| 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 | 71.4 | Confident | 90.2 | Very high | 240 Ų | 240 | 95.3 Ų | 95.3 | 100% | 1.182 | 50% | 0.497 | S | S | * | . | 0 | 123.5 | 0 | -159.2 | -178.5 | -68.1 | 0 | 0 | 107.1 | |||||
| 2 | M | 84.8 | Confident | 90.6 | Very high | 112 Ų | 112 | 89 Ų | 89 | 55% | 0.552 | 46% | 0.464 | S | S | * | . | trans | -85.8 | 121.6 | -174.3 | -155.4 | 175.8 | -150.7 | 0 | 0 | 109.5 | H4 P11 L13 | M2-H4 PolarHBondContact O-CE1 2.97Å; M2-H4 PolarHBondContact O-ND1 3.47Å; M2-P11 HydrophobicContact CE-CB 3.7Å; M2-P11 HydrophobicContact CE-CG 4.17Å; M2-P11 HydrophobicContact CG-CB 3.83Å; M2-P11 HydrophobicContact SD-CB 3.52Å; M2-P11 VanDerWaalsContact SD-CB 3.52Å; M2-P11 HydrophobicContact SD-CG 4.21Å; M2-L13 HydrophobicContact CE-CD2 3.7Å | ||
| 3 | V | 92.3 | Very high | 90.8 | Very high | 70 Ų | 70 | 92.7 Ų | 92.7 | 42% | 0.424 | 48% | 0.484 | S | S | . | . | trans | -81.9 | 128.4 | -178.6 | -177.9 | 0 | 0 | 0 | 0 | 109 | I12 A24 | V3-I12 HydrophobicContact CG1-CD1 4.23Å; V3-I12 PolarHBondContact O-N 2.99Å; V3-A24 HydrophobicContact CG1-CB 3.17Å | ||
| 4 | H | 94.4 | Very high | 90.8 | Very high | 107 Ų | 107 | 92.1 Ų | 92.1 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | B | Isolated β-bridge | trans | -104.2 | 141.2 | -179.6 | -66.6 | 72.5 | 0 | 0 | 0 | 110.5 | M2 A6 | M2-H4 PolarHBondContact O-CE1 2.97Å; M2-H4 PolarHBondContact O-ND1 3.47Å; H4-A6 PolarHBondContact O-N 2.8Å |
| 5 | C | 94.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 100.9 Ų | 100.9 | 1% | 0.014 | 51% | 0.505 | C | S | . | . | trans | -72.2 | 124.1 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | G7 C8 E9 R10 I12 A24 H26 | C5-G7 PolarHBondContact O-N 3.03Å; C5-G7 VanDerWaalsContact O-N 3.15Å; C5-G7 PolarHBondContact SG-N 2.93Å; C5-G7 VanDerWaalsContact SG-N 3.39Å; C5-C8 VanDerWaalsContact CB-SG 3.57Å; C5-C8 PolarHBondContact O-N 2.89Å; C5-C8 VanDerWaalsContact SG-SG 3.61Å; C5-E9 WeakPolarHBondContact O-CA 3.49Å; C5-E9 PolarHBondContact O-N 3.36Å; C5-R10 PolarHBondContact N-O 3.17Å; C5-I12 HydrophobicContact CB-CD1 4.09Å; C5-I12 HydrophobicContact CB-CG1 3.82Å; C5-A24 CarbonylContact C-O 3.5Å; C5-A24 WeakPolarHBondContact CA-O 3.32Å; C5-H26 WeakPolarHBondContact CB-ND1 3.32Å; C5-H26 PolarHBondContact SG-N 3.33Å; C5-H26 VanDerWaalsContact SG-N 3.43Å; C5-H26 PolarHBondContact SG-ND1 2.99Å; C5-H26 VanDerWaalsContact SG-ND1 3.4Å | ||
| 6 | A | 91.6 | Very high | 90.8 | Very high | 32 Ų | 32 | 102.9 Ų | 102.9 | 26% | 0.264 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -14.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | H4 R23 A24 W25 | H4-A6 PolarHBondContact O-N 2.8Å; A6-R23 HydrophobicContact CB-CB 3.87Å; A6-R23 HydrophobicContact CB-CG 4.39Å; A6-A24 PolarHBondContact N-O 3.24Å; A6-W25 HydrophobicContact CB-CD2 4.08Å; A6-W25 HydrophobicContact CB-CH2 4.09Å; A6-W25 HydrophobicContact CB-CZ2 3.61Å |
| 7 | G | 90.2 | Very high | 90.9 | Very high | 44 Ų | 44 | 101.6 Ų | 101.6 | 45% | 0.454 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -30.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | C5 | C5-G7 PolarHBondContact O-N 3.03Å; C5-G7 VanDerWaalsContact O-N 3.15Å; C5-G7 PolarHBondContact SG-N 2.93Å; C5-G7 VanDerWaalsContact SG-N 3.39Å |
| 8 | C | 92.3 | Very high | 90.8 | Very high | 46 Ų | 46 | 98.5 Ų | 98.5 | 31% | 0.311 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | 0.4 | -177.2 | 68.6 | 0 | 0 | 0 | 0 | 114.1 | C5 R10 H26 C29 | C5-C8 VanDerWaalsContact CB-SG 3.57Å; C5-C8 PolarHBondContact O-N 2.89Å; C5-C8 VanDerWaalsContact SG-SG 3.61Å; C8-R10 PolarHBondContact O-N 3.46Å; C8-H26 PolarHBondContact SG-CE1 3.47Å; C8-H26 PolarHBondContact SG-ND1 3.24Å; C8-C29 VanDerWaalsContact SG-SG 3.69Å |
| 9 | E | 92.4 | Very high | 90.8 | Very high | 166 Ų | 166 | 98.1 Ų | 98.1 | 78% | 0.776 | 49% | 0.49 | S | S | * | . | trans | 60.8 | 5.3 | 176.4 | -58.5 | 176.9 | 178.9 | 0 | 0 | 115.2 | C5 | C5-E9 WeakPolarHBondContact O-CA 3.49Å; C5-E9 PolarHBondContact O-N 3.36Å | ||
| 10 | R | 93.9 | Very high | 90.8 | Very high | 181 Ų | 181 | 93.4 Ų | 93.4 | 68% | 0.683 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -85.6 | 151.2 | 175.8 | -65.7 | 177.3 | -167.9 | 178.7 | 1.4 | 111.1 | C5 C8 | C5-R10 PolarHBondContact N-O 3.17Å; C8-R10 PolarHBondContact O-N 3.46Å |
| 11 | P | 95.1 | Very high | 90.6 | Very high | 48 Ų | 48 | 91.8 Ų | 91.8 | 31% | 0.312 | 46% | 0.459 | S | S | . | . | B | Isolated β-bridge | trans | -61.8 | 138.1 | 173.4 | 26.9 | -34.8 | 0 | 0 | 0 | 110.6 | M2 L13 | M2-P11 HydrophobicContact CE-CB 3.7Å; M2-P11 HydrophobicContact CE-CG 4.17Å; M2-P11 HydrophobicContact CG-CB 3.83Å; M2-P11 HydrophobicContact SD-CB 3.52Å; M2-P11 VanDerWaalsContact SD-CB 3.52Å; M2-P11 HydrophobicContact SD-CG 4.21Å; P11-L13 PolarHBondContact O-N 2.92Å |
| 12 | I | 95.1 | Very high | 91.3 | Very high | 20 Ų | 20 | 87.5 Ų | 87.5 | 10% | 0.103 | 44% | 0.442 | C | S | . | . | trans | -83.5 | 111.8 | 177.6 | -56.5 | 177.4 | 0 | 0 | 0 | 108.4 | V3 C5 D14 L17 A24 | V3-I12 HydrophobicContact CG1-CD1 4.23Å; V3-I12 PolarHBondContact O-N 2.99Å; C5-I12 HydrophobicContact CB-CD1 4.09Å; C5-I12 HydrophobicContact CB-CG1 3.82Å; I12-D14 HydrophobicContact CG2-CB 4.19Å; I12-L17 HydrophobicContact CD1-CB 4.22Å; I12-L17 HydrophobicContact CD1-CD2 4.41Å; I12-L17 HydrophobicContact CG2-CB 4Å; I12-L17 HydrophobicContact CG2-CD2 4.39Å; I12-A24 HydrophobicContact CD1-CB 3.68Å | ||
| 13 | L | 93.3 | Very high | 91.6 | Very high | 137 Ų | 137 | 89 Ų | 89 | 72% | 0.717 | 44% | 0.441 | S | S | * | . | trans | -103.7 | -2.7 | 175.7 | -58.3 | 178.7 | 0 | 0 | 0 | 112.5 | M2 P11 | M2-L13 HydrophobicContact CE-CD2 3.7Å; P11-L13 PolarHBondContact O-N 2.92Å | ||
| 14 | D | 90 | Very high | 91.6 | Very high | 84 Ų | 84 | 86.3 Ų | 86.3 | 45% | 0.449 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -67.5 | 147.5 | -178.7 | -68.9 | -17.1 | 0 | 0 | 0 | 111 | I12 F16 H26 | I12-D14 HydrophobicContact CG2-CB 4.19Å; D14-F16 WeakPolarHBondContact CB-O 3.16Å; D14-F16 PolarHBondContact O-N 3.47Å; D14-H26 IonicContact OD2-CD2 2.75Å; D14-H26 PolarHBondContact OD2-CD2 2.98Å; D14-H26 VanDerWaalsContact OD2-CD2 3.3Å |
| 15 | R | 91.4 | Very high | 91.6 | Very high | 224 Ų | 224 | 82 Ų | 82 | 85% | 0.845 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -59 | -29.9 | 174 | -179.6 | 175 | 177.3 | 162.9 | 1.4 | 112.6 | ||
| 16 | F | 90.4 | Very high | 91.5 | Very high | 134 Ų | 134 | 83 Ų | 83 | 59% | 0.588 | 41% | 0.41 | S | S | * | . | trans | -130.6 | 138.8 | -177.7 | -57.8 | -71.5 | 0 | 0 | 0 | 109.6 | D14 I27 | D14-F16 WeakPolarHBondContact CB-O 3.16Å; D14-F16 PolarHBondContact O-N 3.47Å; F16-I27 HydrophobicContact CB-CD1 4.06Å | ||
| 17 | L | 92 | Very high | 91.5 | Very high | 80 Ų | 80 | 85.6 Ų | 85.6 | 42% | 0.419 | 42% | 0.418 | S | S | . | . | trans | -129.9 | 160.2 | 175.5 | 67.3 | 81.7 | 0 | 0 | 0 | 109.7 | I12 A24 | I12-L17 HydrophobicContact CD1-CB 4.22Å; I12-L17 HydrophobicContact CD1-CD2 4.41Å; I12-L17 HydrophobicContact CG2-CB 4Å; I12-L17 HydrophobicContact CG2-CD2 4.39Å; L17-A24 HydrophobicContact CD1-CB 4.23Å | ||
| 18 | L | 90.5 | Very high | 91.5 | Very high | 46 Ų | 46 | 91.6 Ų | 91.6 | 24% | 0.241 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 135.1 | 173.6 | -64.7 | 175.9 | 0 | 0 | 0 | 109.3 | A24 W25 I27 V30 V401 | L18-A24 CarbonylContact O-C 3.58Å; L18-W25 PolarHBondContact N-O 2.85Å; L18-W25 PolarHBondContact O-N 3.04Å; L18-I27 HydrophobicContact CD1-CB 4.49Å; L18-I27 HydrophobicContact CD1-CG1 4.29Å; L18-I27 HydrophobicContact CG-CG1 4.1Å; L18-V30 HydrophobicContact CB-CG2 4.03Å; L18-V30 HydrophobicContact CD1-CB 4.12Å; L18-V30 HydrophobicContact CD1-CG2 3.74Å; L18-V30 HydrophobicContact CG-CG2 4.5Å; L18-V401 HydrophobicContact CD2-CG1 4.36Å |
| 19 | N | 90.6 | Very high | 91.5 | Very high | 90 Ų | 90 | 90.8 Ų | 90.8 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 118.2 | 172.6 | -162.4 | 38.2 | 0 | 0 | 0 | 109.1 | R23 | N19-R23 WeakPolarHBondContact CA-O 3.13Å; N19-R23 PolarHBondContact OD1-N 2.8Å; N19-R23 PolarHBondContact OD1-O 2.69Å |
| 20 | V | 89.3 | Confident | 91.6 | Very high | 4 Ų | 4 | 83 Ų | 83 | 2% | 0.024 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 115.5 | -179.7 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | D22 R23 V30 C43 L50 V401 | V20-D22 VanDerWaalsContact C-N 3.33Å; V20-D22 PolarHBondContact O-N 2.67Å; V20-R23 PolarHBondContact N-O 2.93Å; V20-R23 PolarHBondContact O-N 2.99Å; V20-V30 HydrophobicContact CG2-CG1 4.47Å; V20-V30 HydrophobicContact CG2-CG2 4.43Å; V20-C43 WeakPolarHBondContact CG1-SG 3.11Å; V20-L50 HydrophobicContact CG1-CD2 3.97Å; V20-V401 HydrophobicContact CG2-CG2 4.02Å |
| 21 | L | 87.3 | Confident | 91.6 | Very high | 60 Ų | 60 | 77.9 Ų | 77.9 | 31% | 0.314 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 51.1 | -176.7 | -62 | 169.2 | 0 | 0 | 0 | 112.2 | R23 A399 | L21-R23 PolarHBondContact O-N 3.49Å; L21-R23 VanDerWaalsContact O-N 3.1Å; L21-A399 HydrophobicContact CD2-CB 3.6Å; L21-A399 HydrophobicContact CG-CB 4.02Å |
| 22 | D | 86.3 | Confident | 91.6 | Very high | 151 Ų | 151 | 75.6 Ų | 75.6 | 81% | 0.807 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 19.4 | 178.8 | -51.5 | -44.4 | 0 | 0 | 0 | 115.3 | V20 | V20-D22 VanDerWaalsContact C-N 3.33Å; V20-D22 PolarHBondContact O-N 2.67Å |
| 23 | R | 90.4 | Very high | 91.4 | Very high | 143 Ų | 143 | 76.1 Ų | 76.1 | 54% | 0.54 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138 | 172.4 | -68.3 | -179.8 | 168.9 | -137.7 | -3.5 | 109.8 | A6 N19 V20 L21 W25 | A6-R23 HydrophobicContact CB-CB 3.87Å; A6-R23 HydrophobicContact CB-CG 4.39Å; N19-R23 WeakPolarHBondContact CA-O 3.13Å; N19-R23 PolarHBondContact OD1-N 2.8Å; N19-R23 PolarHBondContact OD1-O 2.69Å; V20-R23 PolarHBondContact N-O 2.93Å; V20-R23 PolarHBondContact O-N 2.99Å; L21-R23 PolarHBondContact O-N 3.49Å; L21-R23 VanDerWaalsContact O-N 3.1Å; R23-W25 PolarHBondContact O-NE1 3.05Å |
| 24 | A | 92.8 | Very high | 91.3 | Very high | 13 Ų | 13 | 73.2 Ų | 73.2 | 11% | 0.107 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 141.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V3 C5 A6 I12 L17 L18 | V3-A24 HydrophobicContact CG1-CB 3.17Å; C5-A24 CarbonylContact C-O 3.5Å; C5-A24 WeakPolarHBondContact CA-O 3.32Å; A6-A24 PolarHBondContact N-O 3.24Å; I12-A24 HydrophobicContact CD1-CB 3.68Å; L17-A24 HydrophobicContact CD1-CB 4.23Å; L18-A24 CarbonylContact O-C 3.58Å |
| 25 | W | 93.7 | Very high | 91.3 | Very high | 16 Ų | 16 | 71.9 Ų | 71.9 | 6% | 0.061 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 147.6 | -179.6 | -58.9 | 77.3 | 0 | 0 | 0 | 110.5 | A6 L18 R23 C29 V30 L50 | A6-W25 HydrophobicContact CB-CD2 4.08Å; A6-W25 HydrophobicContact CB-CH2 4.09Å; A6-W25 HydrophobicContact CB-CZ2 3.61Å; L18-W25 PolarHBondContact N-O 2.85Å; L18-W25 PolarHBondContact O-N 3.04Å; R23-W25 PolarHBondContact O-NE1 3.05Å; W25-C29 HydrophobicContact CE3-CB 4.38Å; W25-V30 HydrophobicContact CB-CG2 3.36Å; W25-V30 HydrophobicContact CD2-CG2 4.43Å; W25-V30 HydrophobicContact CG-CG2 3.89Å; W25-L50 HydrophobicContact CD2-CD1 4.17Å; W25-L50 HydrophobicContact CE3-CD1 4.09Å; W25-L50 HydrophobicContact CH2-CD1 4.02Å; W25-L50 HydrophobicContact CH2-CG 4Å; W25-L50 HydrophobicContact CZ2-CD1 4.06Å; W25-L50 HydrophobicContact CZ2-CG 4.15Å; W25-L50 HydrophobicContact CZ3-CD1 4Å; W25-L50 HydrophobicContact CZ3-CG 4.37Å |
| 26 | H | 93.5 | Very high | 91.3 | Very high | 25 Ų | 25 | 67 Ų | 67 | 12% | 0.116 | 33% | 0.329 | C | S | . | . | trans | -64.6 | 146.3 | 161.4 | -60.3 | 113.9 | 0 | 0 | 0 | 109.9 | C5 C8 D14 K28 C29 V30 | C5-H26 WeakPolarHBondContact CB-ND1 3.32Å; C5-H26 PolarHBondContact SG-N 3.33Å; C5-H26 VanDerWaalsContact SG-N 3.43Å; C5-H26 PolarHBondContact SG-ND1 2.99Å; C5-H26 VanDerWaalsContact SG-ND1 3.4Å; C8-H26 PolarHBondContact SG-CE1 3.47Å; C8-H26 PolarHBondContact SG-ND1 3.24Å; D14-H26 IonicContact OD2-CD2 2.75Å; D14-H26 PolarHBondContact OD2-CD2 2.98Å; D14-H26 VanDerWaalsContact OD2-CD2 3.3Å; H26-K28 PolarHBondContact O-N 3.4Å; H26-K28 VanDerWaalsContact O-N 3.13Å; H26-C29 HydrophobicContact CB-CB 3.91Å; H26-C29 WeakPolarHBondContact O-CA 3.41Å; H26-C29 PolarHBondContact O-N 3.28Å; H26-V30 PolarHBondContact O-N 3.33Å | ||
| 27 | I | 91.1 | Very high | 91.4 | Very high | 86 Ų | 86 | 64.5 Ų | 64.5 | 44% | 0.441 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -39.3 | 174.7 | -63.3 | 169.7 | 0 | 0 | 0 | 111.1 | F16 L18 | F16-I27 HydrophobicContact CB-CD1 4.06Å; L18-I27 HydrophobicContact CD1-CB 4.49Å; L18-I27 HydrophobicContact CD1-CG1 4.29Å; L18-I27 HydrophobicContact CG-CG1 4.1Å |
| 28 | K | 90.8 | Very high | 91.4 | Very high | 170 Ų | 170 | 65.1 Ų | 65.1 | 74% | 0.739 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -25.8 | 177.6 | -63.2 | 179.5 | -178 | 174.3 | 0 | 113.7 | H26 | H26-K28 PolarHBondContact O-N 3.4Å; H26-K28 VanDerWaalsContact O-N 3.13Å |
| 29 | C | 92.7 | Very high | 91.5 | Very high | 29 Ų | 29 | 63.8 Ų | 63.8 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -16.4 | -179.1 | -69.3 | 0 | 0 | 0 | 0 | 113 | C8 W25 H26 Q31 | C8-C29 VanDerWaalsContact SG-SG 3.69Å; W25-C29 HydrophobicContact CE3-CB 4.38Å; H26-C29 HydrophobicContact CB-CB 3.91Å; H26-C29 WeakPolarHBondContact O-CA 3.41Å; H26-C29 PolarHBondContact O-N 3.28Å; C29-Q31 VanDerWaalsContact C-N 3.26Å; C29-Q31 PolarHBondContact O-N 2.71Å |
| 30 | V | 93.2 | Very high | 91.2 | Very high | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | trans | -76.8 | 81 | 172 | -173 | 0 | 0 | 0 | 0 | 109.3 | L18 V20 W25 H26 N38 L39 L50 | L18-V30 HydrophobicContact CB-CG2 4.03Å; L18-V30 HydrophobicContact CD1-CB 4.12Å; L18-V30 HydrophobicContact CD1-CG2 3.74Å; L18-V30 HydrophobicContact CG-CG2 4.5Å; V20-V30 HydrophobicContact CG2-CG1 4.47Å; V20-V30 HydrophobicContact CG2-CG2 4.43Å; W25-V30 HydrophobicContact CB-CG2 3.36Å; W25-V30 HydrophobicContact CD2-CG2 4.43Å; W25-V30 HydrophobicContact CG-CG2 3.89Å; H26-V30 PolarHBondContact O-N 3.33Å; V30-N38 WeakPolarHBondContact O-CA 3.37Å; V30-L39 HydrophobicContact CG1-CB 4.07Å; V30-L39 WeakPolarHBondContact CG1-O 3.38Å; V30-L39 PolarHBondContact O-N 3.37Å; V30-L50 HydrophobicContact CB-CD1 4.5Å; V30-L50 HydrophobicContact CG1-CD1 3.9Å | ||
| 31 | Q | 94.6 | Very high | 90.8 | Very high | 73 Ų | 73 | 71.3 Ų | 71.3 | 34% | 0.341 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -136.6 | 151.4 | -179.2 | 64 | -176.6 | 15.4 | 0 | 0 | 110.8 | C29 C33 T37 | C29-Q31 VanDerWaalsContact C-N 3.26Å; C29-Q31 PolarHBondContact O-N 2.71Å; Q31-C33 PolarHBondContact O-N 3.41Å; Q31-T37 CarbonylContact C-O 3.45Å; Q31-T37 VanDerWaalsContact CA-O 3.29Å; Q31-T37 WeakPolarHBondContact CA-O 3.26Å |
| 32 | C | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.374 | C | S | . | . | trans | -62.8 | 132 | 175.2 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | E34 C35 K36 T37 L39 L50 C52 D55 | C32-E34 PolarHBondContact O-N 3.19Å; C32-E34 PolarHBondContact SG-N 2.81Å; C32-C35 WeakPolarHBondContact CB-SG 3.36Å; C32-K36 WeakPolarHBondContact O-CA 3.37Å; C32-K36 PolarHBondContact O-N 2.8Å; C32-T37 PolarHBondContact N-O 2.97Å; C32-L39 HydrophobicContact CB-CD2 4.2Å; C32-L50 CarbonylContact C-O 3.58Å; C32-L50 WeakPolarHBondContact CA-O 3.19Å; C32-C52 HydrophobicContact CB-CB 4.02Å; C32-C52 PolarHBondContact SG-N 3.31Å; C32-D55 PolarHBondContact SG-OD2 3.22Å | ||
| 33 | C | 92.1 | Very high | 91 | Very high | 31 Ų | 31 | 67 Ų | 67 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -24.2 | -179.4 | 65 | 0 | 0 | 0 | 0 | 113.7 | Q31 K36 K49 L50 Y51 | Q31-C33 PolarHBondContact O-N 3.41Å; C33-K36 WeakPolarHBondContact O-CE 3.33Å; C33-K36 PolarHBondContact O-NZ 3.35Å; C33-K49 HydrophobicContact CB-CB 4.38Å; C33-L50 PolarHBondContact N-O 2.71Å; C33-L50 PolarHBondContact SG-O 3Å; C33-L50 VanDerWaalsContact SG-O 3.41Å; C33-Y51 WeakPolarHBondContact SG-CD1 3.33Å; C33-Y51 WeakPolarHBondContact SG-CE1 3.43Å |
| 34 | E | 90.2 | Very high | 91 | Very high | 76 Ų | 76 | 61 Ų | 61 | 36% | 0.355 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -68.3 | 178.8 | -61.8 | -65 | 141.6 | 0 | 0 | 111.8 | C32 K36 Y51 D55 R59 | C32-E34 PolarHBondContact O-N 3.19Å; C32-E34 PolarHBondContact SG-N 2.81Å; E34-K36 PolarHBondContact O-N 3.26Å; E34-Y51 HydrophobicContact CG-CD1 4.03Å; E34-Y51 HydrophobicContact CG-CE1 3.93Å; E34-D55 HydrophobicContact CB-CB 4.06Å; E34-D55 HydrophobicContact CG-CB 4.16Å; E34-R59 IonicContact OE1-CZ 2.69Å; E34-R59 IonicContact OE1-NE 2.9Å; E34-R59 PolarHBondContact OE1-NE 3.38Å; E34-R59 IonicContact OE1-NH1 2.74Å; E34-R59 IonicContact OE1-NH2 3.66Å; E34-R59 PolarHBondContact OE1-NH2 3Å; E34-R59 IonicContact OE2-CZ 2.67Å; E34-R59 VanDerWaalsContact OE2-CZ 3.24Å; E34-R59 IonicContact OE2-NE 3.24Å; E34-R59 PolarHBondContact OE2-NE 3.32Å; E34-R59 IonicContact OE2-NH2 3.79Å; E34-R59 PolarHBondContact OE2-NH2 3.42Å |
