.47Å; Y525-L528 PolarHBondContact O-N 3.06Å; L528-K539 HydrophobicContact CD2-CD 4.13Å | ||
| 529 | N | 84.9 | Confident | 86.8 | Confident | 73 Ų | 73 | 74.7 Ų | 74.7 | 39% | 0.39 | 38% | 0.377 | S | S | . | . | trans | -104.7 | 128 | 179.7 | 172.4 | 20.9 | 0 | 0 | 0 | 110.5 | Q531 D532 N536 | N529-Q531 PolarHBondContact O-N 3.24Å; N529-Q531 PolarHBondContact OD1-N 3.23Å; N529-D532 VanDerWaalsContact CB-OD2 3.31Å; N529-D532 WeakPolarHBondContact CB-OD2 3.35Å; N529-D532 PolarHBondContact ND2-OD2 2.98Å; N529-D532 PolarHBondContact O-N 3.23Å; N529-N536 PolarHBondContact O-ND2 2.66Å | ||
| 530 | P | 86.2 | Confident | 87.3 | Confident | 68 Ų | 68 | 69.9 Ų | 69.9 | 44% | 0.442 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -23.1 | 178.3 | -22.7 | 28.4 | 0 | 0 | 0 | 115.7 | L509 | L509-P530 HydrophobicContact CD1-CB 3.89Å; L509-P530 HydrophobicContact CD1-CG 3.76Å |
| 531 | Q | 83.8 | Confident | 87.7 | Confident | 150 Ų | 150 | 66.2 Ų | 66.2 | 70% | 0.701 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -23.3 | -175.2 | -159.9 | 64 | 19.3 | 0 | 0 | 113.5 | N529 I533 | N529-Q531 PolarHBondContact O-N 3.24Å; N529-Q531 PolarHBondContact OD1-N 3.23Å; Q531-I533 PolarHBondContact O-N 2.94Å |
| 532 | D | 86 | Confident | 88.1 | Confident | 73 Ų | 73 | 64.1 Ų | 64.1 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | trans | -87.3 | 54.6 | -170.8 | -63 | -47.4 | 0 | 0 | 0 | 112.5 | N529 K534 E535 N536 | N529-D532 VanDerWaalsContact CB-OD2 3.31Å; N529-D532 WeakPolarHBondContact CB-OD2 3.35Å; N529-D532 PolarHBondContact ND2-OD2 2.98Å; N529-D532 PolarHBondContact O-N 3.23Å; D532-K534 VanDerWaalsContact C-N 3.32Å; D532-K534 PolarHBondContact O-N 3.17Å; D532-K534 VanDerWaalsContact O-N 3.15Å; D532-E535 HydrophobicContact CB-CB 4.35Å; D532-E535 PolarHBondContact O-N 3.22Å; D532-N536 PolarHBondContact O-N 3.2Å | ||
| 533 | I | 86.6 | Confident | 88.3 | Confident | 49 Ų | 49 | 61.7 Ų | 61.7 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -40.9 | -52.9 | -175.2 | -67.2 | 174.8 | 0 | 0 | 0 | 112.9 | R506 Q531 N537 M558 V559 | R506-I533 WeakPolarHBondContact O-CG2 3.46Å; Q531-I533 PolarHBondContact O-N 2.94Å; I533-N537 PolarHBondContact O-N 3.14Å; I533-N537 PolarHBondContact O-ND2 3.04Å; I533-M558 HydrophobicContact CG2-CB 4.38Å; I533-V559 HydrophobicContact CG2-CG2 3.76Å |
| 534 | K | 88.6 | Confident | 88.4 | Confident | 89 Ų | 89 | 61 Ų | 61 | 39% | 0.387 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.4 | -37.5 | -176.4 | -163.6 | 174.8 | -178.8 | 177.1 | 0 | 112 | M178 D532 K538 P555 V559 | M178-K534 PolarHBondContact SD-NZ 3Å; M178-K534 VanDerWaalsContact SD-NZ 3.36Å; D532-K534 VanDerWaalsContact C-N 3.32Å; D532-K534 PolarHBondContact O-N 3.17Å; D532-K534 VanDerWaalsContact O-N 3.15Å; K534-K538 VanDerWaalsContact O-CB 3.28Å; K534-K538 WeakPolarHBondContact O-CB 3.43Å; K534-K538 PolarHBondContact O-N 3.35Å; K534-K538 VanDerWaalsContact O-N 3.07Å; K534-P555 HydrophobicContact CG-CB 4.09Å; K534-V559 HydrophobicContact CB-CG2 3.77Å; K534-V559 HydrophobicContact CG-CG2 4.12Å |
| 535 | E | 89.6 | Confident | 88.4 | Confident | 101 Ų | 101 | 58 Ų | 58 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -79.6 | -39.5 | -174.4 | -160.8 | -178.3 | 124.5 | 0 | 0 | 112 | D532 K538 K539 | D532-E535 HydrophobicContact CB-CB 4.35Å; D532-E535 PolarHBondContact O-N 3.22Å; E535-K538 PolarHBondContact O-N 3.15Å; E535-K539 HydrophobicContact CG-CD 4.25Å; E535-K539 WeakPolarHBondContact O-CB 3.19Å; E535-K539 WeakPolarHBondContact O-CG 3.39Å; E535-K539 PolarHBondContact O-N 2.95Å; E535-K539 VanDerWaalsContact OE1-CE 3.25Å; E535-K539 WeakPolarHBondContact OE1-CE 3.39Å; E535-K539 IonicContact OE1-NZ 3.26Å; E535-K539 PolarHBondContact OE1-NZ 2.99Å |
| 536 | N | 91.6 | Very high | 88.3 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60 | -50.8 | 174.4 | -67.4 | -22.8 | 0 | 0 | 0 | 111.3 | N507 C512 N529 D532 K538 K539 A540 | N507-N536 WeakPolarHBondContact O-CB 3.46Å; N507-N536 PolarHBondContact O-ND2 2.94Å; C512-N536 PolarHBondContact SG-O 2.91Å; N529-N536 PolarHBondContact O-ND2 2.66Å; D532-N536 PolarHBondContact O-N 3.2Å; N536-K538 VanDerWaalsContact C-N 3.34Å; N536-K538 PolarHBondContact O-N 3.22Å; N536-K539 PolarHBondContact O-N 3.37Å; N536-A540 PolarHBondContact O-N 3.19Å |
| 537 | N | 91.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 177.1 | -73.4 | -70.6 | 0 | 0 | 0 | 111.4 | R506 G508 F511 I533 A540 Y541 P555 M558 | R506-N537 PolarHBondContact O-ND2 3.21Å; G508-N537 VanDerWaalsContact CA-OD1 3.25Å; G508-N537 WeakPolarHBondContact CA-OD1 3.48Å; G508-N537 PolarHBondContact N-ND2 3.3Å; F511-N537 WeakPolarHBondContact CD2-OD1 3.47Å; I533-N537 PolarHBondContact O-N 3.14Å; I533-N537 PolarHBondContact O-ND2 3.04Å; N537-A540 PolarHBondContact O-N 3.47Å; N537-Y541 HydrophobicContact CB-CE1 4.41Å; N537-Y541 HydrophobicContact CB-CE2 4.02Å; N537-Y541 WeakPolarHBondContact O-CB 3.3Å; N537-Y541 VanDerWaalsContact O-CD1 3.29Å; N537-Y541 WeakPolarHBondContact O-CD1 3.06Å; N537-Y541 PolarHBondContact O-N 2.89Å; N537-Y541 PolarHBondContact OD1-OH 3.33Å; N537-Y541 VanDerWaalsContact OD1-OH 3.05Å; N537-P555 HydrophobicContact CB-CB 4.2Å; N537-M558 HydrophobicContact CB-CG 4.47Å |
| 538 | K | 92.8 | Very high | 87.7 | Confident | 108 Ų | 108 | 51.1 Ų | 51.1 | 47% | 0.47 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58 | -52.6 | 173.7 | -178.8 | -179.7 | 171.7 | -172 | 0 | 111.8 | K534 E535 N536 A540 Y541 D542 P555 | K534-K538 VanDerWaalsContact O-CB 3.28Å; K534-K538 WeakPolarHBondContact O-CB 3.43Å; K534-K538 PolarHBondContact O-N 3.35Å; K534-K538 VanDerWaalsContact O-N 3.07Å; E535-K538 PolarHBondContact O-N 3.15Å; N536-K538 VanDerWaalsContact C-N 3.34Å; N536-K538 PolarHBondContact O-N 3.22Å; K538-A540 VanDerWaalsContact C-N 3.28Å; K538-A540 PolarHBondContact O-N 3.39Å; K538-Y541 PolarHBondContact O-N 3.2Å; K538-D542 WeakPolarHBondContact CE-OD2 3.07Å; K538-D542 WeakPolarHBondContact CG-OD2 3.4Å; K538-D542 WeakPolarHBondContact O-CB 3.49Å; K538-D542 PolarHBondContact O-N 2.85Å; K538-P555 HydrophobicContact CB-CB 4.09Å; K538-P555 HydrophobicContact CB-CG 3.73Å; K538-P555 HydrophobicContact CG-CG 4.34Å |
| 539 | K | 90.9 | Very high | 87.6 | Confident | 89 Ų | 89 | 50.1 Ų | 50.1 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56 | -42.7 | 179.2 | -79.1 | 169.2 | 165.7 | 167.3 | 0 | 111.6 | I523 L528 E535 N536 G543 | I523-K539 HydrophobicContact CD1-CB 4.1Å; L528-K539 HydrophobicContact CD2-CD 4.13Å; E535-K539 HydrophobicContact CG-CD 4.25Å; E535-K539 WeakPolarHBondContact O-CB 3.19Å; E535-K539 WeakPolarHBondContact O-CG 3.39Å; E535-K539 PolarHBondContact O-N 2.95Å; E535-K539 VanDerWaalsContact OE1-CE 3.25Å; E535-K539 WeakPolarHBondContact OE1-CE 3.39Å; E535-K539 IonicContact OE1-NZ 3.26Å; E535-K539 PolarHBondContact OE1-NZ 2.99Å; N536-K539 PolarHBondContact O-N 3.37Å; K539-G543 PolarHBondContact O-N 2.92Å |
| 540 | A | 91.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.2 | -47.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | F511 N536 N537 K538 G543 F544 | F511-A540 HydrophobicContact CB-CB 3.58Å; N536-A540 PolarHBondContact O-N 3.19Å; N537-A540 PolarHBondContact O-N 3.47Å; K538-A540 VanDerWaalsContact C-N 3.28Å; K538-A540 PolarHBondContact O-N 3.39Å; A540-G543 CarbonylContact O-C 3.59Å; A540-G543 PolarHBondContact O-N 2.9Å; A540-F544 HydrophobicContact CB-CD2 4.44Å; A540-F544 HydrophobicContact CB-CE2 4.23Å; A540-F544 WeakPolarHBondContact O-CB 3.27Å; A540-F544 WeakPolarHBondContact O-CD2 3.25Å; A540-F544 WeakPolarHBondContact O-CG 3.47Å; A540-F544 PolarHBondContact O-N 2.83Å |
| 541 | Y | 93.5 | Very high | 87.2 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -74.6 | -31 | -174.9 | -54.9 | -11.4 | 0 | 0 | 0 | 112.5 | F511 N537 K538 A545 R551 L553 P555 Y572 | F511-Y541 HydrophobicContact CB-CE1 4.49Å; F511-Y541 HydrophobicContact CD1-CE1 4.31Å; F511-Y541 AromaticContact CD2-CE1 3.77Å; F511-Y541 HydrophobicContact CD2-CE1 3.77Å; F511-Y541 HydrophobicContact CE1-CE1 4.46Å; F511-Y541 AromaticContact CE2-CE1 3.94Å; F511-Y541 HydrophobicContact CE2-CE1 3.94Å; F511-Y541 WeakPolarHBondContact CE2-OH 3.29Å; F511-Y541 AromaticContact CG-CE1 3.96Å; F511-Y541 HydrophobicContact CG-CE1 3.96Å; F511-Y541 HydrophobicContact CZ-CE1 4.29Å; N537-Y541 HydrophobicContact CB-CE1 4.41Å; N537-Y541 HydrophobicContact CB-CE2 4.02Å; N537-Y541 WeakPolarHBondContact O-CB 3.3Å; N537-Y541 VanDerWaalsContact O-CD1 3.29Å; N537-Y541 WeakPolarHBondContact O-CD1 3.06Å; N537-Y541 PolarHBondContact O-N 2.89Å; N537-Y541 PolarHBondContact OD1-OH 3.33Å; N537-Y541 VanDerWaalsContact OD1-OH 3.05Å; K538-Y541 PolarHBondContact O-N 3.2Å; Y541-A545 VanDerWaalsContact O-CB 3.22Å; Y541-A545 WeakPolarHBondContact O-CB 3.31Å; Y541-A545 PolarHBondContact O-N 2.83Å; Y541-R551 PolarHBondContact O-NE 2.78Å; Y541-L553 WeakPolarHBondContact CD2-O 3.47Å; Y541-L553 HydrophobicContact CE2-CB 4.01Å; Y541-L553 WeakPolarHBondContact CE2-O 3.42Å; Y541-P555 HydrophobicContact CD2-CG 3.95Å; Y541-P555 HydrophobicContact CE2-CG 4.39Å; Y541-Y572 AromaticContact CD1-CE1 3.74Å; Y541-Y572 HydrophobicContact CD1-CE1 3.74Å; Y541-Y572 AromaticContact CE1-CE1 3.77Å; Y541-Y572 HydrophobicContact CE1-CE1 3.77Å |
| 542 | D | 89.5 | Confident | 87.2 | Confident | 59 Ų | 59 | 49.6 Ų | 49.6 | 32% | 0.316 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 168.8 | -75.9 | -29.7 | 0 | 0 | 0 | 110.7 | K538 A545 S546 R551 | K538-D542 WeakPolarHBondContact CE-OD2 3.07Å; K538-D542 WeakPolarHBondContact CG-OD2 3.4Å; K538-D542 WeakPolarHBondContact O-CB 3.49Å; K538-D542 PolarHBondContact O-N 2.85Å; D542-A545 PolarHBondContact O-N 3.49Å; D542-S546 PolarHBondContact O-N 3.16Å; D542-R551 IonicContact OD1-CZ 2.7Å; D542-R551 IonicContact OD1-NE 2.71Å; D542-R551 IonicContact OD1-NH1 3.44Å; D542-R551 PolarHBondContact OD1-NH1 3.16Å; D542-R551 IonicContact OD1-NH2 3.46Å; D542-R551 PolarHBondContact OD1-NH2 3Å |
| 543 | G | 86.3 | Confident | 87.1 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -76.2 | -21.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K539 A540 S546 L547 | K539-G543 PolarHBondContact O-N 2.92Å; A540-G543 CarbonylContact O-C 3.59Å; A540-G543 PolarHBondContact O-N 2.9Å; G543-S546 WeakPolarHBondContact CA-OG 3.31Å; G543-S546 PolarHBondContact O-OG 2.84Å; G543-S546 VanDerWaalsContact O-OG 3.09Å; G543-L547 WeakPolarHBondContact O-CD1 3.33Å; G543-L547 WeakPolarHBondContact O-CG 3.5Å |
| 544 | F | 89.7 | Confident | 87 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -77.9 | -36.6 | 165.9 | -72.3 | -45.8 | 0 | 0 | 0 | 111.2 | F511 I514 L515 A540 L547 G548 I549 Y572 I576 F580 | F511-F544 HydrophobicContact CB-CE2 4.09Å; F511-F544 HydrophobicContact CD1-CE2 4.15Å; F511-F544 WeakPolarHBondContact O-CZ 3.28Å; I514-F544 HydrophobicContact CB-CZ 4.35Å; I514-F544 HydrophobicContact CG2-CE1 4.39Å; I514-F544 HydrophobicContact CG2-CZ 4.15Å; L515-F544 HydrophobicContact CB-CD1 4.3Å; L515-F544 HydrophobicContact CB-CE1 3.63Å; L515-F544 HydrophobicContact CB-CZ 3.81Å; L515-F544 HydrophobicContact CD1-CD1 3.86Å; L515-F544 HydrophobicContact CD1-CE1 3.91Å; L515-F544 HydrophobicContact CG-CD1 4.46Å; L515-F544 HydrophobicContact CG-CE1 4.24Å; A540-F544 HydrophobicContact CB-CD2 4.44Å; A540-F544 HydrophobicContact CB-CE2 4.23Å; A540-F544 WeakPolarHBondContact O-CB 3.27Å; A540-F544 WeakPolarHBondContact O-CD2 3.25Å; A540-F544 WeakPolarHBondContact O-CG 3.47Å; A540-F544 PolarHBondContact O-N 2.83Å; F544-L547 WeakPolarHBondContact O-CB 3.47Å; F544-L547 PolarHBondContact O-N 3.08Å; F544-L547 VanDerWaalsContact O-N 3.14Å; F544-G548 PolarHBondContact O-N 2.69Å; F544-I549 HydrophobicContact CB-CB 4.16Å; F544-I549 HydrophobicContact CB-CD1 4.2Å; F544-I549 HydrophobicContact CD1-CD1 3.86Å; F544-I549 HydrophobicContact CG-CD1 4.32Å; F544-I549 WeakPolarHBondContact O-CB 3.19Å; F544-I549 PolarHBondContact O-N 2.9Å; F544-Y572 HydrophobicContact CD2-CE1 4.4Å; F544-Y572 WeakPolarHBondContact CD2-OH 3.33Å; F544-I576 HydrophobicContact CD2-CD1 3.94Å; F544-I576 HydrophobicContact CD2-CG1 4.45Å; F544-I576 HydrophobicContact CE1-CG2 4.14Å; F544-I576 HydrophobicContact CE2-CD1 3.66Å; F544-I576 HydrophobicContact CE2-CG1 4.41Å; F544-I576 HydrophobicContact CZ-CD1 3.99Å; F544-I576 HydrophobicContact CZ-CG1 4.45Å; F544-I576 HydrophobicContact CZ-CG2 4.21Å; F544-F580 HydrophobicContact CD1-CE2 4.02Å; F544-F580 HydrophobicContact CD1-CZ 4.28Å; F544-F580 AromaticContact CE1-CE2 3.77Å; F544-F580 HydrophobicContact CE1-CE2 3.77Å; F544-F580 HydrophobicContact CE1-CZ 4.25Å |
| 545 | A | 87.1 | Confident | 86.9 | Confident | 33 Ų | 33 | 46.7 Ų | 46.7 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67 | -36.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y541 D542 L547 G548 I549 R551 | Y541-A545 VanDerWaalsContact O-CB 3.22Å; Y541-A545 WeakPolarHBondContact O-CB 3.31Å; Y541-A545 PolarHBondContact O-N 2.83Å; D542-A545 PolarHBondContact O-N 3.49Å; A545-L547 PolarHBondContact O-N 2.81Å; A545-G548 PolarHBondContact O-N 2.68Å; A545-I549 WeakPolarHBondContact CA-O 3.31Å; A545-R551 HydrophobicContact CB-CG 4.03Å |
| 546 | S | 85.6 | Confident | 86.5 | Confident | 86 Ų | 86 | 43.2 Ų | 43.2 | 60% | 0.601 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -13.4 | 172.8 | 63.7 | 0 | 0 | 0 | 0 | 113.8 | D542 G543 | D542-S546 PolarHBondContact O-N 3.16Å; G543-S546 WeakPolarHBondContact CA-OG 3.31Å; G543-S546 PolarHBondContact O-OG 2.84Å; G543-S546 VanDerWaalsContact O-OG 3.09Å |
| 547 | L | 80.9 | Confident | 86 | Confident | 30 Ų | 30 | 46 Ų | 46 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -1.5 | 171.4 | -65.8 | 172.4 | 0 | 0 | 0 | 113.4 | L515 R519 I522 G543 F544 A545 H579 F580 | L515-L547 HydrophobicContact CD1-CD1 3.57Å; R519-L547 HydrophobicContact CB-CD1 4.32Å; R519-L547 HydrophobicContact CG-CD1 3.8Å; R519-L547 HydrophobicContact CG-CD2 4.06Å; I522-L547 HydrophobicContact CD1-CD1 3.96Å; I522-L547 HydrophobicContact CD1-CD2 3.74Å; I522-L547 HydrophobicContact CD1-CG 3.83Å; G543-L547 WeakPolarHBondContact O-CD1 3.33Å; G543-L547 WeakPolarHBondContact O-CG 3.5Å; F544-L547 WeakPolarHBondContact O-CB 3.47Å; F544-L547 PolarHBondContact O-N 3.08Å; F544-L547 VanDerWaalsContact O-N 3.14Å; A545-L547 PolarHBondContact O-N 2.81Å; L547-H579 PolarHBondContact O-CE1 2.75Å; L547-H579 PolarHBondContact O-NE2 3.09Å; L547-F580 HydrophobicContact CD1-CE1 3.99Å; L547-F580 HydrophobicContact CD1-CZ 3.63Å |
| 548 | G | 76.9 | Confident | 85.5 | Confident | 31 Ų | 31 | 46 Ų | 46 | 32% | 0.32 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | 14.6 | 180 | 0 | 0 | 0 | 0 | 0 | 115.4 | F544 A545 | F544-G548 PolarHBondContact O-N 2.69Å; A545-G548 PolarHBondContact O-N 2.68Å |
| 549 | I | 84.9 | Confident | 84.9 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | trans | -91.6 | 113.8 | 173.7 | -55.7 | 167.1 | 0 | 0 | 0 | 108.7 | F544 A545 Y572 Q575 I576 H579 F580 | F544-I549 HydrophobicContact CB-CB 4.16Å; F544-I549 HydrophobicContact CB-CD1 4.2Å; F544-I549 HydrophobicContact CD1-CD1 3.86Å; F544-I549 HydrophobicContact CG-CD1 4.32Å; F544-I549 WeakPolarHBondContact O-CB 3.19Å; F544-I549 PolarHBondContact O-N 2.9Å; A545-I549 WeakPolarHBondContact CA-O 3.31Å; I549-Y572 HydrophobicContact CG2-CE2 3.93Å; I549-Q575 HydrophobicContact CG2-CG 4.08Å; I549-I576 HydrophobicContact CD1-CG1 4.23Å; I549-I576 HydrophobicContact CG2-CG1 4.06Å; I549-H579 HydrophobicContact CD1-CB 3.97Å; I549-H579 HydrophobicContact CG1-CB 3.9Å; I549-F580 HydrophobicContact CD1-CD2 4.45Å; I549-F580 HydrophobicContact CD1-CE2 3.72Å; I549-F580 HydrophobicContact CD1-CZ 4.11Å | ||
| 550 | S | 81.3 | Confident | 83.8 | Confident | 59 Ų | 59 | 46.1 Ų | 46.1 | 41% | 0.413 | 26% | 0.26 | S | S | . | . | trans | -55.8 | 137.5 | 179.7 | -37.7 | 0 | 0 | 0 | 0 | 111.8 | L552 Y572 Q575 | S550-L552 PolarHBondContact O-N 2.77Å; S550-Y572 VanDerWaalsContact O-CE2 3.25Å; S550-Y572 WeakPolarHBondContact O-CE2 3.41Å; S550-Q575 PolarHBondContact O-OE1 2.84Å; S550-Q575 PolarHBondContact OG-NE2 3.06Å | ||
| 551 | R | 83.3 | Confident | 82.6 | Confident | 146 Ų | 146 | 50.6 Ų | 50.6 | 55% | 0.551 | 28% | 0.284 | S | S | * | . | trans | -77 | 106.1 | 178.9 | -59.5 | 178.6 | -169.3 | 164.7 | 1.5 | 110.5 | Y541 D542 A545 | Y541-R551 PolarHBondContact O-NE 2.78Å; D542-R551 IonicContact OD1-CZ 2.7Å; D542-R551 IonicContact OD1-NE 2.71Å; D542-R551 IonicContact OD1-NH1 3.44Å; D542-R551 PolarHBondContact OD1-NH1 3.16Å; D542-R551 IonicContact OD1-NH2 3.46Å; D542-R551 PolarHBondContact OD1-NH2 3Å; A545-R551 HydrophobicContact CB-CG 4.03Å | ||
| 552 | L | 82.3 | Confident | 81 | Confident | 76 Ų | 76 | 53.8 Ų | 53.8 | 40% | 0.398 | 31% | 0.311 | S | S | . | . | trans | -90.9 | -10.6 | 176.3 | -169 | 62.8 | 0 | 0 | 0 | 113.5 | S550 T568 T571 Y572 | S550-L552 PolarHBondContact O-N 2.77Å; L552-T568 HydrophobicContact CD2-CG2 4.46Å; L552-T568 HydrophobicContact CG-CG2 4.09Å; L552-T571 HydrophobicContact CD2-CG2 3.53Å; L552-Y572 HydrophobicContact CB-CD2 3.8Å; L552-Y572 HydrophobicContact CB-CG 4.18Å | ||
| 553 | L | 85 | Confident | 80.3 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -133.4 | 147.6 | 176.2 | -64.2 | 93.7 | 0 | 0 | 0 | 110.7 | Y541 M558 T568 V569 Y572 | Y541-L553 WeakPolarHBondContact CD2-O 3.47Å; Y541-L553 HydrophobicContact CE2-CB 4.01Å; Y541-L553 WeakPolarHBondContact CE2-O 3.42Å; L553-M558 HydrophobicContact CD2-CE 3.37Å; L553-T568 HydrophobicContact CD1-CG2 3.98Å; L553-T568 HydrophobicContact CD2-CG2 4.16Å; L553-T568 HydrophobicContact CG-CG2 3.75Å; L553-V569 HydrophobicContact CD2-CG2 3.79Å; L553-Y572 HydrophobicContact CD1-CD1 3.53Å; L553-Y572 HydrophobicContact CD1-CE1 4.42Å; L553-Y572 HydrophobicContact CD1-CG 3.59Å |
| 554 | E | 84.7 | Confident | 79.8 | Confident | 114 Ų | 114 | 56 Ų | 56 | 53% | 0.533 | 32% | 0.32 | S | S | . | . | trans | -90.1 | 151.4 | 167.9 | -76.3 | -149.8 | 168.8 | 0 | 0 | 112.2 | S556 D557 | E554-S556 PolarHBondContact O-N 3.18Å; E554-S556 VanDerWaalsContact O-N 3.08Å; E554-S556 WeakPolarHBondContact OE2-CB 3.19Å; E554-S556 PolarHBondContact OE2-OG 2.99Å; E554-D557 PolarHBondContact N-OD2 3.31Å; E554-D557 PolarHBondContact O-N 3.37Å; E554-D557 VanDerWaalsContact O-N 3.11Å | ||
| 555 | P | 86.2 | Confident | 79.5 | Confident | 26 Ų | 26 | 60.2 Ų | 60.2 | 17% | 0.169 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.8 | 166.7 | -20.4 | 34.2 | 0 | 0 | 0 | 113.1 | K534 N537 K538 Y541 V559 | K534-P555 HydrophobicContact CG-CB 4.09Å; N537-P555 HydrophobicContact CB-CB 4.2Å; K538-P555 HydrophobicContact CB-CB 4.09Å; K538-P555 HydrophobicContact CB-CG 3.73Å; K538-P555 HydrophobicContact CG-CG 4.34Å; Y541-P555 HydrophobicContact CD2-CG 3.95Å; Y541-P555 HydrophobicContact CE2-CG 4.39Å; P555-V559 WeakPolarHBondContact O-CG2 3.5Å |
| 556 | S | 81.1 | Confident | 79.3 | Confident | 27 Ų | 27 | 62.4 Ų | 62.4 | 19% | 0.189 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -42.1 | 173 | -53.1 | 0 | 0 | 0 | 0 | 112.1 | E554 M558 V559 L560 | E554-S556 PolarHBondContact O-N 3.18Å; E554-S556 VanDerWaalsContact O-N 3.08Å; E554-S556 WeakPolarHBondContact OE2-CB 3.19Å; E554-S556 PolarHBondContact OE2-OG 2.99Å; S556-M558 VanDerWaalsContact C-N 3.33Å; S556-M558 PolarHBondContact O-N 3.22Å; S556-V559 PolarHBondContact O-N 2.89Å; S556-L560 WeakPolarHBondContact O-CG 3.44Å; S556-L560 PolarHBondContact O-N 3.16Å |
| 557 | D | 81.4 | Confident | 79.1 | Confident | 61 Ų | 61 | 60.2 Ų | 60.2 | 33% | 0.326 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | -172.4 | -54 | -31.1 | 0 | 0 | 0 | 111.7 | E554 V559 L561 | E554-D557 PolarHBondContact N-OD2 3.31Å; E554-D557 PolarHBondContact O-N 3.37Å; E554-D557 VanDerWaalsContact O-N 3.11Å; D557-V559 PolarHBondContact O-N 3.08Å; D557-L561 PolarHBondContact O-N 2.96Å |
| 558 | M | 81 | Confident | 79.3 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.3 | -21.5 | 176.3 | -63.8 | -65.2 | 151.3 | 0 | 0 | 113.3 | R506 F511 I533 N537 L553 S556 P564 V569 | R506-M558 HydrophobicContact CG-CB 4.45Å; R506-M558 WeakPolarHBondContact CG-O 3.25Å; R506-M558 PolarHBondContact NE-O 3.39Å; F511-M558 HydrophobicContact CE2-CE 4.43Å; I533-M558 HydrophobicContact CG2-CB 4.38Å; N537-M558 HydrophobicContact CB-CG 4.47Å; L553-M558 HydrophobicContact CD2-CE 3.37Å; S556-M558 VanDerWaalsContact C-N 3.33Å; S556-M558 PolarHBondContact O-N 3.22Å; M558-P564 HydrophobicContact CE-CB 3.58Å; M558-P564 HydrophobicContact CE-CG 4.07Å; M558-P564 HydrophobicContact SD-CB 3.6Å; M558-P564 HydrophobicContact SD-CG 3.7Å; M558-V569 HydrophobicContact CE-CG2 3.82Å |
| 559 | V | 79.1 | Confident | 79.9 | Confident | 61 Ų | 61 | 59.5 Ų | 59.5 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -93.1 | -51.2 | 179.3 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | R506 I533 K534 P555 S556 D557 | R506-V559 PolarHBondContact NH2-O 3.41Å; I533-V559 HydrophobicContact CG2-CG2 3.76Å; K534-V559 HydrophobicContact CB-CG2 3.77Å; K534-V559 HydrophobicContact CG-CG2 4.12Å; P555-V559 WeakPolarHBondContact O-CG2 3.5Å; S556-V559 PolarHBondContact O-N 2.89Å; D557-V559 PolarHBondContact O-N 3.08Å |
| 560 | L | 69.1 | Low | 79.9 | Confident | 139 Ų | 139 | 59.5 Ų | 59.5 | 73% | 0.728 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.7 | -41 | -172 | -67.9 | 171.5 | 0 | 0 | 0 | 112.6 | S556 | S556-L560 WeakPolarHBondContact O-CG 3.44Å; S556-L560 PolarHBondContact O-N 3.16Å |
| 561 | L | 65.7 | Low | 80 | Confident | 95 Ų | 95 | 58.1 Ų | 58.1 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -91.9 | 134.9 | 178.1 | -59.1 | 179.1 | 0 | 0 | 0 | 110.5 | R506 D557 I563 | R506-L561 PolarHBondContact NE-O 3.49Å; R506-L561 VanDerWaalsContact NE-O 3.15Å; R506-L561 PolarHBondContact NH2-O 3.16Å; R506-L561 VanDerWaalsContact NH2-O 3.12Å; D557-L561 PolarHBondContact O-N 2.96Å; L561-I563 WeakPolarHBondContact CB-O 3.46Å; L561-I563 PolarHBondContact O-N 2.91Å |
| 562 | A | 59.2 | Low | 80.4 | Confident | 69 Ų | 69 | 51.2 Ų | 51.2 | 57% | 0.57 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -64.8 | -29.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R506 | R506-A562 PolarHBondContact NH1-O 3.35Š|
| 563 | I | 75.2 | Confident | 80.7 | Confident | 107 Ų | 107 | 47.6 Ų | 47.6 | 55% | 0.549 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -134.3 | 116.2 | 179 | -56.2 | 176.3 | 0 | 0 | 0 | 105.4 | T502 T503 L561 | T502-I563 HydrophobicContact CG2-CG2 4.07Å; T503-I563 HydrophobicContact CG2-CB 4.48Å; T503-I563 HydrophobicContact CG2-CG1 4.09Å; T503-I563 HydrophobicContact CG2-CG2 4.32Å; L561-I563 WeakPolarHBondContact CB-O 3.46Å; L561-I563 PolarHBondContact O-N 2.91Å |
| 564 | P | 77.1 | Confident | 80.7 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | trans | -73.6 | 159 | 176.4 | 31.7 | -35.2 | 0 | 0 | 0 | 110.9 | T502 M558 K566 V569 | T502-P564 WeakPolarHBondContact CB-O 3.42Å; T502-P564 VanDerWaalsContact CG2-O 3.3Å; T502-P564 WeakPolarHBondContact CG2-O 3.49Å; T502-P564 VanDerWaalsContact O-CG 3.29Å; T502-P564 WeakPolarHBondContact O-CG 3.45Å; M558-P564 HydrophobicContact CE-CB 3.58Å; M558-P564 HydrophobicContact CE-CG 4.07Å; M558-P564 HydrophobicContact SD-CB 3.6Å; M558-P564 HydrophobicContact SD-CG 3.7Å; P564-K566 PolarHBondContact O-N 2.66Å; P564-V569 HydrophobicContact CB-CG2 4.32Å; P564-V569 HydrophobicContact CG-CG2 4.49Å | ||
| 565 | D | 82.3 | Confident | 80.7 | Confident | 89 Ų | 89 | 47.3 Ų | 47.3 | 48% | 0.476 | 26% | 0.259 | S | S | . | . | trans | -67 | 128.7 | -174.7 | -165.6 | -68.9 | 0 | 0 | 0 | 112.7 | L567 T568 V569 | D565-L567 PolarHBondContact O-N 3Å; D565-L567 WeakPolarHBondContact OD1-CA 3.46Å; D565-L567 VanDerWaalsContact OD1-CB 3.31Å; D565-L567 WeakPolarHBondContact OD1-CB 3.22Å; D565-L567 PolarHBondContact OD1-N 3.48Å; D565-T568 PolarHBondContact OD1-N 3.05Å; D565-V569 WeakPolarHBondContact O-CB 3.44Å; D565-V569 VanDerWaalsContact O-CG2 3.26Å; D565-V569 WeakPolarHBondContact O-CG2 3.43Å; D565-V569 PolarHBondContact O-N 3.27Å; D565-V569 VanDerWaalsContact O-N 3.11Å | ||
| 566 | K | 84.3 | Confident | 80.8 | Confident | 78 Ų | 78 | 46 Ų | 46 | 34% | 0.339 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | -178.3 | -175.6 | -162.6 | 166.5 | -173 | 0 | 112.3 | F501 T502 P564 M570 D1119 | F501-K566 HydrophobicContact CB-CG 4.16Å; T502-K566 HydrophobicContact CG2-CB 3.74Å; T502-K566 HydrophobicContact CG2-CG 4.32Å; P564-K566 PolarHBondContact O-N 2.66Å; K566-M570 HydrophobicContact CD-CE 4.49Å; K566-M570 HydrophobicContact CG-CE 4.23Å; K566-M570 WeakPolarHBondContact O-CB 3.35Å; K566-M570 WeakPolarHBondContact O-CG 2.88Å; K566-M570 PolarHBondContact O-N 3.29Å; K566-M570 VanDerWaalsContact O-N 3.14Å; K566-D1119 IonicContact NZ-OD1 3.67Å; K566-D1119 PolarHBondContact NZ-OD1 2.84Å |
| 567 | L | 80.8 | Confident | 81 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.9 | -53.9 | -178.4 | 176.2 | 55.9 | 0 | 0 | 0 | 109.7 | D565 V569 M570 T571 R1115 M1118 | D565-L567 PolarHBondContact O-N 3Å; D565-L567 WeakPolarHBondContact OD1-CA 3.46Å; D565-L567 VanDerWaalsContact OD1-CB 3.31Å; D565-L567 WeakPolarHBondContact OD1-CB 3.22Å; D565-L567 PolarHBondContact OD1-N 3.48Å; L567-V569 VanDerWaalsContact C-N 3.32Å; L567-V569 PolarHBondContact O-N 3.5Å; L567-M570 PolarHBondContact O-N 3.38Å; L567-M570 VanDerWaalsContact O-N 3.07Å; L567-T571 PolarHBondContact O-N 3.43Å; L567-T571 PolarHBondContact O-OG1 2.81Å; L567-T571 VanDerWaalsContact O-OG1 3.08Å; L567-R1115 HydrophobicContact CD2-CG 4.1Å; L567-M1118 HydrophobicContact CD1-CE 3.79Å; L567-M1118 HydrophobicContact CD1-SD 3.35Å; L567-M1118 WeakPolarHBondContact CD1-SD 3.31Å |
| 568 | T | 84 | Confident | 80.9 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 29% | 0.288 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | -177.6 | -40.2 | 0 | 0 | 0 | 0 | 111.8 | L552 L553 D565 T571 Y572 | L552-T568 HydrophobicContact CD2-CG2 4.46Å; L552-T568 HydrophobicContact CG-CG2 4.09Å; L553-T568 HydrophobicContact CD1-CG2 3.98Å; L553-T568 HydrophobicContact CD2-CG2 4.16Å; L553-T568 HydrophobicContact CG-CG2 3.75Å; D565-T568 PolarHBondContact OD1-N 3.05Å; T568-T571 PolarHBondContact O-N 3.38Å; T568-Y572 PolarHBondContact O-N 2.72Å; T568-Y572 VanDerWaalsContact O-N 3.07Å |
| 569 | V | 89.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 174.7 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | F501 W505 L553 M558 P564 D565 L567 L573 | F501-V569 HydrophobicContact CB-CG1 4.39Å; F501-V569 WeakPolarHBondContact O-CB 3.44Å; F501-V569 WeakPolarHBondContact O-CG1 3.5Å; W505-V569 HydrophobicContact CB-CG1 4.31Å; W505-V569 HydrophobicContact CD2-CG1 4.33Å; W505-V569 HydrophobicContact CG-CG1 3.85Å; L553-V569 HydrophobicContact CD2-CG2 3.79Å; M558-V569 HydrophobicContact CE-CG2 3.82Å; P564-V569 HydrophobicContact CB-CG2 4.32Å; P564-V569 HydrophobicContact CG-CG2 4.49Å; D565-V569 WeakPolarHBondContact O-CB 3.44Å; D565-V569 VanDerWaalsContact O-CG2 3.26Å; D565-V569 WeakPolarHBondContact O-CG2 3.43Å; D565-V569 PolarHBondContact O-N 3.27Å; D565-V569 VanDerWaalsContact O-N 3.11Å; L567-V569 VanDerWaalsContact C-N 3.32Å; L567-V569 PolarHBondContact O-N 3.5Å; V569-L573 HydrophobicContact CG1-CD1 3.7Å; V569-L573 HydrophobicContact CG1-CG 4.49Å; V569-L573 WeakPolarHBondContact O-CB 3.39Å; V569-L573 WeakPolarHBondContact O-CD1 3.5Å; V569-L573 WeakPolarHBondContact O-CG 3.3Å; V569-L573 PolarHBondContact O-N 2.77Å |
| 570 | M | 86.7 | Confident | 80.8 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 175.4 | -77.9 | -168.6 | -53.6 | 0 | 0 | 112.3 | L482 F501 K566 L567 Y572 L573 Y574 M1118 | L482-M570 HydrophobicContact CD2-CB 4.47Å; F501-M570 HydrophobicContact CB-CG 3.77Å; F501-M570 HydrophobicContact CB-SD 4.49Å; F501-M570 HydrophobicContact CD1-CG 3.63Å; F501-M570 HydrophobicContact CD2-CG 3.6Å; F501-M570 HydrophobicContact CD2-SD 3.55Å; F501-M570 VanDerWaalsContact CD2-SD 3.55Å; F501-M570 HydrophobicContact CE1-CG 4.03Å; F501-M570 HydrophobicContact CE2-CG 3.99Å; F501-M570 HydrophobicContact CE2-SD 3.79Å; F501-M570 HydrophobicContact CG-CG 3.38Å; F501-M570 HydrophobicContact CG-SD 4Å; F501-M570 HydrophobicContact CZ-CG 4.18Å; F501-M570 HydrophobicContact CZ-SD 4.42Å; K566-M570 HydrophobicContact CD-CE 4.49Å; K566-M570 HydrophobicContact CG-CE 4.23Å; K566-M570 WeakPolarHBondContact O-CB 3.35Å; K566-M570 WeakPolarHBondContact O-CG 2.88Å; K566-M570 PolarHBondContact O-N 3.29Å; K566-M570 VanDerWaalsContact O-N 3.14Å; L567-M570 PolarHBondContact O-N 3.38Å; L567-M570 VanDerWaalsContact O-N 3.07Å; M570-Y572 VanDerWaalsContact C-N 3.32Å; M570-Y572 PolarHBondContact O-N 2.87Å; M570-L573 CarbonylContact O-C 3.58Å; M570-L573 PolarHBondContact O-N 3.46Å; M570-L573 VanDerWaalsContact O-N 3.15Å; M570-Y574 HydrophobicContact CB-CE2 4.39Å; M570-Y574 WeakPolarHBondContact O-CD2 3.2Å; M570-Y574 PolarHBondContact O-N 3.04Å; M570-M1118 HydrophobicContact CE-CB 4.46Å; M570-M1118 HydrophobicContact CE-CE 3.88Å |
| 571 | T | 82 | Confident | 81.1 | Confident | 30 Ų | 30 | 44 Ų | 44 | 18% | 0.184 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | -179.2 | -54 | 0 | 0 | 0 | 0 | 111.5 | L552 L567 T568 Y574 Q575 | L552-T571 HydrophobicContact CD2-CG2 3.53Å; L567-T571 PolarHBondContact O-N 3.43Å; L567-T571 PolarHBondContact O-OG1 2.81Å; L567-T571 VanDerWaalsContact O-OG1 3.08Å; T568-T571 PolarHBondContact O-N 3.38Å; T571-Y574 PolarHBondContact O-N 2.9Å; T571-Q575 PolarHBondContact O-N 2.82Å; T571-Q575 VanDerWaalsContact O-N 3.07Å |
| 572 | Y | 91.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.9 | -39 | 176.1 | -171.2 | -135.2 | 0 | 0 | 0 | 112.2 | F511 Y541 F544 I549 S550 L552 L553 T568 M570 Q575 I576 | F511-Y572 HydrophobicContact CD1-CE1 4.47Å; F511-Y572 AromaticContact CE1-CD1 3.84Å; F511-Y572 HydrophobicContact CE1-CD1 3.84Å; F511-Y572 HydrophobicContact CE1-CE1 4.13Å; F511-Y572 HydrophobicContact CZ-CD1 4.28Å; Y541-Y572 AromaticContact CD1-CE1 3.74Å; Y541-Y572 HydrophobicContact CD1-CE1 3.74Å; Y541-Y572 AromaticContact CE1-CE1 3.77Å; Y541-Y572 HydrophobicContact CE1-CE1 3.77Å; F544-Y572 HydrophobicContact CD2-CE1 4.4Å; F544-Y572 WeakPolarHBondContact CD2-OH 3.33Å; I549-Y572 HydrophobicContact CG2-CE2 3.93Å; S550-Y572 VanDerWaalsContact O-CE2 3.25Å; S550-Y572 WeakPolarHBondContact O-CE2 3.41Å; L552-Y572 HydrophobicContact CB-CD2 3.8Å; L552-Y572 HydrophobicContact CB-CG 4.18Å; L553-Y572 HydrophobicContact CD1-CD1 3.53Å; L553-Y572 HydrophobicContact CD1-CE1 4.42Å; L553-Y572 HydrophobicContact CD1-CG 3.59Å; T568-Y572 PolarHBondContact O-N 2.72Å; T568-Y572 VanDerWaalsContact O-N 3.07Å; M570-Y572 VanDerWaalsContact C-N 3.32Å; M570-Y572 PolarHBondContact O-N 2.87Å; Y572-Q575 WeakPolarHBondContact O-CB 3.43Å; Y572-Q575 PolarHBondContact O-N 2.75Å; Y572-I576 HydrophobicContact CD1-CD1 3.76Å; Y572-I576 HydrophobicContact CD2-CD1 4.29Å; Y572-I576 HydrophobicContact CE1-CD1 3.68Å; Y572-I576 HydrophobicContact CE2-CD1 4.19Å; Y572-I576 HydrophobicContact CE2-CG1 4.38Å; Y572-I576 HydrophobicContact CG-CD1 4.08Å; Y572-I576 VanDerWaalsContact O-CG1 3.28Å; Y572-I576 WeakPolarHBondContact O-CG1 3.2Å; Y572-I576 PolarHBondContact O-N 2.84Å |
| 573 | L | 89.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.1 | -30.5 | 176.2 | -72.9 | 168.4 | 0 | 0 | 0 | 113.3 | L482 F501 W505 F511 I514 V569 M570 I576 R577 | L482-L573 HydrophobicContact CD1-CB 4.22Å; L482-L573 HydrophobicContact CD2-CB 3.9Å; L482-L573 HydrophobicContact CG-CB 4.35Å; F501-L573 HydrophobicContact CD1-CD1 3.78Å; F501-L573 HydrophobicContact CE1-CD1 3.91Å; W505-L573 HydrophobicContact CD2-CD1 3.92Å; W505-L573 HydrophobicContact CE3-CD1 4.17Å; W505-L573 HydrophobicContact CE3-CD2 4.12Å; W505-L573 HydrophobicContact CH2-CD1 3.67Å; W505-L573 HydrophobicContact CH2-CD2 3.48Å; W505-L573 VanDerWaalsContact CH2-CD2 3.48Å; W505-L573 HydrophobicContact CH2-CG 4.24Å; W505-L573 HydrophobicContact CZ2-CD1 3.37Å; W505-L573 HydrophobicContact CZ2-CD2 4.12Å; W505-L573 HydrophobicContact CZ2-CG 4.41Å; W505-L573 HydrophobicContact CZ3-CD1 4.07Å; W505-L573 HydrophobicContact CZ3-CD2 3.5Å; W505-L573 HydrophobicContact CZ3-CG 4.4Å; F511-L573 HydrophobicContact CD1-CD2 4.15Å; F511-L573 HydrophobicContact CE1-CD2 3.72Å; F511-L573 HydrophobicContact CE1-CG 4.12Å; I514-L573 HydrophobicContact CD1-CD2 4.19Å; V569-L573 HydrophobicContact CG1-CD1 3.7Å; V569-L573 HydrophobicContact CG1-CG 4.49Å; V569-L573 WeakPolarHBondContact O-CB 3.39Å; V569-L573 WeakPolarHBondContact O-CD1 3.5Å; V569-L573 WeakPolarHBondContact O-CG 3.3Å; V569-L573 PolarHBondContact O-N 2.77Å; M570-L573 CarbonylContact O-C 3.58Å; M570-L573 PolarHBondContact O-N 3.46Å; M570-L573 VanDerWaalsContact O-N 3.15Å; L573-I576 HydrophobicContact CD2-CD1 4.28Å; L573-R577 VanDerWaalsContact O-CB 3.31Å; L573-R577 WeakPolarHBondContact O-CB 3.37Å; L573-R577 PolarHBondContact O-N 2.93Å |
| 574 | Y | 85.6 | Confident | 78.4 | Confident | 51 Ų | 51 | 44 Ų | 44 | 20% | 0.2 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -44.3 | 168.2 | -77.1 | -61.5 | 0 | 0 | 0 | 111.5 | A478 S479 L482 M570 T571 I576 R577 A578 M1118 | A478-Y574 WeakPolarHBondContact CB-OH 3.42Å; A478-Y574 PolarHBondContact O-OH 3.01Å; S479-Y574 PolarHBondContact N-OH 2.96Å; L482-Y574 HydrophobicContact CB-CE1 3.99Å; L482-Y574 HydrophobicContact CD1-CD1 4.09Å; L482-Y574 HydrophobicContact CD1-CE1 4.36Å; L482-Y574 HydrophobicContact CD2-CD1 3.9Å; L482-Y574 HydrophobicContact CD2-CD2 3.96Å; L482-Y574 HydrophobicContact CD2-CE1 3.85Å; L482-Y574 HydrophobicContact CD2-CE2 3.93Å; L482-Y574 HydrophobicContact CD2-CG 3.95Å; L482-Y574 HydrophobicContact CG-CD1 4.41Å; L482-Y574 HydrophobicContact CG-CE1 4.29Å; M570-Y574 HydrophobicContact CB-CE2 4.39Å; M570-Y574 WeakPolarHBondContact O-CD2 3.2Å; M570-Y574 PolarHBondContact O-N 3.04Å; T571-Y574 PolarHBondContact O-N 2.9Å; Y574-I576 VanDerWaalsContact C-N 3.33Å; Y574-I576 PolarHBondContact O-N 2.9Å; Y574-R577 PolarHBondContact O-N 2.98Å; Y574-A578 WeakPolarHBondContact O-CB 3.46Å; Y574-A578 PolarHBondContact O-N 3.36Å; Y574-M1118 HydrophobicContact CE2-CE 4.29Å |
| 575 | Q | 82.9 | Confident | 76.3 | Confident | 67 Ų | 67 | 49.5 Ų | 49.5 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 176.3 | -165.1 | -175.7 | 4 | 0 | 0 | 111.5 | I549 S550 T571 Y572 H579 | I549-Q575 HydrophobicContact CG2-CG 4.08Å; S550-Q575 PolarHBondContact O-OE1 2.84Å; S550-Q575 PolarHBondContact OG-NE2 3.06Å; T571-Q575 PolarHBondContact O-N 2.82Å; T571-Q575 VanDerWaalsContact O-N 3.07Å; Y572-Q575 WeakPolarHBondContact O-CB 3.43Å; Y572-Q575 PolarHBondContact O-N 2.75Å; Q575-H579 WeakPolarHBondContact O-CB 3.49Å; Q575-H579 PolarHBondContact O-N 2.97Å; Q575-H579 VanDerWaalsContact O-N 3.12Å |
| 576 | I | 88.7 | Confident | 73.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -48 | 173.4 | -68.9 | 163.2 | 0 | 0 | 0 | 111 | W485 F511 I514 F544 I549 Y572 L573 Y574 A578 H579 F580 | W485-I576 HydrophobicContact CH2-CG2 4.24Å; F511-I576 HydrophobicContact CD1-CD1 4.29Å; F511-I576 HydrophobicContact CE1-CD1 4.36Å; I514-I576 HydrophobicContact CG2-CG2 3.78Å; F544-I576 HydrophobicContact CD2-CD1 3.94Å; F544-I576 HydrophobicContact CD2-CG1 4.45Å; F544-I576 HydrophobicContact CE1-CG2 4.14Å; F544-I576 HydrophobicContact CE2-CD1 3.66Å; F544-I576 HydrophobicContact CE2-CG1 4.41Å; F544-I576 HydrophobicContact CZ-CD1 3.99Å; F544-I576 HydrophobicContact CZ-CG1 4.45Å; F544-I576 HydrophobicContact CZ-CG2 4.21Å; I549-I576 HydrophobicContact CD1-CG1 4.23Å; I549-I576 HydrophobicContact CG2-CG1 4.06Å; Y572-I576 HydrophobicContact CD1-CD1 3.76Å; Y572-I576 HydrophobicContact CD2-CD1 4.29Å; Y572-I576 HydrophobicContact CE1-CD1 3.68Å; Y572-I576 HydrophobicContact CE2-CD1 4.19Å; Y572-I576 HydrophobicContact CE2-CG1 4.38Å; Y572-I576 HydrophobicContact CG-CD1 4.08Å; Y572-I576 VanDerWaalsContact O-CG1 3.28Å; Y572-I576 WeakPolarHBondContact O-CG1 3.2Å; Y572-I576 PolarHBondContact O-N 2.84Å; L573-I576 HydrophobicContact CD2-CD1 4.28Å; Y574-I576 VanDerWaalsContact C-N 3.33Å; Y574-I576 PolarHBondContact O-N 2.9Å; I576-A578 PolarHBondContact O-N 3.2Å; I576-H579 PolarHBondContact O-N 3.03Å; I576-F580 HydrophobicContact CG2-CD2 3.84Å; I576-F580 HydrophobicContact CG2-CE2 3.95Å; I576-F580 VanDerWaalsContact O-CD2 3.25Å; I576-F580 WeakPolarHBondContact O-CD2 3.24Å; I576-F580 PolarHBondContact O-N 3.13Å |
| 577 | R | 85 | Confident | 71.5 | Confident | 40 Ų | 40 | 53 Ų | 53 | 15% | 0.151 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60 | -46.8 | 179.1 | 176.1 | 175.5 | 169 | 178.2 | -3.4 | 111.6 | S481 L482 W485 L573 Y574 F580 S581 E583 | S481-R577 PolarHBondContact OG-NH1 2.99Å; L482-R577 HydrophobicContact CD1-CB 4.02Å; W485-R577 HydrophobicContact CD2-CB 4.2Å; W485-R577 HydrophobicContact CD2-CG 3.86Å; W485-R577 HydrophobicContact CE3-CB 4.03Å; W485-R577 HydrophobicContact CE3-CG 4.19Å; W485-R577 HydrophobicContact CG-CG 4.31Å; W485-R577 HydrophobicContact CH2-CB 3.88Å; W485-R577 HydrophobicContact CH2-CG 4.38Å; W485-R577 HydrophobicContact CZ2-CB 4.01Å; W485-R577 HydrophobicContact CZ2-CG 4.02Å; W485-R577 HydrophobicContact CZ3-CB 3.87Å; W485-R577 HydrophobicContact CZ3-CG 4.44Å; L573-R577 VanDerWaalsContact O-CB 3.31Å; L573-R577 WeakPolarHBondContact O-CB 3.37Å; L573-R577 PolarHBondContact O-N 2.93Å; Y574-R577 PolarHBondContact O-N 2.98Å; R577-F580 PolarHBondContact O-N 2.93Å; R577-S581 WeakPolarHBondContact CG-OG 3.31Å; R577-S581 WeakPolarHBondContact O-CB 3.47Å; R577-S581 PolarHBondContact O-N 3.22Å; R577-S581 PolarHBondContact O-OG 3.35Å; R577-E583 IonicContact CZ-OE2 3.54Å; R577-E583 IonicContact NE-OE2 2.67Å; R577-E583 PolarHBondContact NE-OE2 2.69Å; R577-E583 IonicContact NH2-OE1 3.15Å; R577-E583 IonicContact NH2-OE2 3.94Å; R577-E583 PolarHBondContact NH2-OE2 3.15Å |