| 35 | C | 91.8 | Very high | 90.9 | Very high | 57 Ų | 57 | 62.2 Ų | 62.2 | 39% | 0.385 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2.8 | -176.1 | 63.9 | 0 | 0 | 0 | 0 | 115 | C32 T37 D55 | C32-C35 WeakPolarHBondContact CB-SG 3.36Å; C35-T37 PolarHBondContact O-N 3.15Å; C35-T37 PolarHBondContact SG-OG1 3.09Å; C35-T37 VanDerWaalsContact SG-OG1 3.34Å; C35-D55 WeakPolarHBondContact CB-OD2 3.44Å; C35-D55 PolarHBondContact N-OD2 3.39Å; C35-D55 PolarHBondContact SG-OD2 2.8Å |
| 36 | K | 91.3 | Very high | 90.7 | Very high | 121 Ų | 121 | 66.1 Ų | 66.1 | 53% | 0.526 | 34% | 0.337 | S | S | . | . | trans | 55.3 | 15.9 | -177.3 | -52.9 | -54.1 | -170.7 | -165 | 0 | 115.2 | C32 C33 E34 | C32-K36 WeakPolarHBondContact O-CA 3.37Å; C32-K36 PolarHBondContact O-N 2.8Å; C33-K36 WeakPolarHBondContact O-CE 3.33Å; C33-K36 PolarHBondContact O-NZ 3.35Å; E34-K36 PolarHBondContact O-N 3.26Å | ||
| 37 | T | 91.9 | Very high | 90.4 | Very high | 82 Ų | 82 | 72 Ų | 72 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | trans | -74.8 | 134.4 | 176.9 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | Q31 C32 C35 L39 | Q31-T37 CarbonylContact C-O 3.45Å; Q31-T37 VanDerWaalsContact CA-O 3.29Å; Q31-T37 WeakPolarHBondContact CA-O 3.26Å; C32-T37 PolarHBondContact N-O 2.97Å; C35-T37 PolarHBondContact O-N 3.15Å; C35-T37 PolarHBondContact SG-OG1 3.09Å; C35-T37 VanDerWaalsContact SG-OG1 3.34Å; T37-L39 PolarHBondContact O-N 2.92Å | ||
| 38 | N | 92.5 | Very high | 90.1 | Very high | 92 Ų | 92 | 70 Ų | 70 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -60.3 | 133.6 | 173.7 | -72.8 | 86.5 | 0 | 0 | 0 | 110.9 | V30 | V30-N38 WeakPolarHBondContact O-CA 3.37Å |
| 39 | L | 92.4 | Very high | 90.1 | Very high | 19 Ų | 19 | 67.1 Ų | 67.1 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | trans | -101.4 | 106.6 | 179.7 | -49.7 | 170 | 0 | 0 | 0 | 107.6 | V30 C32 T37 C43 L50 C52 | V30-L39 HydrophobicContact CG1-CB 4.07Å; V30-L39 WeakPolarHBondContact CG1-O 3.38Å; V30-L39 PolarHBondContact O-N 3.37Å; C32-L39 HydrophobicContact CB-CD2 4.2Å; T37-L39 PolarHBondContact O-N 2.92Å; L39-C43 HydrophobicContact CB-CB 4Å; L39-C43 HydrophobicContact CD1-CB 3.46Å; L39-C43 VanDerWaalsContact CD1-CB 3.46Å; L39-C43 HydrophobicContact CG-CB 4.29Å; L39-L50 HydrophobicContact CD1-CB 3.9Å; L39-C52 HydrophobicContact CD2-CB 3.65Å | ||
| 40 | S | 82.8 | Confident | 90.1 | Very high | 103 Ų | 103 | 66 Ų | 66 | 72% | 0.72 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -96.1 | -31.5 | -174.5 | 55 | 0 | 0 | 0 | 0 | 114.2 | ||
| 41 | E | 81.4 | Confident | 90 | Very high | 149 Ų | 149 | 66.2 Ų | 66.2 | 70% | 0.696 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -115.6 | -61.9 | -173 | -65.1 | 178 | -174 | 0 | 0 | 112.3 | ||
| 42 | K | 86.4 | Confident | 89.9 | Confident | 115 Ų | 115 | 63.8 Ų | 63.8 | 50% | 0.5 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 135.8 | -178.7 | -65.5 | -169 | 172.7 | -156 | 0 | 110.5 | E398 | K42-E398 IonicContact NZ-OE1 2.71Å; K42-E398 PolarHBondContact NZ-OE1 3.22Å |
| 43 | C | 90.8 | Very high | 89.6 | Confident | 5 Ų | 5 | 69.5 Ų | 69.5 | 3% | 0.034 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 153.7 | 173.6 | 65.1 | 0 | 0 | 0 | 0 | 110.2 | V20 L39 | V20-C43 WeakPolarHBondContact CG1-SG 3.11Å; L39-C43 HydrophobicContact CB-CB 4Å; L39-C43 HydrophobicContact CD1-CB 3.46Å; L39-C43 VanDerWaalsContact CD1-CB 3.46Å; L39-C43 HydrophobicContact CG-CB 4.29Å |
| 44 | F | 90.8 | Very high | 89.4 | Confident | 18 Ų | 18 | 71.2 Ų | 71.2 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.6 | 174.3 | -66.3 | -95.4 | 0 | 0 | 0 | 107.8 | L50 Y51 K53 F56 F57 | F44-L50 CarbonylContact O-C 3.57Å; F44-Y51 PolarHBondContact N-O 3.09Å; F44-Y51 PolarHBondContact O-N 2.84Å; F44-K53 HydrophobicContact CD2-CB 4.29Å; F44-K53 HydrophobicContact CE2-CB 3.65Å; F44-K53 HydrophobicContact CE2-CG 3.83Å; F44-K53 HydrophobicContact CZ-CG 4.22Å; F44-F56 HydrophobicContact CB-CB 3.83Å; F44-F56 HydrophobicContact CB-CD1 4.09Å; F44-F56 HydrophobicContact CB-CD2 3.45Å; F44-F56 VanDerWaalsContact CB-CD2 3.45Å; F44-F56 HydrophobicContact CB-CE2 3.97Å; F44-F56 HydrophobicContact CB-CG 3.51Å; F44-F56 HydrophobicContact CB-CZ 4.49Å; F44-F56 AromaticContact CD1-CD1 3.74Å; F44-F56 HydrophobicContact CD1-CD1 3.74Å; F44-F56 AromaticContact CD1-CE1 3.93Å; F44-F56 HydrophobicContact CD1-CE1 3.93Å; F44-F56 HydrophobicContact CD1-CG 4.06Å; F44-F56 HydrophobicContact CD1-CZ 4.39Å; F44-F56 HydrophobicContact CD2-CB 4.31Å; F44-F56 HydrophobicContact CE1-CD1 4.41Å; F44-F56 HydrophobicContact CG-CB 4.02Å; F44-F56 AromaticContact CG-CD1 3.93Å; F44-F56 HydrophobicContact CG-CD1 3.93Å; F44-F56 HydrophobicContact CG-CD2 4.21Å; F44-F56 HydrophobicContact CG-CE1 4.47Å; F44-F56 AromaticContact CG-CG 3.78Å; F44-F56 HydrophobicContact CG-CG 3.78Å; F44-F57 HydrophobicContact CE1-CE2 4.17Å; F44-F57 HydrophobicContact CZ-CE2 4.04Å |
| 45 | S | 91.4 | Very high | 89.3 | Confident | 38 Ų | 38 | 68.2 Ų | 68.2 | 27% | 0.266 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.3 | 176.3 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | K49 | S45-K49 WeakPolarHBondContact CA-O 3.33Å |
| 46 | R | 89.7 | Confident | 89.2 | Confident | 97 Ų | 97 | 66.2 Ų | 66.2 | 37% | 0.366 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 131.8 | 168.8 | -172.2 | 159.9 | 174 | 123.1 | -2.4 | 109.1 | G48 K49 Y51 F56 | R46-G48 PolarHBondContact O-N 3.04Å; R46-K49 PolarHBondContact N-O 3.13Å; R46-K49 PolarHBondContact O-N 3.2Å; R46-Y51 HydrophobicContact CB-CD2 4.48Å; R46-Y51 HydrophobicContact CB-CE2 4.14Å; R46-F56 HydrophobicContact CB-CE2 4.14Å |
| 47 | E | 87.8 | Confident | 89 | Confident | 150 Ų | 150 | 63 Ų | 63 | 70% | 0.701 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 37 | 179.9 | -62.1 | 162.8 | -155.2 | 0 | 0 | 113 | K49 | E47-K49 PolarHBondContact O-N 2.97Š|
| 48 | G | 84.4 | Confident | 88.7 | Confident | 42 Ų | 42 | 65.2 Ų | 65.2 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | R46 | R46-G48 PolarHBondContact O-N 3.04Š|
| 49 | K | 89.8 | Confident | 88.3 | Confident | 110 Ų | 110 | 66.7 Ų | 66.7 | 48% | 0.478 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.7 | 176 | -65.7 | 173.2 | -175.5 | 168.1 | 0 | 110.8 | C33 S45 R46 E47 Y51 | C33-K49 HydrophobicContact CB-CB 4.38Å; S45-K49 WeakPolarHBondContact CA-O 3.33Å; R46-K49 PolarHBondContact N-O 3.13Å; R46-K49 PolarHBondContact O-N 3.2Å; E47-K49 PolarHBondContact O-N 2.97Å; K49-Y51 HydrophobicContact CB-CE2 3.7Å; K49-Y51 WeakPolarHBondContact O-CD2 3.47Å; K49-Y51 WeakPolarHBondContact O-CE2 3.06Å |
| 50 | L | 92.8 | Very high | 88 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 139.1 | 175.7 | -58.9 | -179.8 | 0 | 0 | 0 | 111 | V20 W25 V30 C32 C33 L39 F44 | V20-L50 HydrophobicContact CG1-CD2 3.97Å; W25-L50 HydrophobicContact CD2-CD1 4.17Å; W25-L50 HydrophobicContact CE3-CD1 4.09Å; W25-L50 HydrophobicContact CH2-CD1 4.02Å; W25-L50 HydrophobicContact CH2-CG 4Å; W25-L50 HydrophobicContact CZ2-CD1 4.06Å; W25-L50 HydrophobicContact CZ2-CG 4.15Å; W25-L50 HydrophobicContact CZ3-CD1 4Å; W25-L50 HydrophobicContact CZ3-CG 4.37Å; V30-L50 HydrophobicContact CB-CD1 4.5Å; V30-L50 HydrophobicContact CG1-CD1 3.9Å; C32-L50 CarbonylContact C-O 3.58Å; C32-L50 WeakPolarHBondContact CA-O 3.19Å; C33-L50 PolarHBondContact N-O 2.71Å; C33-L50 PolarHBondContact SG-O 3Å; C33-L50 VanDerWaalsContact SG-O 3.41Å; L39-L50 HydrophobicContact CD1-CB 3.9Å; F44-L50 CarbonylContact O-C 3.57Å |
| 51 | Y | 92.3 | Very high | 88.3 | Confident | 8 Ų | 8 | 65.1 Ų | 65.1 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 145 | -179.8 | -63.3 | -92.9 | 0 | 0 | 0 | 110.2 | C33 E34 F44 R46 K49 F56 F60 | C33-Y51 WeakPolarHBondContact SG-CD1 3.33Å; C33-Y51 WeakPolarHBondContact SG-CE1 3.43Å; E34-Y51 HydrophobicContact CG-CD1 4.03Å; E34-Y51 HydrophobicContact CG-CE1 3.93Å; F44-Y51 PolarHBondContact N-O 3.09Å; F44-Y51 PolarHBondContact O-N 2.84Å; R46-Y51 HydrophobicContact CB-CD2 4.48Å; R46-Y51 HydrophobicContact CB-CE2 4.14Å; K49-Y51 HydrophobicContact CB-CE2 3.7Å; K49-Y51 WeakPolarHBondContact O-CD2 3.47Å; K49-Y51 WeakPolarHBondContact O-CE2 3.06Å; Y51-F56 HydrophobicContact CD2-CD2 4.3Å; Y51-F56 HydrophobicContact CG-CD2 4.36Å; Y51-F60 HydrophobicContact CD1-CE2 4.29Å; Y51-F60 HydrophobicContact CD2-CE2 4.29Å; Y51-F60 AromaticContact CE1-CE2 3.9Å; Y51-F60 HydrophobicContact CE1-CE2 3.9Å; Y51-F60 HydrophobicContact CE1-CZ 4.38Å; Y51-F60 AromaticContact CE2-CE2 3.91Å; Y51-F60 HydrophobicContact CE2-CE2 3.91Å; Y51-F60 HydrophobicContact CE2-CZ 4.37Å; Y51-F60 HydrophobicContact CG-CE2 4.48Å; Y51-F60 AromaticContact CZ-CE2 3.73Å; Y51-F60 AromaticContact CZ-CZ 3.98Å |
| 52 | C | 91.4 | Very high | 88.7 | Confident | 21 Ų | 21 | 62.2 Ų | 62.2 | 14% | 0.142 | 30% | 0.3 | C | S | . | . | trans | -71.4 | 160.1 | 165 | 79.9 | 0 | 0 | 0 | 0 | 109.4 | C32 L39 N54 D55 F56 | C32-C52 HydrophobicContact CB-CB 4.02Å; C32-C52 PolarHBondContact SG-N 3.31Å; L39-C52 HydrophobicContact CD2-CB 3.65Å; C52-N54 VanDerWaalsContact C-N 3.26Å; C52-N54 PolarHBondContact O-N 3.47Å; C52-D55 PolarHBondContact O-N 3.36Å; C52-D55 PolarHBondContact SG-N 3.02Å; C52-D55 PolarHBondContact SG-OD2 3.18Å; C52-F56 VanDerWaalsContact O-CB 3.31Å; C52-F56 WeakPolarHBondContact O-CB 3.13Å; C52-F56 PolarHBondContact O-N 2.87Å | ||
| 53 | K | 87.6 | Confident | 89 | Confident | 120 Ų | 120 | 62.5 Ų | 62.5 | 52% | 0.522 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -48.6 | -50 | 176.6 | -172.8 | 175.5 | 178.8 | 176.2 | 0 | 111.6 | F44 F57 | F44-K53 HydrophobicContact CD2-CB 4.29Å; F44-K53 HydrophobicContact CE2-CB 3.65Å; F44-K53 HydrophobicContact CE2-CG 3.83Å; F44-K53 HydrophobicContact CZ-CG 4.22Å; K53-F57 HydrophobicContact CG-CD2 3.95Å; K53-F57 HydrophobicContact CG-CE2 3.99Å; K53-F57 WeakPolarHBondContact O-CD2 3.21Å; K53-F57 PolarHBondContact O-N 2.73Å; K53-F57 VanDerWaalsContact O-N 3.16Å |
| 54 | N | 86.9 | Confident | 89.1 | Confident | 67 Ų | 67 | 62.3 Ų | 62.3 | 36% | 0.358 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.9 | -48.1 | -174.6 | -161.9 | 22.5 | 0 | 0 | 0 | 112.4 | C52 F57 R58 | C52-N54 VanDerWaalsContact C-N 3.26Å; C52-N54 PolarHBondContact O-N 3.47Å; N54-F57 PolarHBondContact O-N 3.14Å; N54-R58 PolarHBondContact ND2-NH2 3.27Å; N54-R58 VanDerWaalsContact ND2-NH2 3.19Å; N54-R58 VanDerWaalsContact O-CB 3.23Å; N54-R58 WeakPolarHBondContact O-CB 3.36Å; N54-R58 PolarHBondContact O-N 2.83Å |
| 55 | D | 88.6 | Confident | 89.1 | Confident | 14 Ų | 14 | 62.9 Ų | 62.9 | 8% | 0.075 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.5 | -32.9 | -176.6 | -64.9 | -29.9 | 0 | 0 | 0 | 112.3 | C32 E34 C35 C52 R58 R59 | C32-D55 PolarHBondContact SG-OD2 3.22Å; E34-D55 HydrophobicContact CB-CB 4.06Å; E34-D55 HydrophobicContact CG-CB 4.16Å; C35-D55 WeakPolarHBondContact CB-OD2 3.44Å; C35-D55 PolarHBondContact N-OD2 3.39Å; C35-D55 PolarHBondContact SG-OD2 2.8Å; C52-D55 PolarHBondContact O-N 3.36Å; C52-D55 PolarHBondContact SG-N 3.02Å; C52-D55 PolarHBondContact SG-OD2 3.18Å; D55-R58 PolarHBondContact O-N 2.91Å; D55-R58 IonicContact OD1-CZ 3.9Å; D55-R58 IonicContact OD1-NH2 2.79Å; D55-R59 WeakPolarHBondContact O-CB 3.46Å; D55-R59 PolarHBondContact O-N 3.36Å |
| 56 | F | 90.5 | Very high | 89.1 | Confident | 14 Ų | 14 | 63.2 Ų | 63.2 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.9 | -53.3 | 173.2 | -176 | -97.5 | 0 | 0 | 0 | 111 | F44 R46 Y51 C52 R58 R59 F60 L396 | F44-F56 HydrophobicContact CB-CB 3.83Å; F44-F56 HydrophobicContact CB-CD1 4.09Å; F44-F56 HydrophobicContact CB-CD2 3.45Å; F44-F56 VanDerWaalsContact CB-CD2 3.45Å; F44-F56 HydrophobicContact CB-CE2 3.97Å; F44-F56 HydrophobicContact CB-CG 3.51Å; F44-F56 HydrophobicContact CB-CZ 4.49Å; F44-F56 AromaticContact CD1-CD1 3.74Å; F44-F56 HydrophobicContact CD1-CD1 3.74Å; F44-F56 AromaticContact CD1-CE1 3.93Å; F44-F56 HydrophobicContact CD1-CE1 3.93Å; F44-F56 HydrophobicContact CD1-CG 4.06Å; F44-F56 HydrophobicContact CD1-CZ 4.39Å; F44-F56 HydrophobicContact CD2-CB 4.31Å; F44-F56 HydrophobicContact CE1-CD1 4.41Å; F44-F56 HydrophobicContact CG-CB 4.02Å; F44-F56 AromaticContact CG-CD1 3.93Å; F44-F56 HydrophobicContact CG-CD1 3.93Å; F44-F56 HydrophobicContact CG-CD2 4.21Å; F44-F56 HydrophobicContact CG-CE1 4.47Å; F44-F56 AromaticContact CG-CG 3.78Å; F44-F56 HydrophobicContact CG-CG 3.78Å; R46-F56 HydrophobicContact CB-CE2 4.14Å; Y51-F56 HydrophobicContact CD2-CD2 4.3Å; Y51-F56 HydrophobicContact CG-CD2 4.36Å; C52-F56 VanDerWaalsContact O-CB 3.31Å; C52-F56 WeakPolarHBondContact O-CB 3.13Å; C52-F56 PolarHBondContact O-N 2.87Å; F56-R58 VanDerWaalsContact C-N 3.32Å; F56-R58 PolarHBondContact O-N 2.8Å; F56-R59 PolarHBondContact O-N 3.49Å; F56-F60 AromaticContact CD2-CD2 3.7Å; F56-F60 HydrophobicContact CD2-CD2 3.7Å; F56-F60 HydrophobicContact CD2-CE2 4.24Å; F56-F60 AromaticContact CE2-CD2 3.89Å; F56-F60 HydrophobicContact CE2-CD2 3.89Å; F56-F60 HydrophobicContact CG-CD2 4.29Å; F56-F60 WeakPolarHBondContact O-CB 3.31Å; F56-F60 WeakPolarHBondContact O-CD2 3.39Å; F56-F60 PolarHBondContact O-N 2.74Å; F56-L396 HydrophobicContact CE1-CD2 4.4Å |
| 57 | F | 87.3 | Confident | 89.2 | Confident | 55 Ų | 55 | 60.9 Ų | 60.9 | 24% | 0.241 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.3 | -30.6 | 178.6 | -77.2 | -76.6 | 0 | 0 | 0 | 112.6 | F44 K53 N54 R59 G61 P73 | F44-F57 HydrophobicContact CE1-CE2 4.17Å; F44-F57 HydrophobicContact CZ-CE2 4.04Å; K53-F57 HydrophobicContact CG-CD2 3.95Å; K53-F57 HydrophobicContact CG-CE2 3.99Å; K53-F57 WeakPolarHBondContact O-CD2 3.21Å; K53-F57 PolarHBondContact O-N 2.73Å; K53-F57 VanDerWaalsContact O-N 3.16Å; N54-F57 PolarHBondContact O-N 3.14Å; F57-R59 VanDerWaalsContact C-N 3.35Å; F57-R59 PolarHBondContact O-N 3.09Å; F57-G61 WeakPolarHBondContact O-CA 3.31Å; F57-G61 PolarHBondContact O-N 3.46Å; F57-P73 HydrophobicContact CB-CG 4.14Å; F57-P73 HydrophobicContact CD1-CG 3.77Å; F57-P73 HydrophobicContact CD2-CG 3.32Å; F57-P73 HydrophobicContact CE1-CG 3.97Å; F57-P73 HydrophobicContact CE2-CG 3.59Å; F57-P73 HydrophobicContact CG-CG 3.46Å; F57-P73 VanDerWaalsContact CG-CG 3.46Å; F57-P73 HydrophobicContact CZ-CG 3.9Å |
| 58 | R | 84.4 | Confident | 89.3 | Confident | 128 Ų | 128 | 57.3 Ų | 57.3 | 48% | 0.483 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 174.5 | -169.7 | -174.5 | -58 | -174 | 6 | 112.4 | N54 D55 F56 G70 | N54-R58 PolarHBondContact ND2-NH2 3.27Å; N54-R58 VanDerWaalsContact ND2-NH2 3.19Å; N54-R58 VanDerWaalsContact O-CB 3.23Å; N54-R58 WeakPolarHBondContact O-CB 3.36Å; N54-R58 PolarHBondContact O-N 2.83Å; D55-R58 PolarHBondContact O-N 2.91Å; D55-R58 IonicContact OD1-CZ 3.9Å; D55-R58 IonicContact OD1-NH2 2.79Å; F56-R58 VanDerWaalsContact C-N 3.32Å; F56-R58 PolarHBondContact O-N 2.8Å; R58-G70 WeakPolarHBondContact O-CA 3.43Å |
| 59 | R | 84.3 | Confident | 89.5 | Confident | 123 Ų | 123 | 61.5 Ų | 61.5 | 46% | 0.464 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -86.5 | -45.3 | -177.9 | -76.7 | -173.4 | 160.3 | -119.4 | 7.8 | 113.2 | E34 D55 F56 F57 | E34-R59 IonicContact OE1-CZ 2.69Å; E34-R59 IonicContact OE1-NE 2.9Å; E34-R59 PolarHBondContact OE1-NE 3.38Å; E34-R59 IonicContact OE1-NH1 2.74Å; E34-R59 IonicContact OE1-NH2 3.66Å; E34-R59 PolarHBondContact OE1-NH2 3Å; E34-R59 IonicContact OE2-CZ 2.67Å; E34-R59 VanDerWaalsContact OE2-CZ 3.24Å; E34-R59 IonicContact OE2-NE 3.24Å; E34-R59 PolarHBondContact OE2-NE 3.32Å; E34-R59 IonicContact OE2-NH2 3.79Å; E34-R59 PolarHBondContact OE2-NH2 3.42Å; D55-R59 WeakPolarHBondContact O-CB 3.46Å; D55-R59 PolarHBondContact O-N 3.36Å; F56-R59 PolarHBondContact O-N 3.49Å; F57-R59 VanDerWaalsContact C-N 3.35Å; F57-R59 PolarHBondContact O-N 3.09Å |
| 60 | F | 87.5 | Confident | 89.5 | Confident | 70 Ų | 70 | 56.9 Ų | 56.9 | 31% | 0.307 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -113.8 | -10.4 | -168.8 | -50.5 | -68.1 | 0 | 0 | 0 | 113.6 | Y51 F56 | Y51-F60 HydrophobicContact CD1-CE2 4.29Å; Y51-F60 HydrophobicContact CD2-CE2 4.29Å; Y51-F60 AromaticContact CE1-CE2 3.9Å; Y51-F60 HydrophobicContact CE1-CE2 3.9Å; Y51-F60 HydrophobicContact CE1-CZ 4.38Å; Y51-F60 AromaticContact CE2-CE2 3.91Å; Y51-F60 HydrophobicContact CE2-CE2 3.91Å; Y51-F60 HydrophobicContact CE2-CZ 4.37Å; Y51-F60 HydrophobicContact CG-CE2 4.48Å; Y51-F60 AromaticContact CZ-CE2 3.73Å; Y51-F60 AromaticContact CZ-CZ 3.98Å; F56-F60 AromaticContact CD2-CD2 3.7Å; F56-F60 HydrophobicContact CD2-CD2 3.7Å; F56-F60 HydrophobicContact CD2-CE2 4.24Å; F56-F60 AromaticContact CE2-CD2 3.89Å; F56-F60 HydrophobicContact CE2-CD2 3.89Å; F56-F60 HydrophobicContact CG-CD2 4.29Å; F56-F60 WeakPolarHBondContact O-CB 3.31Å; F56-F60 WeakPolarHBondContact O-CD2 3.39Å; F56-F60 PolarHBondContact O-N 2.74Å |
| 61 | G | 87.6 | Confident | 89.3 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 19% | 0.186 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -83.9 | -172.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F57 K63 | F57-G61 WeakPolarHBondContact O-CA 3.31Å; F57-G61 PolarHBondContact O-N 3.46Å; G61-K63 PolarHBondContact O-N 2.96Å |
| 62 | T | 90.4 | Very high | 89 | Confident | 88 Ų | 88 | 57.6 Ų | 57.6 | 54% | 0.54 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 131.6 | 179.2 | -51.9 | 0 | 0 | 0 | 0 | 111 | I71 V84 | T62-I71 HydrophobicContact CG2-CD1 4.36Å; T62-I71 WeakPolarHBondContact O-CB 3.08Å; T62-I71 PolarHBondContact O-N 3.26Å; T62-V84 HydrophobicContact CG2-CB 4.14Å; T62-V84 HydrophobicContact CG2-CG2 3.95Å |
| 63 | K | 92.1 | Very high | 88.6 | Confident | 121 Ų | 121 | 59.9 Ų | 59.9 | 53% | 0.526 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -101.6 | 143.6 | 179.1 | -61.4 | 179.7 | -176.8 | 178.6 | 0 | 111 | G61 A65 | G61-K63 PolarHBondContact O-N 2.96Å; K63-A65 PolarHBondContact O-N 3.39Å |
| 64 | C | 92.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 124.5 | 171.9 | 174.8 | 0 | 0 | 0 | 0 | 109.5 | G66 C67 A68 Q69 I71 V84 H86 | C64-G66 PolarHBondContact O-N 3.33Å; C64-G66 PolarHBondContact SG-N 2.73Å; C64-G66 VanDerWaalsContact SG-N 3.36Å; C64-C67 VanDerWaalsContact SG-SG 3.64Å; C64-A68 WeakPolarHBondContact O-CA 3.35Å; C64-A68 PolarHBondContact O-N 3.24Å; C64-Q69 WeakPolarHBondContact CB-O 3.41Å; C64-Q69 PolarHBondContact N-O 3.36Å; C64-I71 HydrophobicContact CB-CD1 4.02Å; C64-I71 HydrophobicContact CB-CG1 4.08Å; C64-V84 CarbonylContact C-O 3.5Å; C64-V84 WeakPolarHBondContact CA-O 3.37Å; C64-H86 VanDerWaalsContact CB-CE1 3.46Å; C64-H86 WeakPolarHBondContact CB-CE1 3.47Å; C64-H86 WeakPolarHBondContact CB-ND1 3.39Å; C64-H86 PolarHBondContact SG-N 2.83Å; C64-H86 PolarHBondContact SG-ND1 2.93Å |
| 65 | A | 92.5 | Very high | 88.6 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 26% | 0.256 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -18.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K63 K83 V84 F85 N111 | K63-A65 PolarHBondContact O-N 3.39Å; A65-K83 HydrophobicContact CB-CB 3.87Å; A65-K83 HydrophobicContact CB-CD 3.74Å; A65-K83 HydrophobicContact CB-CG 4.25Å; A65-V84 PolarHBondContact N-O 3Å; A65-F85 HydrophobicContact CB-CD1 4.08Å; A65-F85 HydrophobicContact CB-CE1 3.48Å; A65-F85 VanDerWaalsContact CB-CE1 3.48Å; A65-F85 HydrophobicContact CB-CE2 4.24Å; A65-F85 HydrophobicContact CB-CZ 3.57Å; A65-N111 PolarHBondContact O-ND2 3.13Å; A65-N111 VanDerWaalsContact O-ND2 3.09Å |
| 66 | G | 90.9 | Very high | 88.7 | Confident | 45 Ų | 45 | 65.2 Ų | 65.2 | 46% | 0.464 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -39.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | C64 | C64-G66 PolarHBondContact O-N 3.33Å; C64-G66 PolarHBondContact SG-N 2.73Å; C64-G66 VanDerWaalsContact SG-N 3.36Å |
| 67 | C | 91.6 | Very high | 88.9 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 32% | 0.318 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 1.2 | -176.8 | 68.2 | 0 | 0 | 0 | 0 | 114.6 | C64 Q69 H86 C89 | C64-C67 VanDerWaalsContact SG-SG 3.64Å; C67-Q69 PolarHBondContact O-N 3.43Å; C67-H86 VanDerWaalsContact SG-CE1 3.56Å; C67-H86 PolarHBondContact SG-ND1 3.43Å; C67-C89 VanDerWaalsContact SG-SG 3.65Å |
| 68 | A | 89.9 | Confident | 89.2 | Confident | 75 Ų | 75 | 66.9 Ų | 66.9 | 62% | 0.62 | 38% | 0.375 | S | S | * | . | trans | 58.6 | 4.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | C64 | C64-A68 WeakPolarHBondContact O-CA 3.35Å; C64-A68 PolarHBondContact O-N 3.24Å | ||
| 69 | Q | 88.8 | Confident | 89.5 | Confident | 131 Ų | 131 | 68.4 Ų | 68.4 | 61% | 0.612 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 145.9 | 176.8 | -60.9 | 179.3 | 20.3 | 0 | 0 | 110.9 | C64 C67 | C64-Q69 WeakPolarHBondContact CB-O 3.41Å; C64-Q69 PolarHBondContact N-O 3.36Å; C67-Q69 PolarHBondContact O-N 3.43Å |
| 70 | G | 89.1 | Confident | 89.7 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 13% | 0.134 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -66.5 | 141.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R58 | R58-G70 WeakPolarHBondContact O-CA 3.43Å |
| 71 | I | 89.4 | Confident | 89.7 | Confident | 14 Ų | 14 | 68.4 Ų | 68.4 | 7% | 0.072 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -95.7 | 129.4 | -178.5 | -67.7 | 161 | 0 | 0 | 0 | 108.4 | T62 C64 D75 V77 V84 H86 | T62-I71 HydrophobicContact CG2-CD1 4.36Å; T62-I71 WeakPolarHBondContact O-CB 3.08Å; T62-I71 PolarHBondContact O-N 3.26Å; C64-I71 HydrophobicContact CB-CD1 4.02Å; C64-I71 HydrophobicContact CB-CG1 4.08Å; I71-D75 HydrophobicContact CG2-CB 4.17Å; I71-V77 HydrophobicContact CB-CG1 4.47Å; I71-V77 HydrophobicContact CD1-CG1 4.07Å; I71-V77 HydrophobicContact CG1-CG1 4.28Å; I71-V77 HydrophobicContact CG2-CG1 3.39Å; I71-V84 HydrophobicContact CD1-CB 4.01Å; I71-V84 HydrophobicContact CD1-CG1 3.68Å; I71-H86 WeakPolarHBondContact CG1-NE2 3.39Å |
| 72 | S | 85.5 | Confident | 89.8 | Confident | 13 Ų | 13 | 72.6 Ų | 72.6 | 9% | 0.091 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 146.6 | 172.8 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | S74 D75 | S72-S74 PolarHBondContact O-N 3.42Å; S72-S74 PolarHBondContact OG-N 2.83Å; S72-S74 PolarHBondContact OG-OG 2.86Å; S72-D75 VanDerWaalsContact CB-OD2 3.27Å; S72-D75 WeakPolarHBondContact CB-OD2 3.23Å; S72-D75 PolarHBondContact N-OD2 3.43Å; S72-D75 WeakPolarHBondContact O-CB 3.38Å; S72-D75 PolarHBondContact O-N 2.95Å |
| 73 | P | 83.3 | Confident | 89.8 | Confident | 70 Ų | 70 | 71 Ų | 71 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -20.2 | 172.8 | -23.5 | 33.1 | 0 | 0 | 0 | 114.2 | F57 | F57-P73 HydrophobicContact CB-CG 4.14Å; F57-P73 HydrophobicContact CD1-CG 3.77Å; F57-P73 HydrophobicContact CD2-CG 3.32Å; F57-P73 HydrophobicContact CE1-CG 3.97Å; F57-P73 HydrophobicContact CE2-CG 3.59Å; F57-P73 HydrophobicContact CG-CG 3.46Å; F57-P73 VanDerWaalsContact CG-CG 3.46Å; F57-P73 HydrophobicContact CZ-CG 3.9Å |
| 74 | S | 85.4 | Confident | 89.9 | Confident | 98 Ų | 98 | 66.7 Ų | 66.7 | 69% | 0.685 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -13.8 | 175.4 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | S72 | S72-S74 PolarHBondContact O-N 3.42Å; S72-S74 PolarHBondContact OG-N 2.83Å; S72-S74 PolarHBondContact OG-OG 2.86Å |
| 75 | D | 88.6 | Confident | 89.9 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 39% | 0.39 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -78.4 | 135.1 | -173.2 | -65.3 | -16.1 | 0 | 0 | 0 | 110.5 | I71 S72 | I71-D75 HydrophobicContact CG2-CB 4.17Å; S72-D75 VanDerWaalsContact CB-OD2 3.27Å; S72-D75 WeakPolarHBondContact CB-OD2 3.23Å; S72-D75 PolarHBondContact N-OD2 3.43Å; S72-D75 WeakPolarHBondContact O-CB 3.38Å; S72-D75 PolarHBondContact O-N 2.95Å |
| 76 | L | 91.4 | Very high | 90 | Very high | 142 Ų | 142 | 66.8 Ų | 66.8 | 74% | 0.743 | 38% | 0.378 | S | S | * | . | trans | -69.9 | 134.2 | 167 | -67.5 | 171.9 | 0 | 0 | 0 | 108.4 | L87 | L76-L87 VanDerWaalsContact C-CD1 3.49Å; L76-L87 HydrophobicContact CB-CD1 3.88Å; L76-L87 HydrophobicContact CB-CD2 4.45Å; L76-L87 VanDerWaalsContact O-CD1 3.23Å; L76-L87 WeakPolarHBondContact O-CD1 3.41Å | ||
| 77 | V | 93.4 | Very high | 90 | Very high | 59 Ų | 59 | 67.1 Ų | 67.1 | 36% | 0.358 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 158.5 | -177.9 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | I71 V84 F85 | I71-V77 HydrophobicContact CB-CG1 4.47Å; I71-V77 HydrophobicContact CD1-CG1 4.07Å; I71-V77 HydrophobicContact CG1-CG1 4.28Å; I71-V77 HydrophobicContact CG2-CG1 3.39Å; V77-V84 HydrophobicContact CB-CG1 3.61Å; V77-V84 HydrophobicContact CG1-CG1 4.01Å; V77-V84 HydrophobicContact CG2-CG1 3.64Å; V77-F85 WeakPolarHBondContact CA-O 3.45Å; V77-F85 WeakPolarHBondContact CB-O 3.28Å |
| 78 | R | 93.4 | Very high | 90.1 | Very high | 44 Ų | 44 | 71 Ų | 71 | 17% | 0.166 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.6 | 166.9 | -66.9 | -57.2 | -174.2 | 79.5 | 19.7 | 109.5 | V84 F85 L87 F90 L99 | R78-V84 CarbonylContact O-C 3.55Å; R78-V84 WeakPolarHBondContact O-CA 3.46Å; R78-F85 PolarHBondContact N-O 3.23Å; R78-F85 PolarHBondContact O-N 3.47Å; R78-L87 HydrophobicContact CG-CD1 4.26Å; R78-F90 HydrophobicContact CB-CB 4Å; R78-F90 HydrophobicContact CB-CD1 4.01Å; R78-F90 HydrophobicContact CB-CD2 4Å; R78-F90 HydrophobicContact CB-CG 3.71Å; R78-F90 HydrophobicContact CG-CB 3.99Å; R78-F90 HydrophobicContact CG-CD1 3.85Å; R78-F90 HydrophobicContact CG-CG 3.91Å; R78-L99 PolarHBondContact NH1-O 3.3Å; R78-L99 PolarHBondContact NH2-O 3.13Å |
| 79 | K | 91.3 | Very high | 90.2 | Very high | 160 Ų | 160 | 69 Ų | 69 | 70% | 0.696 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 125.2 | 172.6 | -168.2 | 176.9 | -179 | -177.8 | 0 | 107.9 | K83 | K79-K83 WeakPolarHBondContact CA-O 3.49Å |
| 80 | A | 89.3 | Confident | 90.5 | Very high | 18 Ų | 18 | 63.2 Ų | 63.2 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | S82 K83 F85 F90 F113 | A80-S82 PolarHBondContact O-N 2.85Å; A80-K83 PolarHBondContact N-O 3.22Å; A80-K83 PolarHBondContact O-N 2.95Å; A80-F85 HydrophobicContact CB-CD2 4.42Å; A80-F85 HydrophobicContact CB-CE2 4.09Å; A80-F90 HydrophobicContact CB-CE2 3.64Å; A80-F90 HydrophobicContact CB-CZ 4.14Å; A80-F113 HydrophobicContact CB-CE1 4.09Å; A80-F113 HydrophobicContact CB-CZ 4.16Å |
| 81 | R | 87.1 | Confident | 90.8 | Very high | 176 Ų | 176 | 64.4 Ų | 64.4 | 66% | 0.664 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | -120 | -169.9 | -58 | 178.5 | 174.4 | 162.7 | -1.5 | 110.4 | ||
| 82 | S | 88.6 | Confident | 91 | Very high | 105 Ų | 105 | 63.8 Ų | 63.8 | 73% | 0.734 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 1.2 | 178 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | A80 | A80-S82 PolarHBondContact O-N 2.85Š|
| 83 | K | 91.3 | Very high | 91.3 | Very high | 54 Ų | 54 | 67.7 Ų | 67.7 | 24% | 0.235 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 154.7 | -174.2 | -62.4 | -171.1 | -171.9 | -174.2 | 0 | 112.6 | A65 K79 A80 F85 E110 N111 | A65-K83 HydrophobicContact CB-CB 3.87Å; A65-K83 HydrophobicContact CB-CD 3.74Å; A65-K83 HydrophobicContact CB-CG 4.25Å; K79-K83 WeakPolarHBondContact CA-O 3.49Å; A80-K83 PolarHBondContact N-O 3.22Å; A80-K83 PolarHBondContact O-N 2.95Å; K83-F85 HydrophobicContact CB-CD2 4.49Å; K83-F85 HydrophobicContact CB-CE2 3.56Å; K83-F85 HydrophobicContact CB-CZ 3.86Å; K83-F85 HydrophobicContact CD-CZ 4.43Å; K83-E110 WeakPolarHBondContact CE-OE2 3.43Å; K83-E110 IonicContact NZ-OE2 2.93Å; K83-E110 PolarHBondContact NZ-OE2 3.5Å; K83-N111 VanDerWaalsContact CD-OD1 3.26Å; K83-N111 WeakPolarHBondContact CD-OD1 3.24Å; K83-N111 PolarHBondContact NZ-OD1 3.33Å |
| 84 | V | 93.5 | Very high | 91.7 | Very high | 32 Ų | 32 | 68.5 Ų | 68.5 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 139 | -178.7 | -165.2 | 0 | 0 | 0 | 0 | 109.5 | T62 C64 A65 I71 V77 R78 | T62-V84 HydrophobicContact CG2-CB 4.14Å; T62-V84 HydrophobicContact CG2-CG2 3.95Å; C64-V84 CarbonylContact C-O 3.5Å; C64-V84 WeakPolarHBondContact CA-O 3.37Å; A65-V84 PolarHBondContact N-O 3Å; I71-V84 HydrophobicContact CD1-CB 4.01Å; I71-V84 HydrophobicContact CD1-CG1 3.68Å; V77-V84 HydrophobicContact CB-CG1 3.61Å; V77-V84 HydrophobicContact CG1-CG1 4.01Å; V77-V84 HydrophobicContact CG2-CG1 3.64Å; R78-V84 CarbonylContact O-C 3.55Å; R78-V84 WeakPolarHBondContact O-CA 3.46Å |
| 85 | F | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 144.4 | -175.3 | -59.9 | -96.3 | 0 | 0 | 0 | 110.2 | A65 V77 R78 A80 K83 F90 N111 F113 | A65-F85 HydrophobicContact CB-CD1 4.08Å; A65-F85 HydrophobicContact CB-CE1 3.48Å; A65-F85 VanDerWaalsContact CB-CE1 3.48Å; A65-F85 HydrophobicContact CB-CE2 4.24Å; A65-F85 HydrophobicContact CB-CZ 3.57Å; V77-F85 WeakPolarHBondContact CA-O 3.45Å; V77-F85 WeakPolarHBondContact CB-O 3.28Å; R78-F85 PolarHBondContact N-O 3.23Å; R78-F85 PolarHBondContact O-N 3.47Å; A80-F85 HydrophobicContact CB-CD2 4.42Å; A80-F85 HydrophobicContact CB-CE2 4.09Å; K83-F85 HydrophobicContact CB-CD2 4.49Å; K83-F85 HydrophobicContact CB-CE2 3.56Å; K83-F85 HydrophobicContact CB-CZ 3.86Å; K83-F85 HydrophobicContact CD-CZ 4.43Å; F85-F90 HydrophobicContact CB-CB 4.23Å; F85-F90 HydrophobicContact CB-CD2 4.09Å; F85-F90 HydrophobicContact CD2-CD2 4.11Å; F85-F90 HydrophobicContact CD2-CE2 4.46Å; F85-F90 HydrophobicContact CG-CD2 4.08Å; F85-N111 HydrophobicContact CE1-CB 4.43Å; F85-F113 HydrophobicContact CD1-CE2 4.21Å; F85-F113 HydrophobicContact CD2-CZ 4.4Å; F85-F113 AromaticContact CE1-CE2 3.88Å; F85-F113 HydrophobicContact CE1-CE2 3.88Å; F85-F113 HydrophobicContact CE1-CZ 4.02Å; F85-F113 HydrophobicContact CE2-CE2 4.35Å; F85-F113 AromaticContact CE2-CZ 3.81Å; F85-F113 HydrophobicContact CE2-CZ 3.81Å; F85-F113 AromaticContact CZ-CE2 3.97Å; F85-F113 HydrophobicContact CZ-CE2 3.97Å; F85-F113 AromaticContact CZ-CZ 3.6Å; F85-F113 HydrophobicContact CZ-CZ 3.6Å |
| 86 | H | 93.7 | Very high | 92.2 | Very high | 34 Ų | 34 | 68.9 Ų | 68.9 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 152.4 | 162.9 | -63.9 | 123.4 | 0 | 0 | 0 | 109.9 | C64 C67 I71 N88 C89 F90 | C64-H86 VanDerWaalsContact CB-CE1 3.46Å; C64-H86 WeakPolarHBondContact CB-CE1 3.47Å; C64-H86 WeakPolarHBondContact CB-ND1 3.39Å; C64-H86 PolarHBondContact SG-N 2.83Å; C64-H86 PolarHBondContact SG-ND1 2.93Å; C67-H86 VanDerWaalsContact SG-CE1 3.56Å; C67-H86 PolarHBondContact SG-ND1 3.43Å; I71-H86 WeakPolarHBondContact CG1-NE2 3.39Å; H86-N88 PolarHBondContact O-N 2.8Å; H86-C89 HydrophobicContact CB-CB 4.11Å; H86-C89 PolarHBondContact O-N 3.01Å; H86-F90 PolarHBondContact O-N 3.16Å; H86-F90 VanDerWaalsContact O-N 3.09Å |
| 87 | L | 92.5 | Very high | 92.3 | Very high | 52 Ų | 52 | 66.1 Ų | 66.1 | 27% | 0.272 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -51.4 | -43.5 | 172.7 | -106.1 | 70.6 | 0 | 0 | 0 | 111.9 | L76 R78 C89 F90 Q98 | L76-L87 VanDerWaalsContact C-CD1 3.49Å; L76-L87 HydrophobicContact CB-CD1 3.88Å; L76-L87 HydrophobicContact CB-CD2 4.45Å; L76-L87 VanDerWaalsContact O-CD1 3.23Å; L76-L87 WeakPolarHBondContact O-CD1 3.41Å; R78-L87 HydrophobicContact CG-CD1 4.26Å; L87-C89 VanDerWaalsContact C-N 3.3Å; L87-C89 PolarHBondContact O-N 3.08Å; L87-F90 PolarHBondContact O-N 3.32Å; L87-Q98 WeakPolarHBondContact O-CG 3.44Å; L87-Q98 PolarHBondContact O-NE2 2.95Å |
| 88 | N | 92.4 | Very high | 92.3 | Very high | 129 Ų | 129 | 66.8 Ų | 66.8 | 69% | 0.69 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -77.4 | -15.8 | -178.5 | -60.6 | -5.1 | 0 | 0 | 0 | 113.4 | H86 T91 | H86-N88 PolarHBondContact O-N 2.8Å; N88-T91 WeakPolarHBondContact O-CG2 3.42Å |
| 89 | C | 93.4 | Very high | 92.2 | Very high | 32 Ų | 32 | 64.7 Ų | 64.7 | 22% | 0.216 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -93.8 | -8.4 | 175.9 | -60.5 | 0 | 0 | 0 | 0 | 112.3 | C67 H86 L87 T91 | C67-C89 VanDerWaalsContact SG-SG 3.65Å; H86-C89 HydrophobicContact CB-CB 4.11Å; H86-C89 PolarHBondContact O-N 3.01Å; L87-C89 VanDerWaalsContact C-N 3.3Å; L87-C89 PolarHBondContact O-N 3.08Å; C89-T91 VanDerWaalsContact C-N 3.35Å; C89-T91 PolarHBondContact O-N 3.45Å |
| 90 | F | 94.5 | Very high | 92.1 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 4% | 0.044 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -95.6 | 67.7 | 178.7 | -161 | -103.9 | 0 | 0 | 0 | 109.9 | R78 A80 F85 H86 L87 L99 L105 F113 | R78-F90 HydrophobicContact CB-CB 4Å; R78-F90 HydrophobicContact CB-CD1 4.01Å; R78-F90 HydrophobicContact CB-CD2 4Å; R78-F90 HydrophobicContact CB-CG 3.71Å; R78-F90 HydrophobicContact CG-CB 3.99Å; R78-F90 HydrophobicContact CG-CD1 3.85Å; R78-F90 HydrophobicContact CG-CG 3.91Å; A80-F90 HydrophobicContact CB-CE2 3.64Å; A80-F90 HydrophobicContact CB-CZ 4.14Å; F85-F90 HydrophobicContact CB-CB 4.23Å; F85-F90 HydrophobicContact CB-CD2 4.09Å; F85-F90 HydrophobicContact CD2-CD2 4.11Å; F85-F90 HydrophobicContact CD2-CE2 4.46Å; F85-F90 HydrophobicContact CG-CD2 4.08Å; H86-F90 PolarHBondContact O-N 3.16Å; H86-F90 VanDerWaalsContact O-N 3.09Å; L87-F90 PolarHBondContact O-N 3.32Å; F90-L99 HydrophobicContact CD1-CB 3.76Å; F90-L99 HydrophobicContact CD1-CD1 4.48Å; F90-L99 HydrophobicContact CE1-CB 3.74Å; F90-L99 HydrophobicContact CE1-CD1 4.2Å; F90-L99 PolarHBondContact O-N 3.08Å; F90-L105 HydrophobicContact CE1-CD2 3.66Å; F90-L105 HydrophobicContact CZ-CD2 3.59Å; F90-F113 HydrophobicContact CD2-CD2 4.02Å; F90-F113 AromaticContact CD2-CE2 3.64Å; F90-F113 HydrophobicContact CD2-CE2 3.64Å; F90-F113 AromaticContact CD2-CZ 3.98Å; F90-F113 HydrophobicContact CD2-CZ 3.98Å; F90-F113 HydrophobicContact CE2-CD1 4.12Å; F90-F113 AromaticContact CE2-CD2 3.96Å; F90-F113 HydrophobicContact CE2-CD2 3.96Å; F90-F113 AromaticContact CE2-CE1 3.79Å; F90-F113 HydrophobicContact CE2-CE1 3.79Å; F90-F113 AromaticContact CE2-CE2 3.62Å; F90-F113 HydrophobicContact CE2-CE2 3.62Å; F90-F113 HydrophobicContact CE2-CG 4.21Å; F90-F113 AromaticContact CE2-CZ 3.53Å; F90-F113 HydrophobicContact CE2-CZ 3.53Å; F90-F113 HydrophobicContact CZ-CD1 4.46Å; F90-F113 HydrophobicContact CZ-CE1 4.44Å |