| 578 | A | 80.2 | Confident | 69.3 | Low | 50 Ų | 50 | 56 Ų | 56 | 41% | 0.413 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y574 I576 F580 G582 | Y574-A578 WeakPolarHBondContact O-CB 3.46Å; Y574-A578 PolarHBondContact O-N 3.36Å; I576-A578 PolarHBondContact O-N 3.2Å; A578-F580 VanDerWaalsContact C-N 3.33Å; A578-F580 PolarHBondContact O-N 3.14Å; A578-G582 PolarHBondContact O-N 2.79Å; A578-G582 VanDerWaalsContact O-N 3.09Å |
| 579 | H | 78.5 | Confident | 67.1 | Low | 69 Ų | 69 | 61.6 Ų | 61.6 | 32% | 0.319 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.6 | -39.8 | -179.8 | -173.6 | -96.8 | 0 | 0 | 0 | 113.6 | L547 I549 Q575 I576 | L547-H579 PolarHBondContact O-CE1 2.75Å; L547-H579 PolarHBondContact O-NE2 3.09Å; I549-H579 HydrophobicContact CD1-CB 3.97Å; I549-H579 HydrophobicContact CG1-CB 3.9Å; Q575-H579 WeakPolarHBondContact O-CB 3.49Å; Q575-H579 PolarHBondContact O-N 2.97Å; Q575-H579 VanDerWaalsContact O-N 3.12Å; I576-H579 PolarHBondContact O-N 3.03Å |
| 580 | F | 79 | Confident | 64.5 | Low | 41 Ų | 41 | 68.9 Ų | 68.9 | 18% | 0.18 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -92 | -29 | -178.7 | -69.1 | -63.6 | 0 | 0 | 0 | 115.1 | F518 F544 L547 I549 I576 R577 A578 | F518-F580 HydrophobicContact CB-CD1 3.44Å; F518-F580 VanDerWaalsContact CB-CD1 3.44Å; F518-F580 HydrophobicContact CB-CE1 3.49Å; F518-F580 VanDerWaalsContact CB-CE1 3.49Å; F518-F580 HydrophobicContact CB-CG 4.03Å; F518-F580 HydrophobicContact CB-CZ 4.11Å; F518-F580 HydrophobicContact CD1-CB 3.98Å; F518-F580 HydrophobicContact CD1-CD1 4.1Å; F518-F580 HydrophobicContact CD1-CG 4.18Å; F518-F580 HydrophobicContact CD2-CB 3.78Å; F518-F580 AromaticContact CD2-CD1 3.86Å; F518-F580 HydrophobicContact CD2-CD1 3.86Å; F518-F580 AromaticContact CD2-CD2 3.66Å; F518-F580 HydrophobicContact CD2-CD2 3.66Å; F518-F580 HydrophobicContact CD2-CE1 4.34Å; F518-F580 HydrophobicContact CD2-CE2 4.18Å; F518-F580 AromaticContact CD2-CG 3.49Å; F518-F580 HydrophobicContact CD2-CG 3.49Å; F518-F580 VanDerWaalsContact CD2-CG 3.49Å; F518-F580 HydrophobicContact CD2-CZ 4.48Å; F518-F580 HydrophobicContact CE1-CB 3.96Å; F518-F580 HydrophobicContact CE2-CB 3.76Å; F518-F580 HydrophobicContact CE2-CD2 4.11Å; F518-F580 AromaticContact CE2-CG 3.96Å; F518-F580 HydrophobicContact CE2-CG 3.96Å; F518-F580 HydrophobicContact CG-CB 3.9Å; F518-F580 AromaticContact CG-CD1 3.53Å; F518-F580 HydrophobicContact CG-CD1 3.53Å; F518-F580 HydrophobicContact CG-CD2 4.22Å; F518-F580 HydrophobicContact CG-CE1 4.05Å; F518-F580 AromaticContact CG-CG 3.62Å; F518-F580 HydrophobicContact CG-CG 3.62Å; F518-F580 HydrophobicContact CZ-CB 3.86Å; F518-F580 HydrophobicContact CZ-CG 4.48Å; F544-F580 HydrophobicContact CD1-CE2 4.02Å; F544-F580 HydrophobicContact CD1-CZ 4.28Å; F544-F580 AromaticContact CE1-CE2 3.77Å; F544-F580 HydrophobicContact CE1-CE2 3.77Å; F544-F580 HydrophobicContact CE1-CZ 4.25Å; L547-F580 HydrophobicContact CD1-CE1 3.99Å; L547-F580 HydrophobicContact CD1-CZ 3.63Å; I549-F580 HydrophobicContact CD1-CD2 4.45Å; I549-F580 HydrophobicContact CD1-CE2 3.72Å; I549-F580 HydrophobicContact CD1-CZ 4.11Å; I576-F580 HydrophobicContact CG2-CD2 3.84Å; I576-F580 HydrophobicContact CG2-CE2 3.95Å; I576-F580 VanDerWaalsContact O-CD2 3.25Å; I576-F580 WeakPolarHBondContact O-CD2 3.24Å; I576-F580 PolarHBondContact O-N 3.13Å; R577-F580 PolarHBondContact O-N 2.93Å; A578-F580 VanDerWaalsContact C-N 3.33Å; A578-F580 PolarHBondContact O-N 3.14Å |
| 581 | S | 75.7 | Confident | 62.1 | Low | 44 Ų | 44 | 74.3 Ų | 74.3 | 31% | 0.308 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -89.2 | -25.8 | -175 | -45.5 | 0 | 0 | 0 | 0 | 112.6 | W485 R577 E583 | W485-S581 PolarHBondContact NE1-OG 2.77Å; R577-S581 WeakPolarHBondContact CG-OG 3.31Å; R577-S581 WeakPolarHBondContact O-CB 3.47Å; R577-S581 PolarHBondContact O-N 3.22Å; R577-S581 PolarHBondContact O-OG 3.35Å; S581-E583 PolarHBondContact O-N 2.69Å; S581-E583 VanDerWaalsContact O-N 3.13Å |
| 582 | G | 56.6 | Low | 59.7 | Low | 38 Ų | 38 | 77 Ų | 77 | 39% | 0.392 | 42% | 0.419 | S | S | . | . | trans | 67.9 | 3.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A578 E584 | A578-G582 PolarHBondContact O-N 2.79Å; A578-G582 VanDerWaalsContact O-N 3.09Å; G582-E584 PolarHBondContact O-N 2.89Å; G582-E584 VanDerWaalsContact O-N 3.11Å | ||
| 583 | E | 46.8 | Very low | 57 | Low | 112 Ų | 112 | 84 Ų | 84 | 52% | 0.523 | 46% | 0.456 | S | S | . | . | trans | -67.5 | 98.2 | 161.3 | -67.5 | 177.4 | 122.9 | 0 | 0 | 108 | R577 S581 | R577-E583 IonicContact CZ-OE2 3.54Å; R577-E583 IonicContact NE-OE2 2.67Å; R577-E583 PolarHBondContact NE-OE2 2.69Å; R577-E583 IonicContact NH2-OE1 3.15Å; R577-E583 IonicContact NH2-OE2 3.94Å; R577-E583 PolarHBondContact NH2-OE2 3.15Å; S581-E583 PolarHBondContact O-N 2.69Å; S581-E583 VanDerWaalsContact O-N 3.13Å | ||
| 584 | E | 40.2 | Very low | 54.2 | Low | 123 Ų | 123 | 88.5 Ų | 88.5 | 58% | 0.575 | 49% | 0.488 | S | S | * | . | trans | -63.2 | 151.7 | 159.7 | -64.7 | -167.3 | 127.1 | 0 | 0 | 109.5 | G582 N586 M1236 | G582-E584 PolarHBondContact O-N 2.89Å; G582-E584 VanDerWaalsContact O-N 3.11Å; E584-N586 VanDerWaalsContact C-N 3.29Å; E584-N586 PolarHBondContact O-N 2.89Å; E584-M1236 VanDerWaalsContact CD-CE 3.46Å; E584-M1236 HydrophobicContact CG-CE 4.42Å; E584-M1236 WeakPolarHBondContact OE1-CE 3.18Å; E584-M1236 WeakPolarHBondContact OE2-CE 3.11Å | ||
| 585 | L | 33.8 | Very low | 52 | Low | 118 Ų | 118 | 91.2 Ų | 91.2 | 62% | 0.618 | 51% | 0.514 | S | S | * | . | trans | -67.5 | 97.6 | 163 | -72.9 | 168.2 | 0 | 0 | 0 | 106.9 | V587 E1128 | L585-V587 PolarHBondContact O-N 2.73Å; L585-E1128 HydrophobicContact CD1-CG 4.11Å | ||
| 586 | N | 30.8 | Very low | 50 | Low | 131 Ų | 131 | 99.1 Ų | 99.1 | 70% | 0.701 | 54% | 0.541 | S | S | * | . | trans | -60.4 | 103.3 | 177.4 | -79.6 | -71.2 | 0 | 0 | 0 | 108.9 | E584 V588 | E584-N586 VanDerWaalsContact C-N 3.29Å; E584-N586 PolarHBondContact O-N 2.89Å; N586-V588 HydrophobicContact CB-CG2 4.01Å; N586-V588 WeakPolarHBondContact O-CG2 3.25Å; N586-V588 PolarHBondContact O-N 3.47Å | ||
| 587 | V | 33.9 | Very low | 47.1 | Very low | 110 Ų | 110 | 104.9 Ų | 104.9 | 67% | 0.667 | 58% | 0.581 | S | S | * | * | trans | -69.5 | 82.6 | 166.2 | -178.2 | 0 | 0 | 0 | 0 | 107.3 | L585 Q589 | L585-V587 PolarHBondContact O-N 2.73Å; V587-Q589 PolarHBondContact O-N 2.89Å | ||
| 588 | V | 33.7 | Very low | 44.5 | Very low | 103 Ų | 103 | 108.7 Ų | 108.7 | 62% | 0.624 | 61% | 0.609 | S | S | * | * | trans | -69.7 | 101 | -177 | -179.4 | 0 | 0 | 0 | 0 | 109 | N586 I590 | N586-V588 HydrophobicContact CB-CG2 4.01Å; N586-V588 WeakPolarHBondContact O-CG2 3.25Å; N586-V588 PolarHBondContact O-N 3.47Å; V588-I590 HydrophobicContact CG1-CD1 4.27Å; V588-I590 HydrophobicContact CG1-CG1 4Å; V588-I590 PolarHBondContact O-N 3.24Å | ||
| 589 | Q | 38.4 | Very low | 42.1 | Very low | 163 Ų | 163 | 116.2 Ų | 116.2 | 76% | 0.762 | 63% | 0.628 | S | S | * | * | trans | -60.9 | 105.1 | 163.3 | -76.2 | -178.9 | -90.3 | 0 | 0 | 109.6 | V587 | V587-Q589 PolarHBondContact O-N 2.89Š| ||
| 590 | I | 34.9 | Very low | 39.8 | Very low | 154 Ų | 154 | 121.6 Ų | 121.6 | 79% | 0.79 | 65% | 0.651 | S | S | * | * | trans | -101.3 | 93.3 | 155.9 | -69.6 | 165 | 0 | 0 | 0 | 106.5 | V588 | V588-I590 HydrophobicContact CG1-CD1 4.27Å; V588-I590 HydrophobicContact CG1-CG1 4Å; V588-I590 PolarHBondContact O-N 3.24Å | ||
| 591 | E | 36.9 | Very low | 37.4 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 54% | 0.542 | 68% | 0.682 | S | S | . | * | trans | -74.2 | 130.1 | 169.2 | -84.4 | -166.9 | -149.5 | 0 | 0 | 111.4 | S594 | E591-S594 PolarHBondContact OE2-N 2.96Š| ||
| 592 | A | 30.9 | Very low | 35.3 | Very low | 87 Ų | 87 | 127.3 Ų | 127.3 | 72% | 0.719 | 70% | 0.7 | S | S | * | * | -137 | 112.6 | 121.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 593 | N | 33.9 | Very low | 33.9 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | S | Bend | cis | -164.4 | 133.7 | 17.1 | 11.7 | -114.2 | 0 | 0 | 0 | 111.5 | ||
| 594 | S | 31.4 | Very low | 33.1 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | trans | -165.9 | 98.6 | 138.1 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | E591 | E591-S594 PolarHBondContact OE2-N 2.96Š| ||
| 595 | S | 40.4 | Very low | 32.9 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -58.9 | 146.4 | -175.8 | 60 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 596 | R | 40.1 | Very low | 33.1 | Very low | 234 Ų | 234 | 139.4 Ų | 139.4 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | 72.8 | 87.4 | 154.1 | -166 | -173.5 | -172.9 | 174.2 | 2.1 | 116.6 | ||||
| 597 | S | 28.5 | Very low | 33.3 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -123.6 | 122.8 | 136.5 | -168.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 598 | T | 30.6 | Very low | 33.5 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | trans | -117.5 | 119.9 | 173.1 | -55.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 599 | Y | 28.8 | Very low | 33.5 | Very low | 208 Ų | 208 | 144 Ų | 144 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | trans | -117.5 | 123.9 | 168.9 | -152.8 | -99.8 | 0 | 0 | 0 | 109.7 | ||||
| 600 | K | 29.6 | Very low | 33.1 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -89 | 128.2 | 167.8 | -81.3 | -80.5 | -170 | 168.5 | 0 | 106.7 | G602 | K600-G602 PolarHBondContact O-N 2.69Š|
| 601 | V | 30.2 | Very low | 33.6 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 132.9 | 166.5 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | ||
| 602 | G | 30.6 | Very low | 33.4 | Very low | 67 Ų | 67 | 140.9 Ų | 140.9 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 157.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K600 | K600-G602 PolarHBondContact O-N 2.69Š|
| 603 | D | 27.6 | Very low | 33.7 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 159.6 | 176.2 | -143.4 | -30.4 | 0 | 0 | 0 | 111.3 | ||
| 604 | F | 30.1 | Very low | 33.8 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -106.5 | -2.4 | -166.3 | -171.5 | -111.4 | 0 | 0 | 0 | 115.4 | T606 | F604-T606 PolarHBondContact O-N 3.12Š|
| 605 | E | 36.4 | Very low | 34.3 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -83.5 | 7.6 | -167.7 | -62.9 | -159.3 | 147.7 | 0 | 0 | 117.1 | ||
| 606 | T | 38.2 | Very low | 34.3 | Very low | 115 Ų | 115 | 146.3 Ų | 146.3 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -120.8 | -21.5 | -171.5 | 56.6 | 0 | 0 | 0 | 0 | 118.5 | F604 T608 | F604-T606 PolarHBondContact O-N 3.12Å; T606-T608 PolarHBondContact O-N 3.11Å |
| 607 | D | 34.7 | Very low | 34.2 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | -101.2 | 59.4 | -172.9 | -72.1 | 0.4 | 0 | 0 | 0 | 112.5 | ||||
| 608 | T | 37.1 | Very low | 34.7 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | trans | -95.7 | 133.8 | 161.6 | 42.7 | 0 | 0 | 0 | 0 | 110.4 | T606 | T606-T608 PolarHBondContact O-N 3.11Š| ||
| 609 | N | 35 | Very low | 35.2 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 87% | 0.866 | 74% | 0.738 | S | S | * | * | trans | 69.6 | 105.7 | 179.2 | -51.3 | -32.7 | 0 | 0 | 0 | 116.8 | ||||
| 610 | A | 30.3 | Very low | 35.6 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | -172.5 | 144.3 | 107.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 611 | S | 43.5 | Very low | 36.1 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | trans | -76.4 | 143.7 | 157.3 | -169.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 612 | I | 34 | Very low | 36.3 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | trans | -116.4 | 124.8 | 169.4 | -81.6 | 178.1 | 0 | 0 | 0 | 108.3 | ||||
| 613 | D | 36.7 | Very low | 36.6 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 66% | 0.663 | 72% | 0.72 | S | S | * | * | trans | -78.6 | 146.9 | -167.1 | -151.6 | -11.2 | 0 | 0 | 0 | 113 | D615 K616 | D613-D615 PolarHBondContact O-N 3.43Å; D613-K616 PolarHBondContact O-N 3.48Å | ||
| 614 | Q | 35.2 | Very low | 37 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 61% | 0.612 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -70.3 | -29.5 | -159 | -171.9 | 162.4 | -1.2 | 0 | 0 | 113.3 | K616 F617 Y618 | Q614-K616 PolarHBondContact O-N 2.91Å; Q614-F617 PolarHBondContact O-N 2.93Å; Q614-Y618 HydrophobicContact CG-CD2 4.45Å; Q614-Y618 HydrophobicContact CG-CE2 3.94Å; Q614-Y618 WeakPolarHBondContact O-CD2 3.26Å |
| 615 | D | 43.1 | Very low | 37.3 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 67% | 0.674 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -75.7 | -21 | -174.7 | -69.3 | -28.3 | 0 | 0 | 0 | 114.2 | D613 F617 Y618 A619 | D613-D615 PolarHBondContact O-N 3.43Å; D615-F617 VanDerWaalsContact C-N 3.3Å; D615-F617 PolarHBondContact O-N 2.62Å; D615-Y618 PolarHBondContact O-N 3.33Å; D615-A619 PolarHBondContact O-N 3.49Å |
| 616 | K | 40.2 | Very low | 37 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 73% | 0.73 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -68 | -31 | 173 | -76 | -173.1 | 176.5 | 177.7 | 0 | 112.4 | D613 Q614 Y618 A619 E620 | D613-K616 PolarHBondContact O-N 3.48Å; Q614-K616 PolarHBondContact O-N 2.91Å; K616-Y618 VanDerWaalsContact C-N 3.34Å; K616-A619 PolarHBondContact O-N 2.81Å; K616-E620 PolarHBondContact O-N 2.87Å |
| 617 | F | 37.9 | Very low | 36.5 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 57% | 0.57 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -69 | -31.9 | 177.2 | -171.4 | -102.2 | 0 | 0 | 0 | 112.5 | Q614 D615 L621 | Q614-F617 PolarHBondContact O-N 2.93Å; D615-F617 VanDerWaalsContact C-N 3.3Å; D615-F617 PolarHBondContact O-N 2.62Å; F617-L621 HydrophobicContact CD1-CD1 4.16Å; F617-L621 HydrophobicContact CE1-CD1 3.86Å; F617-L621 HydrophobicContact CZ-CD1 4.48Å |
| 618 | Y | 39.8 | Very low | 36 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 51% | 0.514 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -81.8 | -25.3 | 177.5 | -70.2 | -67 | 0 | 0 | 0 | 113.8 | Q614 D615 K616 L621 | Q614-Y618 HydrophobicContact CG-CD2 4.45Å; Q614-Y618 HydrophobicContact CG-CE2 3.94Å; Q614-Y618 WeakPolarHBondContact O-CD2 3.26Å; D615-Y618 PolarHBondContact O-N 3.33Å; K616-Y618 VanDerWaalsContact C-N 3.34Å; Y618-L621 HydrophobicContact CD1-CD1 4.44Å |
| 619 | A | 40.8 | Very low | 35.5 | Very low | 62 Ų | 62 | 138 Ų | 138 | 51% | 0.512 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -64.8 | -47.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D615 K616 L621 N622 | D615-A619 PolarHBondContact O-N 3.49Å; K616-A619 PolarHBondContact O-N 2.81Å; A619-L621 PolarHBondContact O-N 2.95Å; A619-N622 PolarHBondContact O-N 3.15Å |
| 620 | E | 36.4 | Very low | 35 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -68.3 | -20.2 | -175.1 | -160.8 | 167.4 | -139.6 | 0 | 0 | 113.5 | K616 | K616-E620 PolarHBondContact O-N 2.87Å |
| 621 | L | 39.3 | Very low | 34.8 | Very low | 104 Ų | 104 | 139 Ų | 139 | 55% | 0.545 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.9 | -16.5 | 176.3 | -76.4 | 170.8 | 0 | 0 | 0 | 114.7 | F617 Y618 A619 | F617-L621 HydrophobicContact CD1-CD1 4.16Å; F617-L621 HydrophobicContact CE1-CD1 3.86Å; F617-L621 HydrophobicContact CZ-CD1 4.48Å; Y618-L621 HydrophobicContact CD1-CD1 4.44Å; A619-L621 PolarHBondContact O-N 2.95Å |
| 622 | N | 35.3 | Very low | 33.9 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -27.8 | -178.2 | -90.6 | -35.1 | 0 | 0 | 0 | 114.1 | A619 V624 | A619-N622 PolarHBondContact O-N 3.15Å; N622-V624 PolarHBondContact O-N 3.39Å |
| 623 | D | 37.5 | Very low | 34.3 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -80.2 | -11.8 | -174.5 | -92.1 | -24.3 | 0 | 0 | 0 | 114.5 | ||
| 624 | V | 34.5 | Very low | 33.7 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 72% | 0.715 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -87.3 | -11 | -172.6 | -173.8 | 0 | 0 | 0 | 0 | 113.3 | N622 H626 | N622-V624 PolarHBondContact O-N 3.39Å; V624-H626 VanDerWaalsContact C-N 3.27Å; V624-H626 PolarHBondContact O-N 2.96Å |
| 625 | Q | 36.4 | Very low | 33.3 | Very low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -77.6 | -6.6 | -176.2 | -152.2 | 73.1 | 96.5 | 0 | 0 | 114.2 | ||
| 626 | H | 32 | Very low | 32.5 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 78% | 0.782 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -135.9 | 76.1 | -178.2 | -88.3 | -69.6 | 0 | 0 | 0 | 114.4 | V624 | V624-H626 VanDerWaalsContact C-N 3.27Å; V624-H626 PolarHBondContact O-N 2.96Å |
| 627 | H | 25.7 | Very low | 31.8 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | -172.9 | 117.9 | 129.5 | -107.5 | 76.5 | 0 | 0 | 0 | 114.2 | |||||
| 628 | Q | 25.2 | Very low | 31.3 | Very low | 195 Ų | 195 | 136.8 Ų | 136.8 | 91% | 0.911 | 75% | 0.751 | S | S | * | * | trans | -152.8 | 97.2 | 147.8 | -87.1 | -156.8 | 4.8 | 0 | 0 | 110.8 | ||||
| 629 | V | 25.8 | Very low | 30.6 | Very low | 128 Ų | 128 | 134 Ų | 134 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -149.7 | 122.2 | 147.5 | -172.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 630 | N | 24.7 | Very low | 30.1 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | 65.6 | 157.6 | 172.6 | -101.3 | 0.8 | 0 | 0 | 0 | 116.7 | ||||
| 631 | V | 26.2 | Very low | 30.7 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | cis | -134.2 | 165.3 | 10.6 | -160.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 632 | E | 24.6 | Very low | 30.3 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -61.6 | 177.8 | 154.6 | -67.5 | -169.1 | 128.2 | 0 | 0 | 113.1 | ||||
| 633 | P | 43.9 | Very low | 30.1 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | cis | -132.5 | -160.9 | -47.2 | 36.9 | -19.2 | 0 | 0 | 0 | 111.8 | ||||
| 634 | L | 23.4 | Very low | 30.1 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | 88.5 | 136.4 | 162.5 | -70.7 | 161.5 | 0 | 0 | 0 | 119.6 | ||||
| 635 | S | 25.8 | Very low | 30.2 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -112.2 | 143.6 | 163 | 53.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 636 | S | 26.4 | Very low | 30.1 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -168.9 | 120.2 | 149.8 | -83.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 637 | T | 25.5 | Very low | 30.6 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | 56.8 | 99.5 | 147.3 | 59.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 638 | A | 28.2 | Very low | 31.2 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | 63.5 | 128.7 | 123.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 639 | G | 24.2 | Very low | 32.1 | Very low | 74 Ų | 74 | 125.9 Ų | 125.9 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | 153.9 | 81.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 640 | V | 30.8 | Very low | 32.9 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | 15.3 | 142 | 122.4 | 173.3 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 641 | P | 49 | Very low | 33.7 | Very low | 106 Ų | 106 | 126 Ų | 126 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | cis | -146.8 | -166.3 | -23.4 | 40.8 | -18.4 | 0 | 0 | 0 | 117.3 | ||||
| 642 | T | 31.1 | Very low | 34.3 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | trans | 101.2 | 123.6 | 136.5 | -74.4 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 643 | E | 32.3 | Very low | 35 | Very low | 177 Ų | 177 | 126.1 Ų | 126.1 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | 58.4 | 156.6 | 149.8 | -73.4 | 157.7 | -141.6 | 0 | 0 | 123.8 | ||||
| 644 | S | 37.5 | Very low | 34.6 | Very low | 87 Ų | 87 | 125.7 Ų | 125.7 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | cis | -172.3 | 160.7 | -22.1 | 63.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 645 | N | 35.3 | Very low | 35.2 | Very low | 164 Ų | 164 | 123.1 Ų | 123.1 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | 65.1 | 136.3 | 149.6 | -57.5 | -21 | 0 | 0 | 0 | 127.6 | ||||
| 646 | G | 35.6 | Very low | 35.6 | Very low | 83 Ų | 83 | 122.9 Ų | 122.9 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | 134.3 | 96.4 | 132.7 | 0 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 647 | A | 40.9 | Very low | 36 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | 51.6 | 136.3 | 136.5 | 0 | 0 | 0 | 0 | 0 | 131.8 | ||||
| 648 | E | 39.6 | Very low | 36.4 | Very low | 196 Ų | 196 | 124.9 Ų | 124.9 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | trans | 74.9 | 129.6 | 134 | -79.9 | -174.4 | 146.9 | 0 | 0 | 132.8 | ||||
| 649 | A | 43.2 | Very low | 36.6 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | 87 | 124.6 | 128 | 0 | 0 | 0 | 0 | 0 | 131.6 | |||||
| 650 | A | 43.2 | Very low | 37 | Very low | 95 Ų | 95 | 126 Ų | 126 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | 83.7 | 123.2 | 131.3 | 0 | 0 | 0 | 0 | 0 | 131.9 | ||||
| 651 | E | 40.7 | Very low | 37.2 | Very low | 188 Ų | 188 | 126.8 Ų | 126.8 | 88% | 0.879 | 75% | 0.749 | S | S | * | * | trans | 74.5 | 137.6 | 130.6 | -72.1 | 175.7 | -163.7 | 0 | 0 | 133.7 | ||||
| 652 | E | 39.9 | Very low | 36.9 | Very low | 174 Ų | 174 | 128.8 Ų | 128.8 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | 77.4 | 132.4 | 141.8 | -99.2 | -172 | -172.6 | 0 | 0 | 134.9 | ||||
| 653 | E | 38.8 | Very low | 38.2 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 59% | 0.593 | 75% | 0.754 | S | S | * | * | trans | 69.9 | 142.9 | 136.6 | -107.4 | -144 | 176.3 | 0 | 0 | 136 | ||||
| 654 | T | 34.3 | Very low | 38.2 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 59% | 0.589 | 76% | 0.756 | S | S | * | * | trans | 71.6 | 124.7 | 142.5 | 34.9 | 0 | 0 | 0 | 0 | 136.5 | ||||
| 655 | T | 36.6 | Very low | 38 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | trans | 60.2 | 0 | 135.5 | 33.5 | 0 | 0 | 0 | 0 | 136.9 | L378 | L378-T655 HydrophobicContact CD1-CG2 4.14Š| ||
| 656 | E | 34.4 | Very low | 38.1 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 47% | 0.467 | 76% | 0.758 | S | S | . | * | 0 | 0 | 0 | -90.2 | -73.7 | 74.6 | 0 | 0 | 128.5 | Y377 | Y377-E656 WeakPolarHBondContact CE1-OE1 3.43Å; Y377-E656 PolarHBondContact OH-OE1 2.85Å | |||
| 657 | Q | 34.9 | Very low | 38.4 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | 0 | -134.1 | 0 | -160.1 | 140.4 | 90.6 | 0 | 0 | 122 | Y377 | Y377-Q657 PolarHBondContact OH-O 3.44Š| |||
| 658 | Q | 33.4 | Very low | 37.9 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 63% | 0.626 | 72% | 0.724 | S | S | * | * | trans | -162 | 163.4 | -152.8 | -155 | 179.7 | -12.8 | 0 | 0 | 122.8 | ||||
| 659 | V | 32.6 | Very low | 37.6 | Very low | 138 Ų | 138 | 120.2 Ų | 120.2 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | trans | 90.2 | 156.1 | 159.8 | -169.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 660 | G | 32.6 | Very low | 36.8 | Very low | 70 Ų | 70 | 118.7 Ų | 118.7 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | cis | 159.8 | 156 | -18.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 661 | V | 34.7 | Very low | 36.1 | Very low | 156 Ų | 156 | 119.9 Ų | 119.9 | 95% | 0.945 | 70% | 0.704 | S | S | * | * | trans | 99.5 | 152.8 | 156.4 | -169.3 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 662 | D | 42.7 | Very low | 35.5 | Very low | 148 Ų | 148 | 118.4 Ų | 118.4 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | -152.1 | 0 | -174.2 | -159.6 | 23.8 | 0 | 0 | 0 | 114.2 | ||||
| 663 | P | 59.6 | Low | 34.8 | Very low | 101 Ų | 101 | 118.3 Ų | 118.3 | 66% | 0.656 | 70% | 0.7 | S | S | * | * | 0 | -166.8 | 0 | 44.2 | -19.7 | 0 | 0 | 0 | 122.1 | |||||
| 664 | T | 31.9 | Very low | 34.1 | Very low | 142 Ų | 142 | 117.5 Ų | 117.5 | 87% | 0.871 | 71% | 0.709 | S | S | * | * | trans | 96.3 | 142.6 | 152 | 1.4 | 0 | 0 | 0 | 0 | 129.2 | ||||
| 665 | G | 32.4 | Very low | 33.9 | Very low | 61 Ų | 61 | 118.2 Ų | 118.2 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | trans | 155.6 | 155.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 666 | Y | 37.6 | Very low | 35 | Very low | 229 Ų | 229 | 118.4 Ų | 118.4 | 90% | 0.898 | 72% | 0.721 | S | S | * | * | trans | -158.4 | 0 | 178.9 | -52.7 | -73.7 | 0 | 0 | 0 | 115.1 | ||||
| 667 | P | 43.6 | Very low | 35.7 | Very low | 78 Ų | 78 | 119.7 Ų | 119.7 | 51% | 0.506 | 74% | 0.738 | S | S | . | * | 0 | -166.2 | 0 | 44.4 | -23.1 | 0 | 0 | 0 | 119.8 | R1061 D1062 | P667-R1061 PolarHBondContact O-NH1 3.26Å; P667-D1062 VanDerWaalsContact C-OD2 3.24Å | |||
| 668 | A | 30 | Very low | 35.7 | Very low | 55 Ų | 55 | 118 Ų | 118 | 46% | 0.455 | 74% | 0.738 | S | S | . | * | trans | 87.4 | 138.3 | 155 | 0 | 0 | 0 | 0 | 0 | 128.5 | D1062 S1063 | A668-D1062 VanDerWaalsContact CA-CB 3.46Å; A668-D1062 PolarHBondContact N-OD1 3.28Å; A668-D1062 VanDerWaalsContact N-OD1 3.08Å; A668-D1062 PolarHBondContact N-OD2 3.04Å; A668-D1062 VanDerWaalsContact O-CB 3.25Å; A668-D1062 WeakPolarHBondContact O-CB 3.42Å; A668-D1062 VanDerWaalsContact O-OD2 3.1Å; A668-S1063 WeakPolarHBondContact CA-O 3.34Å | ||
| 669 | A | 31.9 | Very low | 36.1 | Very low | 68 Ų | 68 | 117.7 Ų | 117.7 | 56% | 0.562 | 75% | 0.748 | S | S | * | * | trans | -115 | 165.4 | -142.7 | 0 | 0 | 0 | 0 | 0 | 126.9 | D1062 S1063 | A669-D1062 VanDerWaalsContact CA-CB 3.48Å; A669-D1062 VanDerWaalsContact CB-C 3.41Å; A669-D1062 HydrophobicContact CB-CB 3.69Å; A669-D1062 WeakPolarHBondContact CB-O 3.4Å; A669-S1063 VanDerWaalsContact CB-O 3.29Å; A669-S1063 WeakPolarHBondContact CB-O 3.11Å; A669-S1063 PolarHBondContact N-O 2.99Å | ||
| 670 | G | 27.4 | Very low | 35.9 | Very low | 68 Ų | 68 | 118.4 Ų | 118.4 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | 119.5 | 163.3 | 146.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 671 | S | 27.4 | Very low | 36.6 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | cis | -178.3 | 173.7 | -16.6 | -167 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 672 | L | 28.7 | Very low | 36.4 | Very low | 156 Ų | 156 | 124 Ų | 124 | 82% | 0.817 | 74% | 0.742 | S | S | * | * | trans | 102.7 | 133.6 | 156.1 | -70.5 | 177.9 | 0 | 0 | 0 | 127.8 | ||||
| 673 | Q | 25.6 | Very low | 35.8 | Very low | 172 Ų | 172 | 123.1 Ų | 123.1 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | 102.4 | 109.5 | 142.3 | -84.4 | -172.2 | 23.4 | 0 | 0 | 126.4 | ||||
| 674 | S | 23.8 | Very low | 34.1 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | 87.8 | 151.7 | 145.5 | 81.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 675 | S | 30.7 | Very low | 33.7 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | cis | -155.6 | -74 | -28.3 | -97 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 676 | P | 58.4 | Low | 33.3 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | trans | -135 | -179.9 | -151.8 | 39.3 | -19.9 | 0 | 0 | 0 | 117.7 | ||||
| 677 | P | 50.1 | Low | 32.6 | Very low | 128 Ų | 128 | 119.1 Ų | 119.1 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | cis | -115 | -169.6 | -10.2 | 42 | -28.2 | 0 | 0 | 0 | 114.7 | ||||
| 678 | V | 34.1 | Very low | 31.9 | Very low | 117 Ų | 117 | 122.1 Ų | 122.1 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | trans | -148.1 | 149.3 | -148.5 | 159.3 | 0 | 0 | 0 | 0 | 112.3 | L680 | V678-L680 HydrophobicContact CG1-CD1 4.41Š| ||
| 679 | P | 42.4 | Very low | 31.5 | Very low | 128 Ų | 128 | 124 Ų | 124 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | -146.2 | 154.5 | 114.8 | 35.7 | -17.8 | 0 | 0 | 0 | 118.1 | |||||
| 680 | L | 27.4 | Very low | 31.1 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | -77.8 | -177.8 | 168.8 | -84.3 | 118.6 | 0 | 0 | 0 | 112.4 | V678 | V678-L680 HydrophobicContact CG1-CD1 4.41Š| ||
| 681 | P | 48.8 | Very low | 31 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | cis | -134.8 | -163.9 | 14.8 | 43.3 | -21.8 | 0 | 0 | 0 | 114 | ||||
| 682 | R | 29.3 | Very low | 30.8 | Very low | 234 Ų | 234 | 130.5 Ų | 130.5 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | cis | -155.7 | 171.9 | 14.1 | -151.5 | 159.3 | -170.6 | 170.7 | 2.5 | 113.9 | ||||
| 683 | T | 30.6 | Very low | 30.7 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -95 | 155.7 | -167.9 | -8.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 684 | A | 24.8 | Very low | 30.5 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | 18.8 | 149.1 | 142.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 685 | L | 23.2 | Very low | 30.6 | Very low | 180 Ų | 180 | 123.8 Ų | 123.8 | 94% | 0.942 | 78% | 0.779 | S | S | * | * | -154.5 | 166.3 | 128.2 | -112.2 | 172.9 | 0 | 0 | 0 | 111.6 | |||||
| 686 | A | 22.8 | Very low | 30.4 | Very low | 89 Ų | 89 | 122.9 Ų | 122.9 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | -136.8 | -173.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 687 | A | 22.6 | Very low | 28.8 | Very low | 90 Ų | 90 | 125.4 Ų | 125.4 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | 74.2 | 91.5 | 171 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 688 | T | 28.6 | Very low | 28.4 | Very low | 142 Ų | 142 | 124.7 Ų | 124.7 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | 15.5 | 116.6 | 127.1 | 52.7 | 0 | 0 | 0 | 0 | 120 | |||||
| 689 | A | 23 | Very low | 28 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -154.7 | 99.8 | 152.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 690 | T | 23.3 | Very low | 27.3 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | 11.2 | 140.7 | 141.1 | 51.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 691 | N | 24.3 | Very low | 27.2 | Very low | 150 Ų | 150 | 125.8 Ų | 125.8 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | 87.2 | 96.2 | 141.9 | -60.7 | -11.8 | 0 | 0 | 0 | 122.4 | ||||
| 692 | S | 25.1 | Very low | 26.2 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | 61.5 | 123.2 | 113.9 | -146.8 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 693 | A | 25.6 | Very low | 26.3 | Very low | 88 Ų | 88 | 125.5 Ų | 125.5 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 95.1 | 148.3 | 135.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 694 | C | 22.2 | Very low | 26.1 | Very low | 90 Ų | 90 | 123.5 Ų | 123.5 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | trans | 87 | 103 | 154.3 | -74 | 0 | 0 | 0 | 0 | 123 | R302 | R302-C694 PolarHBondContact NH2-SG 2.64Å; R302-C694 VanDerWaalsContact NH2-SG 3.39Å | ||
| 695 | V | 25.6 | Very low | 26.3 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | 50.4 | 118.2 | 119.8 | -177.9 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 696 | A | 25.6 | Very low | 26.5 | Very low | 93 Ų | 93 | 121.8 Ų | 121.8 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -165 | 147.2 | 132.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 697 | L | 24.5 | Very low | 26.8 | Very low | 167 Ų | 167 | 124 Ų | 124 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -110.1 | 164.4 | 148.6 | -70.1 | 169.7 | 0 | 0 | 0 | 105.6 | ||||
| 698 | P | 43.3 | Very low | 27.5 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | cis | -154.4 | -160.5 | 38.4 | 41.1 | -15.6 | 0 | 0 | 0 | 116.3 | ||||
| 699 | V | 24.8 | Very low | 28 | Very low | 139 Ų | 139 | 126 Ų | 126 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | 31.2 | 143.5 | 137.4 | 158.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 700 | S | 28.3 | Very low | 28.7 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | cis | -178.3 | -179.8 | -16.7 | -166.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 701 | E | 25.8 | Very low | 28.9 | Very low | 184 Ų | 184 | 129 Ų | 129 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | 65.9 | 150.8 | 165.1 | -81.6 | -178.3 | -175.6 | 0 | 0 | 118 | ||||
| 702 | D | 26.5 | Very low | 29.1 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | cis | -155.9 | 165.5 | -12.4 | -174.4 | 23.8 | 0 | 0 | 0 | 111.3 | ||||
| 703 | R | 31.7 | Very low | 29.1 | Very low | 220 Ų | 220 | 129.9 Ų | 129.9 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | trans | 69.8 | 95.8 | 156.3 | -88.7 | 165.1 | -145.3 | -114.7 | -7.7 | 123.5 | ||||
| 704 | G | 27.1 | Very low | 29.1 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | 91 | 120.4 | 118 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 705 | G | 28.5 | Very low | 29.4 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | cis | -165.7 | -111.9 | -1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 706 | L | 26.5 | Very low | 29.3 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | cis | -178.9 | 114.8 | -13.8 | -176.3 | 86 | 0 | 0 | 0 | 107.1 | ||||
| 707 | L | 31.1 | Very low | 29.2 | Very low | 135 Ų | 135 | 140 Ų | 140 | 71% | 0.707 | 79% | 0.788 | S | S | * | * | cis | -153.7 | 166.7 | -16.5 | -70.3 | 177.3 | 0 | 0 | 0 | 105.6 | ||||
| 708 | K | 35.8 | Very low | 29.9 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | cis | -155.8 | 163.3 | 2 | -133.9 | 166.4 | -173.2 | 177.3 | 0 | 110.5 | ||||
| 709 | A | 39.3 | Very low | 28.9 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | 70.3 | 100.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 710 | N | 37.9 | Very low | 28.8 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -173.2 | 164.4 | 171.3 | -120.4 | -29.5 | 0 | 0 | 0 | 115.2 | ||||
| 711 | T | 26.9 | Very low | 28.6 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | trans | 81.9 | 154.7 | 152.3 | -42.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 712 | L | 28.9 | Very low | 28.4 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 85.3 | 120.5 | 172.6 | -55.1 | 177 | 0 | 0 | 0 | 116.6 | ||||
| 713 | D | 25.3 | Very low | 28.5 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | 87.2 | 123.4 | -0.9 | -150.9 | 39 | 0 | 0 | 0 | 120.3 | ||||
| 714 | L | 25.4 | Very low | 28.1 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | 51.5 | 150.1 | 164.8 | -69.9 | 167.4 | 0 | 0 | 0 | 120.1 | ||||
| 715 | C | 29 | Very low | 28.3 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | cis | -170.4 | 144.9 | -15.1 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 716 | E | 22.5 | Very low | 28.1 | Very low | 192 Ų | 192 | 150 Ų | 150 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -157.1 | 158.9 | 159 | -134.1 | 175.7 | -170 | 0 | 0 | 114.2 | ||||
| 717 | L | 25.1 | Very low | 28 | Very low | 154 Ų | 154 | 151.2 Ų | 151.2 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | -109.3 | -178.6 | 174.3 | -73.8 | 172.6 | 0 | 0 | 0 | 108.1 | ||||
| 718 | P | 38.1 | Very low | 27.7 | Very low | 98 Ų | 98 | 152 Ų | 152 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | cis | -153.8 | -161.8 | 20.9 | 46.6 | -24 | 0 | 0 | 0 | 118 | ||||
| 719 | Q | 22.6 | Very low | 27.3 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | 77.7 | 110.7 | 148.9 | -77.3 | 173.5 | 13.1 | 0 | 0 | 122.4 | ||||
| 720 | R | 23.2 | Very low | 26.6 | Very low | 235 Ų | 235 | 151 Ų | 151 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | 43.3 | 140.9 | 122.2 | -71.7 | -178.2 | 170.7 | 149.6 | -1.9 | 121.7 | |||||
| 721 | A | 23.5 | Very low | 26.1 | Very low | 98 Ų | 98 | 153.5 Ų | 153.5 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | 79 | 147.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 722 | E | 22.1 | Very low | 26.2 | Very low | 152 Ų | 152 | 156.6 Ų | 156.6 | 71% | 0.71 | 77% | 0.767 | S | S | * | * | cis | -143.5 | -126.5 | -8.7 | -133.3 | -172.3 | 178.3 | 0 | 0 | 114.5 | ||||
| 723 | R | 28.8 | Very low | 26.1 | Very low | 190 Ų | 190 | 156.2 Ų | 156.2 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | trans | -100.4 | -132.9 | -169.9 | -54.5 | 176.2 | -157.5 | 72 | 18 | 111.9 | ||||
| 724 | E | 22.2 | Very low | 26.2 | Very low | 171 Ų | 171 | 156.7 Ų | 156.7 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | 77.1 | 118.5 | -168.9 | -48.5 | -63.5 | 88.2 | 0 | 0 | 113.3 | ||||
| 725 | L | 31.8 | Very low | 26.4 | Very low | 137 Ų | 137 | 155.7 Ų | 155.7 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | cis | 83.2 | 137.7 | 21.7 | -158.8 | 63.7 | 0 | 0 | 0 | 115.9 | ||||
| 726 | E | 24.7 | Very low | 26.4 | Very low | 168 Ų | 168 | 157.7 Ų | 157.7 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 67.2 | 134.7 | 160.6 | -89.7 | 164.7 | -143.1 | 0 | 0 | 124.1 | ||||
| 727 | K | 24.4 | Very low | 26.6 | Very low | 183 Ų | 183 | 156.5 Ų | 156.5 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | -107.9 | 147.3 | 144.2 | -77.5 | -175 | -179.9 | -173.4 | 0 | 105.3 | ||||
| 728 | E | 23.9 | Very low | 26.6 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | cis | -167.2 | 113 | 9.8 | 144.4 | 171 | -158.5 | 0 | 0 | 112 | ||||
| 729 | T | 26.9 | Very low | 26.3 | Very low | 121 Ų | 121 | 161.6 Ų | 161.6 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | trans | 69.2 | 169.5 | 152.5 | 72.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 730 | L | 26.1 | Very low | 26.7 | Very low | 135 Ų | 135 | 156 Ų | 156 | 71% | 0.707 | 75% | 0.746 | S | S | * | * | cis | -154.4 | 104.2 | 13.1 | -143.6 | 148 | 0 | 0 | 0 | 115.3 | ||||
| 731 | R | 27.2 | Very low | 26.8 | Very low | 212 Ų | 212 | 151.9 Ų | 151.9 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | trans | 54.8 | 130.8 | 144.3 | -56.1 | -177.8 | 174.1 | -176.9 | -2.1 | 125.3 | ||||
| 732 | K | 28.9 | Very low | 26.9 | Very low | 183 Ų | 183 | 155.1 Ų | 155.1 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | trans | 73.2 | 153.2 | 131.9 | -71.6 | -173.5 | 176.8 | -160.8 | 0 | 118.3 | ||||
| 733 | K | 26.8 | Very low | 27 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 65% | 0.652 | 72% | 0.722 | S | S | * | * | cis | -159.1 | 147.3 | 37.7 | -141.7 | -172.4 | -169.2 | -78.3 | 0 | 112 | ||||
| 734 | E | 26.5 | Very low | 26.8 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 66% | 0.659 | 73% | 0.727 | S | S | * | * | trans | 45.6 | 154.8 | 142.1 | -76.6 | 154.9 | -141.2 | 0 | 0 | 122.8 | ||||
| 735 | V | 29.5 | Very low | 26.9 | Very low | 128 Ų | 128 | 149 Ų | 149 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | cis | -174.5 | 164.8 | -26.6 | 109.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 736 | L | 28.9 | Very low | 27 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | trans | 102.3 | 159 | 158.1 | -138.9 | 63.3 | 0 | 0 | 0 | 121.2 | ||||
| 737 | E | 27.3 | Very low | 27 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | trans | -83.4 | -173.5 | -162.7 | -60.6 | 152.5 | 133.8 | 0 | 0 | 113.9 | ||||
| 738 | D | 26.1 | Very low | 27.1 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | cis | -159.2 | 177.6 | 26.2 | -167.8 | 19.8 | 0 | 0 | 0 | 113.9 | ||||
| 739 | R | 31.2 | Very low | 27.4 | Very low | 229 Ų | 229 | 139 Ų | 139 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | trans | -36.8 | 168.7 | 174.8 | -70.6 | 155.4 | 160 | 174.6 | -8.4 | 118.9 | ||||
| 740 | G | 30.7 | Very low | 27.3 | Very low | 46 Ų | 46 | 138.7 Ų | 138.7 | 47% | 0.474 | 72% | 0.719 | S | S | . | * | cis | 153.4 | -175.8 | 1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 741 | E | 24.8 | Very low | 27.2 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | trans | 77.1 | 96.9 | 176.7 | -66 | -153.4 | 127.3 | 0 | 0 | 121.1 | P290 D291 | P290-E741 VanDerWaalsContact CD-N 3.33Å; D291-E741 VanDerWaalsContact OD1-CA 3.3Å; D291-E741 WeakPolarHBondContact OD1-CA 3.46Å; D291-E741 PolarHBondContact OD1-N 3.43Å | ||
| 742 | R | 26.7 | Very low | 27.1 | Very low | 166 Ų | 166 | 141 Ų | 141 | 63% | 0.626 | 72% | 0.718 | S | S | * | * | 70.9 | 117.2 | 112.4 | -160.8 | -158.2 | -175.5 | 168.7 | 1.2 | 121.4 | D291 | D291-R742 VanDerWaalsContact CG-N 3.29Å; D291-R742 PolarHBondContact OD1-N 2.66Å; D291-R742 WeakPolarHBondContact OD2-CA 3.48Å; D291-R742 WeakPolarHBondContact OD2-CB 3.49Å; D291-R742 PolarHBondContact OD2-N 3.36Å | |||
| 743 | S | 23.3 | Very low | 26.9 | Very low | 84 Ų | 84 | 135.2 Ų | 135.2 | 59% | 0.587 | 71% | 0.71 | S | S | * | * | 152.8 | 146.9 | 117.3 | -66.2 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 744 | T | 25.9 | Very low | 26.9 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | trans | 68.5 | 108.6 | 148.8 | 33.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 745 | E | 23.7 | Very low | 26.7 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | trans | -54 | 160.1 | 133 | -119.4 | -154 | -119.4 | 0 | 0 | 111 | ||||
| 746 | P | 34.2 | Very low | 26.7 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | cis | -138.2 | -170.6 | 48.5 | 42.3 | -21.9 | 0 | 0 | 0 | 112.7 | ||||
| 747 | S | 24.9 | Very low | 26.5 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | cis | -162.5 | 150 | 26.1 | 54 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 748 | S | 25.7 | Very low | 26.4 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | -78.5 | 154.3 | 160 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 749 | P | 30.4 | Very low | 26.5 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 74% | 0.74 | 72% | 0.715 | S | S | * | * | trans | -120.9 | 99.5 | 137.1 | 34.5 | -29 | 0 | 0 | 0 | 113.1 | ||||
| 750 | T | 25 | Very low | 26.2 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | 46.7 | 115.3 | 111.9 | -57.2 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 751 | R | 23.5 | Very low | 26.2 | Very low | 198 Ų | 198 | 129 Ų | 129 | 75% | 0.747 | 70% | 0.695 | S | S | * | * | trans | 68.4 | 158.2 | 159.6 | -73 | 168.9 | 151.2 | -171.9 | -6.5 | 115.2 | ||||
| 752 | R | 26 | Very low | 26.6 | Very low | 197 Ų | 197 | 126.2 Ų | 126.2 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | cis | -142.3 | 161.1 | 0 | -119.1 | 156.9 | -66 | -162.1 | 1.5 | 105.7 | ||||
| 753 | G | 23.3 | Very low | 26.9 | Very low | 61 Ų | 61 | 128.7 Ų | 128.7 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | cis | 105.4 | 146 | 26 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 754 | N | 26.8 | Very low | 27.7 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | trans | 71.5 | 130.4 | -171.9 | -68.8 | 61 | 0 | 0 | 0 | 115 | ||||
| 755 | S | 24.1 | Very low | 28 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 63% | 0.629 | 71% | 0.705 | S | S | * | * | cis | 73.1 | 113.3 | 15.4 | 94.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 756 | L | 28.5 | Very low | 29 | Very low | 158 Ų | 158 | 129 Ų | 129 | 83% | 0.827 | 70% | 0.703 | S | S | * | * | trans | 49.6 | 148.8 | 155.6 | -87.7 | 73.6 | 0 | 0 | 0 | 120.4 | ||||
| 757 | S | 24.3 | Very low | 29.4 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | trans | 60.4 | 121.6 | 165.4 | 54.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 758 | H | 25.5 | Very low | 29.8 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 61% | 0.611 | 71% | 0.707 | S | S | * | * | 76.4 | 80.6 | 57.3 | -173.2 | -67.8 | 0 | 0 | 0 | 114.2 | K787 | H758-K787 PolarHBondContact NE2-NZ 3.08Š| |||
| 759 | F | 27.7 | Very low | 30.3 | Very low | 188 Ų | 188 | 137 Ų | 137 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | trans | -150 | 114 | 138.6 | -91 | -83.8 | 0 | 0 | 0 | 104.7 | ||||
| 760 | S | 26.3 | Very low | 30.6 | Very low | 64 Ų | 64 | 140.8 Ų | 140.8 | 45% | 0.448 | 72% | 0.717 | S | S | . | * | 56.8 | 121.4 | 78.5 | -150.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 761 | Y | 29.5 | Very low | 31.2 | Very low | 124 Ų | 124 | 145 Ų | 145 | 49% | 0.486 | 73% | 0.726 | S | S | . | * | cis | -159.2 | 153.8 | 44.6 | -79.7 | -99.7 | 0 | 0 | 0 | 114.4 | N785 I786 | Y761-N785 VanDerWaalsContact CD1-O 3.26Å; Y761-N785 WeakPolarHBondContact CD1-O 3.4Å; Y761-I786 HydrophobicContact CE1-CB 3.82Å; Y761-I786 HydrophobicContact CE1-CD1 4.32Å; Y761-I786 HydrophobicContact CE1-CG1 3.81Å | ||
| 762 | N | 32.7 | Very low | 31.7 | Very low | 89 Ų | 89 | 147.7 Ų | 147.7 | 48% | 0.476 | 74% | 0.736 | S | S | . | * | trans | 10.1 | 155.3 | 130.5 | -76.2 | -11 | 0 | 0 | 0 | 121.7 | N785 | N762-N785 WeakPolarHBondContact CB-O 3.48Å; N762-N785 PolarHBondContact ND2-O 3.46Å | ||
| 763 | R | 33 | Very low | 32 | Very low | 218 Ų | 218 | 142.9 Ų | 142.9 | 82% | 0.823 | 74% | 0.738 | S | S | * | * | cis | -175.2 | 162.5 | -6.8 | 175 | 175.5 | -170.2 | 179.5 | 3.8 | 110 | ||||
| 764 | D | 40.7 | Very low | 32.6 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | trans | -70.7 | 149.2 | -177.3 | -44.7 | -100.3 | 0 | 0 | 0 | 116.6 | ||||
| 765 | A | 33.3 | Very low | 33.1 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -159.5 | 122 | 156.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 766 | D | 43.4 | Very low | 34.2 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | cis | 100.8 | 130.2 | 17 | -159.8 | 22.7 | 0 | 0 | 0 | 115.3 | ||||
| 767 | L | 43.7 | Very low | 34.7 | Very low | 149 Ų | 149 | 152 Ų | 152 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | trans | 63.4 | 151.6 | -177.5 | -40.9 | 177.9 | 0 | 0 | 0 | 114.2 | ||||
| 768 | I | 33 | Very low | 35.5 | Very low | 142 Ų | 142 | 151.5 Ų | 151.5 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | cis | -145.7 | 132 | 23.3 | -68.8 | 172.7 | 0 | 0 | 0 | 111.6 | ||||
| 769 | K | 35.9 | Very low | 35.7 | Very low | 193 Ų | 193 | 152.9 Ų | 152.9 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | 35.3 | 115.1 | 150.1 | -53.6 | 164.3 | -171 | 164.9 | 0 | 121.5 | ||||
| 770 | K | 36.4 | Very low | 36 | Very low | 195 Ų | 195 | 149.2 Ų | 149.2 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | 85.6 | 124.2 | 121.9 | -166.2 | 178.1 | -174.3 | 176.5 | 0 | 121.4 | |||||
| 771 | K | 37.5 | Very low | 36 | Very low | 202 Ų | 202 | 154.8 Ų | 154.8 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | 89.7 | 152.5 | 156.7 | -95.7 | -171.9 | 175.5 | -171.8 | 0 | 121 | ||||
| 772 | R | 34.1 | Very low | 37 | Very low | 254 Ų | 254 | 154 Ų | 154 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | trans | -74.5 | 136.4 | -178.3 | -68.7 | 169.5 | 159.4 | 131.3 | -9.5 | 114.1 | ||||
| 773 | A | 33.2 | Very low | 37 | Very low | 97 Ų | 97 | 154 Ų | 154 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -165.1 | 153.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 774 | S | 35 | Very low | 37 | Very low | 110 Ų | 110 | 148 Ų | 148 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | cis | 88.8 | 89.9 | 28.2 | -168.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 775 | L | 37.9 | Very low | 36.4 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | 70.5 | 105.1 | 134.1 | -160.2 | 69.4 | 0 | 0 | 0 | 121.4 | ||||
| 776 | R | 46.8 | Very low | 36.2 | Very low | 211 Ų | 211 | 145.6 Ų | 145.6 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | 79.7 | 139.1 | 155.4 | -67.4 | -178.6 | 173.1 | -144.1 | -1.5 | 121.9 | ||||
| 777 | H | 38.2 | Very low | 35.4 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | 93.4 | 166.4 | 169.9 | -57 | -73.1 | 0 | 0 | 0 | 118.8 | ||||
| 778 | S | 42.3 | Very low | 34.7 | Very low | 102 Ų | 102 | 144.1 Ų | 144.1 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | -129.3 | 176.8 | -126.9 | -37.9 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 779 | D | 30.1 | Very low | 34.8 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | 101.7 | -176.3 | 152.8 | -53.1 | -19.3 | 0 | 0 | 0 | 123.3 | ||||
| 780 | S | 32.6 | Very low | 36 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | -134.3 | 162.8 | -128.5 | -42.2 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 781 | E | 26.8 | Very low | 36 | Very low | 182 Ų | 182 | 134.3 Ų | 134.3 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | trans | 63.2 | 171.9 | 151.4 | -84.9 | -151.1 | 167.7 | 0 | 0 | 124.7 | ||||
| 782 | P | 49.5 | Very low | 35.6 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 69% | 0.688 | 74% | 0.736 | S | S | * | * | cis | -144.3 | 171.6 | -42.1 | 41.9 | -23.2 | 0 | 0 | 0 | 120.2 | ||||
| 783 | A | 34.4 | Very low | 35.5 | Very low | 90 Ų | 90 | 126.7 Ų | 126.7 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | trans | 74.8 | 118.8 | 141.3 | 0 | 0 | 0 | 0 | 0 | 130.5 | ||||
| 784 | S | 32.7 | Very low | 35.4 | Very low | 93 Ų | 93 | 127 Ų | 127 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | trans | 83.1 | 174.2 | 130.8 | 84.9 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 785 | N | 28.7 | Very low | 35.3 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 51% | 0.508 | 72% | 0.717 | S | S | . | * | trans | 113.3 | 167.8 | 153.8 | -103.6 | -83.9 | 0 | 0 | 0 | 124.3 | Y761 N762 | Y761-N785 VanDerWaalsContact CD1-O 3.26Å; Y761-N785 WeakPolarHBondContact CD1-O 3.4Å; N762-N785 WeakPolarHBondContact CB-O 3.48Å; N762-N785 PolarHBondContact ND2-O 3.46Å | ||
| 786 | I | 28.6 | Very low | 35 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 54% | 0.544 | 72% | 0.716 | S | S | . | * | -107.4 | -175.4 | -127.6 | -156.2 | 156.8 | 0 | 0 | 0 | 122.3 | Y761 | Y761-I786 HydrophobicContact CE1-CB 3.82Å; Y761-I786 HydrophobicContact CE1-CD1 4.32Å; Y761-I786 HydrophobicContact CE1-CG1 3.81Å | |||
| 787 | K | 27.1 | Very low | 34.6 | Very low | 136 Ų | 136 | 123.2 Ų | 123.2 | 59% | 0.591 | 71% | 0.712 | S | S | * | * | trans | -85.3 | 168.9 | 175.6 | -62.4 | 179.2 | -178.1 | 176.7 | 0 | 114.2 | H758 | H758-K787 PolarHBondContact NE2-NZ 3.08Š| ||
| 788 | S | 29.1 | Very low | 34.1 | Very low | 118 Ų | 118 | 122.2 Ų | 122.2 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | 75.3 | 160.2 | 141.9 | 46.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 789 | S | 35.1 | Very low | 33.6 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | -106.1 | -177 | -171.1 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 790 | P | 59.5 | Low | 33.6 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 68% | 0.675 | 71% | 0.707 | S | S | * | * | cis | -131.4 | -162.1 | -21.8 | 29.8 | -6.7 | 0 | 0 | 0 | 113.1 | ||||
| 791 | T | 36.3 | Very low | 33.4 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | trans | 74.7 | 144.2 | 168.2 | 70.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 792 | N | 29.1 | Very low | 33.4 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 68% | 0.684 | 71% | 0.709 | S | S | * | * | cis | -153.5 | 163.4 | 42.7 | -86.6 | -72.2 | 0 | 0 | 0 | 116.3 | ||||
| 793 | H | 32.8 | Very low | 32.2 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | trans | -1.6 | 156.4 | 137.2 | -65.9 | -61.1 | 0 | 0 | 0 | 121.8 | ||||
| 794 | T | 31.9 | Very low | 31.9 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 64% | 0.638 | 71% | 0.712 | S | S | * | * | cis | -165 | 176.9 | -23.7 | -50 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 795 | D | 31.3 | Very low | 31.5 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | trans | 118.6 | 94.9 | 147 | -62.6 | -19 | 0 | 0 | 0 | 120.8 | ||||
| 796 | I | 32.5 | Very low | 31.3 | Very low | 149 Ų | 149 | 132 Ų | 132 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | 42.9 | 121.9 | 115.8 | -61.6 | 173.2 | 0 | 0 | 0 | 117.6 | |||||
| 797 | P | 38 | Very low | 31.1 | Very low | 108 Ų | 108 | 134 Ų | 134 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | -155.9 | 158.3 | 72.4 | 39.2 | -17.9 | 0 | 0 | 0 | 121.5 | |||||
| 798 | I | 28.1 | Very low | 31.3 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 81 | 116 | 145.2 | -70.3 | 162.6 | 0 | 0 | 0 | 123.3 | ||||
| 799 | K | 32.5 | Very low | 31.1 | Very low | 172 Ų | 172 | 131 Ų | 131 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | 56.7 | 128.3 | 144.5 | -78.4 | -175.1 | 165.4 | -167.3 | 0 | 126 | ||||
| 800 | Q | 29.1 | Very low | 30.6 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | 64 | 138.2 | 143 | -62 | 177.8 | -96.1 | 0 | 0 | 117.1 | ||||
| 801 | V | 28.3 | Very low | 29.2 | Very low | 124 Ų | 124 | 137 Ų | 137 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | cis | -140.3 | 159.6 | 36.4 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 802 | Y | 26.3 | Very low | 28.7 | Very low | 229 Ų | 229 | 138.6 Ų | 138.6 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | trans | -19.8 | 150.1 | 179.4 | -62 | -89.1 | 0 | 0 | 0 | 120.5 | ||||
| 803 | G | 25.6 | Very low | 29 | Very low | 63 Ų | 63 | 139.1 Ų | 139.1 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | cis | 159.1 | 58.3 | 0.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 804 | N | 26.6 | Very low | 28.9 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | 51.7 | 153.3 | 154.5 | -74.2 | 16.1 | 0 | 0 | 0 | 124.5 | ||||
| 805 | S | 25.4 | Very low | 29.3 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | 82 | 140.6 | 155 | 79.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 806 | V | 24.8 | Very low | 29.8 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | cis | -158.6 | 164.8 | -9.2 | 114 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 807 | D | 22.9 | Very low | 30.2 | Very low | 147 Ų | 147 | 146 Ų | 146 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | 69.1 | 124.1 | 165.8 | -71.8 | -20.3 | 0 | 0 | 0 | 124.1 | ||||
| 808 | A | 31.7 | Very low | 30.7 | Very low | 102 Ų | 102 | 145 Ų | 145 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 47 | 93.9 | 133.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 809 | A | 24.5 | Very low | 33 | Very low | 90 Ų | 90 | 141 Ų | 141 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | trans | -160.3 | 115.5 | 141.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 810 | E | 26.1 | Very low | 35 | Very low | 207 Ų | 207 | 139.8 Ų | 139.8 | 97% | 0.967 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -88 | 116.5 | 158.6 | -75.5 | -162.8 | 139.8 | 0 | 0 | 109 | ||
| 811 | T | 28.7 | Very low | 37.4 | Very low | 128 Ų | 128 | 136 Ų | 136 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 137.9 | 179.9 | 45.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 812 | N | 27.4 | Very low | 39.9 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 136.6 | -177.8 | -92.6 | -69 | 0 | 0 | 0 | 112.8 | ||
| 813 | T | 33.7 | Very low | 42.9 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 85% | 0.847 | 71% | 0.707 | S | S | * | * | trans | -111.5 | 112 | 149.7 | 42.8 | 0 | 0 | 0 | 0 | 108.1 | K815 | T813-K815 PolarHBondContact O-N 3.39Š| ||
| 814 | E | 32.5 | Very low | 45.9 | Very low | 168 Ų | 168 | 125.4 Ų | 125.4 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | trans | -71.8 | 118.1 | -159.5 | -58.6 | 179.5 | 141.2 | 0 | 0 | 113.4 | K816 | E814-K816 PolarHBondContact O-N 2.97Š| ||
| 815 | K | 39 | Very low | 48.8 | Very low | 200 Ų | 200 | 122.2 Ų | 122.2 | 87% | 0.87 | 66% | 0.659 | S | S | * | * | trans | -80.1 | 104.3 | 156.8 | -71.9 | 177.6 | -177.8 | 169.9 | 0 | 108 | T813 V817 | T813-K815 PolarHBondContact O-N 3.39Å; K815-V817 PolarHBondContact O-N 3.31Å | ||
| 816 | K | 42.6 | Very low | 51.8 | Low | 185 Ų | 185 | 120.3 Ų | 120.3 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | trans | -52.1 | 112.6 | 174.3 | -87.4 | -172.4 | 172.3 | -177.2 | 0 | 110.8 | E814 L818 | E814-K816 PolarHBondContact O-N 2.97Å; K816-L818 PolarHBondContact O-N 3.38Å | ||
| 817 | V | 40.2 | Very low | 54.8 | Low | 145 Ų | 145 | 121 Ų | 121 | 88% | 0.879 | 63% | 0.627 | S | S | * | * | trans | -74.7 | 103.9 | 170.4 | -178.3 | 0 | 0 | 0 | 0 | 107.6 | K815 | K815-V817 PolarHBondContact O-N 3.31Š| ||
| 818 | L | 49.3 | Very low | 58.1 | Low | 86 Ų | 86 | 114 Ų | 114 | 45% | 0.45 | 59% | 0.589 | S | S | . | * | trans | -67.2 | 144.7 | 172.2 | -58.2 | 177.2 | 0 | 0 | 0 | 109.3 | K816 E822 | K816-L818 PolarHBondContact O-N 3.38Å; L818-E822 HydrophobicContact CB-CB 4.28Å; L818-E822 HydrophobicContact CB-CG 4.21Å; L818-E822 HydrophobicContact CD2-CG 4.35Å | ||
| 819 | S | 75.3 | Confident | 61 | Low | 69 Ų | 69 | 115.7 Ų | 115.7 | 48% | 0.483 | 57% | 0.574 | S | S | . | * | trans | -60.4 | 148.4 | 175.7 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | Q821 E822 E823 | S819-Q821 PolarHBondContact O-N 2.87Å; S819-Q821 PolarHBondContact OG-N 3.01Å; S819-E822 PolarHBondContact N-OE2 2.96Å; S819-E822 CarbonylContact O-C 3.57Å; S819-E822 WeakPolarHBondContact O-CA 3.46Å; S819-E822 VanDerWaalsContact O-CB 3.27Å; S819-E822 WeakPolarHBondContact O-CB 3.5Å; S819-E822 PolarHBondContact O-N 3.13Å; S819-E823 PolarHBondContact O-N 3.35Å | ||
| 820 | R | 75.4 | Confident | 64.3 | Low | 147 Ų | 147 | 115.9 Ų | 115.9 | 56% | 0.555 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -52.3 | -35.2 | 173.5 | 178.8 | -179 | 164.6 | -147.4 | -8.2 | 111.8 | E822 E823 L824 E884 | R820-E822 VanDerWaalsContact C-N 3.27Å; R820-E822 PolarHBondContact O-N 2.66Å; R820-E823 PolarHBondContact O-N 3.11Å; R820-L824 HydrophobicContact CG-CD1 4.31Å; R820-L824 VanDerWaalsContact O-CG 3.31Å; R820-L824 WeakPolarHBondContact O-CG 3.14Å; R820-L824 PolarHBondContact O-N 2.82Å; R820-E884 IonicContact CZ-OE1 3.1Å; R820-E884 IonicContact NH2-OE1 2.66Å; R820-E884 PolarHBondContact NH2-OE1 2.9Å |
| 821 | Q | 80.1 | Confident | 67.4 | Low | 83 Ų | 83 | 107.9 Ų | 107.9 | 39% | 0.388 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -31.2 | 176.2 | -155.9 | -154.1 | 25.1 | 0 | 0 | 112.7 | S819 K825 A885 | S819-Q821 PolarHBondContact O-N 2.87Å; S819-Q821 PolarHBondContact OG-N 3.01Å; Q821-K825 VanDerWaalsContact O-CD 3.24Å; Q821-K825 WeakPolarHBondContact O-CD 3.49Å; Q821-K825 WeakPolarHBondContact O-CE 3.31Å; Q821-K825 WeakPolarHBondContact O-CG 3.27Å; Q821-K825 PolarHBondContact O-N 3.35Å; Q821-A885 VanDerWaalsContact CD-O 3.32Å; Q821-A885 HydrophobicContact CG-CB 4.17Å; Q821-A885 WeakPolarHBondContact CG-O 3.23Å; Q821-A885 PolarHBondContact NE2-O 3.47Å |
| 822 | E | 80.9 | Confident | 70.5 | Confident | 95 Ų | 95 | 105.2 Ų | 105.2 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -84.2 | -37.5 | 179.8 | -170.1 | 170.5 | -148.5 | 0 | 0 | 111.1 | L818 S819 R820 K825 E826 | L818-E822 HydrophobicContact CB-CB 4.28Å; L818-E822 HydrophobicContact CB-CG 4.21Å; L818-E822 HydrophobicContact CD2-CG 4.35Å; S819-E822 PolarHBondContact N-OE2 2.96Å; S819-E822 CarbonylContact O-C 3.57Å; S819-E822 WeakPolarHBondContact O-CA 3.46Å; S819-E822 VanDerWaalsContact O-CB 3.27Å; S819-E822 WeakPolarHBondContact O-CB 3.5Å; S819-E822 PolarHBondContact O-N 3.13Å; R820-E822 VanDerWaalsContact C-N 3.27Å; R820-E822 PolarHBondContact O-N 2.66Å; E822-K825 WeakPolarHBondContact O-CB 3.41Å; E822-K825 PolarHBondContact O-N 3.22Å; E822-E826 PolarHBondContact O-N 3.38Å |
| 823 | E | 87.9 | Confident | 73.6 | Confident | 81 Ų | 81 | 101.3 Ų | 101.3 | 38% | 0.379 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 170.3 | -160.1 | -154.1 | 167.2 | 0 | 0 | 111.7 | S819 R820 K825 E826 R827 | S819-E823 PolarHBondContact O-N 3.35Å; R820-E823 PolarHBondContact O-N 3.11Å; E823-K825 VanDerWaalsContact C-N 3.32Å; E823-K825 PolarHBondContact O-N 3.09Å; E823-E826 PolarHBondContact O-N 3.12Å; E823-R827 WeakPolarHBondContact O-CB 3.47Å; E823-R827 VanDerWaalsContact O-CG 3.31Å; E823-R827 WeakPolarHBondContact O-CG 3.36Å; E823-R827 PolarHBondContact O-N 3.4Å; E823-R827 IonicContact OE1-CZ 3.39Å; E823-R827 IonicContact OE1-NE 3.98Å; E823-R827 PolarHBondContact OE1-NE 3.03Å; E823-R827 IonicContact OE1-NH2 3.11Å; E823-R827 PolarHBondContact OE1-NH2 3.32Å |
| 824 | L | 88.1 | Confident | 76.3 | Confident | 17 Ų | 17 | 98.2 Ų | 98.2 | 9% | 0.089 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 174.6 | -71.8 | 169.4 | 0 | 0 | 0 | 112 | R820 A828 L881 E884 A885 | R820-L824 HydrophobicContact CG-CD1 4.31Å; R820-L824 VanDerWaalsContact O-CG 3.31Å; R820-L824 WeakPolarHBondContact O-CG 3.14Å; R820-L824 PolarHBondContact O-N 2.82Å; L824-A828 WeakPolarHBondContact O-CB 3.35Å; L824-A828 PolarHBondContact O-N 3.32Å; L824-L881 HydrophobicContact CD2-CD2 3.79Å; L824-E884 HydrophobicContact CD1-CB 4.42Å; L824-E884 HydrophobicContact CD1-CG 3.96Å; L824-A885 HydrophobicContact CB-CB 3.87Å; L824-A885 HydrophobicContact CD1-CB 4.43Å |
| 825 | K | 87.8 | Confident | 79.1 | Confident | 91 Ų | 91 | 90.3 Ų | 90.3 | 40% | 0.396 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 174.8 | -73.1 | 163.3 | -166.7 | 167.4 | 0 | 112 | Q821 E822 E823 A828 R829 A885 | Q821-K825 VanDerWaalsContact O-CD 3.24Å; Q821-K825 WeakPolarHBondContact O-CD 3.49Å; Q821-K825 WeakPolarHBondContact O-CE 3.31Å; Q821-K825 WeakPolarHBondContact O-CG 3.27Å; Q821-K825 PolarHBondContact O-N 3.35Å; E822-K825 WeakPolarHBondContact O-CB 3.41Å; E822-K825 PolarHBondContact O-N 3.22Å; E823-K825 VanDerWaalsContact C-N 3.32Å; E823-K825 PolarHBondContact O-N 3.09Å; K825-A828 WeakPolarHBondContact O-CB 3.21Å; K825-A828 PolarHBondContact O-N 3.05Å; K825-R829 WeakPolarHBondContact O-CB 3.25Å; K825-R829 PolarHBondContact O-N 3.17Å; K825-A885 HydrophobicContact CG-CB 3.96Å |
| 826 | E | 90 | Very high | 81.5 | Confident | 73 Ų | 73 | 89.2 Ų | 89.2 | 34% | 0.341 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -73.8 | -36.7 | -179.6 | -165.5 | 64.1 | -167.3 | 0 | 0 | 111.6 | E822 E823 A828 R829 L830 | E822-E826 PolarHBondContact O-N 3.38Å; E823-E826 PolarHBondContact O-N 3.12Å; E826-A828 VanDerWaalsContact C-N 3.33Å; E826-A828 PolarHBondContact O-N 3.41Å; E826-R829 WeakPolarHBondContact O-CB 3.47Å; E826-R829 PolarHBondContact O-N 3.08Å; E826-R829 WeakPolarHBondContact OE1-CD 3.47Å; E826-R829 IonicContact OE1-CZ 2.85Å; E826-R829 IonicContact OE1-NE 2.58Å; E826-R829 IonicContact OE1-NH1 2.76Å; E826-R829 PolarHBondContact OE1-NH1 2.82Å; E826-R829 VanDerWaalsContact OE1-NH1 3.1Å; E826-R829 WeakPolarHBondContact OE2-CD 3.28Å; E826-R829 IonicContact OE2-CZ 3.85Å; E826-R829 IonicContact OE2-NE 3.1Å; E826-R829 IonicContact OE2-NH1 2.88Å; E826-R829 PolarHBondContact OE2-NH1 3.2Å; E826-L830 WeakPolarHBondContact O-CG 3.36Å; E826-L830 PolarHBondContact O-N 3.19Å |
| 827 | R | 85.9 | Confident | 83.6 | Confident | 140 Ų | 140 | 85.9 Ų | 85.9 | 53% | 0.528 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.9 | -43 | 167.8 | -73.4 | 178 | -179.7 | -143.6 | 5.7 | 111.4 | E823 L830 L831 L881 | E823-R827 WeakPolarHBondContact O-CB 3.47Å; E823-R827 VanDerWaalsContact O-CG 3.31Å; E823-R827 WeakPolarHBondContact O-CG 3.36Å; E823-R827 PolarHBondContact O-N 3.4Å; E823-R827 IonicContact OE1-CZ 3.39Å; E823-R827 IonicContact OE1-NE 3.98Å; E823-R827 PolarHBondContact OE1-NE 3.03Å; E823-R827 IonicContact OE1-NH2 3.11Å; E823-R827 PolarHBondContact OE1-NH2 3.32Å; R827-L830 PolarHBondContact O-N 3.26Å; R827-L831 WeakPolarHBondContact O-CG 3.47Å; R827-L831 PolarHBondContact O-N 3.19Å; R827-L881 HydrophobicContact CB-CD1 4.13Å |
| 828 | A | 92.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.5 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L824 K825 E826 L830 L831 L832 A878 L881 I882 | L824-A828 WeakPolarHBondContact O-CB 3.35Å; L824-A828 PolarHBondContact O-N 3.32Å; K825-A828 WeakPolarHBondContact O-CB 3.21Å; K825-A828 PolarHBondContact O-N 3.05Å; E826-A828 VanDerWaalsContact C-N 3.33Å; E826-A828 PolarHBondContact O-N 3.41Å; A828-L830 PolarHBondContact O-N 2.65Å; A828-L831 PolarHBondContact O-N 3.46Å; A828-L832 WeakPolarHBondContact O-CG 3.35Å; A828-L832 PolarHBondContact O-N 2.86Å; A828-A878 HydrophobicContact CB-CB 4.19Å; A828-A878 WeakPolarHBondContact CB-O 3.17Å; A828-A878 WeakPolarHBondContact O-CB 3.24Å; A828-L881 HydrophobicContact CB-CB 3.81Å; A828-L881 HydrophobicContact CB-CD1 4.42Å; A828-I882 HydrophobicContact CB-CD1 4.02Å; A828-I882 HydrophobicContact CB-CG1 3.63Å |
| 829 | R | 93.2 | Very high | 87.4 | Confident | 137 Ų | 137 | 78.5 Ų | 78.5 | 52% | 0.517 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.9 | -46 | 175.6 | -174.7 | -166.8 | -176.8 | 178.5 | 0.6 | 111.3 | K825 E826 L831 L832 E833 | K825-R829 WeakPolarHBondContact O-CB 3.25Å; K825-R829 PolarHBondContact O-N 3.17Å; E826-R829 WeakPolarHBondContact O-CB 3.47Å; E826-R829 PolarHBondContact O-N 3.08Å; E826-R829 WeakPolarHBondContact OE1-CD 3.47Å; E826-R829 IonicContact OE1-CZ 2.85Å; E826-R829 IonicContact OE1-NE 2.58Å; E826-R829 IonicContact OE1-NH1 2.76Å; E826-R829 PolarHBondContact OE1-NH1 2.82Å; E826-R829 VanDerWaalsContact OE1-NH1 3.1Å; E826-R829 WeakPolarHBondContact OE2-CD 3.28Å; E826-R829 IonicContact OE2-CZ 3.85Å; E826-R829 IonicContact OE2-NE 3.1Å; E826-R829 IonicContact OE2-NH1 2.88Å; E826-R829 PolarHBondContact OE2-NH1 3.2Å; R829-L831 VanDerWaalsContact C-N 3.3Å; R829-L831 PolarHBondContact O-N 2.81Å; R829-L832 PolarHBondContact O-N 3.29Å; R829-L832 VanDerWaalsContact O-N 3.13Å; R829-E833 WeakPolarHBondContact O-CB 3.48Å; R829-E833 PolarHBondContact O-N 2.83Å |
| 830 | L | 93.3 | Very high | 87.6 | Confident | 94 Ų | 94 | 78 Ų | 78 | 49% | 0.492 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.7 | -36.5 | 177.3 | -72.6 | 169.8 | 0 | 0 | 0 | 112.7 | E826 R827 A828 Q834 | E826-L830 WeakPolarHBondContact O-CG 3.36Å; E826-L830 PolarHBondContact O-N 3.19Å; R827-L830 PolarHBondContact O-N 3.26Å; A828-L830 PolarHBondContact O-N 2.65Å; L830-Q834 WeakPolarHBondContact O-CB 3.15Å; L830-Q834 PolarHBondContact O-N 3.08Å |
| 831 | L | 92.8 | Very high | 87.6 | Confident | 39 Ų | 39 | 77.1 Ų | 77.1 | 20% | 0.204 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.7 | -37.6 | 173.7 | -68.7 | 174.2 | 0 | 0 | 0 | 112.6 | R827 A828 R829 A835 L874 R877 A878 L881 | R827-L831 WeakPolarHBondContact O-CG 3.47Å; R827-L831 PolarHBondContact O-N 3.19Å; A828-L831 PolarHBondContact O-N 3.46Å; R829-L831 VanDerWaalsContact C-N 3.3Å; R829-L831 PolarHBondContact O-N 2.81Å; L831-A835 WeakPolarHBondContact O-CB 3.29Å; L831-A835 PolarHBondContact O-N 3.06Å; L831-L874 HydrophobicContact CD2-CD2 3.87Å; L831-R877 HydrophobicContact CD1-CB 4.17Å; L831-R877 HydrophobicContact CD1-CG 3.89Å; L831-A878 HydrophobicContact CB-CB 4.07Å; L831-L881 HydrophobicContact CD1-CD1 3.8Å |
| 832 | L | 93.8 | Very high | 87.3 | Confident | 72 Ų | 72 | 76.9 Ų | 76.9 | 38% | 0.377 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.5 | -41.2 | 173.3 | -66.9 | 173.2 | 0 | 0 | 0 | 111.8 | A828 R829 Q834 A835 R836 R875 A878 I882 | A828-L832 WeakPolarHBondContact O-CG 3.35Å; A828-L832 PolarHBondContact O-N 2.86Å; R829-L832 PolarHBondContact O-N 3.29Å; R829-L832 VanDerWaalsContact O-N 3.13Å; L832-Q834 VanDerWaalsContact C-N 3.33Å; L832-A835 PolarHBondContact O-N 2.85Å; L832-R836 WeakPolarHBondContact O-CB 3.32Å; L832-R836 PolarHBondContact O-N 2.84Å; L832-R875 HydrophobicContact CD2-CB 4.28Å; L832-R875 HydrophobicContact CD2-CG 3.91Å; L832-A878 HydrophobicContact CD1-CB 4.24Å; L832-A878 HydrophobicContact CD2-CB 3.74Å; L832-A878 HydrophobicContact CG-CB 3.6Å; L832-I882 HydrophobicContact CD1-CD1 4.35Å |
| 833 | E | 92.8 | Very high | 86.5 | Confident | 68 Ų | 68 | 75.1 Ų | 75.1 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.3 | -154.9 | 71.5 | -103.9 | 0 | 0 | 110.4 | R829 R836 R837 | R829-E833 WeakPolarHBondContact O-CB 3.48Å; R829-E833 PolarHBondContact O-N 2.83Å; E833-R836 WeakPolarHBondContact O-CB 3.37Å; E833-R836 PolarHBondContact O-N 2.95Å; E833-R837 WeakPolarHBondContact O-CG 3.07Å; E833-R837 PolarHBondContact O-N 3.28Å |
| 834 | Q | 89.2 | Confident | 85.1 | Confident | 72 Ų | 72 | 73.7 Ų | 73.7 | 34% | 0.336 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.3 | -47.5 | 173.8 | -170.7 | 60 | 31.7 | 0 | 0 | 111.9 | L830 L832 R836 R837 D838 L874 | L830-Q834 WeakPolarHBondContact O-CB 3.15Å; L830-Q834 PolarHBondContact O-N 3.08Å; L832-Q834 VanDerWaalsContact C-N 3.33Å; Q834-R836 PolarHBondContact O-N 3.18Å; Q834-R836 VanDerWaalsContact O-N 3.16Å; Q834-R837 PolarHBondContact O-N 3.12Å; Q834-R837 VanDerWaalsContact O-N 3.08Å; Q834-D838 PolarHBondContact NE2-OD1 2.74Å; Q834-D838 PolarHBondContact O-N 3.4Å; Q834-L874 HydrophobicContact CG-CD1 4.29Å |
| 835 | A | 91.6 | Very high | 83.4 | Confident | 3 Ų | 3 | 80.1 Ų | 80.1 | 3% | 0.025 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.7 | -27.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L831 L832 A839 L874 R875 | L831-A835 WeakPolarHBondContact O-CB 3.29Å; L831-A835 PolarHBondContact O-N 3.06Å; L832-A835 PolarHBondContact O-N 2.85Å; A835-A839 WeakPolarHBondContact O-CB 3.47Å; A835-A839 PolarHBondContact O-N 2.93Å; A835-L874 HydrophobicContact CB-CB 3.87Å; A835-L874 HydrophobicContact CB-CD1 4.14Å; A835-R875 HydrophobicContact CB-CG 4.14Å |
| 836 | R | 89.3 | Confident | 81.7 | Confident | 177 Ų | 177 | 83.1 Ų | 83.1 | 67% | 0.668 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -76.7 | -40.8 | 173.8 | -165.5 | -179.4 | -169.4 | 178.8 | 4.6 | 112.2 | L832 E833 Q834 A839 A840 | L832-R836 WeakPolarHBondContact O-CB 3.32Å; L832-R836 PolarHBondContact O-N 2.84Å; E833-R836 WeakPolarHBondContact O-CB 3.37Å; E833-R836 PolarHBondContact O-N 2.95Å; Q834-R836 PolarHBondContact O-N 3.18Å; Q834-R836 VanDerWaalsContact O-N 3.16Å; R836-A839 PolarHBondContact O-N 2.86Å; R836-A840 WeakPolarHBondContact O-CB 3.33Å; R836-A840 PolarHBondContact O-N 3.04Å |
| 837 | R | 87.1 | Confident | 79.7 | Confident | 115 Ų | 115 | 86.5 Ų | 86.5 | 43% | 0.434 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 171.7 | -68.4 | 178.6 | -155.3 | 122.2 | 2.6 | 111.5 | E833 Q834 A839 A840 L841 | E833-R837 WeakPolarHBondContact O-CG 3.07Å; E833-R837 PolarHBondContact O-N 3.28Å; Q834-R837 PolarHBondContact O-N 3.12Å; Q834-R837 VanDerWaalsContact O-N 3.08Å; R837-A839 PolarHBondContact O-N 2.98Å; R837-A840 PolarHBondContact O-N 2.74Å; R837-L841 WeakPolarHBondContact O-CG 3.49Å; R837-L841 PolarHBondContact O-N 2.78Å |
| 838 | D | 84.1 | Confident | 77.5 | Confident | 35 Ų | 35 | 86.3 Ų | 86.3 | 19% | 0.187 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62 | -27.8 | 177.3 | -68.1 | 5.9 | 0 | 0 | 0 | 112.5 | Q834 R871 | Q834-D838 PolarHBondContact NE2-OD1 2.74Å; Q834-D838 PolarHBondContact O-N 3.4Å; D838-R871 HydrophobicContact CB-CG 3.81Å; D838-R871 PolarHBondContact O-NH1 2.76Å; D838-R871 VanDerWaalsContact O-NH1 3.13Å |
| 839 | A | 84.4 | Confident | 75.3 | Confident | 40 Ų | 40 | 91.4 Ų | 91.4 | 33% | 0.331 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -78.5 | -43.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A835 R836 R837 L841 K842 A843 | A835-A839 WeakPolarHBondContact O-CB 3.47Å; A835-A839 PolarHBondContact O-N 2.93Å; R836-A839 PolarHBondContact O-N 2.86Å; R837-A839 PolarHBondContact O-N 2.98Å; A839-L841 PolarHBondContact O-N 3.42Å; A839-K842 PolarHBondContact O-N 3.42Å; A839-A843 PolarHBondContact O-N 2.67Å |
| 840 | A | 80.1 | Confident | 72.6 | Confident | 59 Ų | 59 | 92.5 Ų | 92.5 | 49% | 0.488 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -37.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R836 R837 A843 G844 | R836-A840 WeakPolarHBondContact O-CB 3.33Å; R836-A840 PolarHBondContact O-N 3.04Å; R837-A840 PolarHBondContact O-N 2.74Å; A840-A843 PolarHBondContact O-N 2.96Å; A840-G844 PolarHBondContact O-N 3.19Å |
| 841 | L | 74.3 | Confident | 69.9 | Low | 128 Ų | 128 | 93.2 Ų | 93.2 | 67% | 0.67 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.3 | -43.5 | 173.6 | -71.8 | 168.3 | 0 | 0 | 0 | 111.4 | R837 A839 A843 N845 | R837-L841 WeakPolarHBondContact O-CG 3.49Å; R837-L841 PolarHBondContact O-N 2.78Å; A839-L841 PolarHBondContact O-N 3.42Å; L841-A843 VanDerWaalsContact C-N 3.31Å; L841-A843 PolarHBondContact O-N 2.9Å; L841-N845 PolarHBondContact O-N 3.49Å |
| 842 | K | 74.1 | Confident | 67.4 | Low | 79 Ų | 79 | 95.5 Ų | 95.5 | 34% | 0.343 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.9 | -25.5 | 176.7 | -174.7 | 63.9 | -171.9 | -167.1 | 0 | 113.2 | A839 D864 | A839-K842 PolarHBondContact O-N 3.42Å; K842-D864 WeakPolarHBondContact CE-OD1 3.28Å; K842-D864 WeakPolarHBondContact CE-OD2 3.24Å; K842-D864 IonicContact NZ-OD1 2.6Å; K842-D864 PolarHBondContact NZ-OD1 3.2Å; K842-D864 IonicContact NZ-OD2 2.75Å; K842-D864 PolarHBondContact NZ-OD2 3.45Å |
| 843 | A | 65.3 | Low | 64.8 | Low | 58 Ų | 58 | 99.4 Ų | 99.4 | 48% | 0.479 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -81.5 | -44.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A839 A840 L841 N845 K846 | A839-A843 PolarHBondContact O-N 2.67Å; A840-A843 PolarHBondContact O-N 2.96Å; L841-A843 VanDerWaalsContact C-N 3.31Å; L841-A843 PolarHBondContact O-N 2.9Å; A843-N845 VanDerWaalsContact C-N 3.3Å; A843-N845 PolarHBondContact O-N 2.96Å; A843-K846 WeakPolarHBondContact O-CB 3.46Å; A843-K846 PolarHBondContact O-N 3.27Å |
| 844 | G | 57.8 | Low | 62.3 | Low | 51 Ų | 51 | 100.8 Ų | 100.8 | 53% | 0.526 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.6 | -31.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A840 K846 N847 | A840-G844 PolarHBondContact O-N 3.19Å; G844-K846 PolarHBondContact O-N 2.83Å; G844-N847 PolarHBondContact O-N 2.68Å |
| 845 | N | 52.2 | Low | 59.8 | Low | 151 Ų | 151 | 101.3 Ų | 101.3 | 81% | 0.807 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 21.3 | 177.5 | -154.1 | 56.2 | 0 | 0 | 0 | 114.6 | L841 A843 | L841-N845 PolarHBondContact O-N 3.49Å; A843-N845 VanDerWaalsContact C-N 3.3Å; A843-N845 PolarHBondContact O-N 2.96Å |
| 846 | K | 52.8 | Low | 57.5 | Low | 155 Ų | 155 | 107.1 Ų | 107.1 | 67% | 0.674 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | -6.2 | 176.3 | -64.4 | -168.9 | 174.9 | -170.7 | 0 | 114.4 | A843 G844 V848 | A843-K846 WeakPolarHBondContact O-CB 3.46Å; A843-K846 PolarHBondContact O-N 3.27Å; G844-K846 PolarHBondContact O-N 2.83Å; K846-V848 PolarHBondContact O-N 3.43Å |
| 847 | N | 47.6 | Very low | 55 | Low | 144 Ų | 144 | 105.1 Ų | 105.1 | 77% | 0.77 | 64% | 0.644 | S | S | * | * | trans | -99.8 | 63.8 | -171.2 | -73.1 | 3.6 | 0 | 0 | 0 | 113.7 | G844 | G844-N847 PolarHBondContact O-N 2.68Š| ||