| 91 | T | 94.4 | Very high | 92.2 | Very high | 38 Ų | 38 | 65 Ų | 65 | 23% | 0.233 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -123.3 | 155.3 | -172.4 | 50.8 | 0 | 0 | 0 | 0 | 111.5 | N88 C89 K97 Q98 | N88-T91 WeakPolarHBondContact O-CG2 3.42Å; C89-T91 VanDerWaalsContact C-N 3.35Å; C89-T91 PolarHBondContact O-N 3.45Å; T91-K97 CarbonylContact C-O 3.56Å; T91-K97 WeakPolarHBondContact CA-O 3.35Å; T91-Q98 HydrophobicContact CG2-CB 4.22Å |
| 92 | C | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -65.1 | 133.3 | 170 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | V94 C95 N96 K97 L99 F113 C115 D118 | C92-V94 PolarHBondContact O-N 3.5Å; C92-V94 PolarHBondContact SG-N 2.6Å; C92-V94 VanDerWaalsContact SG-N 3.37Å; C92-C95 VanDerWaalsContact CB-SG 3.52Å; C92-N96 WeakPolarHBondContact O-CA 3.29Å; C92-N96 PolarHBondContact O-N 3.39Å; C92-K97 PolarHBondContact N-O 2.85Å; C92-L99 HydrophobicContact CB-CD2 4.47Å; C92-F113 CarbonylContact C-O 3.58Å; C92-F113 WeakPolarHBondContact CA-O 3.43Å; C92-C115 HydrophobicContact CB-CB 4.18Å; C92-C115 PolarHBondContact SG-N 3.45Å; C92-D118 PolarHBondContact SG-OD2 2.9Å |
| 93 | M | 92.3 | Very high | 92.3 | Very high | 95 Ų | 95 | 58.7 Ų | 58.7 | 47% | 0.468 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -14.9 | 177.6 | 67.4 | 178.7 | -71.2 | 0 | 0 | 114.1 | K112 F113 V114 | M93-K112 HydrophobicContact CE-CD 4.18Å; M93-K112 HydrophobicContact SD-CB 3.91Å; M93-K112 HydrophobicContact SD-CD 4.13Å; M93-K112 HydrophobicContact SD-CG 4.46Å; M93-F113 WeakPolarHBondContact CG-O 3.42Å; M93-F113 PolarHBondContact N-O 3.33Å; M93-V114 HydrophobicContact CG-CG2 3.72Å; M93-V114 HydrophobicContact SD-CG2 3.98Å |
| 94 | V | 91.9 | Very high | 92.3 | Very high | 88 Ų | 88 | 61.5 Ų | 61.5 | 53% | 0.533 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -63.2 | -179.5 | 178.4 | 0 | 0 | 0 | 0 | 110 | C92 V114 D118 | C92-V94 PolarHBondContact O-N 3.5Å; C92-V94 PolarHBondContact SG-N 2.6Å; C92-V94 VanDerWaalsContact SG-N 3.37Å; V94-V114 HydrophobicContact CG2-CG1 4.32Å; V94-V114 HydrophobicContact CG2-CG2 4.44Å; V94-D118 HydrophobicContact CB-CB 3.93Å; V94-D118 WeakPolarHBondContact CB-OD2 3.46Å; V94-D118 HydrophobicContact CG1-CB 4.01Å; V94-D118 HydrophobicContact CG2-CB 4.31Å |
| 95 | C | 92.7 | Very high | 92.3 | Very high | 59 Ų | 59 | 62.6 Ų | 62.6 | 40% | 0.399 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -1.3 | -179.3 | 66 | 0 | 0 | 0 | 0 | 115.7 | C92 K97 D118 | C92-C95 VanDerWaalsContact CB-SG 3.52Å; C95-K97 PolarHBondContact O-N 3.16Å; C95-K97 WeakPolarHBondContact SG-CB 3.43Å; C95-D118 WeakPolarHBondContact CB-OD2 3.4Å; C95-D118 PolarHBondContact N-OD2 2.75Å; C95-D118 VanDerWaalsContact N-OD2 3.13Å; C95-D118 PolarHBondContact SG-OD2 2.93Å |
| 96 | N | 92 | Very high | 92.1 | Very high | 120 Ų | 120 | 66.2 Ų | 66.2 | 64% | 0.642 | 37% | 0.371 | S | S | * | . | trans | 57.6 | 9.7 | -173.6 | -63.4 | -56 | 0 | 0 | 0 | 115.2 | C92 Q98 | C92-N96 WeakPolarHBondContact O-CA 3.29Å; C92-N96 PolarHBondContact O-N 3.39Å; N96-Q98 PolarHBondContact O-N 2.89Å | ||
| 97 | K | 92.4 | Very high | 92 | Very high | 84 Ų | 84 | 66.9 Ų | 66.9 | 37% | 0.365 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 133.4 | 177.7 | -177.7 | -174.7 | 167.8 | -165.3 | 0 | 110.5 | T91 C92 C95 L99 E103 | T91-K97 CarbonylContact C-O 3.56Å; T91-K97 WeakPolarHBondContact CA-O 3.35Å; C92-K97 PolarHBondContact N-O 2.85Å; C95-K97 PolarHBondContact O-N 3.16Å; C95-K97 WeakPolarHBondContact SG-CB 3.43Å; K97-L99 PolarHBondContact O-N 3.42Å; K97-E103 VanDerWaalsContact CE-OE1 3.31Å; K97-E103 WeakPolarHBondContact CE-OE1 3.31Å; K97-E103 IonicContact NZ-OE1 3.46Å; K97-E103 PolarHBondContact NZ-OE1 3.29Å; K97-E103 IonicContact NZ-OE2 2.97Å |
| 98 | Q | 93.4 | Very high | 91.8 | Very high | 73 Ų | 73 | 69.1 Ų | 69.1 | 34% | 0.341 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -68.8 | 123.9 | 171.7 | -174 | 177.6 | 20.6 | 0 | 0 | 111.1 | L87 T91 N96 | L87-Q98 WeakPolarHBondContact O-CG 3.44Å; L87-Q98 PolarHBondContact O-NE2 2.95Å; T91-Q98 HydrophobicContact CG2-CB 4.22Å; N96-Q98 PolarHBondContact O-N 2.89Å |
| 99 | L | 91.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 121.5 | -175.8 | -59.8 | 170.8 | 0 | 0 | 0 | 110 | R78 F90 C92 K97 E103 L105 F113 C115 | R78-L99 PolarHBondContact NH1-O 3.3Å; R78-L99 PolarHBondContact NH2-O 3.13Å; F90-L99 HydrophobicContact CD1-CB 3.76Å; F90-L99 HydrophobicContact CD1-CD1 4.48Å; F90-L99 HydrophobicContact CE1-CB 3.74Å; F90-L99 HydrophobicContact CE1-CD1 4.2Å; F90-L99 PolarHBondContact O-N 3.08Å; C92-L99 HydrophobicContact CB-CD2 4.47Å; K97-L99 PolarHBondContact O-N 3.42Å; L99-E103 WeakPolarHBondContact CA-OE2 3.28Å; L99-L105 HydrophobicContact CB-CD2 4.38Å; L99-L105 HydrophobicContact CD1-CB 3.88Å; L99-L105 HydrophobicContact CD1-CD2 3.93Å; L99-L105 HydrophobicContact CD1-CG 4.44Å; L99-L105 HydrophobicContact CD2-CB 4.48Å; L99-F113 HydrophobicContact CD1-CB 3.6Å; L99-F113 HydrophobicContact CD1-CG 4.33Å; L99-C115 HydrophobicContact CD2-CB 3.68Å |
| 100 | S | 90.6 | Very high | 90.9 | Very high | 55 Ų | 55 | 71.3 Ų | 71.3 | 39% | 0.385 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -93 | 162.6 | -174.4 | -71.4 | 0 | 0 | 0 | 0 | 114 | G102 E103 | S100-G102 PolarHBondContact O-N 2.89Å; S100-E103 PolarHBondContact N-OE2 3.46Å; S100-E103 PolarHBondContact O-N 3.45Å; S100-E103 VanDerWaalsContact O-N 3.14Å |
| 101 | T | 90.6 | Very high | 90.4 | Very high | 128 Ų | 128 | 74 Ų | 74 | 79% | 0.785 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 121.8 | 174.9 | -55.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 102 | G | 88.1 | Confident | 90.2 | Very high | 81 Ų | 81 | 77.2 Ų | 77.2 | 84% | 0.835 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | -1.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S100 | S100-G102 PolarHBondContact O-N 2.89Š|
| 103 | E | 89.5 | Confident | 90.2 | Very high | 69 Ų | 69 | 77.4 Ų | 77.4 | 32% | 0.322 | 42% | 0.421 | S | S | . | . | trans | -82.7 | 141.4 | 167.8 | -65.3 | -173 | 149.8 | 0 | 0 | 110.7 | K97 L99 S100 | K97-E103 VanDerWaalsContact CE-OE1 3.31Å; K97-E103 WeakPolarHBondContact CE-OE1 3.31Å; K97-E103 IonicContact NZ-OE1 3.46Å; K97-E103 PolarHBondContact NZ-OE1 3.29Å; K97-E103 IonicContact NZ-OE2 2.97Å; L99-E103 WeakPolarHBondContact CA-OE2 3.28Å; S100-E103 PolarHBondContact N-OE2 3.46Å; S100-E103 PolarHBondContact O-N 3.45Å; S100-E103 VanDerWaalsContact O-N 3.14Å | ||
| 104 | E | 91.6 | Very high | 90.3 | Very high | 112 Ų | 112 | 73.2 Ų | 73.2 | 52% | 0.523 | 40% | 0.401 | S | S | . | . | trans | -77.9 | 136 | 173.4 | -70.8 | 174.8 | -172 | 0 | 0 | 110.3 | K116 | E104-K116 HydrophobicContact CB-CB 4.02Å; E104-K116 HydrophobicContact CB-CD 4.25Å; E104-K116 HydrophobicContact CB-CG 4.4Å; E104-K116 PolarHBondContact O-N 3.26Å; E104-K116 VanDerWaalsContact O-N 3.15Å; E104-K116 IonicContact OE1-NZ 3.05Å; E104-K116 WeakPolarHBondContact OE2-CD 3.48Å; E104-K116 WeakPolarHBondContact OE2-CE 3.27Å; E104-K116 IonicContact OE2-NZ 3.59Å; E104-K116 PolarHBondContact OE2-NZ 3.03Å | ||
| 105 | L | 92.4 | Very high | 90.4 | Very high | 55 Ų | 55 | 69.2 Ų | 69.2 | 29% | 0.288 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 152.1 | 179.7 | 67.4 | 91.3 | 0 | 0 | 0 | 110.3 | F90 L99 V107 F113 V114 | F90-L105 HydrophobicContact CE1-CD2 3.66Å; F90-L105 HydrophobicContact CZ-CD2 3.59Å; L99-L105 HydrophobicContact CB-CD2 4.38Å; L99-L105 HydrophobicContact CD1-CB 3.88Å; L99-L105 HydrophobicContact CD1-CD2 3.93Å; L99-L105 HydrophobicContact CD1-CG 4.44Å; L99-L105 HydrophobicContact CD2-CB 4.48Å; L105-V107 HydrophobicContact CD1-CG2 3.77Å; L105-F113 HydrophobicContact CD1-CD1 4.03Å; L105-V114 CarbonylContact C-O 3.55Å; L105-V114 WeakPolarHBondContact CA-O 3.3Å |
| 106 | Y | 91.1 | Very high | 90.4 | Very high | 77 Ų | 77 | 70.2 Ų | 70.2 | 30% | 0.302 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136 | 175.7 | -65.7 | -92.3 | 0 | 0 | 0 | 109.2 | F113 V114 K116 Y119 | Y106-F113 CarbonylContact O-C 3.57Å; Y106-F113 WeakPolarHBondContact O-CA 3.46Å; Y106-V114 PolarHBondContact N-O 2.96Å; Y106-V114 PolarHBondContact O-N 3Å; Y106-K116 HydrophobicContact CE2-CB 4.41Å; Y106-K116 HydrophobicContact CE2-CG 4.36Å; Y106-Y119 AromaticContact CD1-CD1 3.76Å; Y106-Y119 HydrophobicContact CD1-CD1 3.76Å; Y106-Y119 HydrophobicContact CD1-CD2 4.06Å; Y106-Y119 AromaticContact CD1-CE1 3.66Å; Y106-Y119 HydrophobicContact CD1-CE1 3.66Å; Y106-Y119 AromaticContact CD1-CE2 3.96Å; Y106-Y119 HydrophobicContact CD1-CE2 3.96Å; Y106-Y119 AromaticContact CD1-CG 3.95Å; Y106-Y119 HydrophobicContact CD1-CG 3.95Å; Y106-Y119 AromaticContact CD1-CZ 3.76Å; Y106-Y119 AromaticContact CD2-CD1 3.58Å; Y106-Y119 HydrophobicContact CD2-CD1 3.58Å; Y106-Y119 AromaticContact CD2-CD2 3.98Å; Y106-Y119 HydrophobicContact CD2-CD2 3.98Å; Y106-Y119 HydrophobicContact CD2-CE1 4.34Å; Y106-Y119 AromaticContact CD2-CG 3.35Å; Y106-Y119 HydrophobicContact CD2-CG 3.35Å; Y106-Y119 AromaticContact CE1-CD1 3.63Å; Y106-Y119 HydrophobicContact CE1-CD1 3.63Å; Y106-Y119 AromaticContact CE1-CE1 3.49Å; Y106-Y119 HydrophobicContact CE1-CE1 3.49Å; Y106-Y119 VanDerWaalsContact CE1-CE1 3.49Å; Y106-Y119 HydrophobicContact CE1-CG 4.27Å; Y106-Y119 AromaticContact CE2-CD1 3.44Å; Y106-Y119 HydrophobicContact CE2-CD1 3.44Å; Y106-Y119 VanDerWaalsContact CE2-CD1 3.44Å; Y106-Y119 HydrophobicContact CE2-CE1 4.2Å; Y106-Y119 AromaticContact CE2-CG 3.72Å; Y106-Y119 HydrophobicContact CE2-CG 3.72Å; Y106-Y119 AromaticContact CG-CD1 3.73Å; Y106-Y119 HydrophobicContact CG-CD1 3.73Å; Y106-Y119 AromaticContact CG-CD2 3.63Å; Y106-Y119 HydrophobicContact CG-CD2 3.63Å; Y106-Y119 HydrophobicContact CG-CE1 4.08Å; Y106-Y119 AromaticContact CG-CE2 3.98Å; Y106-Y119 HydrophobicContact CG-CE2 3.98Å; Y106-Y119 AromaticContact CG-CG 3.47Å; Y106-Y119 HydrophobicContact CG-CG 3.47Å; Y106-Y119 VanDerWaalsContact CG-CG 3.47Å; Y106-Y119 AromaticContact CZ-CD1 3.47Å; Y106-Y119 VanDerWaalsContact CZ-CD1 3.47Å; Y106-Y119 AromaticContact CZ-CE1 3.77Å |
| 107 | V | 91.3 | Very high | 90.4 | Very high | 47 Ų | 47 | 69.1 Ų | 69.1 | 29% | 0.285 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 105.9 | 179.8 | -172.9 | 0 | 0 | 0 | 0 | 107.8 | L105 D109 F113 | L105-V107 HydrophobicContact CD1-CG2 3.77Å; V107-D109 WeakPolarHBondContact CG1-O 3.4Å; V107-F113 HydrophobicContact CG1-CD1 4.42Å; V107-F113 HydrophobicContact CG1-CE1 4.28Å; V107-F113 HydrophobicContact CG2-CD1 4.09Å; V107-F113 HydrophobicContact CG2-CE1 4.24Å |
| 108 | I | 88.2 | Confident | 90.4 | Very high | 100 Ų | 100 | 66.6 Ų | 66.6 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -39.2 | -178.7 | -55.6 | -58.7 | 0 | 0 | 0 | 110.7 | K112 V114 Y119 | I108-K112 PolarHBondContact N-O 3.48Å; I108-V114 HydrophobicContact CD1-CG2 4.11Å; I108-V114 HydrophobicContact CG1-CB 4.32Å; I108-V114 HydrophobicContact CG1-CG2 3.47Å; I108-V114 VanDerWaalsContact CG1-CG2 3.47Å; I108-Y119 HydrophobicContact CD1-CD2 4.27Å; I108-Y119 HydrophobicContact CD1-CE2 4.17Å |
| 109 | D | 84.2 | Confident | 90.3 | Very high | 85 Ų | 85 | 67.2 Ų | 67.2 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 168.5 | 178.9 | -166.1 | 2.5 | 0 | 0 | 0 | 108.6 | V107 N111 K112 | V107-D109 WeakPolarHBondContact CG1-O 3.4Å; D109-N111 PolarHBondContact O-N 3.43Å; D109-K112 HydrophobicContact CB-CB 4.01Å; D109-K112 HydrophobicContact CB-CD 4.21Å; D109-K112 HydrophobicContact CB-CG 4.16Å; D109-K112 PolarHBondContact O-N 2.84Å |
| 110 | E | 81.7 | Confident | 90.2 | Very high | 121 Ų | 121 | 70.9 Ų | 70.9 | 57% | 0.565 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -28.2 | -171.9 | -60.2 | -166.8 | 148.4 | 0 | 0 | 114.2 | K83 | K83-E110 WeakPolarHBondContact CE-OE2 3.43Å; K83-E110 IonicContact NZ-OE2 2.93Å; K83-E110 PolarHBondContact NZ-OE2 3.5Å |
| 111 | N | 85.3 | Confident | 90.1 | Very high | 68 Ų | 68 | 71.6 Ų | 71.6 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | 9.1 | -178.7 | -58.6 | -6.5 | 0 | 0 | 0 | 113.2 | A65 K83 F85 D109 | A65-N111 PolarHBondContact O-ND2 3.13Å; A65-N111 VanDerWaalsContact O-ND2 3.09Å; K83-N111 VanDerWaalsContact CD-OD1 3.26Å; K83-N111 WeakPolarHBondContact CD-OD1 3.24Å; K83-N111 PolarHBondContact NZ-OD1 3.33Å; F85-N111 HydrophobicContact CE1-CB 4.43Å; D109-N111 PolarHBondContact O-N 3.43Å |
| 112 | K | 89.3 | Confident | 89.4 | Confident | 104 Ų | 104 | 68.3 Ų | 68.3 | 45% | 0.452 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125 | -175.2 | -62.5 | -174.7 | -177.3 | -178 | 0 | 111.6 | M93 I108 D109 | M93-K112 HydrophobicContact CE-CD 4.18Å; M93-K112 HydrophobicContact SD-CB 3.91Å; M93-K112 HydrophobicContact SD-CD 4.13Å; M93-K112 HydrophobicContact SD-CG 4.46Å; I108-K112 PolarHBondContact N-O 3.48Å; D109-K112 HydrophobicContact CB-CB 4.01Å; D109-K112 HydrophobicContact CB-CD 4.21Å; D109-K112 HydrophobicContact CB-CG 4.16Å; D109-K112 PolarHBondContact O-N 2.84Å |
| 113 | F | 93.3 | Very high | 88.6 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 2% | 0.022 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 143.4 | -176 | -48.1 | -71.4 | 0 | 0 | 0 | 110.4 | A80 F85 F90 C92 M93 L99 L105 Y106 V107 | A80-F113 HydrophobicContact CB-CE1 4.09Å; A80-F113 HydrophobicContact CB-CZ 4.16Å; F85-F113 HydrophobicContact CD1-CE2 4.21Å; F85-F113 HydrophobicContact CD2-CZ 4.4Å; F85-F113 AromaticContact CE1-CE2 3.88Å; F85-F113 HydrophobicContact CE1-CE2 3.88Å; F85-F113 HydrophobicContact CE1-CZ 4.02Å; F85-F113 HydrophobicContact CE2-CE2 4.35Å; F85-F113 AromaticContact CE2-CZ 3.81Å; F85-F113 HydrophobicContact CE2-CZ 3.81Å; F85-F113 AromaticContact CZ-CE2 3.97Å; F85-F113 HydrophobicContact CZ-CE2 3.97Å; F85-F113 AromaticContact CZ-CZ 3.6Å; F85-F113 HydrophobicContact CZ-CZ 3.6Å; F90-F113 HydrophobicContact CD2-CD2 4.02Å; F90-F113 AromaticContact CD2-CE2 3.64Å; F90-F113 HydrophobicContact CD2-CE2 3.64Å; F90-F113 AromaticContact CD2-CZ 3.98Å; F90-F113 HydrophobicContact CD2-CZ 3.98Å; F90-F113 HydrophobicContact CE2-CD1 4.12Å; F90-F113 AromaticContact CE2-CD2 3.96Å; F90-F113 HydrophobicContact CE2-CD2 3.96Å; F90-F113 AromaticContact CE2-CE1 3.79Å; F90-F113 HydrophobicContact CE2-CE1 3.79Å; F90-F113 AromaticContact CE2-CE2 3.62Å; F90-F113 HydrophobicContact CE2-CE2 3.62Å; F90-F113 HydrophobicContact CE2-CG 4.21Å; F90-F113 AromaticContact CE2-CZ 3.53Å; F90-F113 HydrophobicContact CE2-CZ 3.53Å; F90-F113 HydrophobicContact CZ-CD1 4.46Å; F90-F113 HydrophobicContact CZ-CE1 4.44Å; C92-F113 CarbonylContact C-O 3.58Å; C92-F113 WeakPolarHBondContact CA-O 3.43Å; M93-F113 WeakPolarHBondContact CG-O 3.42Å; M93-F113 PolarHBondContact N-O 3.33Å; L99-F113 HydrophobicContact CD1-CB 3.6Å; L99-F113 HydrophobicContact CD1-CG 4.33Å; L105-F113 HydrophobicContact CD1-CD1 4.03Å; Y106-F113 CarbonylContact O-C 3.57Å; Y106-F113 WeakPolarHBondContact O-CA 3.46Å; V107-F113 HydrophobicContact CG1-CD1 4.42Å; V107-F113 HydrophobicContact CG1-CE1 4.28Å; V107-F113 HydrophobicContact CG2-CD1 4.09Å; V107-F113 HydrophobicContact CG2-CE1 4.24Å |
| 114 | V | 94.4 | Very high | 87.2 | Confident | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134.1 | 171.9 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | M93 V94 L105 Y106 I108 D118 | M93-V114 HydrophobicContact CG-CG2 3.72Å; M93-V114 HydrophobicContact SD-CG2 3.98Å; V94-V114 HydrophobicContact CG2-CG1 4.32Å; V94-V114 HydrophobicContact CG2-CG2 4.44Å; L105-V114 CarbonylContact C-O 3.55Å; L105-V114 WeakPolarHBondContact CA-O 3.3Å; Y106-V114 PolarHBondContact N-O 2.96Å; Y106-V114 PolarHBondContact O-N 3Å; I108-V114 HydrophobicContact CD1-CG2 4.11Å; I108-V114 HydrophobicContact CG1-CB 4.32Å; I108-V114 HydrophobicContact CG1-CG2 3.47Å; I108-V114 VanDerWaalsContact CG1-CG2 3.47Å; V114-D118 HydrophobicContact CG1-CB 3.71Å |