| 848 | V | 40.5 | Very low | 53.1 | Low | 135 Ų | 135 | 111.2 Ų | 111.2 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | -138.6 | 119.4 | 162.1 | -176 | 0 | 0 | 0 | 0 | 108.9 | K846 | K846-V848 PolarHBondContact O-N 3.43Š| ||
| 849 | P | 45.3 | Very low | 51.4 | Low | 108 Ų | 108 | 115.1 Ų | 115.1 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | trans | -98.4 | 143.2 | -174.8 | 35.2 | -32.8 | 0 | 0 | 0 | 114.8 | ||||
| 850 | N | 36.1 | Very low | 49.7 | Very low | 160 Ų | 160 | 117 Ų | 117 | 86% | 0.856 | 70% | 0.702 | S | S | * | * | trans | 69.8 | 150 | 164.2 | -55.2 | -16.7 | 0 | 0 | 0 | 116.9 | ||||
| 851 | S | 36.3 | Very low | 48.5 | Very low | 109 Ų | 109 | 116.2 Ų | 116.2 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | cis | -149.1 | 141 | 12.8 | -159.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 852 | A | 41.4 | Very low | 47.6 | Very low | 86 Ų | 86 | 115.3 Ų | 115.3 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | trans | 65.4 | 150.2 | 147.1 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 853 | V | 39 | Very low | 46.7 | Very low | 154 Ų | 154 | 114.8 Ų | 114.8 | 93% | 0.933 | 70% | 0.701 | S | S | * | * | trans | 80.1 | 142.7 | 169 | -164.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 854 | A | 40.3 | Very low | 46.8 | Very low | 97 Ų | 97 | 114.8 Ų | 114.8 | 80% | 0.802 | 69% | 0.693 | S | S | * | * | trans | -110.7 | 143.3 | -147.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 855 | A | 36.4 | Very low | 47.7 | Very low | 84 Ų | 84 | 119.3 Ų | 119.3 | 69% | 0.694 | 70% | 0.701 | S | S | * | * | trans | -169.4 | 146.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 856 | P | 43.2 | Very low | 48.8 | Very low | 125 Ų | 125 | 121 Ų | 121 | 81% | 0.812 | 70% | 0.696 | S | S | * | * | trans | -95 | 97.9 | -177.8 | 34.9 | -32.8 | 0 | 0 | 0 | 114.1 | R858 | P856-R858 PolarHBondContact O-N 3.01Š| ||
| 857 | N | 37.6 | Very low | 50 | Low | 135 Ų | 135 | 115.5 Ų | 115.5 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | trans | -78.5 | 114.8 | 175.5 | -79.7 | -26.7 | 0 | 0 | 0 | 112.8 | T859 | N857-T859 VanDerWaalsContact C-N 3.3Å; N857-T859 PolarHBondContact O-N 3.36Å | ||
| 858 | R | 47.3 | Very low | 51.7 | Low | 243 Ų | 243 | 110.7 Ų | 110.7 | 92% | 0.917 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 0.5 | -179.1 | -78 | -172.7 | 170.1 | -170.1 | -2.2 | 115.9 | P856 | P856-R858 PolarHBondContact O-N 3.01Š|
| 859 | T | 47.8 | Very low | 53.9 | Low | 116 Ų | 116 | 107.4 Ų | 107.4 | 71% | 0.712 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -10.2 | -167.1 | 46.6 | 0 | 0 | 0 | 0 | 116 | N857 | N857-T859 VanDerWaalsContact C-N 3.3Å; N857-T859 PolarHBondContact O-N 3.36Å |
| 860 | S | 49.3 | Very low | 55.9 | Low | 79 Ų | 79 | 109 Ų | 109 | 55% | 0.552 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -76.7 | -32.1 | -172.7 | 53.4 | 0 | 0 | 0 | 0 | 115 | I862 S863 D864 | S860-I862 VanDerWaalsContact C-N 3.35Å; S860-I862 PolarHBondContact O-N 3.01Å; S860-S863 PolarHBondContact O-N 3Å; S860-D864 PolarHBondContact O-N 3.38Å |
| 861 | G | 54.8 | Low | 58.3 | Low | 43 Ų | 43 | 102.9 Ų | 102.9 | 44% | 0.443 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.4 | -37.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S863 D864 E865 | G861-S863 VanDerWaalsContact C-N 3.31Å; G861-S863 PolarHBondContact O-N 2.9Å; G861-D864 PolarHBondContact O-N 2.97Å; G861-E865 PolarHBondContact O-N 3.34Å |
| 862 | I | 55.7 | Low | 60.8 | Low | 109 Ų | 109 | 104.7 Ų | 104.7 | 56% | 0.559 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.7 | -31.3 | -174.7 | -60.6 | 171.4 | 0 | 0 | 0 | 111.9 | S860 R866 | S860-I862 VanDerWaalsContact C-N 3.35Å; S860-I862 PolarHBondContact O-N 3.01Å; I862-R866 WeakPolarHBondContact O-CG 3.22Å; I862-R866 PolarHBondContact O-N 2.86Å |
| 863 | S | 55.3 | Low | 63.3 | Low | 68 Ų | 68 | 106.1 Ų | 106.1 | 48% | 0.476 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -73.9 | -43.4 | 173.6 | -163.2 | 0 | 0 | 0 | 0 | 111.2 | S860 G861 E865 R866 D867 | S860-S863 PolarHBondContact O-N 3Å; G861-S863 VanDerWaalsContact C-N 3.31Å; G861-S863 PolarHBondContact O-N 2.9Å; S863-E865 VanDerWaalsContact C-N 3.3Å; S863-E865 PolarHBondContact O-N 2.76Å; S863-R866 PolarHBondContact O-N 2.83Å; S863-D867 PolarHBondContact O-N 3.47Å |
| 864 | D | 67.3 | Low | 65.8 | Low | 59 Ų | 59 | 100.3 Ų | 100.3 | 32% | 0.316 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.8 | -32.4 | -175.2 | -76.3 | 17.1 | 0 | 0 | 0 | 112.2 | K842 S860 G861 A868 | K842-D864 WeakPolarHBondContact CE-OD1 3.28Å; K842-D864 WeakPolarHBondContact CE-OD2 3.24Å; K842-D864 IonicContact NZ-OD1 2.6Å; K842-D864 PolarHBondContact NZ-OD1 3.2Å; K842-D864 IonicContact NZ-OD2 2.75Å; K842-D864 PolarHBondContact NZ-OD2 3.45Å; S860-D864 PolarHBondContact O-N 3.38Å; G861-D864 PolarHBondContact O-N 2.97Å; D864-A868 VanDerWaalsContact O-CB 3.26Å; D864-A868 WeakPolarHBondContact O-CB 3.5Å; D864-A868 PolarHBondContact O-N 2.92Å |
| 865 | E | 75.8 | Confident | 68.3 | Low | 146 Ų | 146 | 100.7 Ų | 100.7 | 68% | 0.682 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.3 | -44.6 | 171.7 | -172.5 | 167 | -150.3 | 0 | 0 | 112.3 | G861 S863 D867 A868 E869 | G861-E865 PolarHBondContact O-N 3.34Å; S863-E865 VanDerWaalsContact C-N 3.3Å; S863-E865 PolarHBondContact O-N 2.76Å; E865-D867 VanDerWaalsContact C-N 3.34Å; E865-D867 PolarHBondContact O-N 3.43Å; E865-A868 WeakPolarHBondContact O-CB 3.35Å; E865-A868 PolarHBondContact O-N 2.84Å; E865-A868 VanDerWaalsContact O-N 3.16Å; E865-E869 WeakPolarHBondContact O-CB 3.3Å; E865-E869 PolarHBondContact O-N 2.68Å |
| 866 | R | 75.8 | Confident | 70.9 | Confident | 185 Ų | 185 | 100.5 Ų | 100.5 | 70% | 0.698 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60 | -42.3 | 173.5 | -75.5 | 177.5 | -179.4 | 173.3 | 1.4 | 112.3 | I862 S863 E869 R870 | I862-R866 WeakPolarHBondContact O-CG 3.22Å; I862-R866 PolarHBondContact O-N 2.86Å; S863-R866 PolarHBondContact O-N 2.83Å; R866-E869 PolarHBondContact O-N 3.03Å; R866-R870 WeakPolarHBondContact O-CB 3.36Å; R866-R870 PolarHBondContact O-N 2.92Å |
| 867 | D | 78.6 | Confident | 73.1 | Confident | 41 Ų | 41 | 102.4 Ų | 102.4 | 22% | 0.219 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -71 | -31.5 | 176.2 | -73.7 | -34.6 | 0 | 0 | 0 | 112.1 | S863 E865 R870 R871 | S863-D867 PolarHBondContact O-N 3.47Å; E865-D867 VanDerWaalsContact C-N 3.34Å; E865-D867 PolarHBondContact O-N 3.43Å; D867-R870 IonicContact OD1-CZ 2.72Å; D867-R870 IonicContact OD1-NH1 2.98Å; D867-R870 PolarHBondContact OD1-NH1 2.87Å; D867-R871 VanDerWaalsContact C-NH2 3.29Å; D867-R871 WeakPolarHBondContact O-CB 3.44Å; D867-R871 VanDerWaalsContact O-CG 3.3Å; D867-R871 WeakPolarHBondContact O-CG 3.48Å; D867-R871 VanDerWaalsContact O-CZ 3.26Å; D867-R871 PolarHBondContact O-N 2.88Å; D867-R871 PolarHBondContact O-NE 2.64Å; D867-R871 PolarHBondContact O-NH2 3.04Å |
| 868 | A | 82.9 | Confident | 75.7 | Confident | 42 Ų | 42 | 96 Ų | 96 | 35% | 0.347 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D864 E865 R871 R872 | D864-A868 VanDerWaalsContact O-CB 3.26Å; D864-A868 WeakPolarHBondContact O-CB 3.5Å; D864-A868 PolarHBondContact O-N 2.92Å; E865-A868 WeakPolarHBondContact O-CB 3.35Å; E865-A868 PolarHBondContact O-N 2.84Å; E865-A868 VanDerWaalsContact O-N 3.16Å; A868-R871 VanDerWaalsContact N-NH2 3.14Å; A868-R871 PolarHBondContact O-N 3.15Å; A868-R872 WeakPolarHBondContact O-CB 3.48Å; A868-R872 PolarHBondContact O-N 2.68Å |
| 869 | E | 87.1 | Confident | 77.8 | Confident | 66 Ų | 66 | 91.9 Ų | 91.9 | 31% | 0.308 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.3 | -39.1 | 177.3 | -177 | 50.9 | -149.4 | 0 | 0 | 111.8 | E865 R866 R871 R872 Q873 | E865-E869 WeakPolarHBondContact O-CB 3.3Å; E865-E869 PolarHBondContact O-N 2.68Å; R866-E869 PolarHBondContact O-N 3.03Å; E869-R871 VanDerWaalsContact C-N 3.35Å; E869-R871 PolarHBondContact O-N 2.93Å; E869-R872 CarbonylContact O-C 3.51Å; E869-R872 WeakPolarHBondContact O-CA 3.25Å; E869-R872 WeakPolarHBondContact O-CB 3.4Å; E869-R872 PolarHBondContact O-N 2.99Å; E869-R872 IonicContact OE1-NH1 2.66Å; E869-R872 PolarHBondContact OE1-NH1 2.74Å; E869-R872 WeakPolarHBondContact OE2-CD 3.41Å; E869-R872 IonicContact OE2-CZ 3.97Å; E869-R872 IonicContact OE2-NE 3.9Å; E869-R872 IonicContact OE2-NH1 3.19Å; E869-R872 PolarHBondContact OE2-NH1 2.82Å; E869-Q873 WeakPolarHBondContact O-CG 3.42Å; E869-Q873 PolarHBondContact O-N 2.92Å; E869-Q873 WeakPolarHBondContact OE1-CG 3.31Å; E869-Q873 PolarHBondContact OE1-NE2 2.85Å |
| 870 | R | 85.3 | Confident | 79.8 | Confident | 142 Ų | 142 | 92.4 Ų | 92.4 | 54% | 0.536 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -55.6 | -48.2 | 169 | -177.2 | -173.7 | -73.7 | 145.6 | -5.3 | 111.4 | R866 D867 R872 Q873 L874 | R866-R870 WeakPolarHBondContact O-CB 3.36Å; R866-R870 PolarHBondContact O-N 2.92Å; D867-R870 IonicContact OD1-CZ 2.72Å; D867-R870 IonicContact OD1-NH1 2.98Å; D867-R870 PolarHBondContact OD1-NH1 2.87Å; R870-R872 VanDerWaalsContact C-N 3.26Å; R870-R872 PolarHBondContact O-N 3.19Å; R870-Q873 PolarHBondContact O-N 3.42Å; R870-L874 WeakPolarHBondContact O-CG 3.37Å; R870-L874 PolarHBondContact O-N 3.44Å |
| 871 | R | 87.1 | Confident | 81.7 | Confident | 32 Ų | 32 | 90.1 Ų | 90.1 | 12% | 0.121 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.7 | -29.7 | 175.7 | -71.9 | 179.7 | -65.2 | -105.7 | -6 | 112.7 | D838 D867 A868 E869 R875 | D838-R871 HydrophobicContact CB-CG 3.81Å; D838-R871 PolarHBondContact O-NH1 2.76Å; D838-R871 VanDerWaalsContact O-NH1 3.13Å; D867-R871 VanDerWaalsContact C-NH2 3.29Å; D867-R871 WeakPolarHBondContact O-CB 3.44Å; D867-R871 VanDerWaalsContact O-CG 3.3Å; D867-R871 WeakPolarHBondContact O-CG 3.48Å; D867-R871 VanDerWaalsContact O-CZ 3.26Å; D867-R871 PolarHBondContact O-N 2.88Å; D867-R871 PolarHBondContact O-NE 2.64Å; D867-R871 PolarHBondContact O-NH2 3.04Å; A868-R871 VanDerWaalsContact N-NH2 3.14Å; A868-R871 PolarHBondContact O-N 3.15Å; E869-R871 VanDerWaalsContact C-N 3.35Å; E869-R871 PolarHBondContact O-N 2.93Å; R871-R875 WeakPolarHBondContact O-CG 3.35Å; R871-R875 VanDerWaalsContact O-CZ 3.29Å; R871-R875 PolarHBondContact O-N 3.22Å; R871-R875 PolarHBondContact O-NE 3.48Å |
| 872 | R | 89.6 | Confident | 83.2 | Confident | 147 Ų | 147 | 91 Ų | 91 | 56% | 0.555 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -71.7 | -44.7 | 175.1 | -178 | 164.6 | 167.6 | -102.1 | 1.7 | 111.5 | A868 E869 R870 L874 R875 E876 | A868-R872 WeakPolarHBondContact O-CB 3.48Å; A868-R872 PolarHBondContact O-N 2.68Å; E869-R872 CarbonylContact O-C 3.51Å; E869-R872 WeakPolarHBondContact O-CA 3.25Å; E869-R872 WeakPolarHBondContact O-CB 3.4Å; E869-R872 PolarHBondContact O-N 2.99Å; E869-R872 IonicContact OE1-NH1 2.66Å; E869-R872 PolarHBondContact OE1-NH1 2.74Å; E869-R872 WeakPolarHBondContact OE2-CD 3.41Å; E869-R872 IonicContact OE2-CZ 3.97Å; E869-R872 IonicContact OE2-NE 3.9Å; E869-R872 IonicContact OE2-NH1 3.19Å; E869-R872 PolarHBondContact OE2-NH1 2.82Å; R870-R872 VanDerWaalsContact C-N 3.26Å; R870-R872 PolarHBondContact O-N 3.19Å; R872-L874 PolarHBondContact O-N 3.48Å; R872-R875 PolarHBondContact O-N 2.85Å; R872-E876 PolarHBondContact O-N 3.24Å |
| 873 | Q | 92.8 | Very high | 84.5 | Confident | 115 Ų | 115 | 88.4 Ų | 88.4 | 54% | 0.537 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 176 | -68.9 | 169.3 | 11.4 | 0 | 0 | 112.6 | E869 R870 R875 E876 R877 | E869-Q873 WeakPolarHBondContact O-CG 3.42Å; E869-Q873 PolarHBondContact O-N 2.92Å; E869-Q873 WeakPolarHBondContact OE1-CG 3.31Å; E869-Q873 PolarHBondContact OE1-NE2 2.85Å; R870-Q873 PolarHBondContact O-N 3.42Å; Q873-R875 PolarHBondContact O-N 3.22Å; Q873-E876 PolarHBondContact O-N 2.82Å; Q873-R877 WeakPolarHBondContact O-CB 3.34Å; Q873-R877 PolarHBondContact O-N 3.31Å |
| 874 | L | 92.2 | Very high | 85.8 | Confident | 33 Ų | 33 | 88.8 Ų | 88.8 | 17% | 0.173 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 174 | -71.6 | 173.4 | 0 | 0 | 0 | 112.3 | L831 Q834 A835 R870 R872 A878 | L831-L874 HydrophobicContact CD2-CD2 3.87Å; Q834-L874 HydrophobicContact CG-CD1 4.29Å; A835-L874 HydrophobicContact CB-CB 3.87Å; A835-L874 HydrophobicContact CB-CD1 4.14Å; R870-L874 WeakPolarHBondContact O-CG 3.37Å; R870-L874 PolarHBondContact O-N 3.44Å; R872-L874 PolarHBondContact O-N 3.48Å; L874-A878 WeakPolarHBondContact O-CB 3.34Å; L874-A878 PolarHBondContact O-N 2.91Å; L874-A878 VanDerWaalsContact O-N 3.09Å |
| 875 | R | 92.1 | Very high | 86.3 | Confident | 105 Ų | 105 | 86 Ų | 86 | 40% | 0.396 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 175.9 | -73.1 | -177.9 | -66.8 | -108.8 | 0.4 | 112.6 | L832 A835 R871 R872 Q873 A878 R879 | L832-R875 HydrophobicContact CD2-CB 4.28Å; L832-R875 HydrophobicContact CD2-CG 3.91Å; A835-R875 HydrophobicContact CB-CG 4.14Å; R871-R875 WeakPolarHBondContact O-CG 3.35Å; R871-R875 VanDerWaalsContact O-CZ 3.29Å; R871-R875 PolarHBondContact O-N 3.22Å; R871-R875 PolarHBondContact O-NE 3.48Å; R872-R875 PolarHBondContact O-N 2.85Å; Q873-R875 PolarHBondContact O-N 3.22Å; R875-A878 PolarHBondContact O-N 3.17Å; R875-R879 WeakPolarHBondContact O-CG 3.28Å; R875-R879 PolarHBondContact O-N 3.25Å |
| 876 | E | 91.9 | Very high | 86.2 | Confident | 80 Ų | 80 | 89 Ų | 89 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -73.3 | -37.9 | -178.9 | -152.4 | 57.2 | -138.5 | 0 | 0 | 112.2 | R872 Q873 A878 R879 Q880 | R872-E876 PolarHBondContact O-N 3.24Å; Q873-E876 PolarHBondContact O-N 2.82Å; E876-A878 VanDerWaalsContact C-N 3.31Å; E876-A878 PolarHBondContact O-N 2.72Å; E876-R879 WeakPolarHBondContact O-CB 3.03Å; E876-R879 PolarHBondContact O-N 3.46Å; E876-R879 WeakPolarHBondContact OE1-CD 3.44Å; E876-R879 IonicContact OE1-NH1 3.8Å; E876-R879 VanDerWaalsContact OE2-CD 3.24Å; E876-R879 WeakPolarHBondContact OE2-CD 3.27Å; E876-R879 IonicContact OE2-CZ 2.75Å; E876-R879 IonicContact OE2-NE 3.74Å; E876-R879 IonicContact OE2-NH1 3.47Å; E876-R879 PolarHBondContact OE2-NH1 3.31Å; E876-Q880 WeakPolarHBondContact O-CG 3.45Å; E876-Q880 PolarHBondContact O-N 3.31Å |
| 877 | R | 88.6 | Confident | 85.9 | Confident | 165 Ų | 165 | 84.2 Ų | 84.2 | 62% | 0.623 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.2 | -36.9 | 171.1 | -169 | 175.7 | -173.9 | 169.2 | 3.1 | 112.1 | L831 Q873 Q880 L881 | L831-R877 HydrophobicContact CD1-CB 4.17Å; L831-R877 HydrophobicContact CD1-CG 3.89Å; Q873-R877 WeakPolarHBondContact O-CB 3.34Å; Q873-R877 PolarHBondContact O-N 3.31Å; R877-Q880 PolarHBondContact O-N 3.22Å; R877-L881 PolarHBondContact O-N 3.31Å; R877-L881 VanDerWaalsContact O-N 3.1Å |
| 878 | A | 92.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 85.2 Ų | 85.2 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.6 | -40 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A828 L831 L832 L874 R875 E876 Q880 L881 I882 | A828-A878 HydrophobicContact CB-CB 4.19Å; A828-A878 WeakPolarHBondContact CB-O 3.17Å; A828-A878 WeakPolarHBondContact O-CB 3.24Å; L831-A878 HydrophobicContact CB-CB 4.07Å; L832-A878 HydrophobicContact CD1-CB 4.24Å; L832-A878 HydrophobicContact CD2-CB 3.74Å; L832-A878 HydrophobicContact CG-CB 3.6Å; L874-A878 WeakPolarHBondContact O-CB 3.34Å; L874-A878 PolarHBondContact O-N 2.91Å; L874-A878 VanDerWaalsContact O-N 3.09Å; R875-A878 PolarHBondContact O-N 3.17Å; E876-A878 VanDerWaalsContact C-N 3.31Å; E876-A878 PolarHBondContact O-N 2.72Å; A878-Q880 VanDerWaalsContact C-N 3.33Å; A878-Q880 PolarHBondContact O-N 3.22Å; A878-L881 PolarHBondContact O-N 2.75Å; A878-I882 WeakPolarHBondContact O-CG1 3.43Å; A878-I882 PolarHBondContact O-N 2.98Å |
| 879 | R | 91.3 | Very high | 82.4 | Confident | 157 Ų | 157 | 89.5 Ų | 89.5 | 59% | 0.592 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60 | -41.8 | 173.4 | -74.8 | 164.6 | 163.9 | -167.1 | -9.8 | 112 | R875 E876 I882 A883 | R875-R879 WeakPolarHBondContact O-CG 3.28Å; R875-R879 PolarHBondContact O-N 3.25Å; E876-R879 WeakPolarHBondContact O-CB 3.03Å; E876-R879 PolarHBondContact O-N 3.46Å; E876-R879 WeakPolarHBondContact OE1-CD 3.44Å; E876-R879 IonicContact OE1-NH1 3.8Å; E876-R879 VanDerWaalsContact OE2-CD 3.24Å; E876-R879 WeakPolarHBondContact OE2-CD 3.27Å; E876-R879 IonicContact OE2-CZ 2.75Å; E876-R879 IonicContact OE2-NE 3.74Å; E876-R879 IonicContact OE2-NH1 3.47Å; E876-R879 PolarHBondContact OE2-NH1 3.31Å; R879-I882 PolarHBondContact O-N 2.81Å; R879-A883 WeakPolarHBondContact O-CB 3.33Å; R879-A883 PolarHBondContact O-N 3.48Å |
| 880 | Q | 89.9 | Confident | 79.7 | Confident | 126 Ų | 126 | 95.6 Ų | 95.6 | 59% | 0.589 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.4 | -45.1 | 175.8 | -70.4 | 170.9 | -2.2 | 0 | 0 | 112.1 | E876 R877 A878 I882 A883 E884 | E876-Q880 WeakPolarHBondContact O-CG 3.45Å; E876-Q880 PolarHBondContact O-N 3.31Å; R877-Q880 PolarHBondContact O-N 3.22Å; A878-Q880 VanDerWaalsContact C-N 3.33Å; A878-Q880 PolarHBondContact O-N 3.22Å; Q880-I882 VanDerWaalsContact C-N 3.34Å; Q880-I882 PolarHBondContact O-N 3.4Å; Q880-A883 WeakPolarHBondContact O-CB 3.09Å; Q880-A883 PolarHBondContact O-N 3.5Å; Q880-A883 VanDerWaalsContact O-N 3.16Å; Q880-E884 PolarHBondContact O-N 3.31Å |
| 881 | L | 88.5 | Confident | 77.2 | Confident | 31 Ų | 31 | 95.7 Ų | 95.7 | 16% | 0.162 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65.3 | -34.3 | 175.4 | -69.6 | 173.1 | 0 | 0 | 0 | 112.9 | L824 R827 A828 L831 R877 A878 A885 | L824-L881 HydrophobicContact CD2-CD2 3.79Å; R827-L881 HydrophobicContact CB-CD1 4.13Å; A828-L881 HydrophobicContact CB-CB 3.81Å; A828-L881 HydrophobicContact CB-CD1 4.42Å; L831-L881 HydrophobicContact CD1-CD1 3.8Å; R877-L881 PolarHBondContact O-N 3.31Å; R877-L881 VanDerWaalsContact O-N 3.1Å; A878-L881 PolarHBondContact O-N 2.75Å; L881-A885 WeakPolarHBondContact O-CB 3.22Å; L881-A885 PolarHBondContact O-N 3Å |
| 882 | I | 86.3 | Confident | 74.7 | Confident | 62 Ų | 62 | 98.3 Ų | 98.3 | 32% | 0.318 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.8 | -33.5 | 172.8 | -70.3 | 162.6 | 0 | 0 | 0 | 111.3 | A828 L832 A878 R879 Q880 R886 | A828-I882 HydrophobicContact CB-CD1 4.02Å; A828-I882 HydrophobicContact CB-CG1 3.63Å; L832-I882 HydrophobicContact CD1-CD1 4.35Å; A878-I882 WeakPolarHBondContact O-CG1 3.43Å; A878-I882 PolarHBondContact O-N 2.98Å; R879-I882 PolarHBondContact O-N 2.81Å; Q880-I882 VanDerWaalsContact C-N 3.34Å; Q880-I882 PolarHBondContact O-N 3.4Å; I882-R886 WeakPolarHBondContact O-CB 3.35Å; I882-R886 WeakPolarHBondContact O-CG 3.44Å; I882-R886 PolarHBondContact O-N 3.25Å |
| 883 | A | 83.6 | Confident | 71.9 | Confident | 54 Ų | 54 | 98.2 Ų | 98.2 | 45% | 0.446 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.5 | -45.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R879 Q880 A885 R886 S887 | R879-A883 WeakPolarHBondContact O-CB 3.33Å; R879-A883 PolarHBondContact O-N 3.48Å; Q880-A883 WeakPolarHBondContact O-CB 3.09Å; Q880-A883 PolarHBondContact O-N 3.5Å; Q880-A883 VanDerWaalsContact O-N 3.16Å; A883-A885 VanDerWaalsContact C-N 3.32Å; A883-A885 PolarHBondContact O-N 2.83Å; A883-R886 CarbonylContact O-C 3.59Å; A883-R886 WeakPolarHBondContact O-CA 3.03Å; A883-R886 WeakPolarHBondContact O-CB 3.39Å; A883-R886 PolarHBondContact O-N 3.22Å; A883-S887 PolarHBondContact O-N 3.17Å; A883-S887 PolarHBondContact O-OG 3.33Å |
| 884 | E | 83.6 | Confident | 68.7 | Low | 76 Ų | 76 | 101 Ų | 101 | 36% | 0.355 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 172.7 | -170.4 | -168.2 | 155.5 | 0 | 0 | 111.1 | R820 L824 Q880 R886 S887 | R820-E884 IonicContact CZ-OE1 3.1Å; R820-E884 IonicContact NH2-OE1 2.66Å; R820-E884 PolarHBondContact NH2-OE1 2.9Å; L824-E884 HydrophobicContact CD1-CB 4.42Å; L824-E884 HydrophobicContact CD1-CG 3.96Å; Q880-E884 PolarHBondContact O-N 3.31Å; E884-R886 PolarHBondContact O-N 3.36Å; E884-S887 WeakPolarHBondContact CA-OG 3.39Å; E884-S887 PolarHBondContact O-N 2.91Å; E884-S887 PolarHBondContact O-OG 3.37Å; E884-S887 VanDerWaalsContact O-OG 3.13Å |
| 885 | A | 77.9 | Confident | 65.7 | Low | 2 Ų | 2 | 103.3 Ų | 103.3 | 2% | 0.017 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q821 L824 K825 L881 A883 | Q821-A885 VanDerWaalsContact CD-O 3.32Å; Q821-A885 HydrophobicContact CG-CB 4.17Å; Q821-A885 WeakPolarHBondContact CG-O 3.23Å; Q821-A885 PolarHBondContact NE2-O 3.47Å; L824-A885 HydrophobicContact CB-CB 3.87Å; L824-A885 HydrophobicContact CD1-CB 4.43Å; K825-A885 HydrophobicContact CG-CB 3.96Å; L881-A885 WeakPolarHBondContact O-CB 3.22Å; L881-A885 PolarHBondContact O-N 3Å; A883-A885 VanDerWaalsContact C-N 3.32Å; A883-A885 PolarHBondContact O-N 2.83Å |
| 886 | R | 72.9 | Confident | 62.6 | Low | 208 Ų | 208 | 106.7 Ų | 106.7 | 79% | 0.785 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -31.2 | 175.2 | -84.5 | 177.9 | 149.9 | -166.4 | -8.4 | 112.9 | I882 A883 E884 G888 | I882-R886 WeakPolarHBondContact O-CB 3.35Å; I882-R886 WeakPolarHBondContact O-CG 3.44Å; I882-R886 PolarHBondContact O-N 3.25Å; A883-R886 CarbonylContact O-C 3.59Å; A883-R886 WeakPolarHBondContact O-CA 3.03Å; A883-R886 WeakPolarHBondContact O-CB 3.39Å; A883-R886 PolarHBondContact O-N 3.22Å; E884-R886 PolarHBondContact O-N 3.36Å; R886-G888 PolarHBondContact O-N 3Å |
| 887 | S | 70.1 | Confident | 59.5 | Low | 85 Ų | 85 | 109.7 Ų | 109.7 | 59% | 0.594 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -78 | 32.3 | 177.3 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | A883 E884 V889 | A883-S887 PolarHBondContact O-N 3.17Å; A883-S887 PolarHBondContact O-OG 3.33Å; E884-S887 WeakPolarHBondContact CA-OG 3.39Å; E884-S887 PolarHBondContact O-N 2.91Å; E884-S887 PolarHBondContact O-OG 3.37Å; E884-S887 VanDerWaalsContact O-OG 3.13Å; S887-V889 VanDerWaalsContact C-N 3.27Å; S887-V889 PolarHBondContact O-N 3.33Å |
| 888 | G | 50.9 | Low | 56.4 | Low | 61 Ų | 61 | 108.6 Ų | 108.6 | 63% | 0.629 | 58% | 0.577 | S | S | * | * | trans | -76 | 63.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R886 | R886-G888 PolarHBondContact O-N 3Š| ||
| 889 | V | 36 | Very low | 54.3 | Low | 133 Ų | 133 | 114.3 Ų | 114.3 | 81% | 0.806 | 61% | 0.614 | S | S | * | * | trans | -78.3 | 141.1 | 163.2 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | S887 | S887-V889 VanDerWaalsContact C-N 3.27Å; S887-V889 PolarHBondContact O-N 3.33Å | ||
| 890 | K | 31 | Very low | 51.1 | Low | 193 Ų | 193 | 111.2 Ų | 111.2 | 84% | 0.839 | 62% | 0.622 | S | S | * | * | trans | -62.1 | 137.8 | -164.4 | -65 | 178.8 | 179.2 | 178.1 | 0 | 113.4 | ||||
| 891 | I | 33.3 | Very low | 48.1 | Very low | 144 Ų | 144 | 112.9 Ų | 112.9 | 74% | 0.738 | 64% | 0.635 | S | S | * | * | trans | -126 | 118.4 | 163 | -53.8 | 174.4 | 0 | 0 | 0 | 107.1 | ||||
| 892 | S | 34.4 | Very low | 45.2 | Very low | 87 Ų | 87 | 116.7 Ų | 116.7 | 61% | 0.608 | 66% | 0.659 | S | S | * | * | trans | -173.7 | 128.4 | 174.8 | 50.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 893 | D | 30.9 | Very low | 42.4 | Very low | 146 Ų | 146 | 120.5 Ų | 120.5 | 78% | 0.781 | 68% | 0.676 | S | S | * | * | cis | -153.1 | 155.2 | -2.8 | -81.9 | -48.2 | 0 | 0 | 0 | 111.1 | ||||
| 894 | M | 24.3 | Very low | 39.7 | Very low | 173 Ų | 173 | 127.7 Ų | 127.7 | 85% | 0.852 | 69% | 0.691 | S | S | * | * | trans | -166 | 138.6 | 152.7 | -96 | -54.8 | 101.2 | 0 | 0 | 107.5 | ||||
| 895 | S | 29.6 | Very low | 37 | Very low | 82 Ų | 82 | 128.6 Ų | 128.6 | 57% | 0.573 | 71% | 0.706 | S | S | * | * | cis | -158.4 | 154.5 | 2.2 | -168.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 896 | L | 26.8 | Very low | 34.4 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 92% | 0.916 | 75% | 0.749 | S | S | * | * | trans | -144.2 | 161.7 | 157.5 | -84.7 | -179.3 | 0 | 0 | 0 | 108.9 | ||||
| 897 | L | 28 | Very low | 32.1 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | -116 | 149.8 | -159.4 | -67.9 | 169.6 | 0 | 0 | 0 | 114.9 | ||||
| 898 | D | 22.5 | Very low | 30 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | 62.9 | 158.2 | 147.9 | -67.9 | -25.4 | 0 | 0 | 0 | 121.1 | ||||
| 899 | P | 48.4 | Very low | 28.7 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | cis | -134 | -170 | -28.5 | 34.7 | -15.7 | 0 | 0 | 0 | 114 | ||||
| 900 | A | 25.4 | Very low | 28.3 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | 101.8 | 100.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 901 | N | 25.5 | Very low | 28 | Very low | 160 Ų | 160 | 128.7 Ų | 128.7 | 86% | 0.856 | 73% | 0.725 | S | S | * | * | 67.4 | 153.9 | 123.2 | -149.3 | 11.4 | 0 | 0 | 0 | 123.5 | |||||
| 902 | V | 28 | Very low | 27.7 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 67% | 0.673 | 72% | 0.715 | S | S | * | * | trans | 87.6 | 102.8 | 161.1 | -171.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 903 | E | 26.9 | Very low | 27.6 | Very low | 142 Ų | 142 | 125.2 Ų | 125.2 | 66% | 0.664 | 72% | 0.717 | S | S | * | * | trans | 68 | 129.5 | 140.6 | -71.4 | -148.3 | 111.1 | 0 | 0 | 127.7 | ||||
| 904 | R | 28 | Very low | 27.5 | Very low | 205 Ų | 205 | 124.8 Ų | 124.8 | 77% | 0.774 | 71% | 0.714 | S | S | * | * | trans | 51.4 | 98.4 | 131.7 | -70.7 | -170.7 | 164.8 | 130.2 | -10.5 | 123.3 | ||||
| 905 | S | 25.4 | Very low | 27.9 | Very low | 95 Ų | 95 | 122.3 Ų | 122.3 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | 67.2 | 130.5 | 112.1 | 77.6 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 906 | K | 25.1 | Very low | 28 | Very low | 214 Ų | 214 | 125.3 Ų | 125.3 | 93% | 0.93 | 71% | 0.712 | S | S | * | * | trans | 66.9 | 140.9 | 164.5 | -52.8 | 171.6 | -177.3 | 176.5 | 0 | 114.9 | ||||
| 907 | G | 23.6 | Very low | 28.1 | Very low | 64 Ų | 64 | 123.3 Ų | 123.3 | 66% | 0.66 | 70% | 0.703 | S | S | * | * | cis | 152.8 | 156.9 | -7.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 908 | T | 25.7 | Very low | 28 | Very low | 134 Ų | 134 | 122.2 Ų | 122.2 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | trans | 85.8 | 122.2 | 169.5 | -33.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 909 | K | 25 | Very low | 28.3 | Very low | 150 Ų | 150 | 126 Ų | 126 | 65% | 0.652 | 71% | 0.705 | S | S | * | * | trans | 42.4 | 159.8 | 148.1 | -62.8 | -170.4 | 175.9 | -167.2 | 0 | 119.5 | E212 | E212-K909 IonicContact OE1-NZ 2.96Å; E212-K909 PolarHBondContact OE1-NZ 2.93Å | ||
| 910 | A | 26.3 | Very low | 27.5 | Very low | 60 Ų | 60 | 126.6 Ų | 126.6 | 50% | 0.496 | 71% | 0.707 | S | S | . | * | cis | -169.7 | 150.5 | 13 | 0 | 0 | 0 | 0 | 0 | 112.2 | I213 | I213-A910 HydrophobicContact CB-CB 4.49Å; I213-A910 HydrophobicContact CD1-CB 3.34Å; I213-A910 HydrophobicContact CG1-CB 3.76Å; I213-A910 HydrophobicContact CG2-CB 3.93Å | ||
| 911 | A | 25.5 | Very low | 27.7 | Very low | 62 Ų | 62 | 128.4 Ų | 128.4 | 51% | 0.512 | 70% | 0.704 | S | S | . | * | trans | 48.2 | 164.6 | 157 | 0 | 0 | 0 | 0 | 0 | 121.7 | I210 I213 | I210-A911 HydrophobicContact CG1-CB 4.31Å; I213-A911 HydrophobicContact CB-CB 4.37Å; I213-A911 HydrophobicContact CD1-CB 3.87Å; I213-A911 HydrophobicContact CG2-CB 3.96Å | ||
| 912 | G | 27.3 | Very low | 27.8 | Very low | 50 Ų | 50 | 127.8 Ų | 127.8 | 52% | 0.515 | 70% | 0.695 | S | S | . | * | cis | 150 | 123.8 | -18.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 913 | V | 31.1 | Very low | 27.8 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 66% | 0.655 | 70% | 0.695 | S | S | * | * | trans | 66.4 | 143.3 | 158.9 | -141.4 | 0 | 0 | 0 | 0 | 117.6 | I210 | I210-V913 HydrophobicContact CD1-CG2 3.78Å; I210-V913 HydrophobicContact CG2-CG2 3.9Å | ||
| 914 | D | 29.8 | Very low | 28 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | 170.5 | 159.1 | 107.4 | -102.2 | 16 | 0 | 0 | 0 | 111.1 | |||||
| 915 | I | 31.7 | Very low | 28 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 63% | 0.626 | 70% | 0.699 | S | S | * | * | cis | -160.2 | 133.6 | -18.8 | -126 | -178.6 | 0 | 0 | 0 | 111.4 | ||||
| 916 | L | 32 | Very low | 28.1 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 75% | 0.754 | 70% | 0.699 | S | S | * | * | trans | 53.6 | -177.1 | 151.8 | -55.7 | 169.8 | 0 | 0 | 0 | 120.4 | ||||
| 917 | N | 28.4 | Very low | 28.2 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | cis | -156.3 | 176.3 | 5.6 | -138.2 | -9.7 | 0 | 0 | 0 | 109.2 | ||||
| 918 | V | 27.5 | Very low | 28.2 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | cis | -150.7 | -138.5 | 2.5 | 67.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 919 | R | 27.8 | Very low | 29 | Very low | 221 Ų | 221 | 129 Ų | 129 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | trans | -159.5 | -176.4 | -170.7 | -94 | -178.9 | 164.6 | 154.9 | -6.8 | 112.9 | ||||
| 920 | T | 32.5 | Very low | 29.1 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 81% | 0.81 | 70% | 0.704 | S | S | * | * | trans | 117 | 162.1 | 148.6 | 63.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 921 | N | 29.6 | Very low | 29 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | cis | -172.8 | 168.5 | -44.4 | -102 | 50.1 | 0 | 0 | 0 | 106.4 | ||||
| 922 | Q | 26.2 | Very low | 28.8 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | cis | -162.7 | 179.1 | -24.1 | 177.6 | 161.7 | 8.4 | 0 | 0 | 108.8 | ||||
| 923 | E | 28.7 | Very low | 28.6 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | trans | -66.8 | 160.6 | -178.2 | -47.1 | 148.2 | 92.4 | 0 | 0 | 117.6 | ||||
| 924 | L | 31.1 | Very low | 28.3 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | 154.7 | 148.9 | 112.2 | -96.6 | 162 | 0 | 0 | 0 | 118 | |||||
| 925 | R | 26.8 | Very low | 29 | Very low | 207 Ų | 207 | 138.5 Ų | 138.5 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | trans | 89.6 | 111.7 | 150.8 | -74.6 | 170.1 | -168.5 | -126.8 | 1.1 | 125.1 | ||||
| 926 | N | 29.2 | Very low | 28.7 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 66% | 0.658 | 75% | 0.746 | S | S | * | * | 56.9 | 130 | 121.4 | -55.9 | 8.2 | 0 | 0 | 0 | 124.7 | |||||
| 927 | H | 26.3 | Very low | 28.4 | Very low | 190 Ų | 190 | 137.5 Ų | 137.5 | 88% | 0.88 | 74% | 0.742 | S | S | * | * | 166.6 | 165.8 | 107.7 | -89.9 | -76.4 | 0 | 0 | 0 | 113.4 | |||||
| 928 | G | 24.8 | Very low | 28.3 | Very low | 67 Ų | 67 | 137.1 Ų | 137.1 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | -129.3 | -164.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 929 | P | 42.2 | Very low | 28.1 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | cis | -148.8 | -177.6 | 18.1 | 47.1 | -27 | 0 | 0 | 0 | 118.6 | ||||
| 930 | V | 25.8 | Very low | 28 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | trans | 45.3 | 139.8 | 132.7 | 167 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 931 | C | 24.3 | Very low | 27.7 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 70% | 0.703 | 74% | 0.735 | S | S | * | * | cis | -166.8 | -169.6 | 11.9 | -141.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 932 | Q | 22.4 | Very low | 27.4 | Very low | 176 Ų | 176 | 136 Ų | 136 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | 71.3 | 150.9 | 152.2 | -77.5 | 168.1 | -26.5 | 0 | 0 | 121.6 | ||||
| 933 | C | 23.6 | Very low | 27.3 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 68% | 0.676 | 74% | 0.736 | S | S | * | * | cis | -176 | 142 | -29.5 | -111.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 934 | I | 24.4 | Very low | 27.1 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | trans | 70.2 | 147.6 | 142.3 | -68.8 | 167.6 | 0 | 0 | 0 | 119.8 | ||||
| 935 | P | 44.4 | Very low | 26.7 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 63% | 0.63 | 74% | 0.739 | S | S | * | * | cis | -143.2 | -166.8 | -34.4 | 43.5 | -22.3 | 0 | 0 | 0 | 116.4 | ||||
| 936 | N | 25.1 | Very low | 26.5 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | trans | 66 | 159.8 | 151.2 | -75.9 | 10.7 | 0 | 0 | 0 | 121.3 | ||||
| 937 | S | 26.3 | Very low | 26.4 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | cis | -169.8 | 159.8 | -13.4 | 47.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 938 | N | 25.3 | Very low | 26.5 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | trans | 52.5 | 123.3 | 150.4 | -71.9 | 41 | 0 | 0 | 0 | 122.5 | ||||
| 939 | E | 24.5 | Very low | 26.5 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | 82.7 | 133.6 | 107.7 | -68.1 | -178.3 | 126.7 | 0 | 0 | 115.9 | |||||
| 940 | L | 25.8 | Very low | 25.7 | Very low | 147 Ų | 147 | 129 Ų | 129 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | -164.5 | 162.9 | 74.3 | -158.1 | 72.2 | 0 | 0 | 0 | 112.6 | |||||
| 941 | C | 25.5 | Very low | 25.6 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | trans | -97.8 | 156.6 | 168.9 | -56.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 942 | Q | 23.4 | Very low | 25.7 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | trans | 156.1 | 150 | 155.8 | -88 | 157.6 | 96 | 0 | 0 | 108.8 | ||||
| 943 | T | 24.4 | Very low | 25.9 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 64% | 0.644 | 73% | 0.734 | S | S | * | * | cis | -157.3 | 151.8 | 2.5 | 4.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 944 | N | 23.5 | Very low | 26.2 | Very low | 151 Ų | 151 | 126.3 Ų | 126.3 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | 28.2 | 154.3 | 129.6 | -59.5 | -10.7 | 0 | 0 | 0 | 122.2 | |||||
| 945 | S | 22 | Very low | 26.6 | Very low | 95 Ų | 95 | 125.4 Ų | 125.4 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | cis | 173.3 | 165.4 | -13.5 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 946 | S | 24.5 | Very low | 25.7 | Very low | 93 Ų | 93 | 127.3 Ų | 127.3 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | trans | 66.7 | 163.8 | 149.6 | 152.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 947 | Y | 26.7 | Very low | 25.9 | Very low | 215 Ų | 215 | 124.3 Ų | 124.3 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | cis | -178.9 | 161.6 | -32.6 | -82 | -36.6 | 0 | 0 | 0 | 106 | ||||
| 948 | A | 28 | Very low | 26.2 | Very low | 75 Ų | 75 | 129 Ų | 129 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | cis | -171.9 | -158.4 | -21.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 949 | L | 25.1 | Very low | 26.3 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | 73 | 159.8 | 168.5 | -46.9 | 176.2 | 0 | 0 | 0 | 116.4 | ||||
| 950 | S | 24 | Very low | 26.6 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | cis | -170.7 | 139.8 | -32.3 | -95.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 951 | S | 24.5 | Very low | 26.8 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | 72.7 | 152.5 | 141.2 | -57.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 952 | L | 26.5 | Very low | 27.4 | Very low | 174 Ų | 174 | 127.7 Ų | 127.7 | 91% | 0.911 | 73% | 0.731 | S | S | * | * | trans | 74 | 144.4 | 165.1 | -63.2 | 163 | 0 | 0 | 0 | 117.3 | ||||
| 953 | S | 27.3 | Very low | 27.5 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | cis | -141.7 | 142.1 | -4 | 52.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 954 | G | 28.3 | Very low | 27.7 | Very low | 70 Ų | 70 | 130.8 Ų | 130.8 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | 94.6 | 137.5 | 88.9 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 955 | T | 32.9 | Very low | 28 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | cis | -145.1 | -155.1 | 10.5 | 50.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 956 | N | 26 | Very low | 28.4 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | cis | -163.7 | 169.6 | 10.3 | -142.7 | -15.7 | 0 | 0 | 0 | 114.8 | ||||
| 957 | S | 30.2 | Very low | 28.4 | Very low | 89 Ų | 89 | 139 Ų | 139 | 62% | 0.622 | 75% | 0.75 | S | S | * | * | trans | -2.6 | 129.6 | 145.9 | -107.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 958 | K | 32.9 | Very low | 28.3 | Very low | 192 Ų | 192 | 133.2 Ų | 133.2 | 84% | 0.835 | 74% | 0.738 | S | S | * | * | cis | -166.1 | 173 | 37.3 | -86.1 | -169.4 | -174.6 | 175 | 0 | 111.9 | ||||
| 959 | H | 26.3 | Very low | 28.1 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | cis | -177.2 | 104.1 | -23.7 | 173.1 | -82.1 | 0 | 0 | 0 | 113.5 | ||||
| 960 | V | 31.2 | Very low | 28 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | trans | 71.3 | 136.2 | 134.9 | -175.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 961 | D | 30.6 | Very low | 27.9 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | 74.5 | 150.6 | 152.7 | -81.7 | 8.4 | 0 | 0 | 0 | 123.9 | ||||
| 962 | L | 36.2 | Very low | 27.7 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | cis | -170.2 | 177.4 | -22.3 | -125.7 | -178.4 | 0 | 0 | 0 | 112.7 | ||||
| 963 | K | 27.4 | Very low | 27.8 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | trans | 76.4 | 121.9 | 168.7 | -61.6 | 168 | -175.7 | 169.6 | 0 | 117.1 | ||||
| 964 | L | 28 | Very low | 28.9 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | cis | 88.8 | 128.8 | 3.2 | -134.5 | 167.5 | 0 | 0 | 0 | 117.6 | ||||
| 965 | K | 30 | Very low | 28.9 | Very low | 192 Ų | 192 | 140 Ų | 140 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | trans | 95.6 | 143.4 | 171.6 | -63 | -177.5 | -177.9 | 174.4 | 0 | 116.4 | ||||
| 966 | K | 29.2 | Very low | 28.8 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | cis | -163.5 | 169.2 | -7.9 | 170.9 | 177.6 | 178.1 | -160.8 | 0 | 110.7 | ||||
| 967 | L | 25.8 | Very low | 28.9 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | trans | -34.4 | 166.8 | 162.3 | -54.7 | 154.1 | 0 | 0 | 0 | 115.5 | ||||
| 968 | T | 24.9 | Very low | 28.7 | Very low | 94 Ų | 94 | 145.3 Ų | 145.3 | 58% | 0.577 | 76% | 0.755 | S | S | * | * | cis | -170.8 | 167.5 | 39.4 | -25.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 969 | E | 22.8 | Very low | 28.4 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | trans | 60.6 | 164.3 | 148.6 | -81.4 | 143.4 | -158.1 | 0 | 0 | 121.2 | ||||
| 970 | F | 22.9 | Very low | 28.6 | Very low | 187 Ų | 187 | 141 Ų | 141 | 82% | 0.82 | 75% | 0.754 | S | S | * | * | cis | -162.6 | 158.3 | -43.8 | -136.1 | -97.6 | 0 | 0 | 0 | 109.3 | ||||
| 971 | S | 21.3 | Very low | 28.4 | Very low | 85 Ų | 85 | 145 Ų | 145 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | trans | 30.9 | 135.1 | 156.8 | 60.1 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 972 | D | 21.2 | Very low | 28.1 | Very low | 157 Ų | 157 | 150.8 Ų | 150.8 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | 86.2 | 163.8 | 132.4 | -65.3 | -13 | 0 | 0 | 0 | 124.5 | ||||
| 973 | T | 28.2 | Very low | 28.1 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | trans | -132.1 | -176.3 | -171 | 66.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 974 | P | 51.8 | Low | 28 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | cis | -137.6 | -168.6 | -4.2 | 41.2 | -21.4 | 0 | 0 | 0 | 115.5 | ||||
| 975 | A | 26.4 | Very low | 28 | Very low | 92 Ų | 92 | 149.4 Ų | 149.4 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | 71.8 | 128.6 | 148.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 976 | N | 30.7 | Very low | 27.8 | Very low | 166 Ų | 166 | 146 Ų | 146 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | -165.7 | -179.6 | 141.2 | -131 | -50 | 0 | 0 | 0 | 114.8 | ||||
| 977 | I | 28.8 | Very low | 27.5 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -121.1 | 162.5 | -162.4 | -75 | 174.5 | 0 | 0 | 0 | 115.4 | ||||
| 978 | L | 26.1 | Very low | 27.8 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | -28.7 | 144.3 | 179.4 | -77.6 | 75.6 | 0 | 0 | 0 | 119.7 | ||||
| 979 | S | 26.6 | Very low | 27.7 | Very low | 108 Ų | 108 | 144.7 Ų | 144.7 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | 172.4 | 166.1 | 91.6 | 54.7 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 980 | I | 31.1 | Very low | 28.1 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | 77.2 | 88.8 | 165.4 | -45.9 | -172.6 | 0 | 0 | 0 | 120 | ||||
| 981 | F | 25.9 | Very low | 28.1 | Very low | 187 Ų | 187 | 139.7 Ų | 139.7 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | trans | 41.8 | 105.8 | 138.3 | -74.7 | -86.2 | 0 | 0 | 0 | 122.9 | A983 | F981-A983 HydrophobicContact CD1-CB 4.33Š| ||
| 982 | R | 24.7 | Very low | 28.5 | Very low | 259 Ų | 259 | 147 Ų | 147 | 98% | 0.977 | 80% | 0.802 | S | S | * | * | S | Bend | -169.8 | 127.8 | 96.5 | -170.3 | 174.5 | -171.8 | 170.5 | 2.1 | 111.3 | |||
| 983 | A | 35.5 | Very low | 28.6 | Very low | 67 Ų | 67 | 144.7 Ų | 144.7 | 55% | 0.554 | 80% | 0.798 | S | S | * | * | -136.4 | 161.8 | -79.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F981 | F981-A983 HydrophobicContact CD1-CB 4.33Š| |||
| 984 | K | 27.4 | Very low | 28.6 | Very low | 202 Ų | 202 | 149.9 Ų | 149.9 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | trans | 82 | 89.3 | -160.8 | -60.8 | -173.2 | 175.2 | -175.7 | 0 | 112.5 | ||||
| 985 | L | 26 | Very low | 27.5 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | cis | 64.9 | 130.9 | 41 | -54.4 | 170 | 0 | 0 | 0 | 114.7 | ||||
| 986 | V | 26 | Very low | 27.9 | Very low | 119 Ų | 119 | 150 Ų | 150 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | cis | -164.1 | 159.9 | -26.4 | 103.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 987 | L | 23.6 | Very low | 28 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | trans | -6.2 | 136.4 | 148.5 | -109.8 | 46.7 | 0 | 0 | 0 | 116.9 | ||||
| 988 | E | 32.3 | Very low | 28.6 | Very low | 176 Ų | 176 | 148.5 Ų | 148.5 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | 60.9 | 130.7 | 53.4 | -175 | -172.4 | -125.3 | 0 | 0 | 113.2 | |||||
| 989 | G | 22.2 | Very low | 29.5 | Very low | 80 Ų | 80 | 143.1 Ų | 143.1 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -155.7 | 92.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 990 | C | 31.7 | Very low | 30.3 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | trans | -84.9 | 141 | 179.9 | -178.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 991 | S | 22.6 | Very low | 30.7 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -149.4 | 164.7 | 158.8 | 64.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 992 | R | 28.9 | Very low | 31.6 | Very low | 237 Ų | 237 | 140.5 Ų | 140.5 | 89% | 0.894 | 75% | 0.745 | S | S | * | * | trans | -130.2 | 165.7 | -165.7 | -172.1 | 172.5 | 179 | 162.9 | -1.4 | 110.2 | ||||
| 993 | S | 23.8 | Very low | 32.5 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | trans | 76.4 | 123.2 | -167.6 | 75 | 0 | 0 | 0 | 0 | 112 | ||||
| 994 | R | 28.6 | Very low | 32.9 | Very low | 239 Ų | 239 | 136 Ų | 136 | 90% | 0.902 | 73% | 0.729 | S | S | * | * | 78.4 | 131.1 | 54.7 | -175.7 | 178.7 | -178.6 | 156.8 | 3.4 | 111.6 | |||||
| 995 | A | 29.1 | Very low | 33.7 | Very low | 81 Ų | 81 | 130.4 Ų | 130.4 | 67% | 0.669 | 71% | 0.705 | S | S | * | * | trans | 85 | 118.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 996 | D | 33.6 | Very low | 34.7 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | trans | 53.7 | 114.5 | 144 | -47.9 | -32.4 | 0 | 0 | 0 | 120.7 | ||||
| 997 | N | 34.1 | Very low | 35.4 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 80% | 0.797 | 70% | 0.701 | S | S | * | * | -161.4 | 80.6 | 108.8 | -97.6 | -57.7 | 0 | 0 | 0 | 111.5 | A999 | N997-A999 PolarHBondContact O-N 2.83Š| |||
| 998 | N | 41.5 | Very low | 36.4 | Very low | 136 Ų | 136 | 136 Ų | 136 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 47.8 | 175.3 | -77.6 | -44.5 | 0 | 0 | 0 | 112.9 | ||
| 999 | A | 43.9 | Very low | 37 | Very low | 41 Ų | 41 | 135.5 Ų | 135.5 | 34% | 0.339 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112 | -35.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N997 R1003 | N997-A999 PolarHBondContact O-N 2.83Å; A999-R1003 PolarHBondContact O-NH1 2.69Å |
| 1000 | E | 43.8 | Very low | 37.7 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 61% | 0.607 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -91.2 | -40.8 | -175 | -122.6 | 58.4 | -103.7 | 0 | 0 | 113.3 | L1002 R1003 A1004 | E1000-L1002 PolarHBondContact O-N 3.07Å; E1000-R1003 WeakPolarHBondContact O-CB 3.28Å; E1000-R1003 PolarHBondContact O-N 3.46Å; E1000-R1003 IonicContact OE1-CZ 2.69Å; E1000-R1003 IonicContact OE1-NH1 2.68Å; E1000-R1003 PolarHBondContact OE1-NH1 2.74Å; E1000-A1004 PolarHBondContact O-N 3.32Å |
| 1001 | E | 39.4 | Very low | 38 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 73% | 0.734 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -60.7 | -34.5 | 176.5 | -168.7 | 165.6 | -155.6 | 0 | 0 | 111.5 | R1003 A1004 E1005 | E1001-R1003 PolarHBondContact O-N 3.36Å; E1001-A1004 PolarHBondContact O-N 2.97Å; E1001-E1005 PolarHBondContact O-N 3.32Å |
| 1002 | L | 44.1 | Very low | 38.5 | Very low | 102 Ų | 102 | 138 Ų | 138 | 53% | 0.534 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -67.6 | -15.4 | 174.6 | -135.4 | 82.5 | 0 | 0 | 0 | 114.1 | E1000 R1006 | E1000-L1002 PolarHBondContact O-N 3.07Å; L1002-R1006 WeakPolarHBondContact O-CD 3.48Å; L1002-R1006 VanDerWaalsContact O-CG 3.28Å; L1002-R1006 WeakPolarHBondContact O-CG 3.39Å |
| 1003 | R | 43.7 | Very low | 38.8 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 62% | 0.623 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -87.8 | -40.1 | 170.9 | -70.2 | -171 | 173.1 | 91.2 | 5.5 | 111.9 | A999 E1000 E1001 R1006 | A999-R1003 PolarHBondContact O-NH1 2.69Å; E1000-R1003 WeakPolarHBondContact O-CB 3.28Å; E1000-R1003 PolarHBondContact O-N 3.46Å; E1000-R1003 IonicContact OE1-CZ 2.69Å; E1000-R1003 IonicContact OE1-NH1 2.68Å; E1000-R1003 PolarHBondContact OE1-NH1 2.74Å; E1001-R1003 PolarHBondContact O-N 3.36Å; R1003-R1006 PolarHBondContact O-N 3.16Å |
| 1004 | A | 45.4 | Very low | 39.1 | Very low | 68 Ų | 68 | 139.8 Ų | 139.8 | 56% | 0.562 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -60.9 | -45.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1000 E1001 R1006 L1007 | E1000-A1004 PolarHBondContact O-N 3.32Å; E1001-A1004 PolarHBondContact O-N 2.97Å; A1004-R1006 VanDerWaalsContact C-N 3.32Å; A1004-R1006 PolarHBondContact O-N 2.89Å; A1004-L1007 PolarHBondContact O-N 3.22Å |
| 1005 | E | 44.4 | Very low | 39.3 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 39% | 0.388 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -67.2 | -29.8 | -179.9 | 177.9 | 54.9 | -162.4 | 0 | 0 | 113.1 | E1001 L1007 R1008 R1009 | E1001-E1005 PolarHBondContact O-N 3.32Å; E1005-L1007 VanDerWaalsContact C-N 3.29Å; E1005-L1007 PolarHBondContact O-N 3.44Å; E1005-R1008 PolarHBondContact O-N 3.47Å; E1005-R1009 PolarHBondContact O-N 2.63Å; E1005-R1009 IonicContact OE1-CZ 2.65Å; E1005-R1009 IonicContact OE1-NE 2.93Å; E1005-R1009 PolarHBondContact OE1-NE 3.32Å; E1005-R1009 IonicContact OE1-NH2 2.8Å |
| 1006 | R | 45.3 | Very low | 39.1 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 71% | 0.709 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -67.3 | -26.9 | 176.4 | -82.7 | 178 | 179.8 | -168.4 | 0.6 | 113.6 | L1002 R1003 A1004 | L1002-R1006 WeakPolarHBondContact O-CD 3.48Å; L1002-R1006 VanDerWaalsContact O-CG 3.28Å; L1002-R1006 WeakPolarHBondContact O-CG 3.39Å; R1003-R1006 PolarHBondContact O-N 3.16Å; A1004-R1006 VanDerWaalsContact C-N 3.32Å; A1004-R1006 PolarHBondContact O-N 2.89Å |
| 1007 | L | 42.2 | Very low | 39.1 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -80 | -30 | 177.6 | -167.4 | 60.7 | 0 | 0 | 0 | 112.3 | A1004 E1005 | A1004-L1007 PolarHBondContact O-N 3.22Å; E1005-L1007 VanDerWaalsContact C-N 3.29Å; E1005-L1007 PolarHBondContact O-N 3.44Å |
| 1008 | R | 43.5 | Very low | 38.7 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -68.6 | -36.1 | 173.3 | -79.1 | -173.1 | 159.7 | -153.2 | -7.2 | 113 | E1005 A1010 | E1005-R1008 PolarHBondContact O-N 3.47Å; R1008-A1010 PolarHBondContact O-N 3.13Å |
| 1009 | R | 46.1 | Very low | 38.1 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 3.4 | -179.1 | -74.7 | -178.9 | 173.6 | -153.6 | -12 | 115.9 | E1005 | E1005-R1009 PolarHBondContact O-N 2.63Å; E1005-R1009 IonicContact OE1-CZ 2.65Å; E1005-R1009 IonicContact OE1-NE 2.93Å; E1005-R1009 PolarHBondContact OE1-NE 3.32Å; E1005-R1009 IonicContact OE1-NH2 2.8Å |
| 1010 | A | 36 | Very low | 37.1 | Very low | 73 Ų | 73 | 146.4 Ų | 146.4 | 60% | 0.603 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -24.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1008 | R1008-A1010 PolarHBondContact O-N 3.13Š|
| 1011 | T | 37.4 | Very low | 36.2 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -106.8 | -11.3 | -168.7 | 47 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1012 | E | 34.7 | Very low | 35.6 | Very low | 178 Ų | 178 | 146.6 Ų | 146.6 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -93.8 | 11.3 | -173.3 | -156.3 | 169.2 | -149.9 | 0 | 0 | 114 | ||
| 1013 | R | 34.2 | Very low | 34.6 | Very low | 208 Ų | 208 | 149.7 Ų | 149.7 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -102.4 | 17 | -164.3 | -130.2 | -174.3 | -165.5 | 98 | 2.9 | 117.2 | ||||
| 1014 | L | 30.8 | Very low | 34 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -137.2 | 54.2 | 178.7 | -75.6 | 179.8 | 0 | 0 | 0 | 115 | ||
| 1015 | R | 31.9 | Very low | 33.1 | Very low | 248 Ų | 248 | 148.3 Ų | 148.3 | 94% | 0.936 | 76% | 0.756 | S | S | * | * | trans | -157 | 97.6 | 140.5 | -148.7 | 166.2 | -174.8 | 154.2 | 0.4 | 113.3 | ||||
| 1016 | S | 24.8 | Very low | 32.8 | Very low | 109 Ų | 109 | 150.9 Ų | 150.9 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -145.8 | 139.5 | 163.7 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1017 | P | 34.3 | Very low | 31.9 | Very low | 110 Ų | 110 | 153.1 Ų | 153.1 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | trans | -121.3 | 132 | 133.5 | 35.7 | -29.2 | 0 | 0 | 0 | 110 | ||||
| 1018 | V | 24.8 | Very low | 31.9 | Very low | 127 Ų | 127 | 156.1 Ų | 156.1 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | 76.7 | 133 | 101.7 | 178.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1019 | V | 28.9 | Very low | 31.1 | Very low | 118 Ų | 118 | 152.7 Ų | 152.7 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | trans | -118.4 | 137.3 | 176.4 | 175.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 1020 | F | 23.6 | Very low | 30.4 | Very low | 204 Ų | 204 | 153.8 Ų | 153.8 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -136.3 | 164.8 | 151.4 | -105.4 | -88.9 | 0 | 0 | 0 | 108.1 | ||||
| 1021 | S | 25.5 | Very low | 30.1 | Very low | 95 Ų | 95 | 157.1 Ų | 157.1 | 66% | 0.664 | 81% | 0.812 | S | S | * | * | trans | -153.7 | 153.2 | -170.7 | -62.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1022 | K | 25.9 | Very low | 29.7 | Very low | 196 Ų | 196 | 159 Ų | 159 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | trans | 69.8 | 150.7 | -169.5 | -67.8 | -176.1 | 177.2 | -175.9 | 0 | 112 | ||||
| 1023 | D | 24 | Very low | 29.3 | Very low | 166 Ų | 166 | 155.1 Ų | 155.1 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | cis | -99.1 | 170.8 | 22.5 | -76 | -52.6 | 0 | 0 | 0 | 119.1 | ||||
| 1024 | S | 30 | Very low | 29.2 | Very low | 115 Ų | 115 | 153 Ų | 153 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -142.1 | 114.7 | 165.4 | 174.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1025 | A | 26.7 | Very low | 29.5 | Very low | 90 Ų | 90 | 149.7 Ų | 149.7 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | trans | -161.3 | 126.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1026 | V | 37.8 | Very low | 29.4 | Very low | 136 Ų | 136 | 145 Ų | 145 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -62.9 | 132.5 | 171.2 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1027 | R | 27.8 | Very low | 29.8 | Very low | 235 Ų | 235 | 150 Ų | 150 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -133.7 | 138.7 | 154 | -71.7 | -170.3 | 178 | 158.1 | 1.2 | 109.8 | ||||
| 1028 | K | 41.1 | Very low | 29.9 | Very low | 206 Ų | 206 | 151.2 Ų | 151.2 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | trans | -66.7 | 129.7 | -165.8 | -58.9 | 170.4 | -178.3 | 175.2 | 0 | 111.9 | ||||
| 1029 | T | 26.6 | Very low | 30.4 | Very low | 123 Ų | 123 | 153 Ų | 153 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -106 | 111.9 | 164 | 48.4 | 0 | 0 | 0 | 0 | 109.7 | L1031 | T1029-L1031 PolarHBondContact O-N 3.37Š| ||
| 1030 | Q | 32 | Very low | 30.3 | Very low | 189 Ų | 189 | 155.4 Ų | 155.4 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -67.4 | 110.6 | 160.9 | -74.7 | -172.9 | -5.7 | 0 | 0 | 107.8 | K1032 | Q1030-K1032 PolarHBondContact O-N 2.84Å; Q1030-K1032 VanDerWaalsContact O-N 3.12Å | ||
| 1031 | L | 28.3 | Very low | 30.5 | Very low | 142 Ų | 142 | 156.9 Ų | 156.9 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | -78 | 103.6 | -176 | -154.3 | 71.5 | 0 | 0 | 0 | 110.3 | T1029 | T1029-L1031 PolarHBondContact O-N 3.37Š| ||
| 1032 | K | 29.8 | Very low | 30.7 | Very low | 168 Ų | 168 | 157.6 Ų | 157.6 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | trans | -67.8 | 158.7 | 165.2 | -68.9 | 177.9 | 179.2 | 175.2 | 0 | 109.6 | Q1030 | Q1030-K1032 PolarHBondContact O-N 2.84Å; Q1030-K1032 VanDerWaalsContact O-N 3.12Å | ||
| 1033 | S | 26.3 | Very low | 30.8 | Very low | 97 Ų | 97 | 156.4 Ų | 156.4 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | -43.7 | 136.7 | -174.5 | -173.5 | 0 | 0 | 0 | 0 | 114.2 | S1035 | S1033-S1035 PolarHBondContact O-N 2.85Š| ||
| 1034 | F | 33 | Very low | 31 | Very low | 163 Ų | 163 | 154.9 Ų | 154.9 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -62.3 | -9.8 | -169.7 | -156.6 | -97.8 | 0 | 0 | 0 | 115.2 | Q1036 | F1034-Q1036 PolarHBondContact O-N 2.94Å; F1034-Q1036 VanDerWaalsContact O-N 3.12Å |
| 1035 | S | 35.3 | Very low | 30.9 | Very low | 107 Ų | 107 | 157.7 Ų | 157.7 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -63.8 | -13.2 | 179.8 | -52.9 | 0 | 0 | 0 | 0 | 115.1 | S1033 | S1033-S1035 PolarHBondContact O-N 2.85Š|
| 1036 | Q | 31.4 | Very low | 30.8 | Very low | 149 Ų | 149 | 164.3 Ų | 164.3 | 70% | 0.696 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -85.9 | -4.4 | -170.9 | -163.3 | 161.3 | 8.3 | 0 | 0 | 115.1 | F1034 V1038 | F1034-Q1036 PolarHBondContact O-N 2.94Å; F1034-Q1036 VanDerWaalsContact O-N 3.12Å; Q1036-V1038 PolarHBondContact O-N 3.44Å |
| 1037 | Y | 32 | Very low | 30.2 | Very low | 214 Ų | 214 | 166.9 Ų | 166.9 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -93.6 | 15.8 | -173.4 | -106.4 | -74.6 | 0 | 0 | 0 | 116.5 | ||
| 1038 | V | 36.8 | Very low | 30.1 | Very low | 135 Ų | 135 | 165.3 Ų | 165.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -110.6 | -24.3 | 177 | -178.7 | 0 | 0 | 0 | 0 | 112.9 | Q1036 | Q1036-V1038 PolarHBondContact O-N 3.44Š|
| 1039 | E | 35.3 | Very low | 29.4 | Very low | 166 Ų | 166 | 161.1 Ų | 161.1 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -112.9 | 90.1 | -175.9 | -69 | -174.8 | 143.3 | 0 | 0 | 112.2 | ||
| 1040 | N | 26.3 | Very low | 29.6 | Very low | 167 Ų | 167 | 160.9 Ų | 160.9 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | 167.2 | 120.1 | 123.8 | -85.3 | -38 | 0 | 0 | 0 | 111.9 | |||||
| 1041 | R | 28.3 | Very low | 29.8 | Very low | 236 Ų | 236 | 157.1 Ų | 157.1 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -137.7 | 129.3 | 161 | -169.7 | 179.5 | -173.4 | -168.4 | 2.5 | 108.3 | ||||
| 1042 | P | 30.6 | Very low | 29.8 | Very low | 109 Ų | 109 | 158 Ų | 158 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | trans | -76.1 | 142.6 | -168.8 | 28.4 | -35.2 | 0 | 0 | 0 | 113.6 | V1044 | P1042-V1044 PolarHBondContact O-N 2.92Š| ||
| 1043 | E | 27.8 | Very low | 29.8 | Very low | 172 Ų | 172 | 155.8 Ų | 155.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -58.6 | 126 | 161.1 | -110.8 | 86.4 | -166.7 | 0 | 0 | 110.8 | ||||
| 1044 | V | 28.9 | Very low | 30 | Very low | 133 Ų | 133 | 156.6 Ų | 156.6 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | -118.4 | 111.8 | 162.2 | -174.4 | 0 | 0 | 0 | 0 | 108 | P1042 | P1042-V1044 PolarHBondContact O-N 2.92Š| ||
| 1045 | K | 26.1 | Very low | 30 | Very low | 175 Ų | 175 | 157 Ų | 157 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | -92.7 | 147.2 | -177.8 | -70.9 | 179 | 179 | 171.2 | 0 | 111.3 | ||||
| 1046 | R | 25.9 | Very low | 29.6 | Very low | 229 Ų | 229 | 160.8 Ų | 160.8 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | 72.5 | 154.6 | 174.1 | -39.3 | -173.3 | 79.2 | 84.6 | -0.8 | 112.4 | ||||
| 1047 | Q | 24.6 | Very low | 29.4 | Very low | 189 Ų | 189 | 157.7 Ų | 157.7 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | cis | -124.3 | 151 | 11.6 | -61.4 | 172 | -7.6 | 0 | 0 | 112.3 | ||||
| 1048 | K | 26.4 | Very low | 29.3 | Very low | 203 Ų | 203 | 153.4 Ų | 153.4 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -130.8 | 115.5 | 162.9 | -166.4 | 169.1 | -173.2 | 175.3 | 0 | 107.3 | ||||
| 1049 | S | 25.3 | Very low | 29 | Very low | 117 Ų | 117 | 156 Ų | 156 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -83.9 | 146.1 | -179.3 | 37.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1050 | V | 30.4 | Very low | 28.9 | Very low | 118 Ų | 118 | 154.2 Ų | 154.2 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | trans | -117.3 | 136.1 | 175.8 | -174.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1051 | P | 37.2 | Very low | 29.1 | Very low | 110 Ų | 110 | 153.3 Ų | 153.3 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | -109.9 | 167.3 | 97.1 | -12 | 31.1 | 0 | 0 | 0 | 112.1 | |||||
| 1052 | E | 28.6 | Very low | 29.1 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | cis | -171.6 | -171 | -22.9 | -110.6 | 154.3 | -159 | 0 | 0 | 105.8 | ||||
| 1053 | D | 28.7 | Very low | 29.3 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | cis | -159.4 | 172 | 15.8 | -152.5 | -6.7 | 0 | 0 | 0 | 112.8 | ||||
| 1054 | L | 32 | Very low | 30.3 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 60% | 0.597 | 71% | 0.712 | S | S | * | * | trans | 39.7 | 121 | 157.2 | -64.4 | -171.1 | 0 | 0 | 0 | 124.5 | ||||
| 1055 | K | 31.6 | Very low | 30.2 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | trans | 77.7 | 130 | 138.7 | -63.6 | 164 | -173.5 | 169.9 | 0 | 117.5 | ||||
| 1056 | K | 27.4 | Very low | 30.6 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 81% | 0.809 | 71% | 0.707 | S | S | * | * | 61.3 | 133.6 | 64.3 | -76.2 | -158.6 | 174.1 | -154.4 | 0 | 112.8 | |||||
| 1057 | A | 28.4 | Very low | 30.9 | Very low | 83 Ų | 83 | 136 Ų | 136 | 69% | 0.686 | 70% | 0.703 | S | S | * | * | cis | -166.6 | 169.6 | 5.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1058 | D | 29.2 | Very low | 31.3 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 66% | 0.663 | 70% | 0.697 | S | S | * | * | cis | -170.6 | 168.1 | -28.5 | -79.7 | -32.5 | 0 | 0 | 0 | 106.2 | ||||
| 1059 | E | 30.6 | Very low | 31.6 | Very low | 189 Ų | 189 | 131.1 Ų | 131.1 | 88% | 0.883 | 69% | 0.692 | S | S | * | * | trans | 67.4 | 150.5 | 171.5 | -65.7 | 175 | 175.7 | 0 | 0 | 118.1 | ||||
| 1060 | D | 32.1 | Very low | 32.2 | Very low | 130 Ų | 130 | 135 Ų | 135 | 70% | 0.695 | 70% | 0.697 | S | S | * | * | cis | -152.8 | 165.8 | -4.5 | -143.6 | 8.4 | 0 | 0 | 0 | 114.6 | ||||
| 1061 | R | 31.4 | Very low | 32.5 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 56% | 0.555 | 71% | 0.705 | S | S | * | * | trans | 12.5 | 138.2 | 151.2 | -71 | -173.2 | 164 | -101.8 | 3.2 | 121.6 | P667 | P667-R1061 PolarHBondContact O-NH1 3.26Š| ||
| 1062 | D | 29 | Very low | 32.9 | Very low | 76 Ų | 76 | 140.2 Ų | 140.2 | 41% | 0.406 | 70% | 0.703 | S | S | . | * | cis | 177.9 | -158.1 | 8.5 | -124.1 | -46.5 | 0 | 0 | 0 | 114 | P667 A668 A669 | P667-D1062 VanDerWaalsContact C-OD2 3.24Å; A668-D1062 VanDerWaalsContact CA-CB 3.46Å; A668-D1062 PolarHBondContact N-OD1 3.28Å; A668-D1062 VanDerWaalsContact N-OD1 3.08Å; A668-D1062 PolarHBondContact N-OD2 3.04Å; A668-D1062 VanDerWaalsContact O-CB 3.25Å; A668-D1062 WeakPolarHBondContact O-CB 3.42Å; A668-D1062 VanDerWaalsContact O-OD2 3.1Å; A669-D1062 VanDerWaalsContact CA-CB 3.48Å; A669-D1062 VanDerWaalsContact CB-C 3.41Å; A669-D1062 HydrophobicContact CB-CB 3.69Å; A669-D1062 WeakPolarHBondContact CB-O 3.4Å | ||
| 1063 | S | 34 | Very low | 32.9 | Very low | 56 Ų | 56 | 142.1 Ų | 142.1 | 39% | 0.392 | 71% | 0.709 | S | S | . | * | trans | -97.7 | -172.9 | 177.5 | 67.4 | 0 | 0 | 0 | 0 | 116.3 | A668 A669 | A668-S1063 WeakPolarHBondContact CA-O 3.34Å; A669-S1063 VanDerWaalsContact CB-O 3.29Å; A669-S1063 WeakPolarHBondContact CB-O 3.11Å; A669-S1063 PolarHBondContact N-O 2.99Å | ||
| 1064 | P | 49.4 | Very low | 33.5 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | cis | -120.3 | -169.5 | 7.2 | 45 | -27.8 | 0 | 0 | 0 | 114 | ||||
| 1065 | T | 26.6 | Very low | 34 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | cis | -154.3 | 156.1 | 31.5 | -16 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1066 | E | 34.6 | Very low | 34.4 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 74% | 0.738 | 70% | 0.701 | S | S | * | * | trans | 34.3 | 112.4 | 147.3 | -109.8 | 174.4 | -175.4 | 0 | 0 | 119.4 | ||||
| 1067 | F | 30.6 | Very low | 35.2 | Very low | 179 Ų | 179 | 134.8 Ų | 134.8 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | -175.1 | 147.3 | 73.7 | -115.1 | -89.5 | 0 | 0 | 0 | 112.8 | |||||
| 1068 | D | 32.9 | Very low | 36 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 75% | 0.754 | 69% | 0.688 | S | S | * | * | trans | 70.4 | 157.1 | 150.1 | -144.4 | 4.2 | 0 | 0 | 0 | 123.2 | ||||
| 1069 | L | 34.3 | Very low | 37.1 | Very low | 149 Ų | 149 | 137 Ų | 137 | 78% | 0.78 | 67% | 0.672 | S | S | * | * | trans | 69 | 96.3 | 165.9 | -60.4 | 178.3 | 0 | 0 | 0 | 120.7 | ||||
| 1070 | H | 36.6 | Very low | 38.1 | Very low | 198 Ų | 198 | 134.6 Ų | 134.6 | 92% | 0.917 | 66% | 0.658 | S | S | * | * | trans | -65.7 | 153.8 | 157 | -107.8 | -76 | 0 | 0 | 0 | 112.6 | ||||
| 1071 | R | 38.4 | Very low | 39.1 | Very low | 234 Ų | 234 | 131.2 Ų | 131.2 | 88% | 0.883 | 65% | 0.649 | S | S | * | * | trans | -128.5 | 153.5 | 170.3 | -116.4 | -162.3 | -105.9 | -150.6 | -6.7 | 112 | ||||
| 1072 | P | 45.1 | Very low | 40 | Very low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 64% | 0.635 | S | S | * | * | trans | -90.2 | 157.1 | -175.5 | 36.5 | -33.6 | 0 | 0 | 0 | 113.1 | ||||
| 1073 | F | 28.3 | Very low | 41.4 | Very low | 199 Ų | 199 | 130 Ų | 130 | 87% | 0.873 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -120 | -10.9 | -179.4 | -172.1 | -113 | 0 | 0 | 0 | 114.2 | ||
| 1074 | E | 41.9 | Very low | 43.1 | Very low | 177 Ų | 177 | 133.2 Ų | 133.2 | 83% | 0.827 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -91.2 | -16 | -168.1 | -58.2 | -172.5 | 147.4 | 0 | 0 | 115.3 | E1076 | E1074-E1076 PolarHBondContact O-N 3.5Š|
| 1075 | E | 42.2 | Very low | 44 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 41% | 0.411 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -70.1 | -29.2 | -171.4 | -159.3 | 178.1 | 175.9 | 0 | 0 | 113.1 | G1077 R1169 | E1075-G1077 PolarHBondContact O-N 3.41Å; E1075-R1169 IonicContact OE1-CZ 2.75Å; E1075-R1169 IonicContact OE1-NH1 2.62Å; E1075-R1169 PolarHBondContact OE1-NH1 3Å; E1075-R1169 IonicContact OE2-NH1 2.77Å |
| 1076 | E | 39.8 | Very low | 46.4 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 59% | 0.589 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.3 | -27.4 | -174.3 | -154.1 | -164.8 | 140.1 | 0 | 0 | 113.5 | E1074 K1080 | E1074-E1076 PolarHBondContact O-N 3.5Å; E1076-K1080 PolarHBondContact O-N 2.75Å; E1076-K1080 IonicContact OE1-NZ 2.69Å; E1076-K1080 PolarHBondContact OE1-NZ 3.07Å |
| 1077 | G | 44.9 | Very low | 48.6 | Very low | 51 Ų | 51 | 127.7 Ų | 127.7 | 53% | 0.526 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.7 | -49.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1075 Q1079 K1080 A1081 | E1075-G1077 PolarHBondContact O-N 3.41Å; G1077-Q1079 PolarHBondContact O-N 3.02Å; G1077-K1080 PolarHBondContact O-N 2.79Å; G1077-A1081 PolarHBondContact O-N 2.85Å |
| 1078 | R | 45 | Very low | 51.3 | Low | 185 Ų | 185 | 126 Ų | 126 | 70% | 0.698 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.4 | -46 | 178.2 | -81.3 | -174.5 | 169.6 | -129.8 | -3.8 | 111.9 | K1080 A1081 F1082 | R1078-K1080 PolarHBondContact O-N 3.34Å; R1078-A1081 PolarHBondContact O-N 3.3Å; R1078-A1081 VanDerWaalsContact O-N 3.1Å; R1078-F1082 HydrophobicContact CB-CD2 4.37Å; R1078-F1082 HydrophobicContact CB-CE2 4.36Å; R1078-F1082 VanDerWaalsContact O-CD2 3.3Å; R1078-F1082 WeakPolarHBondContact O-CD2 3.31Å; R1078-F1082 PolarHBondContact O-N 3.02Å; R1078-F1082 VanDerWaalsContact O-N 3.08Å |
| 1079 | Q | 50.5 | Low | 53.9 | Low | 69 Ų | 69 | 119.6 Ų | 119.6 | 32% | 0.322 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.5 | -16.9 | -175.9 | -67.1 | -177.3 | -0.5 | 0 | 0 | 113.9 | G1077 K1083 E1165 | G1077-Q1079 PolarHBondContact O-N 3.02Å; Q1079-K1083 WeakPolarHBondContact O-CD 3.4Å; Q1079-K1083 WeakPolarHBondContact O-CG 3.39Å; Q1079-E1165 PolarHBondContact NE2-OE1 3.34Å |
| 1080 | K | 52.6 | Low | 56.2 | Low | 137 Ų | 137 | 116.1 Ų | 116.1 | 60% | 0.596 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -76.7 | -48.9 | 167.8 | -104.8 | 163.4 | -179 | 144.2 | 0 | 111.9 | E1076 G1077 R1078 F1082 K1083 D1084 | E1076-K1080 PolarHBondContact O-N 2.75Å; E1076-K1080 IonicContact OE1-NZ 2.69Å; E1076-K1080 PolarHBondContact OE1-NZ 3.07Å; G1077-K1080 PolarHBondContact O-N 2.79Å; R1078-K1080 PolarHBondContact O-N 3.34Å; K1080-F1082 PolarHBondContact O-N 3.36Å; K1080-K1083 PolarHBondContact O-N 3.39Å; K1080-D1084 PolarHBondContact O-N 3.38Å |
| 1081 | A | 53.3 | Low | 58.7 | Low | 60 Ų | 60 | 108.6 Ų | 108.6 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1077 R1078 K1083 D1084 T1085 | G1077-A1081 PolarHBondContact O-N 2.85Å; R1078-A1081 PolarHBondContact O-N 3.3Å; R1078-A1081 VanDerWaalsContact O-N 3.1Å; A1081-K1083 VanDerWaalsContact C-N 3.29Å; A1081-K1083 PolarHBondContact O-N 3.37Å; A1081-D1084 PolarHBondContact O-N 2.97Å; A1081-T1085 PolarHBondContact O-N 3.38Å; A1081-T1085 PolarHBondContact O-OG1 3.19Å |
| 1082 | F | 51 | Low | 61.2 | Low | 59 Ų | 59 | 99.3 Ų | 99.3 | 26% | 0.259 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -36.2 | 178.5 | -80.6 | -68.3 | 0 | 0 | 0 | 113.2 | R1078 K1080 S1086 H1158 E1161 | R1078-F1082 HydrophobicContact CB-CD2 4.37Å; R1078-F1082 HydrophobicContact CB-CE2 4.36Å; R1078-F1082 VanDerWaalsContact O-CD2 3.3Å; R1078-F1082 WeakPolarHBondContact O-CD2 3.31Å; R1078-F1082 PolarHBondContact O-N 3.02Å; R1078-F1082 VanDerWaalsContact O-N 3.08Å; K1080-F1082 PolarHBondContact O-N 3.36Å; F1082-S1086 PolarHBondContact O-N 3.31Å; F1082-S1086 VanDerWaalsContact O-N 3.08Å; F1082-H1158 AromaticContact CD1-CD2 4Å; F1082-H1158 AromaticContact CD1-NE2 4Å; F1082-H1158 PolarHBondContact O-CE1 3.38Å; F1082-E1161 WeakPolarHBondContact CE1-OE2 3.46Å |
| 1083 | K | 58 | Low | 63.3 | Low | 139 Ų | 139 | 95.1 Ų | 95.1 | 60% | 0.604 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65 | -41.4 | 177.5 | -81.1 | 172.5 | -178.8 | 158.2 | 0 | 112.4 | Q1079 K1080 A1081 S1086 Q1087 | Q1079-K1083 WeakPolarHBondContact O-CD 3.4Å; Q1079-K1083 WeakPolarHBondContact O-CG 3.39Å; K1080-K1083 PolarHBondContact O-N 3.39Å; A1081-K1083 VanDerWaalsContact C-N 3.29Å; A1081-K1083 PolarHBondContact O-N 3.37Å; K1083-S1086 WeakPolarHBondContact O-CB 3.48Å; K1083-S1086 PolarHBondContact O-N 3.27Å; K1083-Q1087 WeakPolarHBondContact O-CB 3.4Å; K1083-Q1087 PolarHBondContact O-N 3.4Å |
| 1084 | D | 68.8 | Low | 66.2 | Low | 122 Ų | 122 | 89.2 Ų | 89.2 | 65% | 0.652 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.7 | -47.8 | -178.9 | -142.9 | 18.1 | 0 | 0 | 0 | 110.6 | K1080 A1081 S1086 Q1087 Y1088 | K1080-D1084 PolarHBondContact O-N 3.38Å; A1081-D1084 PolarHBondContact O-N 2.97Å; D1084-S1086 PolarHBondContact O-N 3.31Å; D1084-Q1087 PolarHBondContact O-N 2.85Å; D1084-Y1088 PolarHBondContact O-N 3.15Å |
| 1085 | T | 69.6 | Low | 68.5 | Low | 83 Ų | 83 | 83.3 Ų | 83.3 | 51% | 0.509 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 174.5 | -50.2 | 0 | 0 | 0 | 0 | 112.3 | A1081 Q1087 Y1088 V1089 | A1081-T1085 PolarHBondContact O-N 3.38Å; A1081-T1085 PolarHBondContact O-OG1 3.19Å; T1085-Q1087 VanDerWaalsContact C-N 3.32Å; T1085-Q1087 PolarHBondContact O-N 2.92Å; T1085-Y1088 PolarHBondContact O-N 3.06Å; T1085-V1089 WeakPolarHBondContact O-CG2 3.33Å; T1085-V1089 PolarHBondContact O-N 2.94Å |
| 1086 | S | 75.4 | Confident | 70.9 | Confident | 32 Ų | 32 | 79.9 Ų | 79.9 | 22% | 0.224 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 175.5 | -141.7 | 0 | 0 | 0 | 0 | 112.4 | F1082 K1083 D1084 V1089 V1090 H1158 R1162 | F1082-S1086 PolarHBondContact O-N 3.31Å; F1082-S1086 VanDerWaalsContact O-N 3.08Å; K1083-S1086 WeakPolarHBondContact O-CB 3.48Å; K1083-S1086 PolarHBondContact O-N 3.27Å; D1084-S1086 PolarHBondContact O-N 3.31Å; S1086-V1089 PolarHBondContact O-N 3.49Å; S1086-V1090 WeakPolarHBondContact O-CG2 3.2Å; S1086-V1090 PolarHBondContact O-N 3.02Å; S1086-V1090 VanDerWaalsContact O-N 3.12Å; S1086-H1158 VanDerWaalsContact CB-CE1 3.44Å; S1086-H1158 WeakPolarHBondContact CB-CE1 3.29Å; S1086-H1158 WeakPolarHBondContact CB-ND1 3.38Å; S1086-H1158 PolarHBondContact OG-CE1 2.99Å; S1086-H1158 PolarHBondContact OG-ND1 3.09Å; S1086-H1158 VanDerWaalsContact OG-ND1 3.11Å; S1086-R1162 PolarHBondContact OG-NH2 3.5Å |
| 1087 | Q | 81.7 | Confident | 73.2 | Confident | 149 Ų | 149 | 77.8 Ų | 77.8 | 70% | 0.696 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -73.6 | -34.1 | -173.8 | -171.1 | 164.2 | -2.2 | 0 | 0 | 111.1 | K1083 D1084 T1085 G1091 | K1083-Q1087 WeakPolarHBondContact O-CB 3.4Å; K1083-Q1087 PolarHBondContact O-N 3.4Å; D1084-Q1087 PolarHBondContact O-N 2.85Å; T1085-Q1087 VanDerWaalsContact C-N 3.32Å; T1085-Q1087 PolarHBondContact O-N 2.92Å; Q1087-G1091 PolarHBondContact O-N 3.21Å |
| 1088 | Y | 87.3 | Confident | 75.4 | Confident | 144 Ų | 144 | 77.8 Ų | 77.8 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.8 | -53.8 | 169.1 | -179.1 | -95.3 | 0 | 0 | 0 | 112.1 | D1084 T1085 V1090 G1091 E1092 | D1084-Y1088 PolarHBondContact O-N 3.15Å; T1085-Y1088 PolarHBondContact O-N 3.06Å; Y1088-V1090 PolarHBondContact O-N 2.79Å; Y1088-G1091 PolarHBondContact O-N 3.42Å; Y1088-G1091 VanDerWaalsContact O-N 3.12Å; Y1088-E1092 VanDerWaalsContact CE1-OE2 3.29Å; Y1088-E1092 WeakPolarHBondContact CE1-OE2 3.21Å; Y1088-E1092 PolarHBondContact O-N 3.04Å; Y1088-E1092 PolarHBondContact OH-OE2 3.03Å |
| 1089 | V | 87.3 | Confident | 77.6 | Confident | 6 Ų | 6 | 72.5 Ų | 72.5 | 4% | 0.036 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.5 | -46 | -177 | 170.1 | 0 | 0 | 0 | 0 | 112 | T1085 S1086 G1091 E1092 L1093 L1151 L1154 E1155 | T1085-V1089 WeakPolarHBondContact O-CG2 3.33Å; T1085-V1089 PolarHBondContact O-N 2.94Å; S1086-V1089 PolarHBondContact O-N 3.49Å; V1089-G1091 VanDerWaalsContact C-N 3.33Å; V1089-G1091 PolarHBondContact O-N 3.42Å; V1089-E1092 PolarHBondContact O-N 3.43Å; V1089-L1093 HydrophobicContact CG1-CD1 4.08Å; V1089-L1093 WeakPolarHBondContact O-CB 3.38Å; V1089-L1093 WeakPolarHBondContact O-CG 3.43Å; V1089-L1093 PolarHBondContact O-N 3.43Å; V1089-L1151 HydrophobicContact CB-CD2 4.48Å; V1089-L1151 HydrophobicContact CG1-CB 4.26Å; V1089-L1151 HydrophobicContact CG1-CD2 4.26Å; V1089-L1151 VanDerWaalsContact CG1-O 3.28Å; V1089-L1151 WeakPolarHBondContact CG1-O 3.32Å; V1089-L1151 HydrophobicContact CG2-CD2 4.19Å; V1089-L1154 HydrophobicContact CG1-CB 4.32Å; V1089-L1154 HydrophobicContact CG2-CB 4.01Å; V1089-L1154 HydrophobicContact CG2-CD1 4.36Å; V1089-E1155 HydrophobicContact CG1-CB 4.1Å |
| 1090 | V | 83.3 | Confident | 79.5 | Confident | 75 Ų | 75 | 71.2 Ų | 71.2 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.7 | -35.7 | 177.3 | 174 | 0 | 0 | 0 | 0 | 111.6 | S1086 Y1088 S1094 | S1086-V1090 WeakPolarHBondContact O-CG2 3.2Å; S1086-V1090 PolarHBondContact O-N 3.02Å; S1086-V1090 VanDerWaalsContact O-N 3.12Å; Y1088-V1090 PolarHBondContact O-N 2.79Å; V1090-S1094 WeakPolarHBondContact O-CB 3.37Å; V1090-S1094 PolarHBondContact O-N 3.01Å; V1090-S1094 VanDerWaalsContact O-N 3.16Å |
| 1091 | G | 89.2 | Confident | 81.3 | Confident | 41 Ų | 41 | 71.7 Ų | 71.7 | 42% | 0.423 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1087 Y1088 V1089 S1094 A1095 | Q1087-G1091 PolarHBondContact O-N 3.21Å; Y1088-G1091 PolarHBondContact O-N 3.42Å; Y1088-G1091 VanDerWaalsContact O-N 3.12Å; V1089-G1091 VanDerWaalsContact C-N 3.33Å; V1089-G1091 PolarHBondContact O-N 3.42Å; G1091-S1094 PolarHBondContact O-N 2.88Å; G1091-A1095 PolarHBondContact O-N 2.95Å; G1091-A1095 VanDerWaalsContact O-N 3.08Å |
| 1092 | E | 89.8 | Confident | 83.2 | Confident | 39 Ų | 39 | 75.2 Ų | 75.2 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.9 | -40.5 | 179.4 | -161 | -175.7 | 162.2 | 0 | 0 | 111.8 | Y1088 V1089 S1094 A1095 L1096 R1147 L1151 | Y1088-E1092 VanDerWaalsContact CE1-OE2 3.29Å; Y1088-E1092 WeakPolarHBondContact CE1-OE2 3.21Å; Y1088-E1092 PolarHBondContact O-N 3.04Å; Y1088-E1092 PolarHBondContact OH-OE2 3.03Å; V1089-E1092 PolarHBondContact O-N 3.43Å; E1092-S1094 VanDerWaalsContact C-N 3.31Å; E1092-S1094 PolarHBondContact O-N 3.43Å; E1092-A1095 WeakPolarHBondContact O-CB 3.39Å; E1092-A1095 PolarHBondContact O-N 3.18Å; E1092-A1095 VanDerWaalsContact O-N 3.16Å; E1092-L1096 HydrophobicContact CG-CD1 4.14Å; E1092-L1096 HydrophobicContact CG-CG 4.43Å; E1092-L1096 VanDerWaalsContact O-CG 3.29Å; E1092-L1096 WeakPolarHBondContact O-CG 3.46Å; E1092-L1096 PolarHBondContact O-N 3.01Å; E1092-R1147 VanDerWaalsContact CD-NH2 3.25Å; E1092-R1147 IonicContact OE1-CZ 3.69Å; E1092-R1147 VanDerWaalsContact OE1-CZ 3.26Å; E1092-R1147 IonicContact OE1-NE 2.92Å; E1092-R1147 PolarHBondContact OE1-NE 3.21Å; E1092-R1147 IonicContact OE1-NH2 3.98Å; E1092-R1147 PolarHBondContact OE1-NH2 2.79Å; E1092-R1147 IonicContact OE2-CZ 3.89Å; E1092-R1147 IonicContact OE2-NE 2.77Å; E1092-R1147 IonicContact OE2-NH2 3.21Å; E1092-R1147 PolarHBondContact OE2-NH2 3.26Å; E1092-L1151 HydrophobicContact CB-CD1 3.93Å; E1092-L1151 HydrophobicContact CB-CD2 4.33Å; E1092-L1151 VanDerWaalsContact CD-CD1 3.48Å; E1092-L1151 HydrophobicContact CG-CD1 3.72Å; E1092-L1151 WeakPolarHBondContact OE2-CD2 3.37Å |