| 115 | C | 94.6 | Very high | 85.6 | Confident | 4 Ų | 4 | 68.9 Ų | 68.9 | 3% | 0.027 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 160.9 | 175.5 | 69 | 0 | 0 | 0 | 0 | 110.4 | C92 L99 D117 D118 Y119 | C92-C115 HydrophobicContact CB-CB 4.18Å; C92-C115 PolarHBondContact SG-N 3.45Å; L99-C115 HydrophobicContact CD2-CB 3.68Å; C115-D117 VanDerWaalsContact C-N 3.27Å; C115-D117 PolarHBondContact O-N 3.41Å; C115-D118 PolarHBondContact O-N 2.86Å; C115-D118 PolarHBondContact SG-N 3Å; C115-D118 VanDerWaalsContact SG-N 3.41Å; C115-D118 PolarHBondContact SG-OD2 3.05Å; C115-Y119 WeakPolarHBondContact O-CB 3.48Å; C115-Y119 PolarHBondContact O-N 3.47Å |
| 116 | K | 92.8 | Very high | 83.9 | Confident | 79 Ų | 79 | 75.1 Ų | 75.1 | 34% | 0.343 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -51.1 | -46.7 | 177.1 | -174.2 | -168.8 | -171.6 | 149.7 | 0 | 113.3 | E104 Y106 Y119 L120 | E104-K116 HydrophobicContact CB-CB 4.02Å; E104-K116 HydrophobicContact CB-CD 4.25Å; E104-K116 HydrophobicContact CB-CG 4.4Å; E104-K116 PolarHBondContact O-N 3.26Å; E104-K116 VanDerWaalsContact O-N 3.15Å; E104-K116 IonicContact OE1-NZ 3.05Å; E104-K116 WeakPolarHBondContact OE2-CD 3.48Å; E104-K116 WeakPolarHBondContact OE2-CE 3.27Å; E104-K116 IonicContact OE2-NZ 3.59Å; E104-K116 PolarHBondContact OE2-NZ 3.03Å; Y106-K116 HydrophobicContact CE2-CB 4.41Å; Y106-K116 HydrophobicContact CE2-CG 4.36Å; K116-Y119 PolarHBondContact O-N 3.16Å; K116-L120 HydrophobicContact CD-CD1 4.44Å; K116-L120 HydrophobicContact CG-CD1 3.9Å; K116-L120 HydrophobicContact CG-CG 4.41Å; K116-L120 WeakPolarHBondContact O-CG 3.23Å; K116-L120 PolarHBondContact O-N 2.93Å |
| 117 | D | 92.5 | Very high | 82 | Confident | 97 Ų | 97 | 79.9 Ų | 79.9 | 52% | 0.519 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.6 | -46.7 | -173.8 | -53.9 | -34 | 0 | 0 | 0 | 111.4 | C115 S121 | C115-D117 VanDerWaalsContact C-N 3.27Å; C115-D117 PolarHBondContact O-N 3.41Å; D117-S121 WeakPolarHBondContact O-CB 3.42Å; D117-S121 PolarHBondContact O-N 2.98Å; D117-S121 PolarHBondContact O-OG 3.22Å |
| 118 | D | 92.8 | Very high | 79.9 | Confident | 32 Ų | 32 | 80.5 Ų | 80.5 | 17% | 0.171 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -70.6 | -35 | 178.6 | -68.6 | -25.5 | 0 | 0 | 0 | 111.8 | C92 V94 C95 V114 C115 S121 S122 | C92-D118 PolarHBondContact SG-OD2 2.9Å; V94-D118 HydrophobicContact CB-CB 3.93Å; V94-D118 WeakPolarHBondContact CB-OD2 3.46Å; V94-D118 HydrophobicContact CG1-CB 4.01Å; V94-D118 HydrophobicContact CG2-CB 4.31Å; C95-D118 WeakPolarHBondContact CB-OD2 3.4Å; C95-D118 PolarHBondContact N-OD2 2.75Å; C95-D118 VanDerWaalsContact N-OD2 3.13Å; C95-D118 PolarHBondContact SG-OD2 2.93Å; V114-D118 HydrophobicContact CG1-CB 3.71Å; C115-D118 PolarHBondContact O-N 2.86Å; C115-D118 PolarHBondContact SG-N 3Å; C115-D118 VanDerWaalsContact SG-N 3.41Å; C115-D118 PolarHBondContact SG-OD2 3.05Å; D118-S121 PolarHBondContact O-N 3.33Å; D118-S122 VanDerWaalsContact O-CB 3.32Å; D118-S122 WeakPolarHBondContact O-CB 3.45Å; D118-S122 PolarHBondContact O-N 3.47Å; D118-S122 PolarHBondContact O-OG 2.96Å |
| 119 | Y | 91.2 | Very high | 78 | Confident | 85 Ų | 85 | 80.4 Ų | 80.4 | 33% | 0.333 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.9 | -49.7 | 177.6 | -175.7 | -97.6 | 0 | 0 | 0 | 110.9 | Y106 I108 C115 K116 S121 S122 S123 | Y106-Y119 AromaticContact CD1-CD1 3.76Å; Y106-Y119 HydrophobicContact CD1-CD1 3.76Å; Y106-Y119 HydrophobicContact CD1-CD2 4.06Å; Y106-Y119 AromaticContact CD1-CE1 3.66Å; Y106-Y119 HydrophobicContact CD1-CE1 3.66Å; Y106-Y119 AromaticContact CD1-CE2 3.96Å; Y106-Y119 HydrophobicContact CD1-CE2 3.96Å; Y106-Y119 AromaticContact CD1-CG 3.95Å; Y106-Y119 HydrophobicContact CD1-CG 3.95Å; Y106-Y119 AromaticContact CD1-CZ 3.76Å; Y106-Y119 AromaticContact CD2-CD1 3.58Å; Y106-Y119 HydrophobicContact CD2-CD1 3.58Å; Y106-Y119 AromaticContact CD2-CD2 3.98Å; Y106-Y119 HydrophobicContact CD2-CD2 3.98Å; Y106-Y119 HydrophobicContact CD2-CE1 4.34Å; Y106-Y119 AromaticContact CD2-CG 3.35Å; Y106-Y119 HydrophobicContact CD2-CG 3.35Å; Y106-Y119 AromaticContact CE1-CD1 3.63Å; Y106-Y119 HydrophobicContact CE1-CD1 3.63Å; Y106-Y119 AromaticContact CE1-CE1 3.49Å; Y106-Y119 HydrophobicContact CE1-CE1 3.49Å; Y106-Y119 VanDerWaalsContact CE1-CE1 3.49Å; Y106-Y119 HydrophobicContact CE1-CG 4.27Å; Y106-Y119 AromaticContact CE2-CD1 3.44Å; Y106-Y119 HydrophobicContact CE2-CD1 3.44Å; Y106-Y119 VanDerWaalsContact CE2-CD1 3.44Å; Y106-Y119 HydrophobicContact CE2-CE1 4.2Å; Y106-Y119 AromaticContact CE2-CG 3.72Å; Y106-Y119 HydrophobicContact CE2-CG 3.72Å; Y106-Y119 AromaticContact CG-CD1 3.73Å; Y106-Y119 HydrophobicContact CG-CD1 3.73Å; Y106-Y119 AromaticContact CG-CD2 3.63Å; Y106-Y119 HydrophobicContact CG-CD2 3.63Å; Y106-Y119 HydrophobicContact CG-CE1 4.08Å; Y106-Y119 AromaticContact CG-CE2 3.98Å; Y106-Y119 HydrophobicContact CG-CE2 3.98Å; Y106-Y119 AromaticContact CG-CG 3.47Å; Y106-Y119 HydrophobicContact CG-CG 3.47Å; Y106-Y119 VanDerWaalsContact CG-CG 3.47Å; Y106-Y119 AromaticContact CZ-CD1 3.47Å; Y106-Y119 VanDerWaalsContact CZ-CD1 3.47Å; Y106-Y119 AromaticContact CZ-CE1 3.77Å; I108-Y119 HydrophobicContact CD1-CD2 4.27Å; I108-Y119 HydrophobicContact CD1-CE2 4.17Å; C115-Y119 WeakPolarHBondContact O-CB 3.48Å; C115-Y119 PolarHBondContact O-N 3.47Å; K116-Y119 PolarHBondContact O-N 3.16Å; Y119-S121 VanDerWaalsContact C-N 3.34Å; Y119-S121 PolarHBondContact O-N 2.97Å; Y119-S122 PolarHBondContact O-N 3.27Å; Y119-S122 PolarHBondContact O-OG 3.05Å; Y119-S123 PolarHBondContact O-N 2.77Å; Y119-S123 PolarHBondContact O-OG 2.89Å |
| 120 | L | 89.1 | Confident | 76.3 | Confident | 77 Ų | 77 | 84.1 Ų | 84.1 | 40% | 0.403 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 177.6 | -67 | 175.9 | 0 | 0 | 0 | 112.1 | K116 S122 S123 S124 | K116-L120 HydrophobicContact CD-CD1 4.44Å; K116-L120 HydrophobicContact CG-CD1 3.9Å; K116-L120 HydrophobicContact CG-CG 4.41Å; K116-L120 WeakPolarHBondContact O-CG 3.23Å; K116-L120 PolarHBondContact O-N 2.93Å; L120-S122 VanDerWaalsContact C-N 3.32Å; L120-S122 PolarHBondContact O-N 3.06Å; L120-S123 WeakPolarHBondContact CA-OG 3.49Å; L120-S123 PolarHBondContact O-N 3.48Å; L120-S123 PolarHBondContact O-OG 3.31Å; L120-S124 PolarHBondContact O-N 3.34Å; L120-S124 PolarHBondContact O-OG 3.43Å |
| 121 | S | 87.6 | Confident | 74.4 | Confident | 71 Ų | 71 | 85.8 Ų | 85.8 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 176.3 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | D117 D118 Y119 | D117-S121 WeakPolarHBondContact O-CB 3.42Å; D117-S121 PolarHBondContact O-N 2.98Å; D117-S121 PolarHBondContact O-OG 3.22Å; D118-S121 PolarHBondContact O-N 3.33Å; Y119-S121 VanDerWaalsContact C-N 3.34Å; Y119-S121 PolarHBondContact O-N 2.97Å |
| 122 | S | 77.6 | Confident | 72.6 | Confident | 59 Ų | 59 | 88.1 Ų | 88.1 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -74.5 | -29.3 | 177.3 | 74.7 | 0 | 0 | 0 | 0 | 113.7 | D118 Y119 L120 | D118-S122 VanDerWaalsContact O-CB 3.32Å; D118-S122 WeakPolarHBondContact O-CB 3.45Å; D118-S122 PolarHBondContact O-N 3.47Å; D118-S122 PolarHBondContact O-OG 2.96Å; Y119-S122 PolarHBondContact O-N 3.27Å; Y119-S122 PolarHBondContact O-OG 3.05Å; L120-S122 VanDerWaalsContact C-N 3.32Å; L120-S122 PolarHBondContact O-N 3.06Å |
| 123 | S | 70.1 | Confident | 70.3 | Confident | 43 Ų | 43 | 89.6 Ų | 89.6 | 30% | 0.301 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -74 | -39 | 175.5 | 58.5 | 0 | 0 | 0 | 0 | 111.9 | Y119 L120 L125 K126 | Y119-S123 PolarHBondContact O-N 2.77Å; Y119-S123 PolarHBondContact O-OG 2.89Å; L120-S123 WeakPolarHBondContact CA-OG 3.49Å; L120-S123 PolarHBondContact O-N 3.48Å; L120-S123 PolarHBondContact O-OG 3.31Å; S123-L125 PolarHBondContact O-N 3.39Å; S123-K126 PolarHBondContact O-N 3.08Å |
| 124 | S | 60.5 | Low | 67.7 | Low | 85 Ų | 85 | 95.2 Ų | 95.2 | 59% | 0.594 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.7 | -24.2 | 177.5 | -62.1 | 0 | 0 | 0 | 0 | 113.3 | L120 | L120-S124 PolarHBondContact O-N 3.34Å; L120-S124 PolarHBondContact O-OG 3.43Å |
| 125 | L | 57.7 | Low | 65.3 | Low | 146 Ų | 146 | 100 Ų | 100 | 76% | 0.764 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -18.5 | 175 | -66.6 | 173.5 | 0 | 0 | 0 | 113.5 | S123 | S123-L125 PolarHBondContact O-N 3.39Š|
| 126 | K | 57.4 | Low | 62.8 | Low | 186 Ų | 186 | 105.1 Ų | 105.1 | 81% | 0.809 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -23.5 | 179.1 | -75.6 | -173 | 174.9 | -177.3 | 0 | 113.7 | S123 | S123-K126 PolarHBondContact O-N 3.08Š|
| 127 | E | 51.6 | Low | 60.2 | Low | 176 Ų | 176 | 107.6 Ų | 107.6 | 82% | 0.822 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -83.5 | -9.9 | 172.5 | -96 | 171.7 | 134.8 | 0 | 0 | 113.7 | S129 | E127-S129 PolarHBondContact O-N 3.48Š|
| 128 | G | 46.2 | Very low | 57.6 | Low | 60 Ų | 60 | 109.9 Ų | 109.9 | 62% | 0.619 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -82.7 | -2.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 129 | S | 48 | Very low | 54.9 | Low | 99 Ų | 99 | 118.9 Ų | 118.9 | 69% | 0.692 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -102 | 16 | -170.6 | -165.4 | 0 | 0 | 0 | 0 | 115.5 | E127 | E127-S129 PolarHBondContact O-N 3.48Š|
| 130 | L | 49.6 | Very low | 52.5 | Low | 163 Ų | 163 | 119.9 Ų | 119.9 | 85% | 0.853 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -135.1 | -0.9 | 171 | -76.7 | 179.5 | 0 | 0 | 0 | 117 | ||
| 131 | N | 41 | Very low | 49.8 | Very low | 156 Ų | 156 | 124.6 Ų | 124.6 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | trans | -118.6 | 74.5 | 175.7 | -69.1 | 2.2 | 0 | 0 | 0 | 111.1 | ||||
| 132 | S | 46.6 | Very low | 47.4 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | -116.4 | 87.9 | 158 | -85.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 133 | V | 41 | Very low | 46 | Very low | 136 Ų | 136 | 129.1 Ų | 129.1 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | trans | -151.4 | 123 | 138.1 | -84.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 134 | S | 39 | Very low | 44.2 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | 80.7 | 108.3 | 145.9 | -58.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 135 | S | 43.8 | Very low | 43.1 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -65.3 | 155.5 | 156.3 | -55.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 136 | C | 42.9 | Very low | 42 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | 80.5 | 140.3 | 137.8 | 74.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 137 | T | 38.2 | Very low | 40.8 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 79.2 | 106.5 | 158.2 | 57.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 138 | D | 38.3 | Very low | 40 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | 7.3 | 120.4 | 125.7 | -164.4 | -88 | 0 | 0 | 0 | 117.4 | |||||
| 139 | R | 35.4 | Very low | 39.5 | Very low | 222 Ų | 222 | 133.3 Ų | 133.3 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | 174.8 | 147 | 114 | -147.5 | 127.5 | 71.2 | 170.7 | 3.6 | 111.5 | |||||
| 140 | S | 41.3 | Very low | 39 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -40.1 | 149.6 | 172.7 | -47.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 141 | L | 32.9 | Very low | 38.2 | Very low | 175 Ų | 175 | 137 Ų | 137 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | 164.2 | 121.2 | 125.5 | -83 | 171.7 | 0 | 0 | 0 | 110.1 | |||||
| 142 | S | 35.8 | Very low | 38.3 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -69.9 | 161.3 | 156 | -43.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 143 | P | 49.3 | Very low | 38.4 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | -153 | 164.3 | 70.5 | 43.2 | -22.8 | 0 | 0 | 0 | 117.4 | |||||
| 144 | D | 31.2 | Very low | 38.4 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | 70.4 | 104.3 | 136.9 | -101.4 | -121.7 | 0 | 0 | 0 | 123.1 | ||||
| 145 | L | 37.5 | Very low | 38.1 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 62% | 0.618 | 77% | 0.768 | S | S | * | * | 144 | 127.4 | 102.3 | -80.9 | -175.6 | 0 | 0 | 0 | 115.9 | |||||
| 146 | Q | 36.1 | Very low | 38 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | 64.4 | 138 | 136.5 | -74.7 | 156.4 | 10.8 | 0 | 0 | 118.8 | ||||
| 147 | D | 30.7 | Very low | 37.5 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | cis | -170.1 | 177 | 2.8 | -149.6 | -55.2 | 0 | 0 | 0 | 106.8 | ||||
| 148 | A | 34.8 | Very low | 37.2 | Very low | 84 Ų | 84 | 144.1 Ų | 144.1 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | trans | 105.4 | 73.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 149 | L | 35.8 | Very low | 37.1 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | 48.8 | 115.3 | 112.9 | -60.8 | 171.7 | 0 | 0 | 0 | 120.3 | |||||
| 150 | Q | 38.4 | Very low | 36.9 | Very low | 187 Ų | 187 | 137 Ų | 137 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | 172.3 | 106.1 | 105.9 | -93.1 | 171.6 | 11.9 | 0 | 0 | 108.9 | |||||
| 151 | D | 32 | Very low | 36.6 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | 79.8 | 86.5 | 91.6 | -155.5 | -100.8 | 0 | 0 | 0 | 112.2 | |||||
| 152 | D | 42.7 | Very low | 36.6 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | 90.2 | 165.3 | 94.4 | -133.2 | -121.9 | 0 | 0 | 0 | 112.4 | |||||
| 153 | P | 49 | Very low | 36.7 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | -132 | 174.8 | -95.5 | 43 | -26.5 | 0 | 0 | 0 | 112.8 | |||||
| 154 | K | 42.2 | Very low | 36.3 | Very low | 204 Ų | 204 | 139.7 Ų | 139.7 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | trans | -157.4 | 107.5 | 137 | -143.5 | 173.8 | 179.6 | 178.8 | 0 | 111.8 | ||||
| 155 | E | 32.8 | Very low | 36.6 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -65.7 | 150.6 | 159.7 | -56.5 | -147.2 | 133.4 | 0 | 0 | 110.7 | ||||
| 156 | T | 40.6 | Very low | 36.5 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | -162.9 | 118.3 | 118.9 | 20.3 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 157 | D | 31.7 | Very low | 36.4 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -54.3 | 149 | 161.1 | -164.3 | -3.6 | 0 | 0 | 0 | 110.6 | ||||
| 158 | N | 32.3 | Very low | 36.4 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | 177.3 | 124.9 | 118.5 | -163.8 | 25.7 | 0 | 0 | 0 | 110.1 | |||||
| 159 | S | 37.3 | Very low | 36.4 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | trans | -61.5 | 157.2 | 164.7 | -63 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 160 | T | 31.6 | Very low | 36.5 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | 157.1 | 143 | 125.5 | -61 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 161 | S | 33.2 | Very low | 36.3 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | -39.1 | 153.6 | 177 | 59.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 162 | S | 33.7 | Very low | 37.1 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | 158.9 | 147.5 | 103.8 | -80.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 163 | D | 37.1 | Very low | 37 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -44.5 | 146.8 | 177 | -59.7 | -88 | 0 | 0 | 0 | 117.4 | ||||
| 164 | K | 41.6 | Very low | 36.8 | Very low | 203 Ų | 203 | 145.8 Ų | 145.8 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -161.3 | 116.8 | 136.1 | -145 | 170.5 | 179.1 | 175.1 | 0 | 112.8 | ||||
| 165 | E | 37.7 | Very low | 36.2 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -69.4 | 145.8 | 160.8 | -59.9 | -168.6 | 109.4 | 0 | 0 | 111 | ||||
| 166 | T | 34.4 | Very low | 36.5 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | 171.8 | 119 | 123.5 | 26.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 167 | A | 34.2 | Very low | 36.6 | Very low | 80 Ų | 80 | 137.6 Ų | 137.6 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | trans | 41.5 | 130.9 | 131.9 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 168 | N | 32.2 | Very low | 37.1 | Very low | 160 Ų | 160 | 136 Ų | 136 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | 70.6 | 147 | 139.3 | -65.2 | -15.3 | 0 | 0 | 0 | 119 | ||||
| 169 | N | 33.3 | Very low | 37.9 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | cis | -171.4 | 165.2 | -12.1 | -175 | 21.1 | 0 | 0 | 0 | 105.8 | ||||
| 170 | E | 38.7 | Very low | 38.3 | Very low | 165 Ų | 165 | 145.2 Ų | 145.2 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | trans | 78.3 | 104.6 | 157.6 | -42.4 | -174.6 | 173.4 | 0 | 0 | 119.7 | ||||
| 171 | N | 33.9 | Very low | 39.9 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | -156.4 | 117 | 121.5 | -144 | 7.1 | 0 | 0 | 0 | 111.4 | |||||
| 172 | E | 48 | Very low | 41.5 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -63.5 | 150.1 | 152.5 | -73 | -172.7 | 97.4 | 0 | 0 | 107.5 | ||||
| 173 | E | 42.4 | Very low | 43.6 | Very low | 147 Ų | 147 | 150.1 Ų | 150.1 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | -178.6 | 135.5 | 68.2 | -173.8 | 170.7 | 95.2 | 0 | 0 | 109.8 | |||||