| 1093 | L | 88.7 | Confident | 85.2 | Confident | 17 Ų | 17 | 73.2 Ų | 73.2 | 9% | 0.089 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -55 | -45.8 | 171.8 | -78.3 | 169.2 | 0 | 0 | 0 | 112 | V1089 A1095 L1096 E1097 Q1148 L1151 | V1089-L1093 HydrophobicContact CG1-CD1 4.08Å; V1089-L1093 WeakPolarHBondContact O-CB 3.38Å; V1089-L1093 WeakPolarHBondContact O-CG 3.43Å; V1089-L1093 PolarHBondContact O-N 3.43Å; L1093-A1095 VanDerWaalsContact C-N 3.35Å; L1093-A1095 PolarHBondContact O-N 3.36Å; L1093-L1096 PolarHBondContact O-N 3.07Å; L1093-E1097 PolarHBondContact O-N 3.08Å; L1093-Q1148 HydrophobicContact CD2-CG 3.84Å; L1093-L1151 HydrophobicContact CD1-CB 4.37Å; L1093-L1151 HydrophobicContact CD2-CB 3.64Å; L1093-L1151 HydrophobicContact CG-CB 3.77Å |
| 1094 | S | 89.4 | Confident | 86.8 | Confident | 74 Ų | 74 | 69.5 Ų | 69.5 | 52% | 0.517 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 178 | -169.2 | 0 | 0 | 0 | 0 | 112.5 | V1090 G1091 E1092 S1098 | V1090-S1094 WeakPolarHBondContact O-CB 3.37Å; V1090-S1094 PolarHBondContact O-N 3.01Å; V1090-S1094 VanDerWaalsContact O-N 3.16Å; G1091-S1094 PolarHBondContact O-N 2.88Å; E1092-S1094 VanDerWaalsContact C-N 3.31Å; E1092-S1094 PolarHBondContact O-N 3.43Å; S1094-S1098 PolarHBondContact O-N 2.89Å; S1094-S1098 VanDerWaalsContact O-N 3.11Å |
| 1095 | A | 91.6 | Very high | 88 | Confident | 53 Ų | 53 | 66 Ų | 66 | 44% | 0.438 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1091 E1092 L1093 S1098 E1099 | G1091-A1095 PolarHBondContact O-N 2.95Å; G1091-A1095 VanDerWaalsContact O-N 3.08Å; E1092-A1095 WeakPolarHBondContact O-CB 3.39Å; E1092-A1095 PolarHBondContact O-N 3.18Å; E1092-A1095 VanDerWaalsContact O-N 3.16Å; L1093-A1095 VanDerWaalsContact C-N 3.35Å; L1093-A1095 PolarHBondContact O-N 3.36Å; A1095-S1098 WeakPolarHBondContact O-CB 3.16Å; A1095-S1098 PolarHBondContact O-N 3.44Å; A1095-S1098 VanDerWaalsContact O-N 3.12Å; A1095-S1098 PolarHBondContact O-OG 2.77Å; A1095-E1099 PolarHBondContact O-N 2.81Å |
| 1096 | L | 91.1 | Very high | 89.1 | Confident | 17 Ų | 17 | 67.5 Ų | 67.5 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 179.8 | -67.7 | 165.8 | 0 | 0 | 0 | 112.5 | E1092 L1093 S1098 E1099 Q1100 L1144 R1147 L1151 | E1092-L1096 HydrophobicContact CG-CD1 4.14Å; E1092-L1096 HydrophobicContact CG-CG 4.43Å; E1092-L1096 VanDerWaalsContact O-CG 3.29Å; E1092-L1096 WeakPolarHBondContact O-CG 3.46Å; E1092-L1096 PolarHBondContact O-N 3.01Å; L1093-L1096 PolarHBondContact O-N 3.07Å; L1096-S1098 VanDerWaalsContact C-N 3.28Å; L1096-S1098 PolarHBondContact O-N 2.77Å; L1096-E1099 PolarHBondContact O-N 2.82Å; L1096-Q1100 VanDerWaalsContact O-CB 3.27Å; L1096-Q1100 WeakPolarHBondContact O-CB 3.46Å; L1096-Q1100 PolarHBondContact O-N 2.59Å; L1096-L1144 HydrophobicContact CD2-CD2 3.43Å; L1096-L1144 VanDerWaalsContact CD2-CD2 3.43Å; L1096-R1147 HydrophobicContact CD1-CB 4.27Å; L1096-R1147 HydrophobicContact CD1-CG 3.68Å; L1096-R1147 HydrophobicContact CD2-CG 4.23Å; L1096-L1151 HydrophobicContact CD1-CD1 3.25Å |
| 1097 | E | 88.7 | Confident | 89.8 | Confident | 81 Ų | 81 | 66.5 Ų | 66.5 | 38% | 0.379 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.1 | -42.8 | 170 | -82.4 | -166.8 | -158.3 | 0 | 0 | 111.5 | L1093 E1099 Q1100 R1101 | L1093-E1097 PolarHBondContact O-N 3.08Å; E1097-E1099 VanDerWaalsContact C-N 3.31Å; E1097-E1099 PolarHBondContact O-N 2.89Å; E1097-Q1100 PolarHBondContact O-N 2.81Å; E1097-R1101 VanDerWaalsContact O-CG 3.24Å; E1097-R1101 WeakPolarHBondContact O-CG 3.49Å; E1097-R1101 PolarHBondContact O-N 2.85Å; E1097-R1101 PolarHBondContact O-NE 3.39Å; E1097-R1101 IonicContact OE2-CZ 3.89Å; E1097-R1101 IonicContact OE2-NH2 2.73Å; E1097-R1101 PolarHBondContact OE2-NH2 3.07Å |
| 1098 | S | 91.4 | Very high | 90.3 | Very high | 51 Ų | 51 | 62 Ų | 62 | 36% | 0.357 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 178.4 | 88.2 | 0 | 0 | 0 | 0 | 111 | S1094 A1095 L1096 R1101 H1102 | S1094-S1098 PolarHBondContact O-N 2.89Å; S1094-S1098 VanDerWaalsContact O-N 3.11Å; A1095-S1098 WeakPolarHBondContact O-CB 3.16Å; A1095-S1098 PolarHBondContact O-N 3.44Å; A1095-S1098 VanDerWaalsContact O-N 3.12Å; A1095-S1098 PolarHBondContact O-OG 2.77Å; L1096-S1098 VanDerWaalsContact C-N 3.28Å; L1096-S1098 PolarHBondContact O-N 2.77Å; S1098-R1101 PolarHBondContact O-N 2.73Å; S1098-H1102 PolarHBondContact O-N 3.16Å; S1098-H1102 PolarHBondContact O-ND1 2.67Å |
| 1099 | E | 91.9 | Very high | 90.6 | Very high | 74 Ų | 74 | 62.7 Ų | 62.7 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.6 | -41.9 | 179 | -168.8 | 166.1 | -152 | 0 | 0 | 111.9 | A1095 L1096 E1097 R1101 H1102 I1103 K1140 L1144 | A1095-E1099 PolarHBondContact O-N 2.81Å; L1096-E1099 PolarHBondContact O-N 2.82Å; E1097-E1099 VanDerWaalsContact C-N 3.31Å; E1097-E1099 PolarHBondContact O-N 2.89Å; E1099-R1101 VanDerWaalsContact C-N 3.31Å; E1099-R1101 PolarHBondContact O-N 3.15Å; E1099-H1102 CarbonylContact O-C 3.52Å; E1099-H1102 WeakPolarHBondContact O-CA 3.47Å; E1099-H1102 WeakPolarHBondContact O-CB 3.34Å; E1099-H1102 PolarHBondContact O-N 3.07Å; E1099-I1103 HydrophobicContact CG-CG1 4.36Å; E1099-I1103 WeakPolarHBondContact O-CG1 3.43Å; E1099-I1103 PolarHBondContact O-N 2.77Å; E1099-K1140 WeakPolarHBondContact OE1-CE 3.45Å; E1099-K1140 IonicContact OE1-NZ 3.1Å; E1099-K1140 PolarHBondContact OE1-NZ 3.37Å; E1099-L1144 HydrophobicContact CB-CD1 4.37Å; E1099-L1144 HydrophobicContact CB-CD2 4.43Å; E1099-L1144 HydrophobicContact CG-CD1 4.01Å; E1099-L1144 HydrophobicContact CG-CD2 4.4Å |
| 1100 | Q | 89.6 | Confident | 90.9 | Very high | 43 Ų | 43 | 62.5 Ų | 62.5 | 20% | 0.201 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.1 | -44 | 173.7 | -176 | -176.7 | 80.6 | 0 | 0 | 111.3 | L1096 E1097 H1102 I1103 D1104 | L1096-Q1100 VanDerWaalsContact O-CB 3.27Å; L1096-Q1100 WeakPolarHBondContact O-CB 3.46Å; L1096-Q1100 PolarHBondContact O-N 2.59Å; E1097-Q1100 PolarHBondContact O-N 2.81Å; Q1100-H1102 VanDerWaalsContact C-N 3.33Å; Q1100-H1102 PolarHBondContact O-N 3.15Å; Q1100-I1103 PolarHBondContact O-N 3.05Å; Q1100-D1104 WeakPolarHBondContact O-CB 3.48Å; Q1100-D1104 PolarHBondContact O-N 3.01Å |
| 1101 | R | 91.4 | Very high | 91.3 | Very high | 147 Ų | 147 | 61.7 Ų | 61.7 | 56% | 0.555 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.5 | -37.6 | 173.7 | -69.6 | 174.9 | -131.7 | 161.1 | -1.1 | 112.6 | E1097 S1098 E1099 A1105 | E1097-R1101 VanDerWaalsContact O-CG 3.24Å; E1097-R1101 WeakPolarHBondContact O-CG 3.49Å; E1097-R1101 PolarHBondContact O-N 2.85Å; E1097-R1101 PolarHBondContact O-NE 3.39Å; E1097-R1101 IonicContact OE2-CZ 3.89Å; E1097-R1101 IonicContact OE2-NH2 2.73Å; E1097-R1101 PolarHBondContact OE2-NH2 3.07Å; S1098-R1101 PolarHBondContact O-N 2.73Å; E1099-R1101 VanDerWaalsContact C-N 3.31Å; E1099-R1101 PolarHBondContact O-N 3.15Å; R1101-A1105 WeakPolarHBondContact O-CB 3.23Å; R1101-A1105 PolarHBondContact O-N 3.08Å |
| 1102 | H | 93.3 | Very high | 91.5 | Very high | 134 Ų | 134 | 67 Ų | 67 | 62% | 0.62 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69.7 | -40.5 | 174.9 | -75.3 | 91.2 | 0 | 0 | 0 | 112.4 | S1098 E1099 Q1100 R1106 | S1098-H1102 PolarHBondContact O-N 3.16Å; S1098-H1102 PolarHBondContact O-ND1 2.67Å; E1099-H1102 CarbonylContact O-C 3.52Å; E1099-H1102 WeakPolarHBondContact O-CA 3.47Å; E1099-H1102 WeakPolarHBondContact O-CB 3.34Å; E1099-H1102 PolarHBondContact O-N 3.07Å; Q1100-H1102 VanDerWaalsContact C-N 3.33Å; Q1100-H1102 PolarHBondContact O-N 3.15Å; H1102-R1106 VanDerWaalsContact O-CB 3.31Å; H1102-R1106 WeakPolarHBondContact O-CB 3.32Å; H1102-R1106 PolarHBondContact O-N 3.5Å |
| 1103 | I | 92.2 | Very high | 91.4 | Very high | 16 Ų | 16 | 69.2 Ų | 69.2 | 8% | 0.082 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.2 | -47.8 | 176.3 | -66.3 | -66.4 | 0 | 0 | 0 | 110.3 | E1099 Q1100 A1105 R1106 A1107 L1137 K1140 K1141 L1144 | E1099-I1103 HydrophobicContact CG-CG1 4.36Å; E1099-I1103 WeakPolarHBondContact O-CG1 3.43Å; E1099-I1103 PolarHBondContact O-N 2.77Å; Q1100-I1103 PolarHBondContact O-N 3.05Å; I1103-A1105 PolarHBondContact O-N 2.93Å; I1103-R1106 PolarHBondContact O-N 3.01Å; I1103-R1106 VanDerWaalsContact O-N 3.15Å; I1103-A1107 VanDerWaalsContact O-CB 3.26Å; I1103-A1107 WeakPolarHBondContact O-CB 3.45Å; I1103-A1107 PolarHBondContact O-N 3.11Å; I1103-L1137 HydrophobicContact CD1-CD2 3.64Å; I1103-L1137 HydrophobicContact CG2-CB 4.41Å; I1103-L1137 HydrophobicContact CG2-CD2 4.21Å; I1103-K1140 HydrophobicContact CD1-CD 3.73Å; I1103-K1140 HydrophobicContact CD1-CG 3.96Å; I1103-K1140 HydrophobicContact CG1-CD 4.48Å; I1103-K1140 HydrophobicContact CG1-CG 4.34Å; I1103-K1141 HydrophobicContact CG2-CB 4.06Å; I1103-L1144 HydrophobicContact CG1-CD1 3.9Å |
| 1104 | D | 90.4 | Very high | 91.4 | Very high | 61 Ų | 61 | 68.8 Ų | 68.8 | 33% | 0.326 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 178.1 | -81.7 | -14.6 | 0 | 0 | 0 | 112.6 | Q1100 R1106 A1107 A1108 K1141 | Q1100-D1104 WeakPolarHBondContact O-CB 3.48Å; Q1100-D1104 PolarHBondContact O-N 3.01Å; D1104-R1106 VanDerWaalsContact C-N 3.27Å; D1104-R1106 PolarHBondContact O-N 3.37Å; D1104-A1107 PolarHBondContact O-N 2.94Å; D1104-A1108 WeakPolarHBondContact O-CB 3.38Å; D1104-A1108 PolarHBondContact O-N 3.48Å; D1104-K1141 WeakPolarHBondContact OD1-CD 3.09Å; D1104-K1141 WeakPolarHBondContact OD1-CE 3.25Å; D1104-K1141 IonicContact OD1-NZ 2.77Å; D1104-K1141 PolarHBondContact OD1-NZ 3.3Å; D1104-K1141 IonicContact OD2-NZ 3.67Å; D1104-K1141 PolarHBondContact OD2-NZ 3.28Å |
| 1105 | A | 94.9 | Very high | 91.3 | Very high | 48 Ų | 48 | 70.4 Ų | 70.4 | 40% | 0.397 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.9 | -32.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1101 I1103 R1109 | R1101-A1105 WeakPolarHBondContact O-CB 3.23Å; R1101-A1105 PolarHBondContact O-N 3.08Å; I1103-A1105 PolarHBondContact O-N 2.93Å; A1105-R1109 VanDerWaalsContact C-NH1 3.34Å; A1105-R1109 WeakPolarHBondContact O-CG 3.15Å; A1105-R1109 PolarHBondContact O-NH1 2.89Å |
| 1106 | R | 92.3 | Very high | 91.1 | Very high | 115 Ų | 115 | 74 Ų | 74 | 43% | 0.434 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -75.6 | -46.7 | 175.5 | -169.8 | 170.6 | 174.1 | 166.3 | 0.7 | 111 | H1102 I1103 D1104 A1108 R1109 V1110 E1133 L1137 | H1102-R1106 VanDerWaalsContact O-CB 3.31Å; H1102-R1106 WeakPolarHBondContact O-CB 3.32Å; H1102-R1106 PolarHBondContact O-N 3.5Å; I1103-R1106 PolarHBondContact O-N 3.01Å; I1103-R1106 VanDerWaalsContact O-N 3.15Å; D1104-R1106 VanDerWaalsContact C-N 3.27Å; D1104-R1106 PolarHBondContact O-N 3.37Å; R1106-A1108 PolarHBondContact O-N 3.25Å; R1106-R1109 WeakPolarHBondContact O-CB 3.23Å; R1106-R1109 PolarHBondContact O-N 2.86Å; R1106-V1110 HydrophobicContact CG-CG2 4.48Å; R1106-V1110 WeakPolarHBondContact O-CG2 3.49Å; R1106-V1110 PolarHBondContact O-N 2.67Å; R1106-E1133 IonicContact CZ-OE1 3.25Å; R1106-E1133 VanDerWaalsContact CZ-OE1 3.23Å; R1106-E1133 IonicContact CZ-OE2 3.12Å; R1106-E1133 IonicContact NE-OE1 2.96Å; R1106-E1133 PolarHBondContact NE-OE1 2.82Å; R1106-E1133 IonicContact NH2-OE1 4Å; R1106-E1133 PolarHBondContact NH2-OE1 3.33Å; R1106-E1133 IonicContact NH2-OE2 3.96Å; R1106-E1133 PolarHBondContact NH2-OE2 3.23Å; R1106-L1137 HydrophobicContact CB-CD1 4.3Å; R1106-L1137 HydrophobicContact CB-CD2 4.37Å; R1106-L1137 HydrophobicContact CG-CD1 3.9Å; R1106-L1137 HydrophobicContact CG-CD2 4.26Å |
| 1107 | A | 89.9 | Confident | 90.8 | Very high | 12 Ų | 12 | 73.4 Ų | 73.4 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.9 | -48.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1103 D1104 R1109 V1110 E1111 W1134 L1137 | I1103-A1107 VanDerWaalsContact O-CB 3.26Å; I1103-A1107 WeakPolarHBondContact O-CB 3.45Å; I1103-A1107 PolarHBondContact O-N 3.11Å; D1104-A1107 PolarHBondContact O-N 2.94Å; A1107-R1109 PolarHBondContact O-N 3.38Å; A1107-V1110 PolarHBondContact O-N 3.34Å; A1107-E1111 WeakPolarHBondContact O-CB 3.46Å; A1107-E1111 PolarHBondContact O-N 3.05Å; A1107-W1134 HydrophobicContact CB-CE3 4.3Å; A1107-W1134 HydrophobicContact CB-CZ3 3.75Å; A1107-W1134 WeakPolarHBondContact O-CZ3 3.48Å; A1107-L1137 HydrophobicContact CB-CD1 4.37Å |
| 1108 | A | 92.9 | Very high | 90.2 | Very high | 55 Ų | 55 | 69.8 Ų | 69.8 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -28.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | D1104 R1106 K1112 | D1104-A1108 WeakPolarHBondContact O-CB 3.38Å; D1104-A1108 PolarHBondContact O-N 3.48Å; R1106-A1108 PolarHBondContact O-N 3.25Å; A1108-K1112 WeakPolarHBondContact O-CB 3.25Å; A1108-K1112 PolarHBondContact O-N 3.42Å |
| 1109 | R | 94.4 | Very high | 89.8 | Confident | 157 Ų | 157 | 72.5 Ų | 72.5 | 59% | 0.592 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -75.5 | -43.5 | 171.6 | -67.3 | -173.7 | -58.1 | -93.9 | 11.3 | 111.4 | A1105 R1106 A1107 K1112 R1113 | A1105-R1109 VanDerWaalsContact C-NH1 3.34Å; A1105-R1109 WeakPolarHBondContact O-CG 3.15Å; A1105-R1109 PolarHBondContact O-NH1 2.89Å; R1106-R1109 WeakPolarHBondContact O-CB 3.23Å; R1106-R1109 PolarHBondContact O-N 2.86Å; A1107-R1109 PolarHBondContact O-N 3.38Å; R1109-K1112 PolarHBondContact O-N 3.4Å; R1109-R1113 WeakPolarHBondContact O-CB 3.31Å; R1109-R1113 PolarHBondContact O-N 3.32Å |
| 1110 | V | 92.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.8 | -51.2 | 178.1 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | R1106 A1107 K1112 R1113 L1114 M1130 E1133 W1134 L1137 | R1106-V1110 HydrophobicContact CG-CG2 4.48Å; R1106-V1110 WeakPolarHBondContact O-CG2 3.49Å; R1106-V1110 PolarHBondContact O-N 2.67Å; A1107-V1110 PolarHBondContact O-N 3.34Å; V1110-K1112 PolarHBondContact O-N 2.79Å; V1110-R1113 PolarHBondContact O-N 3.31Å; V1110-L1114 VanDerWaalsContact O-CB 3.25Å; V1110-L1114 WeakPolarHBondContact O-CB 3.45Å; V1110-L1114 PolarHBondContact O-N 2.98Å; V1110-M1130 HydrophobicContact CB-CE 4.04Å; V1110-M1130 HydrophobicContact CG1-CE 4.03Å; V1110-M1130 VanDerWaalsContact CG1-O 3.23Å; V1110-M1130 WeakPolarHBondContact CG1-O 3.49Å; V1110-M1130 HydrophobicContact CG2-CE 3.87Å; V1110-E1133 HydrophobicContact CG2-CG 3.92Å; V1110-E1133 WeakPolarHBondContact CG2-OE1 3.47Å; V1110-W1134 HydrophobicContact CB-CE3 4.43Å; V1110-W1134 HydrophobicContact CG1-CB 3.81Å; V1110-W1134 HydrophobicContact CG1-CE3 4.18Å; V1110-L1137 HydrophobicContact CB-CD1 4.38Å; V1110-L1137 HydrophobicContact CG2-CD1 3.79Å |
| 1111 | E | 93.1 | Very high | 88.6 | Confident | 58 Ų | 58 | 69.9 Ų | 69.9 | 27% | 0.271 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.7 | -46.2 | 177.8 | -162.1 | -133.4 | 160.2 | 0 | 0 | 112.1 | A1107 R1113 L1114 R1115 W1134 | A1107-E1111 WeakPolarHBondContact O-CB 3.46Å; A1107-E1111 PolarHBondContact O-N 3.05Å; E1111-R1113 PolarHBondContact O-N 3.15Å; E1111-L1114 PolarHBondContact O-N 2.82Å; E1111-R1115 WeakPolarHBondContact O-CB 3.33Å; E1111-R1115 WeakPolarHBondContact O-CG 3.5Å; E1111-R1115 PolarHBondContact O-N 3.43Å; E1111-R1115 IonicContact OE1-CZ 2.73Å; E1111-R1115 IonicContact OE1-NE 2.79Å; E1111-R1115 PolarHBondContact OE1-NE 3.26Å; E1111-R1115 IonicContact OE1-NH2 3.98Å; E1111-R1115 PolarHBondContact OE1-NH2 2.72Å; E1111-R1115 IonicContact OE2-CZ 2.72Å; E1111-R1115 IonicContact OE2-NE 3.23Å; E1111-R1115 IonicContact OE2-NH2 3.72Å; E1111-R1115 PolarHBondContact OE2-NH2 2.65Å; E1111-W1134 HydrophobicContact CB-CE3 4.15Å; E1111-W1134 HydrophobicContact CB-CH2 4.05Å; E1111-W1134 HydrophobicContact CB-CZ3 3.6Å; E1111-W1134 HydrophobicContact CG-CH2 3.95Å; E1111-W1134 HydrophobicContact CG-CZ3 4.02Å |
| 1112 | K | 92.1 | Very high | 87.7 | Confident | 153 Ų | 153 | 69 Ų | 69 | 67% | 0.665 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.8 | -38.8 | 178 | -175.6 | 176.3 | 179.5 | 178.7 | 0 | 112.4 | A1108 R1109 V1110 Y1116 | A1108-K1112 WeakPolarHBondContact O-CB 3.25Å; A1108-K1112 PolarHBondContact O-N 3.42Å; R1109-K1112 PolarHBondContact O-N 3.4Å; V1110-K1112 PolarHBondContact O-N 2.79Å; K1112-Y1116 PolarHBondContact O-N 3.16Å |
| 1113 | R | 88.4 | Confident | 87 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 33% | 0.325 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72.5 | -41.6 | 176.3 | -179.2 | 55.4 | 173.8 | 178.6 | 1.4 | 111.3 | R1109 V1110 E1111 Y1116 L1117 E1126 M1130 | R1109-R1113 WeakPolarHBondContact O-CB 3.31Å; R1109-R1113 PolarHBondContact O-N 3.32Å; V1110-R1113 PolarHBondContact O-N 3.31Å; E1111-R1113 PolarHBondContact O-N 3.15Å; R1113-Y1116 VanDerWaalsContact NH1-CD1 3.28Å; R1113-Y1116 WeakPolarHBondContact O-CB 3.44Å; R1113-Y1116 PolarHBondContact O-N 2.9Å; R1113-L1117 HydrophobicContact CG-CD1 3.9Å; R1113-L1117 HydrophobicContact CG-CG 4.35Å; R1113-L1117 WeakPolarHBondContact O-CB 3.35Å; R1113-L1117 VanDerWaalsContact O-CG 3.26Å; R1113-L1117 WeakPolarHBondContact O-CG 3.37Å; R1113-L1117 PolarHBondContact O-N 2.84Å; R1113-E1126 IonicContact CZ-OE1 2.73Å; R1113-E1126 IonicContact CZ-OE2 3.76Å; R1113-E1126 IonicContact NE-OE1 3.06Å; R1113-E1126 PolarHBondContact NE-OE1 3.02Å; R1113-E1126 IonicContact NH2-OE1 2.82Å; R1113-E1126 PolarHBondContact NH2-OE1 2.81Å; R1113-E1126 IonicContact NH2-OE2 2.7Å; R1113-E1126 PolarHBondContact NH2-OE2 2.87Å; R1113-M1130 HydrophobicContact CB-CE 3.76Å; R1113-M1130 HydrophobicContact CG-CE 3.81Å; R1113-M1130 HydrophobicContact CG-CG 4.43Å |
| 1114 | L | 88.1 | Confident | 86 | Confident | 7 Ų | 7 | 69.4 Ų | 69.4 | 4% | 0.037 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.4 | -49.9 | 175.9 | 179.4 | 61.1 | 0 | 0 | 0 | 111 | V1110 E1111 Y1116 L1117 M1118 E1127 M1130 M1131 | V1110-L1114 VanDerWaalsContact O-CB 3.25Å; V1110-L1114 WeakPolarHBondContact O-CB 3.45Å; V1110-L1114 PolarHBondContact O-N 2.98Å; E1111-L1114 PolarHBondContact O-N 2.82Å; L1114-Y1116 VanDerWaalsContact C-N 3.33Å; L1114-Y1116 PolarHBondContact O-N 2.92Å; L1114-L1117 PolarHBondContact O-N 2.96Å; L1114-L1117 VanDerWaalsContact O-N 3.09Å; L1114-M1118 HydrophobicContact CD1-CG 3.97Å; L1114-M1118 HydrophobicContact CD1-SD 3.75Å; L1114-M1118 HydrophobicContact CD2-SD 4.49Å; L1114-M1118 HydrophobicContact CG-CG 4.4Å; L1114-M1118 HydrophobicContact CG-SD 3.81Å; L1114-M1118 VanDerWaalsContact O-CG 3.28Å; L1114-M1118 WeakPolarHBondContact O-CG 3.42Å; L1114-M1118 PolarHBondContact O-N 2.84Å; L1114-E1127 HydrophobicContact CD1-CG 4.13Å; L1114-E1127 WeakPolarHBondContact CD1-O 3.47Å; L1114-M1130 HydrophobicContact CD1-CB 4.45Å; L1114-M1131 HydrophobicContact CD1-CG 3.61Å; L1114-M1131 HydrophobicContact CD2-CG 3.85Å; L1114-M1131 HydrophobicContact CG-CG 4.39Å |
| 1115 | R | 86.7 | Confident | 85.5 | Confident | 108 Ų | 108 | 74.4 Ų | 74.4 | 41% | 0.408 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.7 | -45.5 | 174 | -75.7 | -165.6 | -92.2 | 110.5 | -12.2 | 112 | L567 E1111 L1117 M1118 D1119 | L567-R1115 HydrophobicContact CD2-CG 4.1Å; E1111-R1115 WeakPolarHBondContact O-CB 3.33Å; E1111-R1115 WeakPolarHBondContact O-CG 3.5Å; E1111-R1115 PolarHBondContact O-N 3.43Å; E1111-R1115 IonicContact OE1-CZ 2.73Å; E1111-R1115 IonicContact OE1-NE 2.79Å; E1111-R1115 PolarHBondContact OE1-NE 3.26Å; E1111-R1115 IonicContact OE1-NH2 3.98Å; E1111-R1115 PolarHBondContact OE1-NH2 2.72Å; E1111-R1115 IonicContact OE2-CZ 2.72Å; E1111-R1115 IonicContact OE2-NE 3.23Å; E1111-R1115 IonicContact OE2-NH2 3.72Å; E1111-R1115 PolarHBondContact OE2-NH2 2.65Å; R1115-L1117 PolarHBondContact O-N 3.31Å; R1115-M1118 PolarHBondContact O-N 2.94Å; R1115-D1119 WeakPolarHBondContact O-CB 3.5Å; R1115-D1119 PolarHBondContact O-N 3.33Å |
| 1116 | Y | 87.7 | Confident | 85 | Confident | 130 Ų | 130 | 75 Ų | 75 | 51% | 0.51 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 174.4 | 172.1 | -90.2 | 0 | 0 | 0 | 113 | K1112 R1113 L1114 T1120 | K1112-Y1116 PolarHBondContact O-N 3.16Å; R1113-Y1116 VanDerWaalsContact NH1-CD1 3.28Å; R1113-Y1116 WeakPolarHBondContact O-CB 3.44Å; R1113-Y1116 PolarHBondContact O-N 2.9Å; L1114-Y1116 VanDerWaalsContact C-N 3.33Å; L1114-Y1116 PolarHBondContact O-N 2.92Å; Y1116-T1120 VanDerWaalsContact O-CB 3.27Å; Y1116-T1120 WeakPolarHBondContact O-CB 3.22Å; Y1116-T1120 PolarHBondContact O-N 2.86Å; Y1116-T1120 PolarHBondContact O-OG1 3.45Å |
| 1117 | L | 84.3 | Confident | 84.6 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 179.5 | -73.2 | 169.5 | 0 | 0 | 0 | 111.5 | R1113 L1114 R1115 D1119 T1120 G1121 N1123 E1126 E1127 M1130 | R1113-L1117 HydrophobicContact CG-CD1 3.9Å; R1113-L1117 HydrophobicContact CG-CG 4.35Å; R1113-L1117 WeakPolarHBondContact O-CB 3.35Å; R1113-L1117 VanDerWaalsContact O-CG 3.26Å; R1113-L1117 WeakPolarHBondContact O-CG 3.37Å; R1113-L1117 PolarHBondContact O-N 2.84Å; L1114-L1117 PolarHBondContact O-N 2.96Å; L1114-L1117 VanDerWaalsContact O-N 3.09Å; R1115-L1117 PolarHBondContact O-N 3.31Å; L1117-D1119 PolarHBondContact O-N 2.98Å; L1117-T1120 PolarHBondContact O-N 3.3Å; L1117-G1121 WeakPolarHBondContact O-CA 3.43Å; L1117-G1121 PolarHBondContact O-N 3.44Å; L1117-N1123 HydrophobicContact CD2-CB 3.94Å; L1117-E1126 HydrophobicContact CD1-CB 4.04Å; L1117-E1126 HydrophobicContact CD1-CG 3.83Å; L1117-E1126 HydrophobicContact CD2-CB 4.39Å; L1117-E1127 HydrophobicContact CB-CB 4.26Å; L1117-E1127 HydrophobicContact CB-CG 4.5Å; L1117-M1130 HydrophobicContact CD1-CG 4.07Å |
| 1118 | M | 77.6 | Confident | 84.1 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 3% | 0.03 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71 | -28 | 179.1 | -63.5 | 179.2 | 95.1 | 0 | 0 | 113.7 | L567 M570 Y574 L1114 R1115 E1127 | L567-M1118 HydrophobicContact CD1-CE 3.79Å; L567-M1118 HydrophobicContact CD1-SD 3.35Å; L567-M1118 WeakPolarHBondContact CD1-SD 3.31Å; M570-M1118 HydrophobicContact CE-CB 4.46Å; M570-M1118 HydrophobicContact CE-CE 3.88Å; Y574-M1118 HydrophobicContact CE2-CE 4.29Å; L1114-M1118 HydrophobicContact CD1-CG 3.97Å; L1114-M1118 HydrophobicContact CD1-SD 3.75Å; L1114-M1118 HydrophobicContact CD2-SD 4.49Å; L1114-M1118 HydrophobicContact CG-CG 4.4Å; L1114-M1118 HydrophobicContact CG-SD 3.81Å; L1114-M1118 VanDerWaalsContact O-CG 3.28Å; L1114-M1118 WeakPolarHBondContact O-CG 3.42Å; L1114-M1118 PolarHBondContact O-N 2.84Å; R1115-M1118 PolarHBondContact O-N 2.94Å; M1118-E1127 HydrophobicContact CG-CG 3.74Å |
| 1119 | D | 82.1 | Confident | 83.6 | Confident | 108 Ų | 108 | 71 Ų | 71 | 58% | 0.578 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -79.2 | -33.3 | 172.5 | -77.3 | -26.4 | 0 | 0 | 0 | 112.6 | K566 R1115 L1117 | K566-D1119 IonicContact NZ-OD1 3.67Å; K566-D1119 PolarHBondContact NZ-OD1 2.84Å; R1115-D1119 WeakPolarHBondContact O-CB 3.5Å; R1115-D1119 PolarHBondContact O-N 3.33Å; L1117-D1119 PolarHBondContact O-N 2.98Å |
| 1120 | T | 81 | Confident | 83.1 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -86.2 | -34.9 | -179.4 | -48.4 | 0 | 0 | 0 | 0 | 112.3 | Y1116 L1117 N1122 | Y1116-T1120 VanDerWaalsContact O-CB 3.27Å; Y1116-T1120 WeakPolarHBondContact O-CB 3.22Å; Y1116-T1120 PolarHBondContact O-N 2.86Å; Y1116-T1120 PolarHBondContact O-OG1 3.45Å; L1117-T1120 PolarHBondContact O-N 3.3Å; T1120-N1122 VanDerWaalsContact C-N 3.3Å; T1120-N1122 HydrophobicContact CG2-CB 4.3Å; T1120-N1122 PolarHBondContact O-N 2.8Å; T1120-N1122 PolarHBondContact O-OD1 2.84Å |
| 1121 | G | 76.8 | Confident | 82.5 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | trans | 72.5 | 8.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | L1117 | L1117-G1121 WeakPolarHBondContact O-CA 3.43Å; L1117-G1121 PolarHBondContact O-N 3.44Å | ||
| 1122 | N | 71.9 | Confident | 81.8 | Confident | 127 Ų | 127 | 68 Ų | 68 | 68% | 0.679 | 33% | 0.327 | S | S | * | . | trans | -84 | -40.6 | -170.1 | -76.7 | -4.1 | 0 | 0 | 0 | 114.8 | T1120 | T1120-N1122 VanDerWaalsContact C-N 3.3Å; T1120-N1122 HydrophobicContact CG2-CB 4.3Å; T1120-N1122 PolarHBondContact O-N 2.8Å; T1120-N1122 PolarHBondContact O-OD1 2.84Å | ||
| 1123 | N | 77.6 | Confident | 81.6 | Confident | 77 Ų | 77 | 62.7 Ų | 62.7 | 41% | 0.412 | 31% | 0.305 | S | S | . | . | trans | -117 | 87.4 | -171.3 | -59.9 | 2.4 | 0 | 0 | 0 | 110.8 | L1117 E1126 E1127 | L1117-N1123 HydrophobicContact CD2-CB 3.94Å; N1123-E1126 HydrophobicContact CB-CB 3.77Å; N1123-E1126 PolarHBondContact ND2-OE2 2.71Å; N1123-E1126 PolarHBondContact O-N 3.24Å; N1123-E1127 WeakPolarHBondContact O-CB 3.32Å; N1123-E1127 PolarHBondContact O-N 2.72Å | ||
| 1124 | K | 71.3 | Confident | 81.5 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 36% | 0.357 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.6 | -40.8 | -176.1 | -64.8 | -171.7 | 179.9 | -168.7 | 0 | 114.4 | P476 A478 E1126 E1127 E1128 | P476-K1124 PolarHBondContact O-NZ 3.27Å; A478-K1124 HydrophobicContact CB-CD 4.41Å; K1124-E1126 VanDerWaalsContact C-N 3.25Å; K1124-E1126 PolarHBondContact O-N 2.95Å; K1124-E1127 WeakPolarHBondContact O-CB 3.44Å; K1124-E1127 PolarHBondContact O-N 3.22Å; K1124-E1128 PolarHBondContact O-N 3Å |
| 1125 | E | 81.3 | Confident | 80.9 | Confident | 167 Ų | 167 | 67.2 Ų | 67.2 | 78% | 0.78 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.6 | -35.8 | 178.6 | -172.9 | 173.9 | -168.5 | 0 | 0 | 110.9 | A1129 | E1125-A1129 WeakPolarHBondContact O-CB 3.46Å; E1125-A1129 PolarHBondContact O-N 3.17Å |
| 1126 | E | 84.6 | Confident | 80.6 | Confident | 59 Ų | 59 | 68 Ų | 68 | 28% | 0.276 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -72.5 | -40.5 | 171.4 | -155.8 | -169.2 | 157.1 | 0 | 0 | 112 | R1113 L1117 N1123 K1124 E1128 A1129 M1130 | R1113-E1126 IonicContact CZ-OE1 2.73Å; R1113-E1126 IonicContact CZ-OE2 3.76Å; R1113-E1126 IonicContact NE-OE1 3.06Å; R1113-E1126 PolarHBondContact NE-OE1 3.02Å; R1113-E1126 IonicContact NH2-OE1 2.82Å; R1113-E1126 PolarHBondContact NH2-OE1 2.81Å; R1113-E1126 IonicContact NH2-OE2 2.7Å; R1113-E1126 PolarHBondContact NH2-OE2 2.87Å; L1117-E1126 HydrophobicContact CD1-CB 4.04Å; L1117-E1126 HydrophobicContact CD1-CG 3.83Å; L1117-E1126 HydrophobicContact CD2-CB 4.39Å; N1123-E1126 HydrophobicContact CB-CB 3.77Å; N1123-E1126 PolarHBondContact ND2-OE2 2.71Å; N1123-E1126 PolarHBondContact O-N 3.24Å; K1124-E1126 VanDerWaalsContact C-N 3.25Å; K1124-E1126 PolarHBondContact O-N 2.95Å; E1126-E1128 VanDerWaalsContact C-N 3.3Å; E1126-E1128 PolarHBondContact O-N 3.49Å; E1126-A1129 PolarHBondContact O-N 3.45Å; E1126-M1130 HydrophobicContact CG-CG 4.43Å; E1126-M1130 VanDerWaalsContact O-CB 3.28Å; E1126-M1130 WeakPolarHBondContact O-CB 3.47Å; E1126-M1130 WeakPolarHBondContact O-CG 3.46Å; E1126-M1130 PolarHBondContact O-N 3.24Å |
| 1127 | E | 82.9 | Confident | 80.6 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.3 | -44 | 174.4 | -173.8 | -175.7 | 153.3 | 0 | 0 | 111 | L1114 L1117 M1118 N1123 K1124 M1131 | L1114-E1127 HydrophobicContact CD1-CG 4.13Å; L1114-E1127 WeakPolarHBondContact CD1-O 3.47Å; L1117-E1127 HydrophobicContact CB-CB 4.26Å; L1117-E1127 HydrophobicContact CB-CG 4.5Å; M1118-E1127 HydrophobicContact CG-CG 3.74Å; N1123-E1127 WeakPolarHBondContact O-CB 3.32Å; N1123-E1127 PolarHBondContact O-N 2.72Å; K1124-E1127 WeakPolarHBondContact O-CB 3.44Å; K1124-E1127 PolarHBondContact O-N 3.22Å; E1127-M1131 PolarHBondContact O-N 2.88Å |
| 1128 | E | 78.7 | Confident | 80.6 | Confident | 41 Ų | 41 | 64.7 Ų | 64.7 | 19% | 0.192 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70 | -49.5 | 178.5 | -166.1 | -176.3 | 144.6 | 0 | 0 | 112.4 | L585 K1124 E1126 M1130 M1131 Q1132 | L585-E1128 HydrophobicContact CD1-CG 4.11Å; K1124-E1128 PolarHBondContact O-N 3Å; E1126-E1128 VanDerWaalsContact C-N 3.3Å; E1126-E1128 PolarHBondContact O-N 3.49Å; E1128-M1130 PolarHBondContact O-N 3.09Å; E1128-M1131 WeakPolarHBondContact O-CA 3.25Å; E1128-M1131 WeakPolarHBondContact O-CB 3.26Å; E1128-M1131 PolarHBondContact O-N 3.35Å; E1128-Q1132 WeakPolarHBondContact O-CG 3.35Å; E1128-Q1132 PolarHBondContact O-N 2.87Å; E1128-Q1132 PolarHBondContact OE1-NE2 2.77Å |
| 1129 | A | 82.2 | Confident | 80.7 | Confident | 51 Ų | 51 | 69.5 Ų | 69.5 | 42% | 0.421 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.8 | -37.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1125 E1126 Q1132 E1133 | E1125-A1129 WeakPolarHBondContact O-CB 3.46Å; E1125-A1129 PolarHBondContact O-N 3.17Å; E1126-A1129 PolarHBondContact O-N 3.45Å; A1129-Q1132 PolarHBondContact O-N 3.35Å; A1129-E1133 WeakPolarHBondContact O-CB 3.13Å; A1129-E1133 PolarHBondContact O-N 2.91Å |
| 1130 | M | 85.6 | Confident | 80.8 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 16% | 0.158 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.5 | -28.2 | 176 | -64.5 | -60.2 | -75.7 | 0 | 0 | 112.9 | V1110 R1113 L1114 L1117 E1126 E1128 W1134 | V1110-M1130 HydrophobicContact CB-CE 4.04Å; V1110-M1130 HydrophobicContact CG1-CE 4.03Å; V1110-M1130 VanDerWaalsContact CG1-O 3.23Å; V1110-M1130 WeakPolarHBondContact CG1-O 3.49Å; V1110-M1130 HydrophobicContact CG2-CE 3.87Å; R1113-M1130 HydrophobicContact CB-CE 3.76Å; R1113-M1130 HydrophobicContact CG-CE 3.81Å; R1113-M1130 HydrophobicContact CG-CG 4.43Å; L1114-M1130 HydrophobicContact CD1-CB 4.45Å; L1117-M1130 HydrophobicContact CD1-CG 4.07Å; E1126-M1130 HydrophobicContact CG-CG 4.43Å; E1126-M1130 VanDerWaalsContact O-CB 3.28Å; E1126-M1130 WeakPolarHBondContact O-CB 3.47Å; E1126-M1130 WeakPolarHBondContact O-CG 3.46Å; E1126-M1130 PolarHBondContact O-N 3.24Å; E1128-M1130 PolarHBondContact O-N 3.09Å; M1130-W1134 VanDerWaalsContact O-CB 3.31Å; M1130-W1134 WeakPolarHBondContact O-CB 3.28Å; M1130-W1134 PolarHBondContact O-N 2.77Å |
| 1131 | M | 79.6 | Confident | 81 | Confident | 29 Ų | 29 | 69.2 Ų | 69.2 | 14% | 0.143 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.9 | -43.8 | 166.6 | -78.7 | -155.2 | -67.1 | 0 | 0 | 112.2 | L1114 E1127 E1128 E1133 W1134 F1135 | L1114-M1131 HydrophobicContact CD1-CG 3.61Å; L1114-M1131 HydrophobicContact CD2-CG 3.85Å; L1114-M1131 HydrophobicContact CG-CG 4.39Å; E1127-M1131 PolarHBondContact O-N 2.88Å; E1128-M1131 WeakPolarHBondContact O-CA 3.25Å; E1128-M1131 WeakPolarHBondContact O-CB 3.26Å; E1128-M1131 PolarHBondContact O-N 3.35Å; M1131-E1133 VanDerWaalsContact C-N 3.34Å; M1131-E1133 PolarHBondContact O-N 3.39Å; M1131-W1134 WeakPolarHBondContact O-CB 3.44Å; M1131-W1134 PolarHBondContact O-N 2.85Å; M1131-W1134 VanDerWaalsContact O-N 3.15Å; M1131-F1135 HydrophobicContact CB-CE2 4.42Å; M1131-F1135 WeakPolarHBondContact O-CD2 3.45Å; M1131-F1135 PolarHBondContact O-N 3.27Å |
| 1132 | Q | 78.2 | Confident | 81.2 | Confident | 91 Ų | 91 | 72.3 Ų | 72.3 | 43% | 0.425 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 176.9 | -65.8 | 176.5 | 13.9 | 0 | 0 | 110.8 | E1128 A1129 F1135 M1136 | E1128-Q1132 WeakPolarHBondContact O-CG 3.35Å; E1128-Q1132 PolarHBondContact O-N 2.87Å; E1128-Q1132 PolarHBondContact OE1-NE2 2.77Å; A1129-Q1132 PolarHBondContact O-N 3.35Å; Q1132-F1135 PolarHBondContact O-N 3.42Å; Q1132-M1136 WeakPolarHBondContact O-CG 3.48Å; Q1132-M1136 PolarHBondContact O-N 3.34Å; Q1132-M1136 VanDerWaalsContact O-N 3.08Å |
| 1133 | E | 86.8 | Confident | 81.7 | Confident | 42 Ų | 42 | 68.9 Ų | 68.9 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 172.3 | -174.3 | 172.9 | 147.5 | 0 | 0 | 112 | R1106 V1110 A1129 M1131 M1136 L1137 | R1106-E1133 IonicContact CZ-OE1 3.25Å; R1106-E1133 VanDerWaalsContact CZ-OE1 3.23Å; R1106-E1133 IonicContact CZ-OE2 3.12Å; R1106-E1133 IonicContact NE-OE1 2.96Å; R1106-E1133 PolarHBondContact NE-OE1 2.82Å; R1106-E1133 IonicContact NH2-OE1 4Å; R1106-E1133 PolarHBondContact NH2-OE1 3.33Å; R1106-E1133 IonicContact NH2-OE2 3.96Å; R1106-E1133 PolarHBondContact NH2-OE2 3.23Å; V1110-E1133 HydrophobicContact CG2-CG 3.92Å; V1110-E1133 WeakPolarHBondContact CG2-OE1 3.47Å; A1129-E1133 WeakPolarHBondContact O-CB 3.13Å; A1129-E1133 PolarHBondContact O-N 2.91Å; M1131-E1133 VanDerWaalsContact C-N 3.34Å; M1131-E1133 PolarHBondContact O-N 3.39Å; E1133-M1136 PolarHBondContact O-N 2.81Å; E1133-L1137 HydrophobicContact CG-CD1 3.89Å; E1133-L1137 HydrophobicContact CG-CG 4.35Å; E1133-L1137 VanDerWaalsContact O-CG 3.25Å; E1133-L1137 WeakPolarHBondContact O-CG 3.31Å; E1133-L1137 PolarHBondContact O-N 3.3Å |
| 1134 | W | 85.8 | Confident | 82 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 31% | 0.307 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59 | -48.2 | 176.3 | 178.3 | -104.4 | 0 | 0 | 0 | 112.4 | A1107 V1110 E1111 M1130 M1131 M1136 L1137 V1138 | A1107-W1134 HydrophobicContact CB-CE3 4.3Å; A1107-W1134 HydrophobicContact CB-CZ3 3.75Å; A1107-W1134 WeakPolarHBondContact O-CZ3 3.48Å; V1110-W1134 HydrophobicContact CB-CE3 4.43Å; V1110-W1134 HydrophobicContact CG1-CB 3.81Å; V1110-W1134 HydrophobicContact CG1-CE3 4.18Å; E1111-W1134 HydrophobicContact CB-CE3 4.15Å; E1111-W1134 HydrophobicContact CB-CH2 4.05Å; E1111-W1134 HydrophobicContact CB-CZ3 3.6Å; E1111-W1134 HydrophobicContact CG-CH2 3.95Å; E1111-W1134 HydrophobicContact CG-CZ3 4.02Å; M1130-W1134 VanDerWaalsContact O-CB 3.31Å; M1130-W1134 WeakPolarHBondContact O-CB 3.28Å; M1130-W1134 PolarHBondContact O-N 2.77Å; M1131-W1134 WeakPolarHBondContact O-CB 3.44Å; M1131-W1134 PolarHBondContact O-N 2.85Å; M1131-W1134 VanDerWaalsContact O-N 3.15Å; W1134-M1136 PolarHBondContact O-N 3.32Å; W1134-L1137 PolarHBondContact O-N 3.2Å; W1134-V1138 HydrophobicContact CD2-CG2 4.36Å; W1134-V1138 HydrophobicContact CZ2-CG2 4.26Å; W1134-V1138 WeakPolarHBondContact O-CG2 3.49Å; W1134-V1138 PolarHBondContact O-N 2.73Å |
| 1135 | F | 77.4 | Confident | 82.5 | Confident | 107 Ų | 107 | 64.7 Ų | 64.7 | 47% | 0.469 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 177.2 | -74.5 | -64.2 | 0 | 0 | 0 | 112.4 | M1131 Q1132 L1137 V1138 N1139 | M1131-F1135 HydrophobicContact CB-CE2 4.42Å; M1131-F1135 WeakPolarHBondContact O-CD2 3.45Å; M1131-F1135 PolarHBondContact O-N 3.27Å; Q1132-F1135 PolarHBondContact O-N 3.42Å; F1135-L1137 VanDerWaalsContact C-N 3.34Å; F1135-L1137 PolarHBondContact O-N 2.84Å; F1135-V1138 PolarHBondContact O-N 2.75Å; F1135-N1139 WeakPolarHBondContact O-CB 3.43Å; F1135-N1139 PolarHBondContact O-N 3.33Å |
| 1136 | M | 79.9 | Confident | 82.5 | Confident | 126 Ų | 126 | 60.4 Ų | 60.4 | 62% | 0.621 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.9 | -39.8 | 174.4 | -73.2 | -170.6 | -70.7 | 0 | 0 | 112.5 | Q1132 E1133 W1134 K1140 | Q1132-M1136 WeakPolarHBondContact O-CG 3.48Å; Q1132-M1136 PolarHBondContact O-N 3.34Å; Q1132-M1136 VanDerWaalsContact O-N 3.08Å; E1133-M1136 PolarHBondContact O-N 2.81Å; W1134-M1136 PolarHBondContact O-N 3.32Å; M1136-K1140 VanDerWaalsContact O-CB 3.25Å; M1136-K1140 WeakPolarHBondContact O-CB 3.34Å; M1136-K1140 PolarHBondContact O-N 2.89Å |
| 1137 | L | 86.9 | Confident | 82.5 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.9 | -37.7 | 178.1 | -68.5 | 169.3 | 0 | 0 | 0 | 112.5 | I1103 R1106 A1107 V1110 E1133 W1134 F1135 K1141 | I1103-L1137 HydrophobicContact CD1-CD2 3.64Å; I1103-L1137 HydrophobicContact CG2-CB 4.41Å; I1103-L1137 HydrophobicContact CG2-CD2 4.21Å; R1106-L1137 HydrophobicContact CB-CD1 4.3Å; R1106-L1137 HydrophobicContact CB-CD2 4.37Å; R1106-L1137 HydrophobicContact CG-CD1 3.9Å; R1106-L1137 HydrophobicContact CG-CD2 4.26Å; A1107-L1137 HydrophobicContact CB-CD1 4.37Å; V1110-L1137 HydrophobicContact CB-CD1 4.38Å; V1110-L1137 HydrophobicContact CG2-CD1 3.79Å; E1133-L1137 HydrophobicContact CG-CD1 3.89Å; E1133-L1137 HydrophobicContact CG-CG 4.35Å; E1133-L1137 VanDerWaalsContact O-CG 3.25Å; E1133-L1137 WeakPolarHBondContact O-CG 3.31Å; E1133-L1137 PolarHBondContact O-N 3.3Å; W1134-L1137 PolarHBondContact O-N 3.2Å; F1135-L1137 VanDerWaalsContact C-N 3.34Å; F1135-L1137 PolarHBondContact O-N 2.84Å; L1137-K1141 VanDerWaalsContact O-CB 3.31Å; L1137-K1141 WeakPolarHBondContact O-CB 3.4Å; L1137-K1141 PolarHBondContact O-N 3.44Å |
| 1138 | V | 84.1 | Confident | 82.6 | Confident | 49 Ų | 49 | 62.9 Ų | 62.9 | 30% | 0.297 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.6 | -50 | 173.9 | 171 | 0 | 0 | 0 | 0 | 110.8 | W1134 F1135 K1140 K1141 N1142 | W1134-V1138 HydrophobicContact CD2-CG2 4.36Å; W1134-V1138 HydrophobicContact CZ2-CG2 4.26Å; W1134-V1138 WeakPolarHBondContact O-CG2 3.49Å; W1134-V1138 PolarHBondContact O-N 2.73Å; F1135-V1138 PolarHBondContact O-N 2.75Å; V1138-K1140 VanDerWaalsContact C-N 3.33Å; V1138-K1140 PolarHBondContact O-N 2.75Å; V1138-K1141 WeakPolarHBondContact O-CB 3.44Å; V1138-K1141 PolarHBondContact O-N 2.61Å; V1138-K1141 VanDerWaalsContact O-N 3.15Å; V1138-N1142 PolarHBondContact O-N 3.07Å; V1138-N1142 PolarHBondContact O-OD1 3.33Å |
| 1139 | N | 79.9 | Confident | 82.8 | Confident | 107 Ų | 107 | 64.9 Ų | 64.9 | 57% | 0.572 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.5 | -42.2 | 178.6 | -71 | 1.2 | 0 | 0 | 0 | 111.5 | F1135 N1142 A1143 | F1135-N1139 WeakPolarHBondContact O-CB 3.43Å; F1135-N1139 PolarHBondContact O-N 3.33Å; N1139-N1142 PolarHBondContact O-N 3.48Å; N1139-A1143 PolarHBondContact O-N 2.95Å |