| 174 | Q | 43 | Very low | 45.5 | Very low | 163 Ų | 163 | 153.8 Ų | 153.8 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 52.9 | 112.8 | 150.1 | -62.7 | 165.3 | 37.7 | 0 | 0 | 121.5 | ||||
| 175 | N | 29.4 | Very low | 47.6 | Very low | 157 Ų | 157 | 148 Ų | 148 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | -141.3 | 125 | 129.3 | -166.6 | 7.5 | 0 | 0 | 0 | 111.4 | |||||
| 176 | S | 39.4 | Very low | 50.1 | Low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -64.5 | 150.9 | -175.3 | 47.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 177 | G | 42.9 | Very low | 52.9 | Low | 72 Ų | 72 | 141.4 Ų | 141.4 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | 101.2 | 59.2 | 145.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 178 | T | 42 | Very low | 55.7 | Low | 106 Ų | 106 | 144.9 Ų | 144.9 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | trans | -165.4 | 129.7 | 143.7 | 23.5 | 0 | 0 | 0 | 0 | 107.7 | R180 | T178-R180 PolarHBondContact O-N 3.26Š| ||
| 179 | K | 49.3 | Very low | 58.6 | Low | 215 Ų | 215 | 141.3 Ų | 141.3 | 94% | 0.935 | 74% | 0.735 | S | S | * | * | trans | -67.7 | 77.8 | 173 | -69.3 | 175.5 | -178 | 173.8 | 0 | 109.2 | R181 | K179-R181 PolarHBondContact O-N 3.45Š| ||
| 180 | R | 46 | Very low | 61.5 | Low | 214 Ų | 214 | 143.7 Ų | 143.7 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | trans | -73.1 | 92.4 | 174.3 | -63 | -167.8 | -173.8 | -157.3 | 4.8 | 107.2 | T178 G182 | T178-R180 PolarHBondContact O-N 3.26Å; R180-G182 PolarHBondContact O-N 3.07Å; R180-G182 VanDerWaalsContact O-N 3.09Å | ||
| 181 | R | 65.6 | Low | 64.2 | Low | 243 Ų | 243 | 137.4 Ų | 137.4 | 92% | 0.917 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 120.8 | 160.1 | -66.5 | -176.4 | -177.1 | -135 | 1.6 | 105.5 | K179 | K179-R181 PolarHBondContact O-N 3.45Š|
| 182 | G | 67.4 | Low | 67.1 | Low | 55 Ų | 55 | 132.1 Ų | 132.1 | 57% | 0.567 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 165.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R180 R184 | R180-G182 PolarHBondContact O-N 3.07Å; R180-G182 VanDerWaalsContact O-N 3.09Å; G182-R184 PolarHBondContact O-N 3.34Å |
| 183 | P | 76.9 | Confident | 69.4 | Low | 134 Ų | 134 | 130.6 Ų | 130.6 | 87% | 0.87 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 124.6 | -178.8 | -25.3 | 32.7 | 0 | 0 | 0 | 111.1 | T185 | P183-T185 PolarHBondContact O-N 2.98Š|
| 184 | R | 78.1 | Confident | 72 | Confident | 236 Ų | 236 | 125.8 Ų | 125.8 | 89% | 0.891 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -72 | 121.9 | -179.3 | -171.1 | 172.6 | -172.9 | 140.4 | -0 | 108.6 | G182 T186 | G182-R184 PolarHBondContact O-N 3.34Å; R184-T186 PolarHBondContact O-N 2.97Å |
| 185 | T | 85.4 | Confident | 74.6 | Confident | 82 Ų | 82 | 118 Ų | 118 | 50% | 0.503 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 121.8 | 177.2 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | P183 V223 | P183-T185 PolarHBondContact O-N 2.98Å; T185-V223 HydrophobicContact CG2-CG2 3.89Å |
| 186 | T | 89.6 | Confident | 77.8 | Confident | 126 Ų | 126 | 115.3 Ų | 115.3 | 77% | 0.773 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 119.5 | 172.4 | -58.2 | 0 | 0 | 0 | 0 | 109.5 | R184 | R184-T186 PolarHBondContact O-N 2.97Š|
| 187 | I | 92.1 | Very high | 80.5 | Confident | 45 Ų | 45 | 113.4 Ų | 113.4 | 23% | 0.231 | 59% | 0.59 | C | S | . | * | P | Polyproline II helix | trans | -86.3 | 121.1 | 178.8 | -60.1 | 169.5 | 0 | 0 | 0 | 108.4 | Q191 L192 L195 L219 V223 W227 | I187-Q191 HydrophobicContact CG2-CB 3.84Å; I187-L192 HydrophobicContact CG2-CB 4.23Å; I187-L192 HydrophobicContact CG2-CD1 4.48Å; I187-L195 HydrophobicContact CG2-CD1 4.25Å; I187-L219 HydrophobicContact CD1-CD1 4.46Å; I187-L219 HydrophobicContact CG1-CD1 4.09Å; I187-L219 HydrophobicContact CG1-CD2 4.4Å; I187-L219 HydrophobicContact CG2-CD1 4.03Å; I187-V223 HydrophobicContact CD1-CG1 4.04Å; I187-V223 HydrophobicContact CG1-CG1 4.26Å; I187-W227 VanDerWaalsContact CD1-CD1 3.46Å; I187-W227 HydrophobicContact CD1-CG 4.27Å |
| 188 | K | 93.8 | Very high | 83.1 | Confident | 153 Ų | 153 | 110.9 Ų | 110.9 | 67% | 0.665 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 161 | -179.9 | -63.5 | -177.8 | 177.6 | 179.3 | 0 | 111.7 | K190 Q191 L192 | K188-K190 PolarHBondContact O-N 2.94Å; K188-Q191 HydrophobicContact CB-CG 4.34Å; K188-Q191 PolarHBondContact O-N 2.82Å; K188-L192 PolarHBondContact O-N 3.5Å |
| 189 | A | 92.6 | Very high | 85.7 | Confident | 86 Ų | 86 | 107 Ų | 107 | 71% | 0.711 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.5 | -48.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q191 L192 E193 | A189-Q191 PolarHBondContact O-N 2.81Å; A189-L192 WeakPolarHBondContact O-CB 3.38Å; A189-L192 PolarHBondContact O-N 3.34Å; A189-L192 VanDerWaalsContact O-N 3.13Å; A189-E193 PolarHBondContact O-N 3.44Å |
| 190 | K | 93.9 | Very high | 87.9 | Confident | 174 Ų | 174 | 100.9 Ų | 100.9 | 76% | 0.757 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59 | -43.8 | 176.9 | -174.3 | 179.3 | 179 | -179 | 0 | 112.3 | K188 L192 E193 T194 | K188-K190 PolarHBondContact O-N 2.94Å; K190-L192 VanDerWaalsContact C-N 3.31Å; K190-L192 PolarHBondContact O-N 3.05Å; K190-E193 WeakPolarHBondContact O-CB 3.38Å; K190-E193 PolarHBondContact O-N 3.14Å; K190-T194 PolarHBondContact O-N 2.99Å; K190-T194 PolarHBondContact O-OG1 3.41Å |
| 191 | Q | 95.4 | Very high | 90.3 | Very high | 34 Ų | 34 | 94.5 Ų | 94.5 | 16% | 0.159 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -63 | -39.8 | 176.4 | -63.6 | 169 | -36.4 | 0 | 0 | 111.3 | I187 K188 A189 E193 T194 L195 T217 L219 | I187-Q191 HydrophobicContact CG2-CB 3.84Å; K188-Q191 HydrophobicContact CB-CG 4.34Å; K188-Q191 PolarHBondContact O-N 2.82Å; A189-Q191 PolarHBondContact O-N 2.81Å; Q191-E193 VanDerWaalsContact C-N 3.3Å; Q191-E193 PolarHBondContact O-N 3.18Å; Q191-T194 PolarHBondContact O-N 2.97Å; Q191-L195 VanDerWaalsContact O-CG 3.3Å; Q191-L195 WeakPolarHBondContact O-CG 3.36Å; Q191-L195 PolarHBondContact O-N 2.96Å; Q191-L195 VanDerWaalsContact O-N 3.13Å; Q191-T217 HydrophobicContact CB-CG2 4.38Å; Q191-T217 PolarHBondContact NE2-O 2.74Å; Q191-L219 HydrophobicContact CB-CD1 4.24Å |
| 192 | L | 96.8 | Very high | 91.5 | Very high | 53 Ų | 53 | 85.5 Ų | 85.5 | 28% | 0.277 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.3 | -32.9 | 178.7 | -170.3 | 67.9 | 0 | 0 | 0 | 112.3 | I187 K188 A189 K190 L195 K196 W227 | I187-L192 HydrophobicContact CG2-CB 4.23Å; I187-L192 HydrophobicContact CG2-CD1 4.48Å; K188-L192 PolarHBondContact O-N 3.5Å; A189-L192 WeakPolarHBondContact O-CB 3.38Å; A189-L192 PolarHBondContact O-N 3.34Å; A189-L192 VanDerWaalsContact O-N 3.13Å; K190-L192 VanDerWaalsContact C-N 3.31Å; K190-L192 PolarHBondContact O-N 3.05Å; L192-L195 PolarHBondContact O-N 3.36Å; L192-K196 HydrophobicContact CG-CD 4.37Å; L192-K196 WeakPolarHBondContact O-CB 3.47Å; L192-K196 VanDerWaalsContact O-CG 3.24Å; L192-K196 WeakPolarHBondContact O-CG 3.43Å; L192-K196 PolarHBondContact O-N 2.94Å; L192-W227 HydrophobicContact CD1-CZ2 3.79Å; L192-W227 VanDerWaalsContact CD1-NE1 3.26Å |
| 193 | E | 96.1 | Very high | 92.8 | Very high | 139 Ų | 139 | 85.8 Ų | 85.8 | 65% | 0.65 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.3 | -49.3 | 175.7 | -169.5 | 168.3 | -161.2 | 0 | 0 | 111.5 | A189 K190 Q191 L195 K196 A197 | A189-E193 PolarHBondContact O-N 3.44Å; K190-E193 WeakPolarHBondContact O-CB 3.38Å; K190-E193 PolarHBondContact O-N 3.14Å; Q191-E193 VanDerWaalsContact C-N 3.3Å; Q191-E193 PolarHBondContact O-N 3.18Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.02Å; E193-K196 PolarHBondContact O-N 2.95Å; E193-K196 VanDerWaalsContact O-N 3.14Å; E193-A197 PolarHBondContact O-N 3.27Å |
| 194 | T | 96.1 | Very high | 93.7 | Very high | 46 Ų | 46 | 87.3 Ų | 87.3 | 28% | 0.282 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56 | -45.5 | 173.7 | -48.2 | 0 | 0 | 0 | 0 | 111.7 | K190 Q191 K196 A197 A198 L213 T217 | K190-T194 PolarHBondContact O-N 2.99Å; K190-T194 PolarHBondContact O-OG1 3.41Å; Q191-T194 PolarHBondContact O-N 2.97Å; T194-K196 PolarHBondContact O-N 3.31Å; T194-A197 PolarHBondContact O-N 3.24Å; T194-A198 PolarHBondContact O-N 3.36Å; T194-L213 HydrophobicContact CG2-CD2 3.88Å; T194-T217 HydrophobicContact CG2-CG2 4.17Å |
| 195 | L | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.1 | -37 | 178.5 | -66.6 | 173.9 | 0 | 0 | 0 | 113.1 | I187 Q191 L192 E193 F199 L213 L219 I224 W227 F228 | I187-L195 HydrophobicContact CG2-CD1 4.25Å; Q191-L195 VanDerWaalsContact O-CG 3.3Å; Q191-L195 WeakPolarHBondContact O-CG 3.36Å; Q191-L195 PolarHBondContact O-N 2.96Å; Q191-L195 VanDerWaalsContact O-N 3.13Å; L192-L195 PolarHBondContact O-N 3.36Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.02Å; L195-F199 WeakPolarHBondContact O-CB 3.29Å; L195-F199 PolarHBondContact O-N 3.26Å; L195-L213 HydrophobicContact CD2-CD1 4.35Å; L195-L219 HydrophobicContact CD1-CD1 4.08Å; L195-I224 HydrophobicContact CD1-CD1 4.48Å; L195-I224 HydrophobicContact CD2-CD1 3.54Å; L195-I224 HydrophobicContact CD2-CG2 4.46Å; L195-W227 HydrophobicContact CB-CD2 4.14Å; L195-W227 HydrophobicContact CB-CE3 4.04Å; L195-W227 HydrophobicContact CB-CH2 3.65Å; L195-W227 HydrophobicContact CB-CZ2 3.73Å; L195-W227 HydrophobicContact CB-CZ3 3.81Å; L195-W227 HydrophobicContact CD1-CD2 3.91Å; L195-W227 HydrophobicContact CD1-CE3 4.42Å; L195-W227 HydrophobicContact CD1-CG 3.99Å; L195-W227 WeakPolarHBondContact O-CH2 3.29Å; L195-W227 WeakPolarHBondContact O-CZ3 3.36Å; L195-F228 HydrophobicContact CD2-CE2 4Å |
| 196 | K | 96.6 | Very high | 95 | Very high | 101 Ų | 101 | 76.5 Ų | 76.5 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.7 | -43.2 | 176 | -77.7 | 169.9 | 178.1 | 173.9 | 0 | 111.5 | L192 E193 T194 F199 A200 W227 | L192-K196 HydrophobicContact CG-CD 4.37Å; L192-K196 WeakPolarHBondContact O-CB 3.47Å; L192-K196 VanDerWaalsContact O-CG 3.24Å; L192-K196 WeakPolarHBondContact O-CG 3.43Å; L192-K196 PolarHBondContact O-N 2.94Å; E193-K196 PolarHBondContact O-N 2.95Å; E193-K196 VanDerWaalsContact O-N 3.14Å; T194-K196 PolarHBondContact O-N 3.31Å; K196-F199 PolarHBondContact O-N 3.06Å; K196-A200 PolarHBondContact O-N 3.27Å; K196-W227 HydrophobicContact CG-CH2 4.45Å; K196-W227 HydrophobicContact CG-CZ2 4.36Å |
| 197 | A | 96.7 | Very high | 95.3 | Very high | 67 Ų | 67 | 79.1 Ų | 79.1 | 55% | 0.554 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.2 | -48.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | E193 T194 F199 A200 A201 | E193-A197 PolarHBondContact O-N 3.27Å; T194-A197 PolarHBondContact O-N 3.24Å; A197-F199 VanDerWaalsContact C-N 3.33Å; A197-F199 PolarHBondContact O-N 3.5Å; A197-A200 PolarHBondContact O-N 3.19Å; A197-A201 PolarHBondContact O-N 2.85Å |
| 198 | A | 96.8 | Very high | 95.5 | Very high | 20 Ų | 20 | 83 Ų | 83 | 17% | 0.165 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T194 A201 T202 L213 F228 | T194-A198 PolarHBondContact O-N 3.36Å; A198-A201 PolarHBondContact O-N 3.48Å; A198-T202 PolarHBondContact O-N 3.27Å; A198-L213 HydrophobicContact CB-CD1 3.78Å; A198-L213 HydrophobicContact CB-CD2 3.86Å; A198-L213 HydrophobicContact CB-CG 4.41Å; A198-F228 HydrophobicContact CB-CZ 4.19Å |
| 199 | F | 97.3 | Very high | 95.7 | Very high | 23 Ų | 23 | 78 Ų | 78 | 10% | 0.101 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 175.6 | -174.6 | -89.6 | 0 | 0 | 0 | 113.2 | L195 K196 A197 A201 T202 P203 W227 F228 R231 R232 | L195-F199 WeakPolarHBondContact O-CB 3.29Å; L195-F199 PolarHBondContact O-N 3.26Å; K196-F199 PolarHBondContact O-N 3.06Å; A197-F199 VanDerWaalsContact C-N 3.33Å; A197-F199 PolarHBondContact O-N 3.5Å; F199-A201 VanDerWaalsContact C-N 3.3Å; F199-T202 CarbonylContact O-C 3.57Å; F199-P203 HydrophobicContact CD2-CB 4.34Å; F199-P203 HydrophobicContact CE1-CB 4.31Å; F199-P203 HydrophobicContact CE2-CB 3.82Å; F199-P203 HydrophobicContact CZ-CB 3.8Å; F199-W227 HydrophobicContact CB-CH2 4.16Å; F199-W227 HydrophobicContact CB-CZ3 4.07Å; F199-W227 HydrophobicContact CD2-CZ3 4.26Å; F199-W227 HydrophobicContact CG-CZ3 4.46Å; F199-F228 HydrophobicContact CB-CE1 3.87Å; F199-F228 HydrophobicContact CB-CZ 4.41Å; F199-F228 AromaticContact CD2-CD1 3.64Å; F199-F228 HydrophobicContact CD2-CD1 3.64Å; F199-F228 AromaticContact CD2-CE1 3.71Å; F199-F228 HydrophobicContact CD2-CE1 3.71Å; F199-F228 HydrophobicContact CE2-CD1 4.37Å; F199-F228 HydrophobicContact CG-CE1 4.29Å; F199-R231 HydrophobicContact CD1-CG 4.14Å; F199-R231 HydrophobicContact CD2-CB 4.22Å; F199-R231 HydrophobicContact CD2-CG 3.58Å; F199-R231 HydrophobicContact CE1-CG 4.02Å; F199-R231 HydrophobicContact CE2-CB 3.99Å; F199-R231 HydrophobicContact CE2-CG 3.46Å; F199-R231 VanDerWaalsContact CE2-CG 3.46Å; F199-R231 HydrophobicContact CG-CG 3.94Å; F199-R231 HydrophobicContact CZ-CG 3.7Å; F199-R232 HydrophobicContact CE2-CG 3.74Å; F199-R232 HydrophobicContact CZ-CG 4.14Å |
| 200 | A | 95.7 | Very high | 95.9 | Very high | 87 Ų | 87 | 76.7 Ų | 76.7 | 72% | 0.719 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.7 | -36.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K196 A197 | K196-A200 PolarHBondContact O-N 3.27Å; A197-A200 PolarHBondContact O-N 3.19Å |
| 201 | A | 95.6 | Very high | 96.1 | Very high | 81 Ų | 81 | 71.3 Ų | 71.3 | 67% | 0.669 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -71.3 | -53 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A197 A198 F199 | A197-A201 PolarHBondContact O-N 2.85Å; A198-A201 PolarHBondContact O-N 3.48Å; F199-A201 VanDerWaalsContact C-N 3.3Å |
| 202 | T | 92.2 | Very high | 96.1 | Very high | 53 Ų | 53 | 73.8 Ų | 73.8 | 33% | 0.325 | 40% | 0.395 | S | S | . | . | trans | -140.2 | 110.2 | 178.6 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | A198 F199 K204 | A198-T202 PolarHBondContact O-N 3.27Å; F199-T202 CarbonylContact O-C 3.57Å; T202-K204 PolarHBondContact O-N 3.43Å | ||
| 203 | P | 93.7 | Very high | 96.2 | Very high | 62 Ų | 62 | 71.7 Ų | 71.7 | 40% | 0.403 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -70.4 | -16.3 | -178.5 | 25.9 | -33.9 | 0 | 0 | 0 | 113.2 | F199 R232 | F199-P203 HydrophobicContact CD2-CB 4.34Å; F199-P203 HydrophobicContact CE1-CB 4.31Å; F199-P203 HydrophobicContact CE2-CB 3.82Å; F199-P203 HydrophobicContact CZ-CB 3.8Å; P203-R232 VanDerWaalsContact O-CD 3.29Å; P203-R232 WeakPolarHBondContact O-CD 3.41Å; P203-R232 PolarHBondContact O-NH1 3.39Å |
| 204 | K | 94.9 | Very high | 96.2 | Very high | 165 Ų | 165 | 65.9 Ų | 65.9 | 72% | 0.717 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -122.6 | 75.7 | 174 | -68.3 | -177.9 | 179.9 | 177.6 | 0 | 109.5 | T202 | T202-K204 PolarHBondContact O-N 3.43Š|
| 205 | P | 95 | Very high | 96.3 | Very high | 10 Ų | 10 | 71.3 Ų | 71.3 | 7% | 0.065 | 38% | 0.382 | C | S | . | . | trans | -65.1 | 142.8 | -177.3 | 28.6 | -37.3 | 0 | 0 | 0 | 111.4 | I209 R210 F228 | P205-I209 HydrophobicContact CB-CB 4.02Å; P205-I209 HydrophobicContact CB-CG2 3.69Å; P205-R210 HydrophobicContact CB-CG 4.07Å; P205-R210 HydrophobicContact CG-CG 3.77Å; P205-R210 PolarHBondContact O-NE 3.45Å; P205-F228 HydrophobicContact CB-CE1 4.42Å; P205-F228 HydrophobicContact CG-CD1 3.54Å; P205-F228 HydrophobicContact CG-CD2 3.99Å; P205-F228 HydrophobicContact CG-CE1 3.54Å; P205-F228 HydrophobicContact CG-CE2 4.01Å; P205-F228 HydrophobicContact CG-CG 3.78Å; P205-F228 HydrophobicContact CG-CZ 3.8Å | ||
| 206 | T | 96.9 | Very high | 96.1 | Very high | 82 Ų | 82 | 76.8 Ų | 76.8 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | trans | -65.6 | 171.8 | 175.4 | 62 | 0 | 0 | 0 | 0 | 111.1 | H208 I209 R210 | T206-H208 VanDerWaalsContact C-N 3.33Å; T206-H208 PolarHBondContact O-N 3.45Å; T206-I209 WeakPolarHBondContact OG1-CD1 3.34Å; T206-I209 WeakPolarHBondContact OG1-CG1 3.36Å; T206-I209 PolarHBondContact OG1-N 2.93Å; T206-R210 WeakPolarHBondContact O-CG 3.47Å; T206-R210 PolarHBondContact O-N 3.39Å; T206-R210 VanDerWaalsContact O-N 3.15Å; T206-R210 PolarHBondContact O-NE 3.43Å | ||
| 207 | R | 95.8 | Very high | 96.1 | Very high | 180 Ų | 180 | 72.5 Ų | 72.5 | 68% | 0.679 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -57.7 | -47.8 | 176.2 | 178.2 | 179.9 | 170 | -177.8 | -2.9 | 111.2 | I209 R210 E211 | R207-I209 PolarHBondContact O-N 3.5Å; R207-R210 WeakPolarHBondContact O-CB 3.25Å; R207-R210 PolarHBondContact O-N 3.12Å; R207-R210 VanDerWaalsContact O-N 3.12Å; R207-E211 WeakPolarHBondContact CG-OE1 3.31Å; R207-E211 IonicContact CZ-OE1 3.27Å; R207-E211 IonicContact NE-OE1 3.87Å; R207-E211 PolarHBondContact NE-OE1 3.1Å; R207-E211 IonicContact NH2-OE1 2.77Å; R207-E211 PolarHBondContact NH2-OE1 3.19Å; R207-E211 PolarHBondContact O-N 2.83Å |
| 208 | H | 97.3 | Very high | 96 | Very high | 127 Ų | 127 | 72.4 Ų | 72.4 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.8 | -46.9 | -179.7 | -177.2 | 64.6 | 0 | 0 | 0 | 112.6 | T206 R210 E211 Q212 | T206-H208 VanDerWaalsContact C-N 3.33Å; T206-H208 PolarHBondContact O-N 3.45Å; H208-R210 VanDerWaalsContact C-N 3.27Å; H208-R210 PolarHBondContact O-N 3.42Å; H208-E211 WeakPolarHBondContact O-CB 3.4Å; H208-E211 PolarHBondContact O-N 3.15Å; H208-Q212 PolarHBondContact O-N 2.79Å |
| 209 | I | 96.7 | Very high | 95.9 | Very high | 49 Ų | 49 | 72.4 Ų | 72.4 | 25% | 0.251 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.3 | -38.4 | 177.3 | -64.2 | 168.6 | 0 | 0 | 0 | 110.9 | P205 T206 R207 E211 Q212 L213 | P205-I209 HydrophobicContact CB-CB 4.02Å; P205-I209 HydrophobicContact CB-CG2 3.69Å; T206-I209 WeakPolarHBondContact OG1-CD1 3.34Å; T206-I209 WeakPolarHBondContact OG1-CG1 3.36Å; T206-I209 PolarHBondContact OG1-N 2.93Å; R207-I209 PolarHBondContact O-N 3.5Å; I209-E211 VanDerWaalsContact C-N 3.34Å; I209-Q212 PolarHBondContact O-N 3.39Å; I209-L213 HydrophobicContact CG2-CD1 4.08Å; I209-L213 HydrophobicContact CG2-CG 4.47Å; I209-L213 WeakPolarHBondContact O-CB 3.06Å; I209-L213 VanDerWaalsContact O-CG 3.24Å; I209-L213 WeakPolarHBondContact O-CG 3.48Å; I209-L213 PolarHBondContact O-N 2.89Å |
| 210 | R | 97.3 | Very high | 95.8 | Very high | 58 Ų | 58 | 76.4 Ų | 76.4 | 22% | 0.219 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68 | -33.4 | 176 | -71.5 | -176.1 | -80.2 | 155.1 | -4.5 | 112.6 | P205 T206 R207 H208 A214 M221 I224 | P205-R210 HydrophobicContact CB-CG 4.07Å; P205-R210 HydrophobicContact CG-CG 3.77Å; P205-R210 PolarHBondContact O-NE 3.45Å; T206-R210 WeakPolarHBondContact O-CG 3.47Å; T206-R210 PolarHBondContact O-N 3.39Å; T206-R210 VanDerWaalsContact O-N 3.15Å; T206-R210 PolarHBondContact O-NE 3.43Å; R207-R210 WeakPolarHBondContact O-CB 3.25Å; R207-R210 PolarHBondContact O-N 3.12Å; R207-R210 VanDerWaalsContact O-N 3.12Å; H208-R210 VanDerWaalsContact C-N 3.27Å; H208-R210 PolarHBondContact O-N 3.42Å; R210-A214 WeakPolarHBondContact O-CB 3.32Å; R210-A214 PolarHBondContact O-N 3.38Å; R210-M221 HydrophobicContact CB-CE 4.34Å; R210-M221 HydrophobicContact CB-SD 3.86Å; R210-I224 HydrophobicContact CB-CG2 4.15Å; R210-I224 HydrophobicContact CG-CG2 4.03Å |
| 211 | E | 97.3 | Very high | 95.8 | Very high | 60 Ų | 60 | 75.1 Ų | 75.1 | 28% | 0.28 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.3 | -45.9 | 175.4 | -73.9 | 169 | 175.9 | 0 | 0 | 110.7 | R207 H208 I209 L213 A214 Q215 M221 | R207-E211 WeakPolarHBondContact CG-OE1 3.31Å; R207-E211 IonicContact CZ-OE1 3.27Å; R207-E211 IonicContact NE-OE1 3.87Å; R207-E211 PolarHBondContact NE-OE1 3.1Å; R207-E211 IonicContact NH2-OE1 2.77Å; R207-E211 PolarHBondContact NH2-OE1 3.19Å; R207-E211 PolarHBondContact O-N 2.83Å; H208-E211 WeakPolarHBondContact O-CB 3.4Å; H208-E211 PolarHBondContact O-N 3.15Å; I209-E211 VanDerWaalsContact C-N 3.34Å; E211-L213 PolarHBondContact O-N 3.31Å; E211-A214 WeakPolarHBondContact O-CB 3.48Å; E211-A214 PolarHBondContact O-N 3.5Å; E211-Q215 WeakPolarHBondContact O-CG 3.42Å; E211-Q215 PolarHBondContact O-N 3.44Å; E211-M221 VanDerWaalsContact CA-CE 3.4Å; E211-M221 HydrophobicContact CB-CE 3.94Å; E211-M221 HydrophobicContact CG-CE 3.29Å |
| 212 | Q | 96.7 | Very high | 95.7 | Very high | 87 Ų | 87 | 80 Ų | 80 | 41% | 0.407 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 173.1 | -176.8 | 178.9 | -3 | 0 | 0 | 111.7 | H208 I209 A214 Q215 E216 | H208-Q212 PolarHBondContact O-N 2.79Å; I209-Q212 PolarHBondContact O-N 3.39Å; Q212-A214 VanDerWaalsContact C-N 3.3Å; Q212-A214 PolarHBondContact O-N 3.36Å; Q212-Q215 PolarHBondContact O-N 3.08Å; Q212-Q215 VanDerWaalsContact O-N 3.16Å; Q212-E216 HydrophobicContact CG-CG 4.37Å; Q212-E216 VanDerWaalsContact CG-OE1 3.29Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.34Å; Q212-E216 PolarHBondContact NE2-OE1 2.89Å; Q212-E216 WeakPolarHBondContact O-CG 3.19Å; Q212-E216 PolarHBondContact O-N 3Å |
| 213 | L | 97.4 | Very high | 95.9 | Very high | 9 Ų | 9 | 78.6 Ų | 78.6 | 5% | 0.047 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.1 | -35.2 | 177.8 | -71.3 | 170.9 | 0 | 0 | 0 | 112.8 | T194 L195 A198 I209 E211 T217 I224 F228 | T194-L213 HydrophobicContact CG2-CD2 3.88Å; L195-L213 HydrophobicContact CD2-CD1 4.35Å; A198-L213 HydrophobicContact CB-CD1 3.78Å; A198-L213 HydrophobicContact CB-CD2 3.86Å; A198-L213 HydrophobicContact CB-CG 4.41Å; I209-L213 HydrophobicContact CG2-CD1 4.08Å; I209-L213 HydrophobicContact CG2-CG 4.47Å; I209-L213 WeakPolarHBondContact O-CB 3.06Å; I209-L213 VanDerWaalsContact O-CG 3.24Å; I209-L213 WeakPolarHBondContact O-CG 3.48Å; I209-L213 PolarHBondContact O-N 2.89Å; E211-L213 PolarHBondContact O-N 3.31Å; L213-T217 VanDerWaalsContact O-CB 3.28Å; L213-T217 WeakPolarHBondContact O-CB 3.48Å; L213-T217 VanDerWaalsContact O-CG2 3.31Å; L213-T217 WeakPolarHBondContact O-CG2 3.23Å; L213-T217 PolarHBondContact O-N 3.01Å; L213-T217 PolarHBondContact O-OG1 3.33Å; L213-I224 HydrophobicContact CB-CD1 4.3Å; L213-I224 HydrophobicContact CB-CG2 4.32Å; L213-I224 HydrophobicContact CD1-CG2 4.5Å; L213-F228 HydrophobicContact CD1-CE2 3.79Å; L213-F228 HydrophobicContact CD1-CZ 3.95Å |
| 214 | A | 97.6 | Very high | 96 | Very high | 16 Ų | 16 | 75.6 Ų | 75.6 | 13% | 0.132 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R210 E211 Q212 G218 L219 M221 I224 | R210-A214 WeakPolarHBondContact O-CB 3.32Å; R210-A214 PolarHBondContact O-N 3.38Å; E211-A214 WeakPolarHBondContact O-CB 3.48Å; E211-A214 PolarHBondContact O-N 3.5Å; Q212-A214 VanDerWaalsContact C-N 3.3Å; Q212-A214 PolarHBondContact O-N 3.36Å; A214-G218 VanDerWaalsContact O-CA 3.31Å; A214-G218 WeakPolarHBondContact O-CA 3.37Å; A214-G218 PolarHBondContact O-N 2.97Å; A214-L219 WeakPolarHBondContact CA-O 3.47Å; A214-L219 WeakPolarHBondContact CB-O 3.37Å; A214-L219 PolarHBondContact O-N 2.89Å; A214-M221 HydrophobicContact CB-CE 4.1Å; A214-I224 HydrophobicContact CB-CG1 4.2Å |
| 215 | Q | 96.7 | Very high | 96.1 | Very high | 161 Ų | 161 | 71.4 Ų | 71.4 | 75% | 0.752 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.2 | -48.3 | 176.3 | -68.5 | 171.4 | -3.1 | 0 | 0 | 111.8 | E211 Q212 | E211-Q215 WeakPolarHBondContact O-CG 3.42Å; E211-Q215 PolarHBondContact O-N 3.44Å; Q212-Q215 PolarHBondContact O-N 3.08Å; Q212-Q215 VanDerWaalsContact O-N 3.16Å |
| 216 | E | 94.9 | Very high | 96.2 | Very high | 115 Ų | 115 | 73.8 Ų | 73.8 | 54% | 0.537 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.1 | -37.5 | -178.1 | -71.4 | 176.2 | -173.8 | 0 | 0 | 113.1 | Q212 | Q212-E216 HydrophobicContact CG-CG 4.37Å; Q212-E216 VanDerWaalsContact CG-OE1 3.29Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.34Å; Q212-E216 PolarHBondContact NE2-OE1 2.89Å; Q212-E216 WeakPolarHBondContact O-CG 3.19Å; Q212-E216 PolarHBondContact O-N 3Å |
| 217 | T | 95 | Very high | 96.1 | Very high | 10 Ų | 10 | 71.3 Ų | 71.3 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -89.5 | -15.8 | -178.9 | 64.6 | 0 | 0 | 0 | 0 | 113.1 | Q191 T194 L213 L219 | Q191-T217 HydrophobicContact CB-CG2 4.38Å; Q191-T217 PolarHBondContact NE2-O 2.74Å; T194-T217 HydrophobicContact CG2-CG2 4.17Å; L213-T217 VanDerWaalsContact O-CB 3.28Å; L213-T217 WeakPolarHBondContact O-CB 3.48Å; L213-T217 VanDerWaalsContact O-CG2 3.31Å; L213-T217 WeakPolarHBondContact O-CG2 3.23Å; L213-T217 PolarHBondContact O-N 3.01Å; L213-T217 PolarHBondContact O-OG1 3.33Å; T217-L219 PolarHBondContact O-N 3.31Å; T217-L219 WeakPolarHBondContact OG1-CB 3.24Å; T217-L219 WeakPolarHBondContact OG1-CG 3.41Å; T217-L219 PolarHBondContact OG1-N 3.27Å |
| 218 | G | 95.3 | Very high | 96.2 | Very high | 66 Ų | 66 | 62.9 Ų | 62.9 | 68% | 0.68 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 18 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A214 | A214-G218 VanDerWaalsContact O-CA 3.31Å; A214-G218 WeakPolarHBondContact O-CA 3.37Å; A214-G218 PolarHBondContact O-N 2.97Å |
| 219 | L | 95.3 | Very high | 96.2 | Very high | 19 Ų | 19 | 61.1 Ų | 61.1 | 10% | 0.099 | 31% | 0.307 | C | S | . | . | trans | -93.6 | 144.5 | 177.8 | -62.8 | 173 | 0 | 0 | 0 | 110.2 | I187 Q191 L195 A214 T217 M221 I224 | I187-L219 HydrophobicContact CD1-CD1 4.46Å; I187-L219 HydrophobicContact CG1-CD1 4.09Å; I187-L219 HydrophobicContact CG1-CD2 4.4Å; I187-L219 HydrophobicContact CG2-CD1 4.03Å; Q191-L219 HydrophobicContact CB-CD1 4.24Å; L195-L219 HydrophobicContact CD1-CD1 4.08Å; A214-L219 WeakPolarHBondContact CA-O 3.47Å; A214-L219 WeakPolarHBondContact CB-O 3.37Å; A214-L219 PolarHBondContact O-N 2.89Å; T217-L219 PolarHBondContact O-N 3.31Å; T217-L219 WeakPolarHBondContact OG1-CB 3.24Å; T217-L219 WeakPolarHBondContact OG1-CG 3.41Å; T217-L219 PolarHBondContact OG1-N 3.27Å; L219-M221 PolarHBondContact O-N 3.22Å; L219-I224 HydrophobicContact CB-CD1 3.92Å; L219-I224 HydrophobicContact CB-CG1 4.27Å; L219-I224 HydrophobicContact CD1-CD1 4.01Å | ||
| 220 | N | 95.1 | Very high | 96.2 | Very high | 107 Ų | 107 | 63.6 Ų | 63.6 | 57% | 0.572 | 32% | 0.32 | S | S | * | . | trans | -58.5 | 138.6 | 175.5 | -173.6 | -46.5 | 0 | 0 | 0 | 110.9 | R222 V223 I224 | N220-R222 PolarHBondContact O-N 3.28Å; N220-R222 VanDerWaalsContact O-N 3.08Å; N220-R222 PolarHBondContact OD1-N 3.2Å; N220-V223 HydrophobicContact CB-CG2 4.04Å; N220-V223 WeakPolarHBondContact O-CA 3.41Å; N220-V223 VanDerWaalsContact O-CB 3.28Å; N220-V223 WeakPolarHBondContact O-CB 3.3Å; N220-V223 PolarHBondContact O-N 2.8Å; N220-I224 PolarHBondContact O-N 3.46Å; N220-I224 VanDerWaalsContact O-N 3.16Å | ||
| 221 | M | 94.8 | Very high | 96.1 | Very high | 60 Ų | 60 | 65.5 Ų | 65.5 | 30% | 0.296 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -43.5 | -43.6 | 175.8 | 176.4 | 54.1 | 61.3 | 0 | 0 | 113.5 | R210 E211 A214 L219 V223 I224 Q225 | R210-M221 HydrophobicContact CB-CE 4.34Å; R210-M221 HydrophobicContact CB-SD 3.86Å; E211-M221 VanDerWaalsContact CA-CE 3.4Å; E211-M221 HydrophobicContact CB-CE 3.94Å; E211-M221 HydrophobicContact CG-CE 3.29Å; A214-M221 HydrophobicContact CB-CE 4.1Å; L219-M221 PolarHBondContact O-N 3.22Å; M221-V223 VanDerWaalsContact C-N 3.31Å; M221-V223 PolarHBondContact O-N 3.41Å; M221-I224 PolarHBondContact O-N 3.01Å; M221-Q225 PolarHBondContact O-N 3.38Å |
| 222 | R | 94.3 | Very high | 96 | Very high | 183 Ų | 183 | 66.2 Ų | 66.2 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.8 | -36 | 178.9 | -177.7 | 176.1 | -80.3 | 140.9 | -5.6 | 111.8 | N220 Q225 V226 | N220-R222 PolarHBondContact O-N 3.28Å; N220-R222 VanDerWaalsContact O-N 3.08Å; N220-R222 PolarHBondContact OD1-N 3.2Å; R222-Q225 PolarHBondContact O-N 3.39Å; R222-V226 HydrophobicContact CG-CG2 4.38Å; R222-V226 WeakPolarHBondContact O-CB 3.27Å; R222-V226 VanDerWaalsContact O-CG2 3.23Å; R222-V226 WeakPolarHBondContact O-CG2 3.45Å; R222-V226 PolarHBondContact O-N 3.24Å |
| 223 | V | 95.7 | Very high | 95.9 | Very high | 24 Ų | 24 | 65.5 Ų | 65.5 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 177.1 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | T185 I187 N220 M221 Q225 V226 W227 | T185-V223 HydrophobicContact CG2-CG2 3.89Å; I187-V223 HydrophobicContact CD1-CG1 4.04Å; I187-V223 HydrophobicContact CG1-CG1 4.26Å; N220-V223 HydrophobicContact CB-CG2 4.04Å; N220-V223 WeakPolarHBondContact O-CA 3.41Å; N220-V223 VanDerWaalsContact O-CB 3.28Å; N220-V223 WeakPolarHBondContact O-CB 3.3Å; N220-V223 PolarHBondContact O-N 2.8Å; M221-V223 VanDerWaalsContact C-N 3.31Å; M221-V223 PolarHBondContact O-N 3.41Å; V223-Q225 PolarHBondContact O-N 2.88Å; V223-V226 PolarHBondContact O-N 3.17Å; V223-W227 VanDerWaalsContact O-CB 3.29Å; V223-W227 WeakPolarHBondContact O-CB 3.42Å; V223-W227 PolarHBondContact O-N 2.84Å |
| 224 | I | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.3 | -49.6 | 174.4 | -57.9 | -69.9 | 0 | 0 | 0 | 110.3 | L195 R210 L213 A214 L219 N220 M221 V226 W227 F228 | L195-I224 HydrophobicContact CD1-CD1 4.48Å; L195-I224 HydrophobicContact CD2-CD1 3.54Å; L195-I224 HydrophobicContact CD2-CG2 4.46Å; R210-I224 HydrophobicContact CB-CG2 4.15Å; R210-I224 HydrophobicContact CG-CG2 4.03Å; L213-I224 HydrophobicContact CB-CD1 4.3Å; L213-I224 HydrophobicContact CB-CG2 4.32Å; L213-I224 HydrophobicContact CD1-CG2 4.5Å; A214-I224 HydrophobicContact CB-CG1 4.2Å; L219-I224 HydrophobicContact CB-CD1 3.92Å; L219-I224 HydrophobicContact CB-CG1 4.27Å; L219-I224 HydrophobicContact CD1-CD1 4.01Å; N220-I224 PolarHBondContact O-N 3.46Å; N220-I224 VanDerWaalsContact O-N 3.16Å; M221-I224 PolarHBondContact O-N 3.01Å; I224-V226 PolarHBondContact O-N 3.48Å; I224-W227 PolarHBondContact O-N 3.34Å; I224-F228 HydrophobicContact CG2-CD2 4.04Å; I224-F228 HydrophobicContact CG2-CE2 4.1Å; I224-F228 WeakPolarHBondContact O-CD2 3.42Å; I224-F228 PolarHBondContact O-N 3.02Å; I224-F228 VanDerWaalsContact O-N 3.08Å |
| 225 | Q | 96.3 | Very high | 95.4 | Very high | 76 Ų | 76 | 74 Ų | 74 | 36% | 0.355 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.9 | -49.5 | 178.6 | -179.4 | 178.4 | 6.9 | 0 | 0 | 112.3 | M221 R222 V223 W227 F228 Q229 | M221-Q225 PolarHBondContact O-N 3.38Å; R222-Q225 PolarHBondContact O-N 3.39Å; V223-Q225 PolarHBondContact O-N 2.88Å; Q225-W227 VanDerWaalsContact C-N 3.32Å; Q225-W227 PolarHBondContact O-N 3.25Å; Q225-F228 PolarHBondContact O-N 3.31Å; Q225-Q229 WeakPolarHBondContact O-CG 3.45Å; Q225-Q229 PolarHBondContact O-N 2.92Å |
| 226 | V | 96.3 | Very high | 95.1 | Very high | 61 Ų | 61 | 74.6 Ų | 74.6 | 37% | 0.37 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 179.5 | 170.4 | 0 | 0 | 0 | 0 | 111 | R222 V223 I224 Q229 N230 | R222-V226 HydrophobicContact CG-CG2 4.38Å; R222-V226 WeakPolarHBondContact O-CB 3.27Å; R222-V226 VanDerWaalsContact O-CG2 3.23Å; R222-V226 WeakPolarHBondContact O-CG2 3.45Å; R222-V226 PolarHBondContact O-N 3.24Å; V223-V226 PolarHBondContact O-N 3.17Å; I224-V226 PolarHBondContact O-N 3.48Å; V226-Q229 PolarHBondContact O-N 2.97Å; V226-N230 WeakPolarHBondContact CG1-ND2 3.48Å; V226-N230 WeakPolarHBondContact O-CB 3.09Å; V226-N230 VanDerWaalsContact O-CG 3.31Å; V226-N230 PolarHBondContact O-N 3.19Å; V226-N230 PolarHBondContact O-ND2 3.46Å |
| 227 | W | 96.4 | Very high | 94.8 | Very high | 30 Ų | 30 | 77.6 Ų | 77.6 | 11% | 0.114 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.5 | -48.8 | 176.8 | -174.3 | 95.6 | 0 | 0 | 0 | 111.5 | I187 L192 L195 K196 F199 V223 I224 Q225 Q229 N230 R231 | I187-W227 VanDerWaalsContact CD1-CD1 3.46Å; I187-W227 HydrophobicContact CD1-CG 4.27Å; L192-W227 HydrophobicContact CD1-CZ2 3.79Å; L192-W227 VanDerWaalsContact CD1-NE1 3.26Å; L195-W227 HydrophobicContact CB-CD2 4.14Å; L195-W227 HydrophobicContact CB-CE3 4.04Å; L195-W227 HydrophobicContact CB-CH2 3.65Å; L195-W227 HydrophobicContact CB-CZ2 3.73Å; L195-W227 HydrophobicContact CB-CZ3 3.81Å; L195-W227 HydrophobicContact CD1-CD2 3.91Å; L195-W227 HydrophobicContact CD1-CE3 4.42Å; L195-W227 HydrophobicContact CD1-CG 3.99Å; L195-W227 WeakPolarHBondContact O-CH2 3.29Å; L195-W227 WeakPolarHBondContact O-CZ3 3.36Å; K196-W227 HydrophobicContact CG-CH2 4.45Å; K196-W227 HydrophobicContact CG-CZ2 4.36Å; F199-W227 HydrophobicContact CB-CH2 4.16Å; F199-W227 HydrophobicContact CB-CZ3 4.07Å; F199-W227 HydrophobicContact CD2-CZ3 4.26Å; F199-W227 HydrophobicContact CG-CZ3 4.46Å; V223-W227 VanDerWaalsContact O-CB 3.29Å; V223-W227 WeakPolarHBondContact O-CB 3.42Å; V223-W227 PolarHBondContact O-N 2.84Å; I224-W227 PolarHBondContact O-N 3.34Å; Q225-W227 VanDerWaalsContact C-N 3.32Å; Q225-W227 PolarHBondContact O-N 3.25Å; W227-Q229 VanDerWaalsContact C-N 3.34Å; W227-Q229 PolarHBondContact O-N 2.88Å; W227-N230 PolarHBondContact O-N 2.99Å; W227-R231 HydrophobicContact CE3-CB 4.28Å; W227-R231 HydrophobicContact CH2-CB 4.41Å; W227-R231 HydrophobicContact CH2-CG 4.03Å; W227-R231 HydrophobicContact CZ3-CB 4.16Å; W227-R231 HydrophobicContact CZ3-CG 4.13Å; W227-R231 VanDerWaalsContact O-CB 3.25Å; W227-R231 WeakPolarHBondContact O-CB 3.44Å; W227-R231 PolarHBondContact O-N 2.87Å |