| 1140 | K | 84.4 | Confident | 82.8 | Confident | 89 Ų | 89 | 66.5 Ų | 66.5 | 39% | 0.387 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 175.1 | -179.2 | 156.6 | 177.7 | 165.3 | 0 | 112.5 | E1099 I1103 M1136 V1138 A1143 L1144 | E1099-K1140 WeakPolarHBondContact OE1-CE 3.45Å; E1099-K1140 IonicContact OE1-NZ 3.1Å; E1099-K1140 PolarHBondContact OE1-NZ 3.37Å; I1103-K1140 HydrophobicContact CD1-CD 3.73Å; I1103-K1140 HydrophobicContact CD1-CG 3.96Å; I1103-K1140 HydrophobicContact CG1-CD 4.48Å; I1103-K1140 HydrophobicContact CG1-CG 4.34Å; M1136-K1140 VanDerWaalsContact O-CB 3.25Å; M1136-K1140 WeakPolarHBondContact O-CB 3.34Å; M1136-K1140 PolarHBondContact O-N 2.89Å; V1138-K1140 VanDerWaalsContact C-N 3.33Å; V1138-K1140 PolarHBondContact O-N 2.75Å; K1140-A1143 PolarHBondContact O-N 3.14Å; K1140-L1144 HydrophobicContact CG-CD1 4.2Å; K1140-L1144 HydrophobicContact CG-CG 4.49Å; K1140-L1144 VanDerWaalsContact O-CG 3.28Å; K1140-L1144 WeakPolarHBondContact O-CG 3.42Å; K1140-L1144 PolarHBondContact O-N 2.86Å |
| 1141 | K | 85.2 | Confident | 82.8 | Confident | 64 Ų | 64 | 65 Ų | 65 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 173.5 | 179.4 | 167.5 | -176.5 | 159.9 | 0 | 111.6 | I1103 D1104 L1137 V1138 L1144 I1145 | I1103-K1141 HydrophobicContact CG2-CB 4.06Å; D1104-K1141 WeakPolarHBondContact OD1-CD 3.09Å; D1104-K1141 WeakPolarHBondContact OD1-CE 3.25Å; D1104-K1141 IonicContact OD1-NZ 2.77Å; D1104-K1141 PolarHBondContact OD1-NZ 3.3Å; D1104-K1141 IonicContact OD2-NZ 3.67Å; D1104-K1141 PolarHBondContact OD2-NZ 3.28Å; L1137-K1141 VanDerWaalsContact O-CB 3.31Å; L1137-K1141 WeakPolarHBondContact O-CB 3.4Å; L1137-K1141 PolarHBondContact O-N 3.44Å; V1138-K1141 WeakPolarHBondContact O-CB 3.44Å; V1138-K1141 PolarHBondContact O-N 2.61Å; V1138-K1141 VanDerWaalsContact O-N 3.15Å; K1141-L1144 PolarHBondContact O-N 3.38Å; K1141-I1145 HydrophobicContact CG-CD1 3.83Å; K1141-I1145 HydrophobicContact CG-CG1 4.47Å; K1141-I1145 VanDerWaalsContact O-CG1 3.31Å; K1141-I1145 WeakPolarHBondContact O-CG1 3.28Å; K1141-I1145 PolarHBondContact O-N 3.15Å |
| 1142 | N | 81.1 | Confident | 83 | Confident | 76 Ų | 76 | 65.2 Ų | 65.2 | 41% | 0.406 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 179 | -66.3 | -2.9 | 0 | 0 | 0 | 111.5 | V1138 N1139 L1144 I1145 R1146 | V1138-N1142 PolarHBondContact O-N 3.07Å; V1138-N1142 PolarHBondContact O-OD1 3.33Å; N1139-N1142 PolarHBondContact O-N 3.48Å; N1142-L1144 PolarHBondContact O-N 2.85Å; N1142-I1145 PolarHBondContact O-N 3.33Å; N1142-R1146 WeakPolarHBondContact O-CG 3.08Å; N1142-R1146 PolarHBondContact O-N 2.9Å |
| 1143 | A | 81.3 | Confident | 83.2 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 46% | 0.463 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1139 K1140 I1145 R1146 R1147 | N1139-A1143 PolarHBondContact O-N 2.95Å; K1140-A1143 PolarHBondContact O-N 3.14Å; A1143-I1145 PolarHBondContact O-N 2.82Å; A1143-R1146 PolarHBondContact O-N 3.04Å; A1143-R1147 PolarHBondContact O-N 2.7Å |
| 1144 | L | 84.5 | Confident | 83 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 175.4 | -71.3 | 170 | 0 | 0 | 0 | 112.1 | L1096 E1099 I1103 K1140 K1141 N1142 R1147 Q1148 | L1096-L1144 HydrophobicContact CD2-CD2 3.43Å; L1096-L1144 VanDerWaalsContact CD2-CD2 3.43Å; E1099-L1144 HydrophobicContact CB-CD1 4.37Å; E1099-L1144 HydrophobicContact CB-CD2 4.43Å; E1099-L1144 HydrophobicContact CG-CD1 4.01Å; E1099-L1144 HydrophobicContact CG-CD2 4.4Å; I1103-L1144 HydrophobicContact CG1-CD1 3.9Å; K1140-L1144 HydrophobicContact CG-CD1 4.2Å; K1140-L1144 HydrophobicContact CG-CG 4.49Å; K1140-L1144 VanDerWaalsContact O-CG 3.28Å; K1140-L1144 WeakPolarHBondContact O-CG 3.42Å; K1140-L1144 PolarHBondContact O-N 2.86Å; K1141-L1144 PolarHBondContact O-N 3.38Å; N1142-L1144 PolarHBondContact O-N 2.85Å; L1144-R1147 PolarHBondContact O-N 3.4Å; L1144-Q1148 VanDerWaalsContact O-CB 3.26Å; L1144-Q1148 WeakPolarHBondContact O-CB 3.37Å; L1144-Q1148 PolarHBondContact O-N 3.38Å |
| 1145 | I | 82.8 | Confident | 83 | Confident | 58 Ų | 58 | 64 Ų | 64 | 30% | 0.297 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 176.8 | -69.7 | 164.5 | 0 | 0 | 0 | 110.9 | K1141 N1142 A1143 R1147 Q1148 N1149 | K1141-I1145 HydrophobicContact CG-CD1 3.83Å; K1141-I1145 HydrophobicContact CG-CG1 4.47Å; K1141-I1145 VanDerWaalsContact O-CG1 3.31Å; K1141-I1145 WeakPolarHBondContact O-CG1 3.28Å; K1141-I1145 PolarHBondContact O-N 3.15Å; N1142-I1145 PolarHBondContact O-N 3.33Å; A1143-I1145 PolarHBondContact O-N 2.82Å; I1145-R1147 PolarHBondContact O-N 3.11Å; I1145-Q1148 PolarHBondContact O-N 2.82Å; I1145-N1149 PolarHBondContact O-N 3.45Å |
| 1146 | R | 81.1 | Confident | 83.3 | Confident | 77 Ų | 77 | 63.1 Ų | 63.1 | 29% | 0.291 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 176.8 | -70.8 | 177.2 | -179.2 | 166.7 | -4.9 | 111.6 | N1142 A1143 N1149 Q1150 E1221 D1222 | N1142-R1146 WeakPolarHBondContact O-CG 3.08Å; N1142-R1146 PolarHBondContact O-N 2.9Å; A1143-R1146 PolarHBondContact O-N 3.04Å; R1146-N1149 PolarHBondContact O-N 3.19Å; R1146-Q1150 PolarHBondContact O-N 2.73Å; R1146-Q1150 VanDerWaalsContact O-N 3.12Å; R1146-E1221 IonicContact NH2-OE2 3.78Å; R1146-E1221 PolarHBondContact NH2-OE2 2.87Å; R1146-D1222 IonicContact CZ-OD1 3.7Å; R1146-D1222 VanDerWaalsContact CZ-OD1 3.23Å; R1146-D1222 IonicContact CZ-OD2 3.16Å; R1146-D1222 IonicContact NH1-OD1 2.67Å; R1146-D1222 PolarHBondContact NH1-OD1 3.45Å; R1146-D1222 IonicContact NH1-OD2 2.74Å; R1146-D1222 PolarHBondContact NH1-OD2 2.89Å; R1146-D1222 IonicContact NH2-OD1 2.77Å; R1146-D1222 PolarHBondContact NH2-OD1 2.88Å; R1146-D1222 IonicContact NH2-OD2 3.65Å |
| 1147 | R | 84.6 | Confident | 83.6 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 176.2 | -173.5 | 62.5 | 178.4 | 172.4 | 0.9 | 112.7 | E1092 L1096 A1143 L1144 I1145 Q1150 L1151 | E1092-R1147 VanDerWaalsContact CD-NH2 3.25Å; E1092-R1147 IonicContact OE1-CZ 3.69Å; E1092-R1147 VanDerWaalsContact OE1-CZ 3.26Å; E1092-R1147 IonicContact OE1-NE 2.92Å; E1092-R1147 PolarHBondContact OE1-NE 3.21Å; E1092-R1147 IonicContact OE1-NH2 3.98Å; E1092-R1147 PolarHBondContact OE1-NH2 2.79Å; E1092-R1147 IonicContact OE2-CZ 3.89Å; E1092-R1147 IonicContact OE2-NE 2.77Å; E1092-R1147 IonicContact OE2-NH2 3.21Å; E1092-R1147 PolarHBondContact OE2-NH2 3.26Å; L1096-R1147 HydrophobicContact CD1-CB 4.27Å; L1096-R1147 HydrophobicContact CD1-CG 3.68Å; L1096-R1147 HydrophobicContact CD2-CG 4.23Å; A1143-R1147 PolarHBondContact O-N 2.7Å; L1144-R1147 PolarHBondContact O-N 3.4Å; I1145-R1147 PolarHBondContact O-N 3.11Å; R1147-Q1150 PolarHBondContact O-N 2.72Å; R1147-L1151 HydrophobicContact CG-CD1 4.03Å; R1147-L1151 WeakPolarHBondContact O-CD1 3.22Å; R1147-L1151 PolarHBondContact O-N 2.92Å; R1147-L1151 VanDerWaalsContact O-N 3.09Å |
| 1148 | Q | 84.1 | Confident | 83.5 | Confident | 35 Ų | 35 | 60 Ų | 60 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 176.8 | -168.4 | 175.8 | 17.4 | 0 | 0 | 112 | L1093 L1144 I1145 S1152 | L1093-Q1148 HydrophobicContact CD2-CG 3.84Å; L1144-Q1148 VanDerWaalsContact O-CB 3.26Å; L1144-Q1148 WeakPolarHBondContact O-CB 3.37Å; L1144-Q1148 PolarHBondContact O-N 3.38Å; I1145-Q1148 PolarHBondContact O-N 2.82Å; Q1148-S1152 VanDerWaalsContact O-CB 3.25Å; Q1148-S1152 WeakPolarHBondContact O-CB 3.24Å; Q1148-S1152 PolarHBondContact O-N 2.98Å |
| 1149 | N | 83.3 | Confident | 83.6 | Confident | 82 Ų | 82 | 60.5 Ų | 60.5 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 173.1 | -73.1 | -5.5 | 0 | 0 | 0 | 111.5 | I1145 R1146 L1151 S1152 L1153 | I1145-N1149 PolarHBondContact O-N 3.45Å; R1146-N1149 PolarHBondContact O-N 3.19Å; N1149-L1151 VanDerWaalsContact C-N 3.35Å; N1149-L1151 PolarHBondContact O-N 2.87Å; N1149-S1152 PolarHBondContact O-N 3.12Å; N1149-L1153 PolarHBondContact O-N 2.95Å |
| 1150 | Q | 82.9 | Confident | 84 | Confident | 85 Ų | 85 | 56.2 Ų | 56.2 | 40% | 0.397 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.5 | -45.2 | 178 | -170.2 | -179.8 | 43.1 | 0 | 0 | 112 | R1146 R1147 L1153 L1154 | R1146-Q1150 PolarHBondContact O-N 2.73Å; R1146-Q1150 VanDerWaalsContact O-N 3.12Å; R1147-Q1150 PolarHBondContact O-N 2.72Å; Q1150-L1153 PolarHBondContact O-N 2.8Å; Q1150-L1154 PolarHBondContact O-N 3.48Å; Q1150-L1154 VanDerWaalsContact O-N 3.13Å |
| 1151 | L | 85.6 | Confident | 84 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.8 | -38.3 | 179.4 | -69.7 | 158.4 | 0 | 0 | 0 | 112.9 | V1089 E1092 L1093 L1096 R1147 N1149 L1153 L1154 E1155 | V1089-L1151 HydrophobicContact CB-CD2 4.48Å; V1089-L1151 HydrophobicContact CG1-CB 4.26Å; V1089-L1151 HydrophobicContact CG1-CD2 4.26Å; V1089-L1151 VanDerWaalsContact CG1-O 3.28Å; V1089-L1151 WeakPolarHBondContact CG1-O 3.32Å; V1089-L1151 HydrophobicContact CG2-CD2 4.19Å; E1092-L1151 HydrophobicContact CB-CD1 3.93Å; E1092-L1151 HydrophobicContact CB-CD2 4.33Å; E1092-L1151 VanDerWaalsContact CD-CD1 3.48Å; E1092-L1151 HydrophobicContact CG-CD1 3.72Å; E1092-L1151 WeakPolarHBondContact OE2-CD2 3.37Å; L1093-L1151 HydrophobicContact CD1-CB 4.37Å; L1093-L1151 HydrophobicContact CD2-CB 3.64Å; L1093-L1151 HydrophobicContact CG-CB 3.77Å; L1096-L1151 HydrophobicContact CD1-CD1 3.25Å; R1147-L1151 HydrophobicContact CG-CD1 4.03Å; R1147-L1151 WeakPolarHBondContact O-CD1 3.22Å; R1147-L1151 PolarHBondContact O-N 2.92Å; R1147-L1151 VanDerWaalsContact O-N 3.09Å; N1149-L1151 VanDerWaalsContact C-N 3.35Å; N1149-L1151 PolarHBondContact O-N 2.87Å; L1151-L1153 PolarHBondContact O-N 2.99Å; L1151-L1154 HydrophobicContact CD2-CD1 4.35Å; L1151-L1154 PolarHBondContact O-N 3.29Å; L1151-L1154 VanDerWaalsContact O-N 3.17Å; L1151-E1155 PolarHBondContact O-N 3.24Å |
| 1152 | S | 84 | Confident | 84.2 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 23% | 0.231 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.4 | -22 | 173.5 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | Q1148 N1149 K1156 | Q1148-S1152 VanDerWaalsContact O-CB 3.25Å; Q1148-S1152 WeakPolarHBondContact O-CB 3.24Å; Q1148-S1152 PolarHBondContact O-N 2.98Å; N1149-S1152 PolarHBondContact O-N 3.12Å; S1152-K1156 VanDerWaalsContact O-CG 3.25Å; S1152-K1156 WeakPolarHBondContact O-CG 3.34Å; S1152-K1156 PolarHBondContact O-N 3.25Å; S1152-K1156 PolarHBondContact O-NZ 3.37Å; S1152-K1156 PolarHBondContact OG-NZ 3.31Å |
| 1153 | L | 81.8 | Confident | 84.7 | Confident | 30 Ų | 30 | 59.5 Ų | 59.5 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -76.4 | -46.8 | 168.9 | 171.9 | 124.3 | 0 | 0 | 0 | 111.6 | N1149 Q1150 L1151 E1155 K1156 E1157 L1207 L1211 | N1149-L1153 PolarHBondContact O-N 2.95Å; Q1150-L1153 PolarHBondContact O-N 2.8Å; L1151-L1153 PolarHBondContact O-N 2.99Å; L1153-E1155 PolarHBondContact O-N 2.86Å; L1153-K1156 CarbonylContact O-C 3.56Å; L1153-K1156 WeakPolarHBondContact O-CA 3.37Å; L1153-K1156 WeakPolarHBondContact O-CB 3.39Å; L1153-K1156 PolarHBondContact O-N 3.11Å; L1153-E1157 PolarHBondContact O-N 2.9Å; L1153-L1207 HydrophobicContact CD1-CB 4.41Å; L1153-L1211 HydrophobicContact CD1-CB 3.78Å; L1153-L1211 HydrophobicContact CD1-CD1 4.04Å; L1153-L1211 HydrophobicContact CD1-CG 3.72Å; L1153-L1211 HydrophobicContact CD2-CD1 3.41Å; L1153-L1211 VanDerWaalsContact CD2-CD1 3.41Å; L1153-L1211 HydrophobicContact CD2-CG 3.8Å; L1153-L1211 HydrophobicContact CG-CD1 4.35Å; L1153-L1211 HydrophobicContact CG-CG 4.37Å |
| 1154 | L | 82.8 | Confident | 85.2 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 36% | 0.361 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.9 | -34.4 | 175.6 | -69.7 | 169.3 | 0 | 0 | 0 | 112.4 | V1089 Q1150 L1151 H1158 | V1089-L1154 HydrophobicContact CG1-CB 4.32Å; V1089-L1154 HydrophobicContact CG2-CB 4.01Å; V1089-L1154 HydrophobicContact CG2-CD1 4.36Å; Q1150-L1154 PolarHBondContact O-N 3.48Å; Q1150-L1154 VanDerWaalsContact O-N 3.13Å; L1151-L1154 HydrophobicContact CD2-CD1 4.35Å; L1151-L1154 PolarHBondContact O-N 3.29Å; L1151-L1154 VanDerWaalsContact O-N 3.17Å; L1154-H1158 PolarHBondContact O-N 2.71Å |
| 1155 | E | 84.6 | Confident | 85.5 | Confident | 90 Ų | 90 | 63.1 Ų | 63.1 | 42% | 0.421 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 170.5 | -178.2 | -179.3 | -141.3 | 0 | 0 | 112.4 | V1089 L1151 L1153 D1159 | V1089-E1155 HydrophobicContact CG1-CB 4.1Å; L1151-E1155 PolarHBondContact O-N 3.24Å; L1153-E1155 PolarHBondContact O-N 2.86Å; E1155-D1159 WeakPolarHBondContact O-CB 3.23Å; E1155-D1159 PolarHBondContact O-N 3.16Å |
| 1156 | K | 85.4 | Confident | 85.9 | Confident | 88 Ų | 88 | 65.9 Ų | 65.9 | 38% | 0.383 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 178.1 | -68.9 | 172.9 | -163.1 | 91.2 | 0 | 112.3 | S1152 L1153 D1159 L1160 L1207 | S1152-K1156 VanDerWaalsContact O-CG 3.25Å; S1152-K1156 WeakPolarHBondContact O-CG 3.34Å; S1152-K1156 PolarHBondContact O-N 3.25Å; S1152-K1156 PolarHBondContact O-NZ 3.37Å; S1152-K1156 PolarHBondContact OG-NZ 3.31Å; L1153-K1156 CarbonylContact O-C 3.56Å; L1153-K1156 WeakPolarHBondContact O-CA 3.37Å; L1153-K1156 WeakPolarHBondContact O-CB 3.39Å; L1153-K1156 PolarHBondContact O-N 3.11Å; K1156-D1159 PolarHBondContact O-N 3.23Å; K1156-L1160 WeakPolarHBondContact O-CG 3.26Å; K1156-L1160 PolarHBondContact O-N 3.16Å; K1156-L1207 HydrophobicContact CB-CD1 3.77Å; K1156-L1207 HydrophobicContact CD-CD2 4.19Å |
| 1157 | E | 84.7 | Confident | 86.5 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 25% | 0.248 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.2 | -51.3 | 174.8 | 179.9 | 160.4 | -140.8 | 0 | 0 | 110.3 | L1153 D1159 L1160 E1161 | L1153-E1157 PolarHBondContact O-N 2.9Å; E1157-D1159 VanDerWaalsContact C-N 3.32Å; E1157-D1159 PolarHBondContact O-N 2.79Å; E1157-L1160 CarbonylContact O-C 3.59Å; E1157-L1160 WeakPolarHBondContact O-CA 3.15Å; E1157-L1160 WeakPolarHBondContact O-CB 3.36Å; E1157-L1160 PolarHBondContact O-N 3.03Å; E1157-E1161 HydrophobicContact CG-CG 4.35Å; E1157-E1161 WeakPolarHBondContact O-CG 3.33Å; E1157-E1161 PolarHBondContact O-N 2.73Å |
| 1158 | H | 84.6 | Confident | 86.9 | Confident | 19 Ų | 19 | 61 Ų | 61 | 9% | 0.088 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.3 | -32.1 | 178.6 | -175.7 | -164.5 | 0 | 0 | 0 | 112.8 | F1082 S1086 L1154 E1161 R1162 | F1082-H1158 AromaticContact CD1-CD2 4Å; F1082-H1158 AromaticContact CD1-NE2 4Å; F1082-H1158 PolarHBondContact O-CE1 3.38Å; S1086-H1158 VanDerWaalsContact CB-CE1 3.44Å; S1086-H1158 WeakPolarHBondContact CB-CE1 3.29Å; S1086-H1158 WeakPolarHBondContact CB-ND1 3.38Å; S1086-H1158 PolarHBondContact OG-CE1 2.99Å; S1086-H1158 PolarHBondContact OG-ND1 3.09Å; S1086-H1158 VanDerWaalsContact OG-ND1 3.11Å; L1154-H1158 PolarHBondContact O-N 2.71Å; H1158-E1161 PolarHBondContact O-N 2.64Å; H1158-R1162 PolarHBondContact CE1-NH2 2.69Å; H1158-R1162 PolarHBondContact ND1-NH2 3.35Å; H1158-R1162 PolarHBondContact NE2-NH2 3.03Å; H1158-R1162 VanDerWaalsContact NE2-NH2 3.16Å; H1158-R1162 VanDerWaalsContact O-CB 3.3Å; H1158-R1162 WeakPolarHBondContact O-CB 3.48Å; H1158-R1162 PolarHBondContact O-N 3.36Å |
| 1159 | D | 86.4 | Confident | 87.3 | Confident | 61 Ų | 61 | 66.3 Ų | 66.3 | 33% | 0.326 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 170 | 176.6 | 44.5 | 0 | 0 | 0 | 112.1 | E1155 K1156 E1157 R1163 | E1155-D1159 WeakPolarHBondContact O-CB 3.23Å; E1155-D1159 PolarHBondContact O-N 3.16Å; K1156-D1159 PolarHBondContact O-N 3.23Å; E1157-D1159 VanDerWaalsContact C-N 3.32Å; E1157-D1159 PolarHBondContact O-N 2.79Å; D1159-R1163 VanDerWaalsContact CG-NH2 3.3Å; D1159-R1163 WeakPolarHBondContact O-CD 3.38Å; D1159-R1163 WeakPolarHBondContact O-CG 3.18Å; D1159-R1163 PolarHBondContact O-N 2.89Å; D1159-R1163 VanDerWaalsContact O-N 3.07Å; D1159-R1163 IonicContact OD1-CZ 2.73Å; D1159-R1163 IonicContact OD1-NE 3.14Å; D1159-R1163 PolarHBondContact OD1-NE 3.2Å; D1159-R1163 IonicContact OD1-NH2 3.8Å; D1159-R1163 PolarHBondContact OD1-NH2 3.01Å; D1159-R1163 VanDerWaalsContact OD1-NH2 3.11Å; D1159-R1163 IonicContact OD2-CZ 2.87Å; D1159-R1163 IonicContact OD2-NE 2.69Å; D1159-R1163 PolarHBondContact OD2-NE 3.44Å; D1159-R1163 VanDerWaalsContact OD2-NE 3.14Å; D1159-R1163 IonicContact OD2-NH2 2.61Å; D1159-R1163 PolarHBondContact OD2-NH2 3.24Å |
| 1160 | L | 88.1 | Confident | 87.8 | Confident | 17 Ų | 17 | 65.7 Ų | 65.7 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -40.5 | 172.6 | -69.4 | 179.7 | 0 | 0 | 0 | 112.7 | K1156 E1157 R1163 F1164 L1200 K1203 R1204 L1207 | K1156-L1160 WeakPolarHBondContact O-CG 3.26Å; K1156-L1160 PolarHBondContact O-N 3.16Å; E1157-L1160 CarbonylContact O-C 3.59Å; E1157-L1160 WeakPolarHBondContact O-CA 3.15Å; E1157-L1160 WeakPolarHBondContact O-CB 3.36Å; E1157-L1160 PolarHBondContact O-N 3.03Å; L1160-R1163 PolarHBondContact O-N 3.22Å; L1160-F1164 VanDerWaalsContact O-CB 3.3Å; L1160-F1164 WeakPolarHBondContact O-CB 3.29Å; L1160-F1164 PolarHBondContact O-N 3Å; L1160-L1200 HydrophobicContact CD2-CD2 3.71Å; L1160-K1203 HydrophobicContact CD1-CB 3.89Å; L1160-K1203 HydrophobicContact CD2-CB 3.98Å; L1160-K1203 HydrophobicContact CD2-CD 4.24Å; L1160-R1204 HydrophobicContact CD1-CB 3.91Å; L1160-R1204 HydrophobicContact CD1-CG 4.49Å; L1160-L1207 HydrophobicContact CD1-CD1 3.64Å |
| 1161 | E | 86.1 | Confident | 88.3 | Confident | 59 Ų | 59 | 62 Ų | 62 | 28% | 0.276 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 177.4 | -70.5 | -172.9 | 128.5 | 0 | 0 | 112.1 | F1082 E1157 H1158 F1164 E1165 R1204 | F1082-E1161 WeakPolarHBondContact CE1-OE2 3.46Å; E1157-E1161 HydrophobicContact CG-CG 4.35Å; E1157-E1161 WeakPolarHBondContact O-CG 3.33Å; E1157-E1161 PolarHBondContact O-N 2.73Å; H1158-E1161 PolarHBondContact O-N 2.64Å; E1161-F1164 CarbonylContact O-C 3.56Å; E1161-F1164 WeakPolarHBondContact O-CB 3.21Å; E1161-F1164 PolarHBondContact O-N 3.03Å; E1161-E1165 PolarHBondContact O-N 3.41Å; E1161-R1204 IonicContact OE1-NH1 2.74Å |
| 1162 | R | 88.9 | Confident | 88.7 | Confident | 113 Ų | 113 | 69.7 Ų | 69.7 | 43% | 0.426 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 175.4 | -171.2 | 179.3 | -56.8 | 158.5 | 11.3 | 111.9 | S1086 H1158 F1164 L1166 | S1086-R1162 PolarHBondContact OG-NH2 3.5Å; H1158-R1162 PolarHBondContact CE1-NH2 2.69Å; H1158-R1162 PolarHBondContact ND1-NH2 3.35Å; H1158-R1162 PolarHBondContact NE2-NH2 3.03Å; H1158-R1162 VanDerWaalsContact NE2-NH2 3.16Å; H1158-R1162 VanDerWaalsContact O-CB 3.3Å; H1158-R1162 WeakPolarHBondContact O-CB 3.48Å; H1158-R1162 PolarHBondContact O-N 3.36Å; R1162-F1164 VanDerWaalsContact C-N 3.35Å; R1162-L1166 VanDerWaalsContact O-CG 3.32Å; R1162-L1166 WeakPolarHBondContact O-CG 3.43Å; R1162-L1166 PolarHBondContact O-N 3.47Å; R1162-L1166 VanDerWaalsContact O-N 3.15Å |
| 1163 | R | 90.4 | Very high | 89.1 | Confident | 125 Ų | 125 | 71.2 Ų | 71.2 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 172.3 | -68.5 | 165 | -166.6 | -134.1 | 11.3 | 110.9 | D1159 L1160 L1167 L1200 | D1159-R1163 VanDerWaalsContact CG-NH2 3.3Å; D1159-R1163 WeakPolarHBondContact O-CD 3.38Å; D1159-R1163 WeakPolarHBondContact O-CG 3.18Å; D1159-R1163 PolarHBondContact O-N 2.89Å; D1159-R1163 VanDerWaalsContact O-N 3.07Å; D1159-R1163 IonicContact OD1-CZ 2.73Å; D1159-R1163 IonicContact OD1-NE 3.14Å; D1159-R1163 PolarHBondContact OD1-NE 3.2Å; D1159-R1163 IonicContact OD1-NH2 3.8Å; D1159-R1163 PolarHBondContact OD1-NH2 3.01Å; D1159-R1163 VanDerWaalsContact OD1-NH2 3.11Å; D1159-R1163 IonicContact OD2-CZ 2.87Å; D1159-R1163 IonicContact OD2-NE 2.69Å; D1159-R1163 PolarHBondContact OD2-NE 3.44Å; D1159-R1163 VanDerWaalsContact OD2-NE 3.14Å; D1159-R1163 IonicContact OD2-NH2 2.61Å; D1159-R1163 PolarHBondContact OD2-NH2 3.24Å; L1160-R1163 PolarHBondContact O-N 3.22Å; R1163-L1167 WeakPolarHBondContact O-CB 3.32Å; R1163-L1167 PolarHBondContact O-N 2.72Å; R1163-L1200 HydrophobicContact CB-CD1 3.79Å; R1163-L1200 HydrophobicContact CB-CD2 3.97Å |
| 1164 | F | 91.8 | Very high | 89.5 | Confident | 77 Ų | 77 | 70.7 Ų | 70.7 | 34% | 0.338 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 176.8 | 176.3 | -86.4 | 0 | 0 | 0 | 111.9 | L1160 E1161 R1162 L1167 N1168 L1197 L1200 V1201 | L1160-F1164 VanDerWaalsContact O-CB 3.3Å; L1160-F1164 WeakPolarHBondContact O-CB 3.29Å; L1160-F1164 PolarHBondContact O-N 3Å; E1161-F1164 CarbonylContact O-C 3.56Å; E1161-F1164 WeakPolarHBondContact O-CB 3.21Å; E1161-F1164 PolarHBondContact O-N 3.03Å; R1162-F1164 VanDerWaalsContact C-N 3.35Å; F1164-L1167 PolarHBondContact O-N 2.93Å; F1164-N1168 WeakPolarHBondContact O-CB 3.43Å; F1164-N1168 PolarHBondContact O-N 3.26Å; F1164-L1197 HydrophobicContact CD2-CD1 3.46Å; F1164-L1197 VanDerWaalsContact CD2-CD1 3.46Å; F1164-L1197 HydrophobicContact CD2-CG 4.35Å; F1164-L1197 HydrophobicContact CE2-CD1 3.57Å; F1164-L1197 HydrophobicContact CE2-CG 4.15Å; F1164-L1197 HydrophobicContact CG-CD1 4.3Å; F1164-L1197 HydrophobicContact CZ-CD1 4.47Å; F1164-L1200 HydrophobicContact CB-CD1 4.49Å; F1164-V1201 HydrophobicContact CD2-CG2 4.31Å; F1164-V1201 HydrophobicContact CE2-CG2 4.06Å |
| 1165 | E | 92 | Very high | 89.9 | Confident | 67 Ų | 67 | 71.8 Ų | 71.8 | 31% | 0.313 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 176.3 | -173.2 | -176.6 | 175.7 | 0 | 0 | 111.1 | Q1079 E1161 R1169 | Q1079-E1165 PolarHBondContact NE2-OE1 3.34Å; E1161-E1165 PolarHBondContact O-N 3.41Å; E1165-R1169 VanDerWaalsContact O-CB 3.24Å; E1165-R1169 WeakPolarHBondContact O-CB 3.49Å; E1165-R1169 PolarHBondContact O-N 3.27Å |
| 1166 | L | 91.9 | Very high | 90.4 | Very high | 116 Ų | 116 | 71.5 Ų | 71.5 | 61% | 0.607 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.9 | -45.9 | 178.1 | -69.9 | 171.1 | 0 | 0 | 0 | 112.3 | R1162 R1169 E1170 | R1162-L1166 VanDerWaalsContact O-CG 3.32Å; R1162-L1166 WeakPolarHBondContact O-CG 3.43Å; R1162-L1166 PolarHBondContact O-N 3.47Å; R1162-L1166 VanDerWaalsContact O-N 3.15Å; L1166-R1169 PolarHBondContact O-N 3.04Å; L1166-E1170 PolarHBondContact O-N 3.19Å |
| 1167 | L | 93.1 | Very high | 90.7 | Very high | 27 Ų | 27 | 69.7 Ų | 69.7 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.3 | -42.1 | -178 | -168.1 | 74.9 | 0 | 0 | 0 | 112.1 | R1163 F1164 R1169 E1170 L1171 L1193 E1196 L1197 L1200 | R1163-L1167 WeakPolarHBondContact O-CB 3.32Å; R1163-L1167 PolarHBondContact O-N 2.72Å; F1164-L1167 PolarHBondContact O-N 2.93Å; L1167-R1169 VanDerWaalsContact C-N 3.31Å; L1167-R1169 PolarHBondContact O-N 3.13Å; L1167-E1170 PolarHBondContact O-N 3.43Å; L1167-L1171 VanDerWaalsContact O-CB 3.28Å; L1167-L1171 WeakPolarHBondContact O-CB 3.44Å; L1167-L1171 PolarHBondContact O-N 3.4Å; L1167-L1193 HydrophobicContact CD1-CD2 3.43Å; L1167-L1193 VanDerWaalsContact CD1-CD2 3.43Å; L1167-L1193 HydrophobicContact CG-CD2 4.42Å; L1167-E1196 HydrophobicContact CD1-CB 4.34Å; L1167-E1196 HydrophobicContact CD2-CB 3.74Å; L1167-L1197 HydrophobicContact CD2-CB 3.86Å; L1167-L1197 HydrophobicContact CD2-CD1 3.95Å; L1167-L1197 VanDerWaalsContact CD2-N 3.31Å; L1167-L1197 HydrophobicContact CG-CD1 4.44Å; L1167-L1200 HydrophobicContact CB-CD1 4.37Å; L1167-L1200 HydrophobicContact CD2-CD1 3.7Å |
| 1168 | N | 91.8 | Very high | 91.1 | Very high | 33 Ų | 33 | 72.6 Ų | 72.6 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.2 | -35.8 | 174.9 | -172.4 | 0.3 | 0 | 0 | 0 | 110.9 | F1164 R1172 L1197 | F1164-N1168 WeakPolarHBondContact O-CB 3.43Å; F1164-N1168 PolarHBondContact O-N 3.26Å; N1168-R1172 VanDerWaalsContact O-CB 3.31Å; N1168-R1172 WeakPolarHBondContact O-CB 3.23Å; N1168-R1172 WeakPolarHBondContact O-CD 3.24Å; N1168-R1172 WeakPolarHBondContact O-CG 3.36Å; N1168-R1172 PolarHBondContact O-N 3.47Å; N1168-R1172 PolarHBondContact OD1-NE 3.24Å; N1168-L1197 HydrophobicContact CB-CD1 4.42Å |
| 1169 | R | 94.1 | Very high | 91.4 | Very high | 146 Ų | 146 | 76.6 Ų | 76.6 | 55% | 0.551 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66 | -42.5 | 172.9 | 179.2 | 170.8 | 167.5 | 145.9 | -3.9 | 112.5 | E1075 E1165 L1166 L1167 A1173 | E1075-R1169 IonicContact OE1-CZ 2.75Å; E1075-R1169 IonicContact OE1-NH1 2.62Å; E1075-R1169 PolarHBondContact OE1-NH1 3Å; E1075-R1169 IonicContact OE2-NH1 2.77Å; E1165-R1169 VanDerWaalsContact O-CB 3.24Å; E1165-R1169 WeakPolarHBondContact O-CB 3.49Å; E1165-R1169 PolarHBondContact O-N 3.27Å; L1166-R1169 PolarHBondContact O-N 3.04Å; L1167-R1169 VanDerWaalsContact C-N 3.31Å; L1167-R1169 PolarHBondContact O-N 3.13Å; R1169-A1173 PolarHBondContact O-N 2.93Å |
| 1170 | E | 93 | Very high | 91.7 | Very high | 70 Ų | 70 | 83 Ų | 83 | 33% | 0.327 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 173.9 | -169.2 | 178.6 | 147.4 | 0 | 0 | 111.4 | L1166 L1167 R1172 A1173 M1174 R1189 L1193 | L1166-E1170 PolarHBondContact O-N 3.19Å; L1167-E1170 PolarHBondContact O-N 3.43Å; E1170-R1172 PolarHBondContact O-N 3.01Å; E1170-A1173 WeakPolarHBondContact O-CB 3.24Å; E1170-A1173 PolarHBondContact O-N 3.49Å; E1170-A1173 VanDerWaalsContact O-N 3.11Å; E1170-M1174 WeakPolarHBondContact O-CG 3.41Å; E1170-M1174 PolarHBondContact O-N 3.33Å; E1170-R1189 IonicContact OE1-CZ 2.65Å; E1170-R1189 IonicContact OE1-NE 2.67Å; E1170-R1189 PolarHBondContact OE1-NE 3.48Å; E1170-R1189 IonicContact OE1-NH2 2.64Å; E1170-R1189 PolarHBondContact OE1-NH2 3.1Å; E1170-R1189 IonicContact OE2-NH2 2.68Å; E1170-L1193 HydrophobicContact CB-CD1 4.43Å; E1170-L1193 HydrophobicContact CB-CD2 4.39Å; E1170-L1193 HydrophobicContact CG-CD1 3.86Å; E1170-L1193 HydrophobicContact CG-CD2 4.19Å |
| 1171 | L | 93.4 | Very high | 92 | Very high | 7 Ų | 7 | 87 Ų | 87 | 4% | 0.037 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 178 | 177.9 | 61.1 | 0 | 0 | 0 | 112.2 | L1167 A1173 M1174 L1175 E1190 L1193 L1194 L1197 | L1167-L1171 VanDerWaalsContact O-CB 3.28Å; L1167-L1171 WeakPolarHBondContact O-CB 3.44Å; L1167-L1171 PolarHBondContact O-N 3.4Å; L1171-A1173 VanDerWaalsContact C-N 3.33Å; L1171-A1173 PolarHBondContact O-N 3.45Å; L1171-M1174 WeakPolarHBondContact O-CB 3.37Å; L1171-M1174 PolarHBondContact O-N 3.23Å; L1171-L1175 HydrophobicContact CD1-CD1 4Å; L1171-L1175 HydrophobicContact CD1-CG 4.11Å; L1171-L1175 HydrophobicContact CD2-CD1 4.43Å; L1171-L1175 HydrophobicContact CG-CD1 3.8Å; L1171-L1175 HydrophobicContact CG-CG 4.36Å; L1171-L1175 WeakPolarHBondContact O-CB 3.43Å; L1171-L1175 WeakPolarHBondContact O-CG 3.27Å; L1171-L1175 PolarHBondContact O-N 3.47Å; L1171-E1190 HydrophobicContact CD1-CG 3.91Å; L1171-L1193 HydrophobicContact CB-CB 4.32Å; L1171-L1193 HydrophobicContact CD1-CB 4.11Å; L1171-L1194 HydrophobicContact CD1-CD2 4.22Å; L1171-L1194 HydrophobicContact CD1-CG 3.88Å; L1171-L1194 HydrophobicContact CD2-CD2 3.65Å; L1171-L1194 HydrophobicContact CD2-CG 4.09Å; L1171-L1197 HydrophobicContact CD2-CD2 3.88Å |
| 1172 | R | 93.9 | Very high | 92.4 | Very high | 164 Ų | 164 | 84.8 Ų | 84.8 | 62% | 0.619 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.6 | -38.9 | 173.4 | -76.4 | 168.4 | -177.1 | -161.2 | -7.6 | 112.5 | N1168 E1170 M1174 L1175 A1176 | N1168-R1172 VanDerWaalsContact O-CB 3.31Å; N1168-R1172 WeakPolarHBondContact O-CB 3.23Å; N1168-R1172 WeakPolarHBondContact O-CD 3.24Å; N1168-R1172 WeakPolarHBondContact O-CG 3.36Å; N1168-R1172 PolarHBondContact O-N 3.47Å; N1168-R1172 PolarHBondContact OD1-NE 3.24Å; E1170-R1172 PolarHBondContact O-N 3.01Å; R1172-M1174 VanDerWaalsContact C-N 3.29Å; R1172-M1174 PolarHBondContact O-N 3.4Å; R1172-L1175 PolarHBondContact O-N 3.05Å; R1172-A1176 WeakPolarHBondContact O-CB 3.46Å; R1172-A1176 PolarHBondContact O-N 3.26Å |
| 1173 | A | 93.5 | Very high | 92.7 | Very high | 64 Ų | 64 | 83 Ų | 83 | 53% | 0.529 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.7 | -29.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1169 E1170 L1171 | R1169-A1173 PolarHBondContact O-N 2.93Å; E1170-A1173 WeakPolarHBondContact O-CB 3.24Å; E1170-A1173 PolarHBondContact O-N 3.49Å; E1170-A1173 VanDerWaalsContact O-N 3.11Å; L1171-A1173 VanDerWaalsContact C-N 3.33Å; L1171-A1173 PolarHBondContact O-N 3.45Å |
| 1174 | M | 89.6 | Confident | 93 | Very high | 20 Ų | 20 | 81.9 Ų | 81.9 | 10% | 0.099 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -75.4 | -44.9 | 172.5 | -66 | -70.1 | -62.9 | 0 | 0 | 112.2 | E1170 L1171 R1172 A1176 I1177 K1182 Q1186 R1189 E1190 L1193 | E1170-M1174 WeakPolarHBondContact O-CG 3.41Å; E1170-M1174 PolarHBondContact O-N 3.33Å; L1171-M1174 WeakPolarHBondContact O-CB 3.37Å; L1171-M1174 PolarHBondContact O-N 3.23Å; R1172-M1174 VanDerWaalsContact C-N 3.29Å; R1172-M1174 PolarHBondContact O-N 3.4Å; M1174-A1176 VanDerWaalsContact C-N 3.25Å; M1174-A1176 PolarHBondContact O-N 2.84Å; M1174-I1177 PolarHBondContact O-N 2.89Å; M1174-K1182 WeakPolarHBondContact O-CE 3.32Å; M1174-Q1186 HydrophobicContact CE-CB 3.67Å; M1174-Q1186 HydrophobicContact CE-CG 4Å; M1174-Q1186 WeakPolarHBondContact CE-O 3.46Å; M1174-R1189 HydrophobicContact CE-CB 3.98Å; M1174-R1189 HydrophobicContact CE-CG 4.24Å; M1174-E1190 HydrophobicContact CB-CB 4.41Å; M1174-E1190 HydrophobicContact CB-CG 4.34Å; M1174-E1190 HydrophobicContact CE-CB 4.21Å; M1174-L1193 HydrophobicContact CG-CD1 3.8Å |
| 1175 | L | 90.7 | Very high | 93 | Very high | 92 Ų | 92 | 81.6 Ų | 81.6 | 48% | 0.482 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.5 | -20.3 | 178 | -74.3 | 168.8 | 0 | 0 | 0 | 113.9 | L1171 R1172 I1177 E1190 | L1171-L1175 HydrophobicContact CD1-CD1 4Å; L1171-L1175 HydrophobicContact CD1-CG 4.11Å; L1171-L1175 HydrophobicContact CD2-CD1 4.43Å; L1171-L1175 HydrophobicContact CG-CD1 3.8Å; L1171-L1175 HydrophobicContact CG-CG 4.36Å; L1171-L1175 WeakPolarHBondContact O-CB 3.43Å; L1171-L1175 WeakPolarHBondContact O-CG 3.27Å; L1171-L1175 PolarHBondContact O-N 3.47Å; R1172-L1175 PolarHBondContact O-N 3.05Å; L1175-I1177 PolarHBondContact O-N 2.88Å; L1175-E1190 HydrophobicContact CD2-CG 4.48Å; L1175-E1190 VanDerWaalsContact CD2-OE1 3.25Å; L1175-E1190 WeakPolarHBondContact CD2-OE1 3.38Å |
| 1176 | A | 94.4 | Very high | 93.1 | Very high | 84 Ų | 84 | 81.1 Ų | 81.1 | 69% | 0.694 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -10.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1172 M1174 | R1172-A1176 WeakPolarHBondContact O-CB 3.46Å; R1172-A1176 PolarHBondContact O-N 3.26Å; M1174-A1176 VanDerWaalsContact C-N 3.25Å; M1174-A1176 PolarHBondContact O-N 2.84Å |
| 1177 | I | 93.1 | Very high | 93.2 | Very high | 49 Ų | 49 | 79.3 Ų | 79.3 | 25% | 0.251 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -89.7 | 139.1 | 170.8 | -54.8 | 175 | 0 | 0 | 0 | 107.8 | M1174 L1175 Q1181 K1182 | M1174-I1177 PolarHBondContact O-N 2.89Å; L1175-I1177 PolarHBondContact O-N 2.88Å; I1177-Q1181 HydrophobicContact CG2-CB 3.82Å; I1177-K1182 HydrophobicContact CB-CG 4.13Å; I1177-K1182 HydrophobicContact CG2-CG 3.81Å; I1177-K1182 WeakPolarHBondContact O-CE 3.39Å |
| 1178 | E | 92.8 | Very high | 93.2 | Very high | 114 Ų | 114 | 85.8 Ų | 85.8 | 53% | 0.533 | 42% | 0.422 | S | S | . | . | trans | -76.3 | 143.8 | 178.5 | -60.5 | -171.3 | 156.2 | 0 | 0 | 112 | W1180 Q1181 K1182 | E1178-W1180 PolarHBondContact O-N 3.1Å; E1178-W1180 PolarHBondContact OE2-NE1 3.4Å; E1178-Q1181 HydrophobicContact CB-CG 4.36Å; E1178-Q1181 WeakPolarHBondContact O-CA 3.5Å; E1178-Q1181 WeakPolarHBondContact O-CB 3.39Å; E1178-Q1181 PolarHBondContact O-N 2.88Å; E1178-K1182 PolarHBondContact O-N 2.84Å; E1178-K1182 VanDerWaalsContact O-N 3.08Å | ||
| 1179 | D | 91.1 | Very high | 93.3 | Very high | 104 Ų | 104 | 90.7 Ų | 90.7 | 56% | 0.556 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.4 | -170 | -76 | -26.3 | 0 | 0 | 0 | 115.7 | K1182 K1187 | D1179-K1182 WeakPolarHBondContact OD1-CD 3.41Å; D1179-K1182 VanDerWaalsContact OD1-CE 3.25Å; D1179-K1182 WeakPolarHBondContact OD1-CE 3.5Å; D1179-K1182 IonicContact OD1-NZ 3.18Å; D1179-K1182 PolarHBondContact OD1-NZ 3.39Å; D1179-K1187 VanDerWaalsContact O-CE 3.27Å; D1179-K1187 WeakPolarHBondContact O-CE 3.45Å |
| 1180 | W | 92.8 | Very high | 93.3 | Very high | 195 Ų | 195 | 84.8 Ų | 84.8 | 74% | 0.739 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -21.4 | 175.4 | 66 | -90 | 0 | 0 | 0 | 113.1 | E1178 | E1178-W1180 PolarHBondContact O-N 3.1Å; E1178-W1180 PolarHBondContact OE2-NE1 3.4Å |
| 1181 | Q | 93.4 | Very high | 93.3 | Very high | 101 Ų | 101 | 86.3 Ų | 86.3 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -26.4 | 172.3 | -57.2 | 178.8 | -2.3 | 0 | 0 | 111.7 | I1177 E1178 T1183 | I1177-Q1181 HydrophobicContact CG2-CB 3.82Å; E1178-Q1181 HydrophobicContact CB-CG 4.36Å; E1178-Q1181 WeakPolarHBondContact O-CA 3.5Å; E1178-Q1181 WeakPolarHBondContact O-CB 3.39Å; E1178-Q1181 PolarHBondContact O-N 2.88Å; Q1181-T1183 PolarHBondContact O-N 3.28Å |
| 1182 | K | 95.1 | Very high | 93.4 | Very high | 12 Ų | 12 | 91.5 Ų | 91.5 | 5% | 0.052 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -64.2 | 122.3 | 177.5 | -64.9 | 179.5 | -165.2 | 169.5 | 0 | 111.2 | M1174 I1177 E1178 D1179 Q1186 K1187 E1190 | M1174-K1182 WeakPolarHBondContact O-CE 3.32Å; I1177-K1182 HydrophobicContact CB-CG 4.13Å; I1177-K1182 HydrophobicContact CG2-CG 3.81Å; I1177-K1182 WeakPolarHBondContact O-CE 3.39Å; E1178-K1182 PolarHBondContact O-N 2.84Å; E1178-K1182 VanDerWaalsContact O-N 3.08Å; D1179-K1182 WeakPolarHBondContact OD1-CD 3.41Å; D1179-K1182 VanDerWaalsContact OD1-CE 3.25Å; D1179-K1182 WeakPolarHBondContact OD1-CE 3.5Å; D1179-K1182 IonicContact OD1-NZ 3.18Å; D1179-K1182 PolarHBondContact OD1-NZ 3.39Å; K1182-Q1186 HydrophobicContact CB-CB 4.3Å; K1182-K1187 HydrophobicContact CB-CG 3.79Å; K1182-K1187 HydrophobicContact CD-CG 4.23Å; K1182-K1187 WeakPolarHBondContact O-CE 3.47Å; K1182-E1190 VanDerWaalsContact CD-OE2 3.25Å; K1182-E1190 WeakPolarHBondContact CD-OE2 3.45Å; K1182-E1190 WeakPolarHBondContact CE-OE2 3.33Å; K1182-E1190 IonicContact NZ-OE1 3.84Å; K1182-E1190 PolarHBondContact NZ-OE1 3.34Å; K1182-E1190 IonicContact NZ-OE2 2.59Å; K1182-E1190 PolarHBondContact NZ-OE2 3.47Å |
| 1183 | T | 95.6 | Very high | 93.4 | Very high | 76 Ų | 76 | 84.3 Ų | 84.3 | 47% | 0.466 | 43% | 0.425 | S | S | . | . | trans | -63.9 | 156.7 | 164.8 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | Q1181 A1185 Q1186 K1187 | Q1181-T1183 PolarHBondContact O-N 3.28Å; T1183-A1185 PolarHBondContact O-N 2.7Å; T1183-A1185 VanDerWaalsContact O-N 3.13Å; T1183-Q1186 WeakPolarHBondContact O-CA 3.4Å; T1183-Q1186 WeakPolarHBondContact O-CB 3.48Å; T1183-Q1186 PolarHBondContact O-N 2.95Å; T1183-Q1186 WeakPolarHBondContact OG1-CG 3.45Å; T1183-Q1186 PolarHBondContact OG1-N 2.96Å; T1183-Q1186 PolarHBondContact OG1-OE1 3.5Å; T1183-K1187 PolarHBondContact O-N 2.98Å | ||
| 1184 | E | 95 | Very high | 93.4 | Very high | 101 Ų | 101 | 84.3 Ų | 84.3 | 47% | 0.472 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58 | -26.5 | 174.2 | -72.2 | -60.4 | 117.4 | 0 | 0 | 113.6 | K1187 R1188 | E1184-K1187 WeakPolarHBondContact OE1-CD 3.39Å; E1184-K1187 IonicContact OE1-NZ 2.83Å; E1184-K1187 PolarHBondContact OE1-NZ 3.45Å; E1184-R1188 WeakPolarHBondContact O-CD 3.27Å; E1184-R1188 WeakPolarHBondContact O-CG 3.48Å; E1184-R1188 PolarHBondContact O-N 2.58Å; E1184-R1188 PolarHBondContact O-NE 3.39Å; E1184-R1188 IonicContact OE2-NH2 3.73Å |
| 1185 | A | 93.7 | Very high | 93.6 | Very high | 71 Ų | 71 | 86.6 Ų | 86.6 | 59% | 0.587 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -71.2 | -38.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1183 R1189 | T1183-A1185 PolarHBondContact O-N 2.7Å; T1183-A1185 VanDerWaalsContact O-N 3.13Å; A1185-R1189 PolarHBondContact O-N 3.21Å |
| 1186 | Q | 93.2 | Very high | 93.8 | Very high | 57 Ų | 57 | 86.6 Ų | 86.6 | 27% | 0.266 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.3 | -46 | 175.5 | -76.5 | 159.2 | -62.7 | 0 | 0 | 111.7 | M1174 K1182 T1183 R1188 R1189 E1190 | M1174-Q1186 HydrophobicContact CE-CB 3.67Å; M1174-Q1186 HydrophobicContact CE-CG 4Å; M1174-Q1186 WeakPolarHBondContact CE-O 3.46Å; K1182-Q1186 HydrophobicContact CB-CB 4.3Å; T1183-Q1186 WeakPolarHBondContact O-CA 3.4Å; T1183-Q1186 WeakPolarHBondContact O-CB 3.48Å; T1183-Q1186 PolarHBondContact O-N 2.95Å; T1183-Q1186 WeakPolarHBondContact OG1-CG 3.45Å; T1183-Q1186 PolarHBondContact OG1-N 2.96Å; T1183-Q1186 PolarHBondContact OG1-OE1 3.5Å; Q1186-R1188 VanDerWaalsContact C-N 3.28Å; Q1186-R1188 PolarHBondContact O-N 3.33Å; Q1186-R1189 WeakPolarHBondContact O-CB 3.48Å; Q1186-R1189 PolarHBondContact O-N 2.76Å; Q1186-R1189 VanDerWaalsContact O-N 3.07Å; Q1186-E1190 WeakPolarHBondContact O-CB 3.46Å; Q1186-E1190 PolarHBondContact O-N 3.35Å |
| 1187 | K | 93.3 | Very high | 93.7 | Very high | 79 Ų | 79 | 84 Ų | 84 | 34% | 0.343 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.3 | -39.5 | 176.7 | -61.2 | 178.6 | -163.5 | 160.4 | 0 | 112.3 | D1179 K1182 T1183 E1184 E1190 Q1191 | D1179-K1187 VanDerWaalsContact O-CE 3.27Å; D1179-K1187 WeakPolarHBondContact O-CE 3.45Å; K1182-K1187 HydrophobicContact CB-CG 3.79Å; K1182-K1187 HydrophobicContact CD-CG 4.23Å; K1182-K1187 WeakPolarHBondContact O-CE 3.47Å; T1183-K1187 PolarHBondContact O-N 2.98Å; E1184-K1187 WeakPolarHBondContact OE1-CD 3.39Å; E1184-K1187 IonicContact OE1-NZ 2.83Å; E1184-K1187 PolarHBondContact OE1-NZ 3.45Å; K1187-E1190 PolarHBondContact O-N 2.83Å; K1187-Q1191 PolarHBondContact O-N 3.02Å |
| 1188 | R | 93.8 | Very high | 93.8 | Very high | 163 Ų | 163 | 85.7 Ų | 85.7 | 62% | 0.615 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.7 | -39 | 174.5 | -69.4 | 168.9 | -157 | 176.4 | 7.1 | 112.7 | E1184 Q1186 L1192 | E1184-R1188 WeakPolarHBondContact O-CD 3.27Å; E1184-R1188 WeakPolarHBondContact O-CG 3.48Å; E1184-R1188 PolarHBondContact O-N 2.58Å; E1184-R1188 PolarHBondContact O-NE 3.39Å; E1184-R1188 IonicContact OE2-NH2 3.73Å; Q1186-R1188 VanDerWaalsContact C-N 3.28Å; Q1186-R1188 PolarHBondContact O-N 3.33Å; R1188-L1192 VanDerWaalsContact O-CG 3.32Å; R1188-L1192 WeakPolarHBondContact O-CG 3.03Å; R1188-L1192 PolarHBondContact O-N 2.97Å |
| 1189 | R | 93.3 | Very high | 93.8 | Very high | 136 Ų | 136 | 83.8 Ų | 83.8 | 51% | 0.513 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 173.6 | -176.3 | 179.4 | -174.2 | 142.2 | 2.1 | 111.1 | E1170 M1174 A1185 Q1186 L1192 L1193 | E1170-R1189 IonicContact OE1-CZ 2.65Å; E1170-R1189 IonicContact OE1-NE 2.67Å; E1170-R1189 PolarHBondContact OE1-NE 3.48Å; E1170-R1189 IonicContact OE1-NH2 2.64Å; E1170-R1189 PolarHBondContact OE1-NH2 3.1Å; E1170-R1189 IonicContact OE2-NH2 2.68Å; M1174-R1189 HydrophobicContact CE-CB 3.98Å; M1174-R1189 HydrophobicContact CE-CG 4.24Å; A1185-R1189 PolarHBondContact O-N 3.21Å; Q1186-R1189 WeakPolarHBondContact O-CB 3.48Å; Q1186-R1189 PolarHBondContact O-N 2.76Å; Q1186-R1189 VanDerWaalsContact O-N 3.07Å; R1189-L1192 PolarHBondContact O-N 2.88Å; R1189-L1193 HydrophobicContact CG-CD1 4.13Å; R1189-L1193 HydrophobicContact CG-CG 4.45Å; R1189-L1193 VanDerWaalsContact O-CG 3.25Å; R1189-L1193 WeakPolarHBondContact O-CG 3.07Å; R1189-L1193 PolarHBondContact O-N 3.34Å |
| 1190 | E | 93.9 | Very high | 93.9 | Very high | 22 Ų | 22 | 79.4 Ų | 79.4 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 177 | -173.5 | 176 | 138.4 | 0 | 0 | 112.5 | L1171 M1174 L1175 K1182 Q1186 K1187 L1192 L1193 L1194 | L1171-E1190 HydrophobicContact CD1-CG 3.91Å; M1174-E1190 HydrophobicContact CB-CB 4.41Å; M1174-E1190 HydrophobicContact CB-CG 4.34Å; M1174-E1190 HydrophobicContact CE-CB 4.21Å; L1175-E1190 HydrophobicContact CD2-CG 4.48Å; L1175-E1190 VanDerWaalsContact CD2-OE1 3.25Å; L1175-E1190 WeakPolarHBondContact CD2-OE1 3.38Å; K1182-E1190 VanDerWaalsContact CD-OE2 3.25Å; K1182-E1190 WeakPolarHBondContact CD-OE2 3.45Å; K1182-E1190 WeakPolarHBondContact CE-OE2 3.33Å; K1182-E1190 IonicContact NZ-OE1 3.84Å; K1182-E1190 PolarHBondContact NZ-OE1 3.34Å; K1182-E1190 IonicContact NZ-OE2 2.59Å; K1182-E1190 PolarHBondContact NZ-OE2 3.47Å; Q1186-E1190 WeakPolarHBondContact O-CB 3.46Å; Q1186-E1190 PolarHBondContact O-N 3.35Å; K1187-E1190 PolarHBondContact O-N 2.83Å; E1190-L1192 PolarHBondContact O-N 2.86Å; E1190-L1193 PolarHBondContact O-N 3.49Å; E1190-L1194 WeakPolarHBondContact O-CG 3.3Å; E1190-L1194 PolarHBondContact O-N 3.2Å |
| 1191 | Q | 94.4 | Very high | 93.8 | Very high | 102 Ų | 102 | 73.3 Ų | 73.3 | 48% | 0.477 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 172.5 | -174 | 62 | 54.8 | 0 | 0 | 111.8 | K1187 L1193 L1194 D1195 | K1187-Q1191 PolarHBondContact O-N 3.02Å; Q1191-L1193 VanDerWaalsContact C-N 3.29Å; Q1191-L1193 PolarHBondContact O-N 2.96Å; Q1191-L1194 WeakPolarHBondContact O-CB 3.1Å; Q1191-L1194 PolarHBondContact O-N 2.8Å; Q1191-L1194 VanDerWaalsContact O-N 3.16Å; Q1191-D1195 PolarHBondContact NE2-OD1 3.31Å; Q1191-D1195 PolarHBondContact O-N 2.91Å |
| 1192 | L | 95.2 | Very high | 93.6 | Very high | 115 Ų | 115 | 72.8 Ų | 72.8 | 60% | 0.602 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.6 | -33.4 | 177.6 | -70 | 168.8 | 0 | 0 | 0 | 112.9 | R1188 R1189 E1190 E1196 | R1188-L1192 VanDerWaalsContact O-CG 3.32Å; R1188-L1192 WeakPolarHBondContact O-CG 3.03Å; R1188-L1192 PolarHBondContact O-N 2.97Å; R1189-L1192 PolarHBondContact O-N 2.88Å; E1190-L1192 PolarHBondContact O-N 2.86Å; L1192-E1196 PolarHBondContact O-N 3.2Å |
| 1193 | L | 93.6 | Very high | 93.4 | Very high | 14 Ų | 14 | 76.6 Ų | 76.6 | 7% | 0.073 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -70.1 | -37.3 | 173.9 | -67.4 | 167.7 | 0 | 0 | 0 | 111.7 | L1167 E1170 L1171 M1174 R1189 E1190 Q1191 L1197 | L1167-L1193 HydrophobicContact CD1-CD2 3.43Å; L1167-L1193 VanDerWaalsContact CD1-CD2 3.43Å; L1167-L1193 HydrophobicContact CG-CD2 4.42Å; E1170-L1193 HydrophobicContact CB-CD1 4.43Å; E1170-L1193 HydrophobicContact CB-CD2 4.39Å; E1170-L1193 HydrophobicContact CG-CD1 3.86Å; E1170-L1193 HydrophobicContact CG-CD2 4.19Å; L1171-L1193 HydrophobicContact CB-CB 4.32Å; L1171-L1193 HydrophobicContact CD1-CB 4.11Å; M1174-L1193 HydrophobicContact CG-CD1 3.8Å; R1189-L1193 HydrophobicContact CG-CD1 4.13Å; R1189-L1193 HydrophobicContact CG-CG 4.45Å; R1189-L1193 VanDerWaalsContact O-CG 3.25Å; R1189-L1193 WeakPolarHBondContact O-CG 3.07Å; R1189-L1193 PolarHBondContact O-N 3.34Å; E1190-L1193 PolarHBondContact O-N 3.49Å; Q1191-L1193 VanDerWaalsContact C-N 3.29Å; Q1191-L1193 PolarHBondContact O-N 2.96Å; L1193-L1197 WeakPolarHBondContact O-CB 3.49Å; L1193-L1197 PolarHBondContact O-N 3.4Å |
| 1194 | L | 93.8 | Very high | 93 | Very high | 63 Ų | 63 | 78.2 Ų | 78.2 | 33% | 0.33 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 171.7 | -76.1 | 162.2 | 0 | 0 | 0 | 111.6 | L1171 E1190 Q1191 L1197 V1198 | L1171-L1194 HydrophobicContact CD1-CD2 4.22Å; L1171-L1194 HydrophobicContact CD1-CG 3.88Å; L1171-L1194 HydrophobicContact CD2-CD2 3.65Å; L1171-L1194 HydrophobicContact CD2-CG 4.09Å; E1190-L1194 WeakPolarHBondContact O-CG 3.3Å; E1190-L1194 PolarHBondContact O-N 3.2Å; Q1191-L1194 WeakPolarHBondContact O-CB 3.1Å; Q1191-L1194 PolarHBondContact O-N 2.8Å; Q1191-L1194 VanDerWaalsContact O-N 3.16Å; L1194-L1197 WeakPolarHBondContact O-CB 3.42Å; L1194-L1197 PolarHBondContact O-N 3.12Å; L1194-L1197 VanDerWaalsContact O-N 3.15Å; L1194-V1198 WeakPolarHBondContact O-CG2 3.24Å; L1194-V1198 PolarHBondContact O-N 3.29Å |
| 1195 | D | 93.7 | Very high | 92.7 | Very high | 69 Ų | 69 | 76.7 Ų | 76.7 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 179.6 | -64 | -21 | 0 | 0 | 0 | 111 | Q1191 L1197 V1198 I1199 | Q1191-D1195 PolarHBondContact NE2-OD1 3.31Å; Q1191-D1195 PolarHBondContact O-N 2.91Å; D1195-L1197 VanDerWaalsContact C-N 3.29Å; D1195-L1197 PolarHBondContact O-N 2.91Å; D1195-V1198 PolarHBondContact O-N 3.05Å; D1195-I1199 WeakPolarHBondContact O-CB 2.97Å; D1195-I1199 WeakPolarHBondContact O-CD1 3.49Å; D1195-I1199 VanDerWaalsContact O-CG1 3.23Å; D1195-I1199 WeakPolarHBondContact O-CG1 3.5Å; D1195-I1199 PolarHBondContact O-N 3.12Å |
| 1196 | E | 94.1 | Very high | 92.5 | Very high | 91 Ų | 91 | 74.9 Ų | 74.9 | 43% | 0.425 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.1 | -31 | 172.8 | -83.9 | -74.3 | -171.7 | 0 | 0 | 112.7 | L1167 L1192 I1199 L1200 K1203 | L1167-E1196 HydrophobicContact CD1-CB 4.34Å; L1167-E1196 HydrophobicContact CD2-CB 3.74Å; L1192-E1196 PolarHBondContact O-N 3.2Å; E1196-I1199 PolarHBondContact O-N 3.05Å; E1196-L1200 WeakPolarHBondContact O-CG 3.06Å; E1196-L1200 PolarHBondContact O-N 3.15Å; E1196-K1203 IonicContact OE2-NZ 2.75Å |
| 1197 | L | 93.9 | Very high | 92.1 | Very high | 29 Ų | 29 | 74.2 Ų | 74.2 | 15% | 0.152 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.8 | -44.1 | 177.4 | -167 | 74 | 0 | 0 | 0 | 111 | F1164 L1167 N1168 L1171 L1193 L1194 D1195 I1199 L1200 V1201 | F1164-L1197 HydrophobicContact CD2-CD1 3.46Å; F1164-L1197 VanDerWaalsContact CD2-CD1 3.46Å; F1164-L1197 HydrophobicContact CD2-CG 4.35Å; F1164-L1197 HydrophobicContact CE2-CD1 3.57Å; F1164-L1197 HydrophobicContact CE2-CG 4.15Å; F1164-L1197 HydrophobicContact CG-CD1 4.3Å; F1164-L1197 HydrophobicContact CZ-CD1 4.47Å; L1167-L1197 HydrophobicContact CD2-CB 3.86Å; L1167-L1197 HydrophobicContact CD2-CD1 3.95Å; L1167-L1197 VanDerWaalsContact CD2-N 3.31Å; L1167-L1197 HydrophobicContact CG-CD1 4.44Å; N1168-L1197 HydrophobicContact CB-CD1 4.42Å; L1171-L1197 HydrophobicContact CD2-CD2 3.88Å; L1193-L1197 WeakPolarHBondContact O-CB 3.49Å; L1193-L1197 PolarHBondContact O-N 3.4Å; L1194-L1197 WeakPolarHBondContact O-CB 3.42Å; L1194-L1197 PolarHBondContact O-N 3.12Å; L1194-L1197 VanDerWaalsContact O-N 3.15Å; D1195-L1197 VanDerWaalsContact C-N 3.29Å; D1195-L1197 PolarHBondContact O-N 2.91Å; L1197-I1199 VanDerWaalsContact C-N 3.31Å; L1197-I1199 PolarHBondContact O-N 3.19Å; L1197-L1200 PolarHBondContact O-N 3.39Å; L1197-V1201 WeakPolarHBondContact O-CG2 3.39Å; L1197-V1201 PolarHBondContact O-N 3.09Å |
| 1198 | V | 94.1 | Very high | 91.6 | Very high | 86 Ų | 86 | 74 Ų | 74 | 52% | 0.521 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 172.3 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | L1194 D1195 V1201 N1202 | L1194-V1198 WeakPolarHBondContact O-CG2 3.24Å; L1194-V1198 PolarHBondContact O-N 3.29Å; D1195-V1198 PolarHBondContact O-N 3.05Å; V1198-V1201 PolarHBondContact O-N 3.05Å; V1198-N1202 WeakPolarHBondContact CG1-ND2 3.36Å; V1198-N1202 WeakPolarHBondContact O-CB 3.41Å; V1198-N1202 PolarHBondContact O-N 2.85Å; V1198-N1202 PolarHBondContact O-ND2 3.03Å; V1198-N1202 VanDerWaalsContact O-ND2 3.13Å |
| 1199 | I | 93.5 | Very high | 91.2 | Very high | 73 Ų | 73 | 72.6 Ų | 72.6 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 175.7 | -72.1 | 165.9 | 0 | 0 | 0 | 111.8 | D1195 E1196 L1197 K1203 | D1195-I1199 WeakPolarHBondContact O-CB 2.97Å; D1195-I1199 WeakPolarHBondContact O-CD1 3.49Å; D1195-I1199 VanDerWaalsContact O-CG1 3.23Å; D1195-I1199 WeakPolarHBondContact O-CG1 3.5Å; D1195-I1199 PolarHBondContact O-N 3.12Å; E1196-I1199 PolarHBondContact O-N 3.05Å; L1197-I1199 VanDerWaalsContact C-N 3.31Å; L1197-I1199 PolarHBondContact O-N 3.19Å; I1199-K1203 HydrophobicContact CG2-CD 3.94Å; I1199-K1203 WeakPolarHBondContact O-CB 3.4Å; I1199-K1203 WeakPolarHBondContact O-CD 3.21Å; I1199-K1203 WeakPolarHBondContact O-CG 3.49Å; I1199-K1203 PolarHBondContact O-N 2.76Å |
| 1200 | L | 91.8 | Very high | 90.6 | Very high | 12 Ų | 12 | 70.8 Ų | 70.8 | 6% | 0.063 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 176.2 | -73.9 | 176.8 | 0 | 0 | 0 | 112.4 | L1160 R1163 F1164 L1167 E1196 L1197 K1203 R1204 | L1160-L1200 HydrophobicContact CD2-CD2 3.71Å; R1163-L1200 HydrophobicContact CB-CD1 3.79Å; R1163-L1200 HydrophobicContact CB-CD2 3.97Å; F1164-L1200 HydrophobicContact CB-CD1 4.49Å; L1167-L1200 HydrophobicContact CB-CD1 4.37Å; L1167-L1200 HydrophobicContact CD2-CD1 3.7Å; E1196-L1200 WeakPolarHBondContact O-CG 3.06Å; E1196-L1200 PolarHBondContact O-N 3.15Å; L1197-L1200 PolarHBondContact O-N 3.39Å; L1200-K1203 HydrophobicContact CD2-CD 4.36Å; L1200-K1203 WeakPolarHBondContact O-CB 3.47Å; L1200-K1203 PolarHBondContact O-N 3.34Å; L1200-R1204 PolarHBondContact O-N 3.01Å |
| 1201 | V | 90.5 | Very high | 89.6 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 41% | 0.406 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 175.8 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | F1164 L1197 V1198 K1203 R1204 D1205 | F1164-V1201 HydrophobicContact CD2-CG2 4.31Å; F1164-V1201 HydrophobicContact CE2-CG2 4.06Å; L1197-V1201 WeakPolarHBondContact O-CG2 3.39Å; L1197-V1201 PolarHBondContact O-N 3.09Å; V1198-V1201 PolarHBondContact O-N 3.05Å; V1201-K1203 VanDerWaalsContact C-N 3.32Å; V1201-K1203 PolarHBondContact O-N 3.04Å; V1201-R1204 PolarHBondContact O-N 3.38Å; V1201-D1205 WeakPolarHBondContact O-CB 3.45Å; V1201-D1205 PolarHBondContact O-N 2.89Å |
| 1202 | N | 90.1 | Very high | 88.9 | Confident | 90 Ų | 90 | 72.3 Ų | 72.3 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -34.6 | 175.8 | -72.1 | -28.8 | 0 | 0 | 0 | 112.7 | V1198 A1206 | V1198-N1202 WeakPolarHBondContact CG1-ND2 3.36Å; V1198-N1202 WeakPolarHBondContact O-CB 3.41Å; V1198-N1202 PolarHBondContact O-N 2.85Å; V1198-N1202 PolarHBondContact O-ND2 3.03Å; V1198-N1202 VanDerWaalsContact O-ND2 3.13Å; N1202-A1206 WeakPolarHBondContact O-CB 3.31Å; N1202-A1206 PolarHBondContact O-N 2.76Å |
| 1203 | K | 90.6 | Very high | 88.2 | Confident | 92 Ų | 92 | 69.5 Ų | 69.5 | 40% | 0.4 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 173 | -75.8 | 161.2 | -179.8 | 165.2 | 0 | 111.6 | L1160 E1196 I1199 L1200 V1201 A1206 L1207 | L1160-K1203 HydrophobicContact CD1-CB 3.89Å; L1160-K1203 HydrophobicContact CD2-CB 3.98Å; L1160-K1203 HydrophobicContact CD2-CD 4.24Å; E1196-K1203 IonicContact OE2-NZ 2.75Å; I1199-K1203 HydrophobicContact CG2-CD 3.94Å; I1199-K1203 WeakPolarHBondContact O-CB 3.4Å; I1199-K1203 WeakPolarHBondContact O-CD 3.21Å; I1199-K1203 WeakPolarHBondContact O-CG 3.49Å; I1199-K1203 PolarHBondContact O-N 2.76Å; L1200-K1203 HydrophobicContact CD2-CD 4.36Å; L1200-K1203 WeakPolarHBondContact O-CB 3.47Å; L1200-K1203 PolarHBondContact O-N 3.34Å; V1201-K1203 VanDerWaalsContact C-N 3.32Å; V1201-K1203 PolarHBondContact O-N 3.04Å; K1203-A1206 PolarHBondContact O-N 3.3Å; K1203-L1207 WeakPolarHBondContact O-CG 3.37Å; K1203-L1207 PolarHBondContact O-N 3.32Å; K1203-L1207 VanDerWaalsContact O-N 3.08Å |
| 1204 | R | 88.3 | Confident | 87.3 | Confident | 110 Ų | 110 | 73.9 Ų | 73.9 | 42% | 0.415 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.1 | -45.4 | 177.4 | -166.1 | 179 | 70.2 | 155.1 | 3.6 | 111.6 | L1160 E1161 L1200 V1201 A1206 L1207 V1208 | L1160-R1204 HydrophobicContact CD1-CB 3.91Å; L1160-R1204 HydrophobicContact CD1-CG 4.49Å; E1161-R1204 IonicContact OE1-NH1 2.74Å; L1200-R1204 PolarHBondContact O-N 3.01Å; V1201-R1204 PolarHBondContact O-N 3.38Å; R1204-A1206 VanDerWaalsContact C-N 3.28Å; R1204-A1206 PolarHBondContact O-N 2.95Å; R1204-L1207 PolarHBondContact O-N 2.84Å; R1204-L1207 VanDerWaalsContact O-N 3.16Å; R1204-V1208 WeakPolarHBondContact O-CG2 3.24Å; R1204-V1208 PolarHBondContact O-N 3.06Å |
| 1205 | D | 87.3 | Confident | 86.6 | Confident | 69 Ų | 69 | 76 Ų | 76 | 37% | 0.369 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.1 | -33.1 | 175.1 | 167.4 | 66.6 | 0 | 0 | 0 | 112.8 | V1201 R1209 | V1201-D1205 WeakPolarHBondContact O-CB 3.45Å; V1201-D1205 PolarHBondContact O-N 2.89Å; D1205-R1209 PolarHBondContact O-N 3.37Å; D1205-R1209 IonicContact OD1-CZ 2.67Å; D1205-R1209 IonicContact OD1-NH1 3.9Å; D1205-R1209 PolarHBondContact OD1-NH1 3.22Å; D1205-R1209 IonicContact OD1-NH2 3.23Å; D1205-R1209 IonicContact OD2-CZ 2.8Å; D1205-R1209 IonicContact OD2-NH1 3.59Å; D1205-R1209 PolarHBondContact OD2-NH1 3.46Å; D1205-R1209 IonicContact OD2-NH2 3.85Å; D1205-R1209 PolarHBondContact OD2-NH2 3.42Å |
| 1206 | A | 89.4 | Confident | 85.9 | Confident | 34 Ų | 34 | 79.1 Ų | 79.1 | 28% | 0.281 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.7 | -49.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1202 K1203 R1204 V1208 R1209 D1210 | N1202-A1206 WeakPolarHBondContact O-CB 3.31Å; N1202-A1206 PolarHBondContact O-N 2.76Å; K1203-A1206 PolarHBondContact O-N 3.3Å; R1204-A1206 VanDerWaalsContact C-N 3.28Å; R1204-A1206 PolarHBondContact O-N 2.95Å; A1206-V1208 VanDerWaalsContact C-N 3.31Å; A1206-V1208 PolarHBondContact O-N 3.13Å; A1206-R1209 PolarHBondContact O-N 2.9Å; A1206-R1209 VanDerWaalsContact O-N 3.15Å; A1206-D1210 PolarHBondContact O-N 3.48Å |
| 1207 | L | 84.8 | Confident | 85.2 | Confident | 42 Ų | 42 | 81.4 Ų | 81.4 | 22% | 0.22 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -57.1 | -42.3 | 178.2 | -73.7 | 177.6 | 0 | 0 | 0 | 112.5 | L1153 K1156 L1160 K1203 R1204 R1209 D1210 L1211 | L1153-L1207 HydrophobicContact CD1-CB 4.41Å; K1156-L1207 HydrophobicContact CB-CD1 3.77Å; K1156-L1207 HydrophobicContact CD-CD2 4.19Å; L1160-L1207 HydrophobicContact CD1-CD1 3.64Å; K1203-L1207 WeakPolarHBondContact O-CG 3.37Å; K1203-L1207 PolarHBondContact O-N 3.32Å; K1203-L1207 VanDerWaalsContact O-N 3.08Å; R1204-L1207 PolarHBondContact O-N 2.84Å; R1204-L1207 VanDerWaalsContact O-N 3.16Å; L1207-R1209 VanDerWaalsContact C-N 3.34Å; L1207-R1209 PolarHBondContact O-N 3.24Å; L1207-D1210 PolarHBondContact O-N 3.49Å; L1207-L1211 WeakPolarHBondContact O-CB 3.46Å; L1207-L1211 PolarHBondContact O-N 3.09Å |
| 1208 | V | 83.4 | Confident | 84 | Confident | 74 Ų | 74 | 81.1 Ų | 81.1 | 45% | 0.448 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.9 | -35 | 179 | 173.2 | 0 | 0 | 0 | 0 | 112.2 | R1204 A1206 L1211 D1212 | R1204-V1208 WeakPolarHBondContact O-CG2 3.24Å; R1204-V1208 PolarHBondContact O-N 3.06Å; A1206-V1208 VanDerWaalsContact C-N 3.31Å; A1206-V1208 PolarHBondContact O-N 3.13Å; V1208-L1211 WeakPolarHBondContact O-CB 3.41Å; V1208-D1212 PolarHBondContact O-N 2.98Å; V1208-D1212 VanDerWaalsContact O-N 3.15Å |
| 1209 | R | 86.1 | Confident | 83 | Confident | 135 Ų | 135 | 82.9 Ų | 82.9 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -72.6 | -40.6 | 173.7 | -77.7 | -170.4 | -65.8 | -94.4 | -10 | 113.3 | D1205 A1206 L1207 L1211 D1212 A1213 | D1205-R1209 PolarHBondContact O-N 3.37Å; D1205-R1209 IonicContact OD1-CZ 2.67Å; D1205-R1209 IonicContact OD1-NH1 3.9Å; D1205-R1209 PolarHBondContact OD1-NH1 3.22Å; D1205-R1209 IonicContact OD1-NH2 3.23Å; D1205-R1209 IonicContact OD2-CZ 2.8Å; D1205-R1209 IonicContact OD2-NH1 3.59Å; D1205-R1209 PolarHBondContact OD2-NH1 3.46Å; D1205-R1209 IonicContact OD2-NH2 3.85Å; D1205-R1209 PolarHBondContact OD2-NH2 3.42Å; A1206-R1209 PolarHBondContact O-N 2.9Å; A1206-R1209 VanDerWaalsContact O-N 3.15Å; L1207-R1209 VanDerWaalsContact C-N 3.34Å; L1207-R1209 PolarHBondContact O-N 3.24Å; R1209-L1211 PolarHBondContact O-N 2.79Å; R1209-D1212 PolarHBondContact O-N 3.38Å; R1209-A1213 WeakPolarHBondContact O-CB 3.49Å; R1209-A1213 PolarHBondContact O-N 2.75Å; R1209-A1213 VanDerWaalsContact O-N 3.11Å |
| 1210 | D | 80.4 | Confident | 82.2 | Confident | 97 Ų | 97 | 82.1 Ų | 82.1 | 52% | 0.519 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.9 | -24.7 | 177.6 | -68.3 | -11.3 | 0 | 0 | 0 | 111.3 | A1206 L1207 Q1214 | A1206-D1210 PolarHBondContact O-N 3.48Å; L1207-D1210 PolarHBondContact O-N 3.49Å; D1210-Q1214 WeakPolarHBondContact O-CG 3.36Å; D1210-Q1214 PolarHBondContact O-N 2.9Å; D1210-Q1214 PolarHBondContact O-NE2 2.93Å |
| 1211 | L | 72.5 | Confident | 81.2 | Confident | 55 Ų | 55 | 86.5 Ų | 86.5 | 29% | 0.288 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.1 | -59.4 | 170.8 | -160.2 | -163.5 | 0 | 0 | 0 | 111.5 | L1153 L1207 V1208 R1209 A1213 Q1214 E1215 | L1153-L1211 HydrophobicContact CD1-CB 3.78Å; L1153-L1211 HydrophobicContact CD1-CD1 4.04Å; L1153-L1211 HydrophobicContact CD1-CG 3.72Å; L1153-L1211 HydrophobicContact CD2-CD1 3.41Å; L1153-L1211 VanDerWaalsContact CD2-CD1 3.41Å; L1153-L1211 HydrophobicContact CD2-CG 3.8Å; L1153-L1211 HydrophobicContact CG-CD1 4.35Å; L1153-L1211 HydrophobicContact CG-CG 4.37Å; L1207-L1211 WeakPolarHBondContact O-CB 3.46Å; L1207-L1211 PolarHBondContact O-N 3.09Å; V1208-L1211 WeakPolarHBondContact O-CB 3.41Å; R1209-L1211 PolarHBondContact O-N 2.79Å; L1211-A1213 PolarHBondContact O-N 3.47Å; L1211-Q1214 PolarHBondContact O-N 3.04Å; L1211-E1215 HydrophobicContact CD2-CB 4.18Å; L1211-E1215 PolarHBondContact O-N 3.41Å |
| 1212 | D | 79.1 | Confident | 80.1 | Confident | 101 Ų | 101 | 86.7 Ų | 86.7 | 54% | 0.54 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -53.9 | -38.2 | -179.8 | 177.6 | 81.6 | 0 | 0 | 0 | 111.6 | V1208 R1209 K1216 | V1208-D1212 PolarHBondContact O-N 2.98Å; V1208-D1212 VanDerWaalsContact O-N 3.15Å; R1209-D1212 PolarHBondContact O-N 3.38Å; D1212-K1216 WeakPolarHBondContact O-CB 3.34Å; D1212-K1216 PolarHBondContact O-N 3.35Å |
| 1213 | A | 82 | Confident | 79.3 | Confident | 57 Ų | 57 | 86.9 Ų | 86.9 | 47% | 0.471 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1209 L1211 E1217 | R1209-A1213 WeakPolarHBondContact O-CB 3.49Å; R1209-A1213 PolarHBondContact O-N 2.75Å; R1209-A1213 VanDerWaalsContact O-N 3.11Å; L1211-A1213 PolarHBondContact O-N 3.47Å; A1213-E1217 WeakPolarHBondContact O-CB 3.4Å; A1213-E1217 PolarHBondContact O-N 3.04Å; A1213-E1217 VanDerWaalsContact O-N 3.1Å |
| 1214 | Q | 74.2 | Confident | 78.4 | Confident | 106 Ų | 106 | 88 Ų | 88 | 50% | 0.495 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -75.3 | -39.3 | -178.9 | -80.7 | 172.5 | 68.5 | 0 | 0 | 113.1 | D1210 L1211 K1216 E1217 A1218 | D1210-Q1214 WeakPolarHBondContact O-CG 3.36Å; D1210-Q1214 PolarHBondContact O-N 2.9Å; D1210-Q1214 PolarHBondContact O-NE2 2.93Å; L1211-Q1214 PolarHBondContact O-N 3.04Å; Q1214-K1216 VanDerWaalsContact C-N 3.34Å; Q1214-E1217 PolarHBondContact O-N 2.86Å; Q1214-A1218 WeakPolarHBondContact O-CB 3.46Å; Q1214-A1218 PolarHBondContact O-N 3.29Å |
| 1215 | E | 79 | Confident | 77.5 | Confident | 108 Ų | 108 | 87.5 Ų | 87.5 | 51% | 0.505 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 176.7 | -175.2 | 160.3 | -145.9 | 0 | 0 | 110.3 | L1211 E1217 A1218 E1219 | L1211-E1215 HydrophobicContact CD2-CB 4.18Å; L1211-E1215 PolarHBondContact O-N 3.41Å; E1215-E1217 PolarHBondContact O-N 2.93Å; E1215-A1218 PolarHBondContact O-N 3.32Å; E1215-E1219 WeakPolarHBondContact O-CB 3.49Å; E1215-E1219 PolarHBondContact O-N 3.07Å |
| 1216 | K | 79.1 | Confident | 76.5 | Confident | 134 Ų | 134 | 89.7 Ų | 89.7 | 58% | 0.583 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.9 | -31.5 | 176.7 | -166.9 | 174.8 | -154.1 | 139.9 | 0 | 114.4 | D1212 Q1214 A1220 | D1212-K1216 WeakPolarHBondContact O-CB 3.34Å; D1212-K1216 PolarHBondContact O-N 3.35Å; Q1214-K1216 VanDerWaalsContact C-N 3.34Å; K1216-A1220 WeakPolarHBondContact O-CB 3.46Å; K1216-A1220 PolarHBondContact O-N 3.16Å; K1216-A1220 VanDerWaalsContact O-N 3.15Å |
| 1217 | E | 78.5 | Confident | 75.6 | Confident | 139 Ų | 139 | 93.5 Ų | 93.5 | 65% | 0.65 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.3 | -44.1 | 172.3 | -172.1 | 161.6 | -136.3 | 0 | 0 | 110.6 | A1213 Q1214 E1215 A1220 E1221 | A1213-E1217 WeakPolarHBondContact O-CB 3.4Å; A1213-E1217 PolarHBondContact O-N 3.04Å; A1213-E1217 VanDerWaalsContact O-N 3.1Å; Q1214-E1217 PolarHBondContact O-N 2.86Å; E1215-E1217 PolarHBondContact O-N 2.93Å; E1217-A1220 PolarHBondContact O-N 3.27Å; E1217-E1221 WeakPolarHBondContact O-CG 3.37Å; E1217-E1221 PolarHBondContact O-N 3.32Å |
| 1218 | A | 68.8 | Low | 74.8 | Confident | 22 Ų | 22 | 93 Ų | 93 | 18% | 0.182 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1214 E1215 E1221 D1222 | Q1214-A1218 WeakPolarHBondContact O-CB 3.46Å; Q1214-A1218 PolarHBondContact O-N 3.29Å; E1215-A1218 PolarHBondContact O-N 3.32Å; A1218-E1221 WeakPolarHBondContact O-CB 3.49Å; A1218-E1221 PolarHBondContact O-N 3.37Å; A1218-D1222 PolarHBondContact O-N 3.08Å |
| 1219 | E | 73.3 | Confident | 73.6 | Confident | 124 Ų | 124 | 94.6 Ų | 94.6 | 58% | 0.579 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 174 | -173.7 | 175.8 | -133.2 | 0 | 0 | 111 | E1215 E1221 D1222 E1223 | E1215-E1219 WeakPolarHBondContact O-CB 3.49Å; E1215-E1219 PolarHBondContact O-N 3.07Å; E1219-E1221 VanDerWaalsContact C-N 3.35Å; E1219-E1221 PolarHBondContact O-N 2.91Å; E1219-D1222 PolarHBondContact O-N 3.43Å; E1219-E1223 PolarHBondContact O-N 3.23Å |
| 1220 | A | 76.4 | Confident | 72.4 | Confident | 56 Ų | 56 | 93.3 Ų | 93.3 | 46% | 0.463 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.6 | -32.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K1216 E1217 H1224 | K1216-A1220 WeakPolarHBondContact O-CB 3.46Å; K1216-A1220 PolarHBondContact O-N 3.16Å; K1216-A1220 VanDerWaalsContact O-N 3.15Å; E1217-A1220 PolarHBondContact O-N 3.27Å; A1220-H1224 VanDerWaalsContact O-CB 3.31Å; A1220-H1224 WeakPolarHBondContact O-CB 3.38Å; A1220-H1224 PolarHBondContact O-N 2.81Å |
| 1221 | E | 72.4 | Confident | 71.3 | Confident | 104 Ų | 104 | 94.5 Ų | 94.5 | 49% | 0.486 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64 | -47.5 | 168.8 | -72.5 | -176.2 | 151.6 | 0 | 0 | 111.6 | R1146 E1217 A1218 E1219 H1224 L1225 | R1146-E1221 IonicContact NH2-OE2 3.78Å; R1146-E1221 PolarHBondContact NH2-OE2 2.87Å; E1217-E1221 WeakPolarHBondContact O-CG 3.37Å; E1217-E1221 PolarHBondContact O-N 3.32Å; A1218-E1221 WeakPolarHBondContact O-CB 3.49Å; A1218-E1221 PolarHBondContact O-N 3.37Å; E1219-E1221 VanDerWaalsContact C-N 3.35Å; E1219-E1221 PolarHBondContact O-N 2.91Å; E1221-H1224 WeakPolarHBondContact O-CB 3.49Å; E1221-H1224 PolarHBondContact O-N 3.46Å; E1221-H1224 VanDerWaalsContact O-N 3.14Å; E1221-L1225 WeakPolarHBondContact O-CG 3.38Å; E1221-L1225 PolarHBondContact O-N 2.91Å |
| 1222 | D | 67 | Low | 70.4 | Confident | 72 Ų | 72 | 95 Ų | 95 | 39% | 0.385 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.3 | -42.5 | -175.8 | -78.4 | 6.6 | 0 | 0 | 0 | 112 | R1146 A1218 E1219 H1224 L1225 E1226 | R1146-D1222 IonicContact CZ-OD1 3.7Å; R1146-D1222 VanDerWaalsContact CZ-OD1 3.23Å; R1146-D1222 IonicContact CZ-OD2 3.16Å; R1146-D1222 IonicContact NH1-OD1 2.67Å; R1146-D1222 PolarHBondContact NH1-OD1 3.45Å; R1146-D1222 IonicContact NH1-OD2 2.74Å; R1146-D1222 PolarHBondContact NH1-OD2 2.89Å; R1146-D1222 IonicContact NH2-OD1 2.77Å; R1146-D1222 PolarHBondContact NH2-OD1 2.88Å; R1146-D1222 IonicContact NH2-OD2 3.65Å; A1218-D1222 PolarHBondContact O-N 3.08Å; E1219-D1222 PolarHBondContact O-N 3.43Å; D1222-H1224 PolarHBondContact O-N 2.93Å; D1222-L1225 PolarHBondContact O-N 3.43Å; D1222-L1225 VanDerWaalsContact O-N 3.16Å; D1222-E1226 PolarHBondContact O-N 3.23Å |
| 1223 | E | 72.4 | Confident | 69 | Low | 93 Ų | 93 | 97.2 Ų | 97.2 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.4 | -33.7 | 169.5 | -72.2 | -162.9 | 169.5 | 0 | 0 | 111.6 | E1219 R1227 | E1219-E1223 PolarHBondContact O-N 3.23Å; E1223-R1227 WeakPolarHBondContact O-CB 3.42Å; E1223-R1227 WeakPolarHBondContact O-CG 3.4Å; E1223-R1227 PolarHBondContact O-N 3.13Å; E1223-R1227 PolarHBondContact O-NE 2.78Å; E1223-R1227 PolarHBondContact O-NH1 3.16Å; E1223-R1227 IonicContact OE2-CZ 3.35Å; E1223-R1227 IonicContact OE2-NE 2.72Å; E1223-R1227 PolarHBondContact OE2-NE 2.86Å; E1223-R1227 IonicContact OE2-NH2 2.68Å; E1223-R1227 PolarHBondContact OE2-NH2 2.98Å |
| 1224 | H | 72.9 | Confident | 67.2 | Low | 115 Ų | 115 | 96.5 Ų | 96.5 | 53% | 0.532 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.7 | -36.4 | 177 | -176.1 | 43.3 | 0 | 0 | 0 | 112.4 | A1220 E1221 D1222 T1228 | A1220-H1224 VanDerWaalsContact O-CB 3.31Å; A1220-H1224 WeakPolarHBondContact O-CB 3.38Å; A1220-H1224 PolarHBondContact O-N 2.81Å; E1221-H1224 WeakPolarHBondContact O-CB 3.49Å; E1221-H1224 PolarHBondContact O-N 3.46Å; E1221-H1224 VanDerWaalsContact O-N 3.14Å; D1222-H1224 PolarHBondContact O-N 2.93Å; H1224-T1228 WeakPolarHBondContact O-CB 3.46Å; H1224-T1228 PolarHBondContact O-N 3.06Å; H1224-T1228 PolarHBondContact O-OG1 3.24Å |
| 1225 | L | 67.6 | Low | 66.1 | Low | 100 Ų | 100 | 95.6 Ų | 95.6 | 52% | 0.524 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.2 | -48.7 | 171.7 | -71.5 | 166 | 0 | 0 | 0 | 111.3 | E1221 D1222 T1228 L1229 | E1221-L1225 WeakPolarHBondContact O-CG 3.38Å; E1221-L1225 PolarHBondContact O-N 2.91Å; D1222-L1225 PolarHBondContact O-N 3.43Å; D1222-L1225 VanDerWaalsContact O-N 3.16Å; L1225-T1228 WeakPolarHBondContact O-CB 3.49Å; L1225-T1228 PolarHBondContact O-N 3.32Å; L1225-L1229 WeakPolarHBondContact O-CG 3.26Å; L1225-L1229 PolarHBondContact O-N 3.39Å |
| 1226 | E | 66.9 | Low | 64.5 | Low | 116 Ų | 116 | 93.8 Ų | 93.8 | 54% | 0.542 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.6 | -49.6 | -179.7 | -175.3 | 160.6 | -123.1 | 0 | 0 | 111.7 | D1222 T1228 L1229 E1230 | D1222-E1226 PolarHBondContact O-N 3.23Å; E1226-T1228 PolarHBondContact O-N 3.24Å; E1226-L1229 CarbonylContact O-C 3.54Å; E1226-L1229 WeakPolarHBondContact O-CA 3.38Å; E1226-L1229 WeakPolarHBondContact O-CB 3.48Å; E1226-L1229 PolarHBondContact O-N 3.39Å; E1226-E1230 HydrophobicContact CG-CG 4.24Å; E1226-E1230 WeakPolarHBondContact O-CG 3.3Å; E1226-E1230 PolarHBondContact O-N 3.17Å |
| 1227 | R | 71.6 | Confident | 62.9 | Low | 113 Ų | 113 | 90.1 Ų | 90.1 | 43% | 0.426 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.6 | -32.4 | 175.9 | -70.5 | -175 | -103.5 | 95 | -13.9 | 112.2 | E1223 Q1231 | E1223-R1227 WeakPolarHBondContact O-CB 3.42Å; E1223-R1227 WeakPolarHBondContact O-CG 3.4Å; E1223-R1227 PolarHBondContact O-N 3.13Å; E1223-R1227 PolarHBondContact O-NE 2.78Å; E1223-R1227 PolarHBondContact O-NH1 3.16Å; E1223-R1227 IonicContact OE2-CZ 3.35Å; E1223-R1227 IonicContact OE2-NE 2.72Å; E1223-R1227 PolarHBondContact OE2-NE 2.86Å; E1223-R1227 IonicContact OE2-NH2 2.68Å; E1223-R1227 PolarHBondContact OE2-NH2 2.98Å; R1227-Q1231 WeakPolarHBondContact O-CB 3.38Å; R1227-Q1231 VanDerWaalsContact O-CG 3.3Å; R1227-Q1231 WeakPolarHBondContact O-CG 3.34Å; R1227-Q1231 PolarHBondContact O-N 3.34Å |
| 1228 | T | 66.5 | Low | 61.4 | Low | 31 Ų | 31 | 91 Ų | 91 | 19% | 0.19 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -69.2 | -43.1 | 172.9 | -60 | 0 | 0 | 0 | 0 | 112.1 | H1224 L1225 E1226 N1232 | H1224-T1228 WeakPolarHBondContact O-CB 3.46Å; H1224-T1228 PolarHBondContact O-N 3.06Å; H1224-T1228 PolarHBondContact O-OG1 3.24Å; L1225-T1228 WeakPolarHBondContact O-CB 3.49Å; L1225-T1228 PolarHBondContact O-N 3.32Å; E1226-T1228 PolarHBondContact O-N 3.24Å; T1228-N1232 PolarHBondContact O-N 2.84Å; T1228-N1232 PolarHBondContact O-ND2 2.88Å |
| 1229 | L | 58.8 | Low | 60.4 | Low | 109 Ų | 109 | 95.8 Ų | 95.8 | 57% | 0.571 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.6 | -42.7 | 177.3 | -70 | 168.3 | 0 | 0 | 0 | 111.9 | L1225 E1226 N1232 K1233 | L1225-L1229 WeakPolarHBondContact O-CG 3.26Å; L1225-L1229 PolarHBondContact O-N 3.39Å; E1226-L1229 CarbonylContact O-C 3.54Å; E1226-L1229 WeakPolarHBondContact O-CA 3.38Å; E1226-L1229 WeakPolarHBondContact O-CB 3.48Å; E1226-L1229 PolarHBondContact O-N 3.39Å; L1229-N1232 PolarHBondContact O-N 2.98Å; L1229-K1233 WeakPolarHBondContact O-CG 3.26Å; L1229-K1233 PolarHBondContact O-N 3.23Å |
| 1230 | E | 61.1 | Low | 59.1 | Low | 108 Ų | 108 | 97.3 Ų | 97.3 | 51% | 0.505 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 176.5 | -69.7 | -162.7 | 129.5 | 0 | 0 | 112.7 | E1226 N1232 K1233 G1234 | E1226-E1230 HydrophobicContact CG-CG 4.24Å; E1226-E1230 WeakPolarHBondContact O-CG 3.3Å; E1226-E1230 PolarHBondContact O-N 3.17Å; E1230-N1232 PolarHBondContact O-N 3.49Å; E1230-K1233 PolarHBondContact O-N 3.44Å; E1230-K1233 VanDerWaalsContact O-N 3.15Å; E1230-G1234 PolarHBondContact O-N 3.25Å |
| 1231 | Q | 57.9 | Low | 57.7 | Low | 122 Ų | 122 | 102.4 Ų | 102.4 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.2 | -29.6 | 173.9 | -80.3 | -171.4 | 17.5 | 0 | 0 | 112.4 | R1227 K1235 | R1227-Q1231 WeakPolarHBondContact O-CB 3.38Å; R1227-Q1231 VanDerWaalsContact O-CG 3.3Å; R1227-Q1231 WeakPolarHBondContact O-CG 3.34Å; R1227-Q1231 PolarHBondContact O-N 3.34Å; Q1231-K1235 VanDerWaalsContact O-CD 3.26Å; Q1231-K1235 WeakPolarHBondContact O-CD 3.01Å; Q1231-K1235 VanDerWaalsContact O-CE 3.28Å; Q1231-K1235 WeakPolarHBondContact O-CE 3.4Å; Q1231-K1235 WeakPolarHBondContact O-CG 3.19Å; Q1231-K1235 PolarHBondContact O-N 3.31Å |
| 1232 | N | 52.4 | Low | 56.4 | Low | 65 Ų | 65 | 105.8 Ų | 105.8 | 35% | 0.348 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -76.2 | -41.4 | 174.6 | -68.7 | -23.9 | 0 | 0 | 0 | 111.9 | T1228 L1229 E1230 G1234 K1235 M1236 | T1228-N1232 PolarHBondContact O-N 2.84Å; T1228-N1232 PolarHBondContact O-ND2 2.88Å; L1229-N1232 PolarHBondContact O-N 2.98Å; E1230-N1232 PolarHBondContact O-N 3.49Å; N1232-G1234 PolarHBondContact O-N 2.79Å; N1232-K1235 PolarHBondContact O-N 3.37Å; N1232-K1235 PolarHBondContact OD1-NZ 2.75Å; N1232-M1236 PolarHBondContact O-N 3Å |
| 1233 | K | 50.8 | Low | 55.2 | Low | 147 Ų | 147 | 107.5 Ų | 107.5 | 64% | 0.639 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -55.9 | -47.4 | 170.3 | -66.9 | 171.1 | -174.1 | 170.1 | 0 | 112 | L1229 E1230 K1235 M1236 A1237 | L1229-K1233 WeakPolarHBondContact O-CG 3.26Å; L1229-K1233 PolarHBondContact O-N 3.23Å; E1230-K1233 PolarHBondContact O-N 3.44Å; E1230-K1233 VanDerWaalsContact O-N 3.15Å; K1233-K1235 VanDerWaalsContact C-N 3.25Å; K1233-K1235 PolarHBondContact O-N 3.26Å; K1233-M1236 WeakPolarHBondContact O-CB 3.5Å; K1233-M1236 PolarHBondContact O-N 3.5Å; K1233-A1237 PolarHBondContact O-N 2.6Å |
| 1234 | G | 44.5 | Very low | 53.7 | Low | 42 Ų | 42 | 109.3 Ų | 109.3 | 43% | 0.433 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.9 | -21.5 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1230 N1232 | E1230-G1234 PolarHBondContact O-N 3.25Å; N1232-G1234 PolarHBondContact O-N 2.79Å |
| 1235 | K | 50.2 | Low | 52.2 | Low | 88 Ų | 88 | 111.7 Ų | 111.7 | 38% | 0.383 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -79.7 | -21.5 | 171.5 | -69.6 | 162.2 | -160.2 | 166.8 | 0 | 112.8 | Q1231 N1232 K1233 | Q1231-K1235 VanDerWaalsContact O-CD 3.26Å; Q1231-K1235 WeakPolarHBondContact O-CD 3.01Å; Q1231-K1235 VanDerWaalsContact O-CE 3.28Å; Q1231-K1235 WeakPolarHBondContact O-CE 3.4Å; Q1231-K1235 WeakPolarHBondContact O-CG 3.19Å; Q1231-K1235 PolarHBondContact O-N 3.31Å; N1232-K1235 PolarHBondContact O-N 3.37Å; N1232-K1235 PolarHBondContact OD1-NZ 2.75Å; K1233-K1235 VanDerWaalsContact C-N 3.25Å; K1233-K1235 PolarHBondContact O-N 3.26Å |
| 1236 | M | 45.7 | Very low | 50.8 | Low | 70 Ų | 70 | 119.5 Ų | 119.5 | 35% | 0.345 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -79.1 | -50.3 | 178.6 | -65.5 | -62.8 | -78.6 | 0 | 0 | 111.5 | E584 N1232 K1233 K1238 K1239 E1240 | E584-M1236 VanDerWaalsContact CD-CE 3.46Å; E584-M1236 HydrophobicContact CG-CE 4.42Å; E584-M1236 WeakPolarHBondContact OE1-CE 3.18Å; E584-M1236 WeakPolarHBondContact OE2-CE 3.11Å; N1232-M1236 PolarHBondContact O-N 3Å; K1233-M1236 WeakPolarHBondContact O-CB 3.5Å; K1233-M1236 PolarHBondContact O-N 3.5Å; M1236-K1238 VanDerWaalsContact C-N 3.26Å; M1236-K1238 PolarHBondContact O-N 3.38Å; M1236-K1239 WeakPolarHBondContact O-CB 3.3Å; M1236-K1239 PolarHBondContact O-N 3.5Å; M1236-E1240 PolarHBondContact O-N 3.43Å |
| 1237 | A | 45.1 | Very low | 50 | Low | 56 Ų | 56 | 119.7 Ų | 119.7 | 46% | 0.463 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -53.4 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1233 K1239 E1240 | K1233-A1237 PolarHBondContact O-N 2.6Å; A1237-K1239 PolarHBondContact O-N 3.36Å; A1237-E1240 PolarHBondContact O-N 2.95Å |
| 1238 | K | 48 | Very low | 48.8 | Very low | 157 Ų | 157 | 120 Ų | 120 | 68% | 0.683 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -73.6 | -0.3 | 177.8 | -67.6 | -175.2 | 176 | -178.4 | 0 | 115.3 | M1236 | M1236-K1238 VanDerWaalsContact C-N 3.26Å; M1236-K1238 PolarHBondContact O-N 3.38Å |
| 1239 | K | 47.5 | Very low | 47.9 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 54% | 0.539 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -95.4 | -36 | 168.4 | -82.5 | -179.4 | 171.9 | -178.7 | 0 | 112.3 | M1236 A1237 E1241 K1242 | M1236-K1239 WeakPolarHBondContact O-CB 3.3Å; M1236-K1239 PolarHBondContact O-N 3.5Å; A1237-K1239 PolarHBondContact O-N 3.36Å; K1239-E1241 VanDerWaalsContact C-N 3.35Å; K1239-E1241 PolarHBondContact O-N 3.37Å; K1239-K1242 PolarHBondContact O-N 3.28Å |
| 1240 | E | 45.4 | Very low | 47.2 | Very low | 156 Ų | 156 | 125.9 Ų | 125.9 | 73% | 0.729 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.4 | -39.9 | -176.6 | -63.6 | -174.7 | 149.4 | 0 | 0 | 111.7 | M1236 A1237 K1242 C1243 | M1236-E1240 PolarHBondContact O-N 3.43Å; A1237-E1240 PolarHBondContact O-N 2.95Å; E1240-K1242 PolarHBondContact O-N 3.33Å; E1240-C1243 PolarHBondContact O-N 2.86Å |
| 1241 | E | 47.4 | Very low | 46.4 | Very low | 163 Ų | 163 | 127 Ų | 127 | 76% | 0.762 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -11.2 | 175.5 | -63.8 | -179.8 | 151.6 | 0 | 0 | 115.1 | K1239 | K1239-E1241 VanDerWaalsContact C-N 3.35Å; K1239-E1241 PolarHBondContact O-N 3.37Å |
| 1242 | K | 45.6 | Very low | 45.6 | Very low | 175 Ų | 175 | 127.3 Ų | 127.3 | 76% | 0.761 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 9.6 | -174.5 | -68.9 | -168.4 | 174.6 | -175.8 | 0 | 114.9 | K1239 E1240 V1244 | K1239-K1242 PolarHBondContact O-N 3.28Å; E1240-K1242 PolarHBondContact O-N 3.33Å; K1242-V1244 PolarHBondContact O-N 3.42Å; K1242-V1244 VanDerWaalsContact O-N 3.16Å |
| 1243 | C | 40.5 | Very low | 45.1 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 73% | 0.73 | 67% | 0.668 | S | S | * | * | trans | -86.4 | 74 | 174 | -157.7 | 0 | 0 | 0 | 0 | 112.1 | E1240 | E1240-C1243 PolarHBondContact O-N 2.86Š| ||
| 1244 | V | 40.9 | Very low | 44.7 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 79% | 0.794 | 67% | 0.67 | S | S | * | * | trans | -81.5 | 115.5 | 161 | 179.9 | 0 | 0 | 0 | 0 | 107.8 | K1242 | K1242-V1244 PolarHBondContact O-N 3.42Å; K1242-V1244 VanDerWaalsContact O-N 3.16Å | ||
| 1245 | L | 42.5 | Very low | 44.7 | Very low | 164 Ų | 164 | 138 Ų | 138 | 86% | 0.859 | 69% | 0.69 | S | S | * | * | trans | -65.7 | 131 | 172.7 | -85.1 | 150.3 | 0 | 0 | 0 | 110.7 | ||||
| 1246 | Q | 37.2 | Very low | 44.2 | Very low | 264 Ų | 264 | 142.5 Ų | 142.5 | 100% | 1.234 | 72% | 0.718 | S | S | * | * | trans | -139.6 | 0 | 173.4 | -174.3 | 174.6 | 13.4 | 0 | 0 | 110 |
Retrieved 1,246 of 1,246 residues in 245.9 ms
(Link to these results)