| 228 | F | 97.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 82.2 Ų | 82.2 | 1% | 0.009 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.2 | -36 | 178.2 | -87.6 | -90.1 | 0 | 0 | 0 | 112.5 | L195 A198 F199 P205 L213 I224 Q225 R232 | L195-F228 HydrophobicContact CD2-CE2 4Å; A198-F228 HydrophobicContact CB-CZ 4.19Å; F199-F228 HydrophobicContact CB-CE1 3.87Å; F199-F228 HydrophobicContact CB-CZ 4.41Å; F199-F228 AromaticContact CD2-CD1 3.64Å; F199-F228 HydrophobicContact CD2-CD1 3.64Å; F199-F228 AromaticContact CD2-CE1 3.71Å; F199-F228 HydrophobicContact CD2-CE1 3.71Å; F199-F228 HydrophobicContact CE2-CD1 4.37Å; F199-F228 HydrophobicContact CG-CE1 4.29Å; P205-F228 HydrophobicContact CB-CE1 4.42Å; P205-F228 HydrophobicContact CG-CD1 3.54Å; P205-F228 HydrophobicContact CG-CD2 3.99Å; P205-F228 HydrophobicContact CG-CE1 3.54Å; P205-F228 HydrophobicContact CG-CE2 4.01Å; P205-F228 HydrophobicContact CG-CG 3.78Å; P205-F228 HydrophobicContact CG-CZ 3.8Å; L213-F228 HydrophobicContact CD1-CE2 3.79Å; L213-F228 HydrophobicContact CD1-CZ 3.95Å; I224-F228 HydrophobicContact CG2-CD2 4.04Å; I224-F228 HydrophobicContact CG2-CE2 4.1Å; I224-F228 WeakPolarHBondContact O-CD2 3.42Å; I224-F228 PolarHBondContact O-N 3.02Å; I224-F228 VanDerWaalsContact O-N 3.08Å; Q225-F228 PolarHBondContact O-N 3.31Å; F228-R232 WeakPolarHBondContact O-CG 3.47Å; F228-R232 PolarHBondContact O-N 2.82Å; F228-R232 VanDerWaalsContact O-N 3.08Å |
| 229 | Q | 96.2 | Very high | 93.7 | Very high | 90 Ų | 90 | 85.3 Ų | 85.3 | 42% | 0.421 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.1 | -49.8 | 173.3 | -73 | 174.5 | 6.6 | 0 | 0 | 111.6 | Q225 V226 W227 R231 R232 S233 | Q225-Q229 WeakPolarHBondContact O-CG 3.45Å; Q225-Q229 PolarHBondContact O-N 2.92Å; V226-Q229 PolarHBondContact O-N 2.97Å; W227-Q229 VanDerWaalsContact C-N 3.34Å; W227-Q229 PolarHBondContact O-N 2.88Å; Q229-R231 VanDerWaalsContact C-N 3.33Å; Q229-R231 PolarHBondContact O-N 3.26Å; Q229-R232 PolarHBondContact O-N 2.97Å; Q229-S233 WeakPolarHBondContact O-CB 3.37Å; Q229-S233 PolarHBondContact O-N 3.32Å |
| 230 | N | 96.6 | Very high | 92.9 | Very high | 101 Ų | 101 | 90 Ų | 90 | 54% | 0.54 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 178.8 | -73.5 | -17.4 | 0 | 0 | 0 | 111.8 | V226 W227 S233 K234 | V226-N230 WeakPolarHBondContact CG1-ND2 3.48Å; V226-N230 WeakPolarHBondContact O-CB 3.09Å; V226-N230 VanDerWaalsContact O-CG 3.31Å; V226-N230 PolarHBondContact O-N 3.19Å; V226-N230 PolarHBondContact O-ND2 3.46Å; W227-N230 PolarHBondContact O-N 2.99Å; N230-S233 PolarHBondContact O-N 3.45Å; N230-K234 WeakPolarHBondContact O-CB 3.47Å; N230-K234 PolarHBondContact O-N 2.89Å |
| 231 | R | 95.5 | Very high | 92 | Very high | 99 Ų | 99 | 89.8 Ų | 89.8 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.6 | -49.4 | 177.3 | -174.2 | 66.7 | 179.6 | -180 | 2.5 | 111.4 | F199 W227 Q229 K234 E235 | F199-R231 HydrophobicContact CD1-CG 4.14Å; F199-R231 HydrophobicContact CD2-CB 4.22Å; F199-R231 HydrophobicContact CD2-CG 3.58Å; F199-R231 HydrophobicContact CE1-CG 4.02Å; F199-R231 HydrophobicContact CE2-CB 3.99Å; F199-R231 HydrophobicContact CE2-CG 3.46Å; F199-R231 VanDerWaalsContact CE2-CG 3.46Å; F199-R231 HydrophobicContact CG-CG 3.94Å; F199-R231 HydrophobicContact CZ-CG 3.7Å; W227-R231 HydrophobicContact CE3-CB 4.28Å; W227-R231 HydrophobicContact CH2-CB 4.41Å; W227-R231 HydrophobicContact CH2-CG 4.03Å; W227-R231 HydrophobicContact CZ3-CB 4.16Å; W227-R231 HydrophobicContact CZ3-CG 4.13Å; W227-R231 VanDerWaalsContact O-CB 3.25Å; W227-R231 WeakPolarHBondContact O-CB 3.44Å; W227-R231 PolarHBondContact O-N 2.87Å; Q229-R231 VanDerWaalsContact C-N 3.33Å; Q229-R231 PolarHBondContact O-N 3.26Å; R231-K234 PolarHBondContact O-N 3.47Å; R231-E235 PolarHBondContact O-N 2.88Å |
| 232 | R | 95.8 | Very high | 91.3 | Very high | 74 Ų | 74 | 91 Ų | 91 | 28% | 0.279 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 175.1 | -70.9 | -167.2 | -61.1 | -86.3 | -2.1 | 112.7 | F199 P203 F228 Q229 E235 R236 | F199-R232 HydrophobicContact CE2-CG 3.74Å; F199-R232 HydrophobicContact CZ-CG 4.14Å; P203-R232 VanDerWaalsContact O-CD 3.29Å; P203-R232 WeakPolarHBondContact O-CD 3.41Å; P203-R232 PolarHBondContact O-NH1 3.39Å; F228-R232 WeakPolarHBondContact O-CG 3.47Å; F228-R232 PolarHBondContact O-N 2.82Å; F228-R232 VanDerWaalsContact O-N 3.08Å; Q229-R232 PolarHBondContact O-N 2.97Å; R232-E235 PolarHBondContact O-N 2.99Å; R232-R236 PolarHBondContact O-N 3.27Å |
| 233 | S | 94.3 | Very high | 90.2 | Very high | 73 Ų | 73 | 85.7 Ų | 85.7 | 51% | 0.51 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 177.3 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | Q229 N230 R236 R237 | Q229-S233 WeakPolarHBondContact O-CB 3.37Å; Q229-S233 PolarHBondContact O-N 3.32Å; N230-S233 PolarHBondContact O-N 3.45Å; S233-R236 PolarHBondContact O-N 2.97Å; S233-R237 PolarHBondContact O-N 3.36Å |
| 234 | K | 92.6 | Very high | 88.7 | Confident | 132 Ų | 132 | 90.4 Ų | 90.4 | 57% | 0.574 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.3 | -45.1 | 174.8 | -172.4 | 174.3 | -178.3 | 176.4 | 0 | 111.4 | N230 R231 R236 R237 M238 | N230-K234 WeakPolarHBondContact O-CB 3.47Å; N230-K234 PolarHBondContact O-N 2.89Å; R231-K234 PolarHBondContact O-N 3.47Å; K234-R236 PolarHBondContact O-N 2.71Å; K234-R237 PolarHBondContact O-N 2.93Å; K234-M238 HydrophobicContact CG-CG 4.34Å; K234-M238 VanDerWaalsContact O-CG 3.27Å; K234-M238 WeakPolarHBondContact O-CG 3.2Å; K234-M238 PolarHBondContact O-N 3.27Å |
| 235 | E | 91.9 | Very high | 86.8 | Confident | 71 Ų | 71 | 91.5 Ų | 91.5 | 33% | 0.332 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 178.1 | -168.8 | -170 | 177.9 | 0 | 0 | 112.2 | R231 R232 R237 M238 K239 | R231-E235 PolarHBondContact O-N 2.88Å; R232-E235 PolarHBondContact O-N 2.99Å; E235-R237 PolarHBondContact O-N 3.43Å; E235-M238 PolarHBondContact O-N 3.47Å; E235-K239 HydrophobicContact CG-CD 4.3Å; E235-K239 WeakPolarHBondContact O-CB 3.4Å; E235-K239 WeakPolarHBondContact O-CG 3.49Å; E235-K239 PolarHBondContact O-N 3.15Å; E235-K239 WeakPolarHBondContact OE1-CE 3.29Å; E235-K239 IonicContact OE1-NZ 3.3Å; E235-K239 PolarHBondContact OE1-NZ 2.8Å |
| 236 | R | 91.2 | Very high | 84.7 | Confident | 173 Ų | 173 | 91.8 Ų | 91.8 | 65% | 0.653 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | 176.4 | -172.6 | -176.6 | -69.3 | 155 | -6.3 | 111.6 | R232 S233 K234 K239 Q240 | R232-R236 PolarHBondContact O-N 3.27Å; S233-R236 PolarHBondContact O-N 2.97Å; K234-R236 PolarHBondContact O-N 2.71Å; R236-K239 PolarHBondContact O-N 3.39Å; R236-Q240 WeakPolarHBondContact O-CG 3.34Å; R236-Q240 PolarHBondContact O-N 3.43Å |
| 237 | R | 88.3 | Confident | 82.7 | Confident | 178 Ų | 178 | 99.5 Ų | 99.5 | 67% | 0.672 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.9 | -41.6 | 177.6 | -168.6 | 175.2 | -174.1 | 154.2 | 1.7 | 111.8 | S233 K234 E235 Q240 L241 | S233-R237 PolarHBondContact O-N 3.36Å; K234-R237 PolarHBondContact O-N 2.93Å; E235-R237 PolarHBondContact O-N 3.43Å; R237-Q240 PolarHBondContact O-N 2.95Å; R237-L241 HydrophobicContact CG-CD1 4.22Å; R237-L241 VanDerWaalsContact O-CG 3.3Å; R237-L241 WeakPolarHBondContact O-CG 3.3Å; R237-L241 PolarHBondContact O-N 2.92Å |
| 238 | M | 82.6 | Confident | 80.5 | Confident | 107 Ų | 107 | 108 Ų | 108 | 53% | 0.527 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 176.3 | -66 | -61.3 | -85.3 | 0 | 0 | 111.3 | K234 E235 Q240 L241 S242 | K234-M238 HydrophobicContact CG-CG 4.34Å; K234-M238 VanDerWaalsContact O-CG 3.27Å; K234-M238 WeakPolarHBondContact O-CG 3.2Å; K234-M238 PolarHBondContact O-N 3.27Å; E235-M238 PolarHBondContact O-N 3.47Å; M238-Q240 PolarHBondContact O-N 3.18Å; M238-L241 PolarHBondContact O-N 3.23Å; M238-S242 WeakPolarHBondContact O-CB 3.38Å; M238-S242 PolarHBondContact O-N 3.49Å; M238-S242 PolarHBondContact O-OG 3.41Å; M238-S242 VanDerWaalsContact O-OG 3.12Å |
| 239 | K | 84.2 | Confident | 78.2 | Confident | 132 Ų | 132 | 114.9 Ų | 114.9 | 57% | 0.574 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.8 | -41.3 | 174.7 | -78.2 | 173.4 | 170.6 | 167.1 | 0 | 112.3 | E235 R236 S242 A243 | E235-K239 HydrophobicContact CG-CD 4.3Å; E235-K239 WeakPolarHBondContact O-CB 3.4Å; E235-K239 WeakPolarHBondContact O-CG 3.49Å; E235-K239 PolarHBondContact O-N 3.15Å; E235-K239 WeakPolarHBondContact OE1-CE 3.29Å; E235-K239 IonicContact OE1-NZ 3.3Å; E235-K239 PolarHBondContact OE1-NZ 2.8Å; R236-K239 PolarHBondContact O-N 3.39Å; K239-S242 PolarHBondContact O-N 2.87Å; K239-A243 VanDerWaalsContact O-CB 3.3Å; K239-A243 WeakPolarHBondContact O-CB 3.48Å; K239-A243 PolarHBondContact O-N 3.4Å |
| 240 | Q | 78.9 | Confident | 76 | Confident | 116 Ų | 116 | 114.6 Ų | 114.6 | 54% | 0.542 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.6 | -41.9 | 175 | -73.9 | 174.1 | -7.7 | 0 | 0 | 112.5 | R236 R237 M238 L244 | R236-Q240 WeakPolarHBondContact O-CG 3.34Å; R236-Q240 PolarHBondContact O-N 3.43Å; R237-Q240 PolarHBondContact O-N 2.95Å; M238-Q240 PolarHBondContact O-N 3.18Å; Q240-L244 WeakPolarHBondContact O-CG 3.47Å; Q240-L244 PolarHBondContact O-N 3.48Å; Q240-L244 VanDerWaalsContact O-N 3.15Å |
| 241 | L | 75.9 | Confident | 73.8 | Confident | 103 Ų | 103 | 118.3 Ų | 118.3 | 54% | 0.539 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.1 | -41.2 | 176.8 | -71.5 | 168.1 | 0 | 0 | 0 | 112 | R237 M238 L244 G245 | R237-L241 HydrophobicContact CG-CD1 4.22Å; R237-L241 VanDerWaalsContact O-CG 3.3Å; R237-L241 WeakPolarHBondContact O-CG 3.3Å; R237-L241 PolarHBondContact O-N 2.92Å; M238-L241 PolarHBondContact O-N 3.23Å; L241-L244 PolarHBondContact O-N 2.98Å; L241-G245 PolarHBondContact O-N 2.95Å |
| 242 | S | 79.2 | Confident | 71.6 | Confident | 85 Ų | 85 | 122.6 Ų | 122.6 | 59% | 0.594 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.2 | -39.8 | 176.4 | -62.8 | 0 | 0 | 0 | 0 | 112.5 | M238 K239 L244 G245 | M238-S242 WeakPolarHBondContact O-CB 3.38Å; M238-S242 PolarHBondContact O-N 3.49Å; M238-S242 PolarHBondContact O-OG 3.41Å; M238-S242 VanDerWaalsContact O-OG 3.12Å; K239-S242 PolarHBondContact O-N 2.87Å; S242-L244 VanDerWaalsContact C-N 3.3Å; S242-L244 PolarHBondContact O-N 3.15Å; S242-G245 PolarHBondContact O-N 3.12Å |
| 243 | A | 71.5 | Confident | 69.3 | Low | 73 Ų | 73 | 129.7 Ų | 129.7 | 60% | 0.603 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65 | -32.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K239 | K239-A243 VanDerWaalsContact O-CB 3.3Å; K239-A243 WeakPolarHBondContact O-CB 3.48Å; K239-A243 PolarHBondContact O-N 3.4Å |
| 244 | L | 63.7 | Low | 66.5 | Low | 122 Ų | 122 | 131.3 Ų | 131.3 | 64% | 0.639 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -84.5 | -17.3 | 175.7 | -67.5 | 170.4 | 0 | 0 | 0 | 113.4 | Q240 L241 S242 | Q240-L244 WeakPolarHBondContact O-CG 3.47Å; Q240-L244 PolarHBondContact O-N 3.48Å; Q240-L244 VanDerWaalsContact O-N 3.15Å; L241-L244 PolarHBondContact O-N 2.98Å; S242-L244 VanDerWaalsContact C-N 3.3Å; S242-L244 PolarHBondContact O-N 3.15Å |
| 245 | G | 56.9 | Low | 64.2 | Low | 24 Ų | 24 | 130.7 Ų | 130.7 | 25% | 0.247 | 65% | 0.646 | C | S | . | * | H | α-helix | trans | -70.1 | -34.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L241 S242 R247 R248 H249 | L241-G245 PolarHBondContact O-N 2.95Å; S242-G245 PolarHBondContact O-N 3.12Å; G245-R247 VanDerWaalsContact C-N 3.26Å; G245-R247 PolarHBondContact O-N 3.18Å; G245-R248 PolarHBondContact O-N 3.23Å; G245-H249 PolarHBondContact O-CD2 3.16Å |
| 246 | A | 54 | Low | 62 | Low | 81 Ų | 81 | 138.6 Ų | 138.6 | 67% | 0.669 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -25.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 247 | R | 52.4 | Low | 59.8 | Low | 224 Ų | 224 | 141.9 Ų | 141.9 | 85% | 0.845 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -9.4 | 178 | -74.7 | -169.1 | 173.9 | -172.7 | -1.2 | 114.7 | G245 | G245-R247 VanDerWaalsContact C-N 3.26Å; G245-R247 PolarHBondContact O-N 3.18Å |
| 248 | R | 50.5 | Low | 57.4 | Low | 208 Ų | 208 | 142.4 Ų | 142.4 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -6.9 | -178.7 | -67.8 | -170.8 | 175.9 | -129.2 | -0.5 | 113.9 | G245 | G245-R248 PolarHBondContact O-N 3.23Š|
| 249 | H | 49.9 | Very low | 55.5 | Low | 146 Ų | 146 | 148.3 Ų | 148.3 | 68% | 0.676 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 3.2 | -178.1 | -80.8 | -67.5 | 0 | 0 | 0 | 115.7 | G245 | G245-H249 PolarHBondContact O-CD2 3.16Š|
| 250 | A | 50.3 | Low | 53.5 | Low | 84 Ų | 84 | 148 Ų | 148 | 69% | 0.694 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -15 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 251 | F | 49.7 | Very low | 51.4 | Low | 179 Ų | 179 | 151 Ų | 151 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -111.2 | -3.8 | -171.9 | -68 | -75.6 | 0 | 0 | 0 | 115.8 | ||
| 252 | F | 50.6 | Low | 49.5 | Very low | 189 Ų | 189 | 150 Ų | 150 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -129.5 | 19.4 | -174.2 | -91.2 | -79.8 | 0 | 0 | 0 | 116.3 | ||
| 253 | R | 46 | Very low | 47.2 | Very low | 224 Ų | 224 | 150 Ų | 150 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | -126.2 | 78.6 | 162.9 | -80 | -166.5 | 176.2 | -169.3 | 0.3 | 110.8 | ||||
| 254 | S | 36.6 | Very low | 45.6 | Very low | 106 Ų | 106 | 158.3 Ų | 158.3 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -96.8 | 110.6 | 149.6 | -172.7 | 0 | 0 | 0 | 0 | 107.1 | R256 | S254-R256 PolarHBondContact O-N 3.12Å; S254-R256 VanDerWaalsContact O-N 3.12Å | ||
| 255 | P | 43.1 | Very low | 44.3 | Very low | 119 Ų | 119 | 160.6 Ų | 160.6 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -69 | 104.9 | 165.4 | -6.4 | 22.8 | 0 | 0 | 0 | 106.8 | R257 | P255-R257 PolarHBondContact O-N 3.09Å; P255-R257 VanDerWaalsContact O-N 3.09Å | ||
| 256 | R | 46.7 | Very low | 43.2 | Very low | 237 Ų | 237 | 165.4 Ų | 165.4 | 89% | 0.894 | 82% | 0.82 | S | S | * | * | trans | -63.5 | 113.4 | 166.5 | -74 | -172.5 | -166.6 | -152.6 | 2.6 | 107.5 | S254 M258 | S254-R256 PolarHBondContact O-N 3.12Å; S254-R256 VanDerWaalsContact O-N 3.12Å; R256-M258 PolarHBondContact O-N 3.48Å | ||
| 257 | R | 44 | Very low | 41.9 | Very low | 243 Ų | 243 | 169.2 Ų | 169.2 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -50.9 | 120.4 | 157.8 | -82.5 | 179.3 | -179.6 | 157.9 | -0.7 | 107.8 | P255 R259 | P255-R257 PolarHBondContact O-N 3.09Å; P255-R257 VanDerWaalsContact O-N 3.09Å; R257-R259 PolarHBondContact O-N 3.43Å | ||
| 258 | M | 38.8 | Very low | 40.9 | Very low | 189 Ų | 189 | 163.1 Ų | 163.1 | 93% | 0.931 | 82% | 0.816 | S | S | * | * | trans | -66.3 | 127.2 | 162.7 | -73.2 | -72.5 | -137.2 | 0 | 0 | 108.2 | R256 | R256-M258 PolarHBondContact O-N 3.48Š| ||
| 259 | R | 42.9 | Very low | 40.1 | Very low | 231 Ų | 231 | 161.3 Ų | 161.3 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | -109.1 | 129.8 | 165.1 | -175.4 | 160.7 | 176.4 | 144.8 | -4.8 | 106.9 | R257 | R257-R259 PolarHBondContact O-N 3.43Š| ||
| 260 | P | 41.6 | Very low | 39.4 | Very low | 125 Ų | 125 | 161.3 Ų | 161.3 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -78 | 150.2 | -177.1 | 32.4 | -31.9 | 0 | 0 | 0 | 110.2 | ||||
| 261 | L | 36.3 | Very low | 38.8 | Very low | 180 Ų | 180 | 164.7 Ų | 164.7 | 94% | 0.942 | 82% | 0.824 | S | S | * | * | trans | -123.4 | 122.7 | -178.2 | -137.6 | 154 | 0 | 0 | 0 | 108.1 | ||||
| 262 | G | 34.3 | Very low | 37.9 | Very low | 82 Ų | 82 | 160 Ų | 160 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | 131 | 100 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 263 | G | 31 | Very low | 37 | Very low | 85 Ų | 85 | 155.9 Ų | 155.9 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | trans | -169.9 | 98.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 264 | R | 38.4 | Very low | 36.2 | Very low | 247 Ų | 247 | 151.5 Ų | 151.5 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | trans | -95.6 | 144.3 | -175.3 | -168.8 | -165.2 | -169.8 | -151.6 | 3.6 | 109.2 | ||||
| 265 | L | 36 | Very low | 37.2 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | trans | 146.4 | 142.9 | 162.6 | -83.3 | 164.7 | 0 | 0 | 0 | 105.7 | ||||
| 266 | D | 33.3 | Very low | 36.8 | Very low | 126 Ų | 126 | 156.4 Ų | 156.4 | 67% | 0.674 | 82% | 0.821 | S | S | * | * | cis | -176 | 162.7 | -15.7 | -176.4 | 40.8 | 0 | 0 | 0 | 104.9 | ||||
| 267 | E | 28.6 | Very low | 36 | Very low | 160 Ų | 160 | 151.5 Ų | 151.5 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | 78.3 | 114.6 | 149 | -146.6 | 145.7 | 92.1 | 0 | 0 | 123.5 | ||||
| 268 | S | 30.9 | Very low | 35.5 | Very low | 96 Ų | 96 | 149.8 Ų | 149.8 | 67% | 0.671 | 81% | 0.812 | S | S | * | * | trans | 46.5 | 137.8 | 133.1 | -69.2 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 269 | E | 34.3 | Very low | 35.4 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | 67.1 | 151.2 | 145.2 | -70 | -177.6 | 134.7 | 0 | 0 | 118 | ||||
| 270 | M | 33.8 | Very low | 34.9 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | cis | -167.7 | 154.9 | -2.4 | -117.2 | -137.9 | 171.4 | 0 | 0 | 107.2 | ||||
| 271 | L | 38.8 | Very low | 34.6 | Very low | 156 Ų | 156 | 144.4 Ų | 144.4 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | trans | 15.9 | 143.6 | 152.1 | -81.1 | 141.4 | 0 | 0 | 0 | 122.7 | ||||
| 272 | G | 29.1 | Very low | 34.3 | Very low | 79 Ų | 79 | 145.5 Ų | 145.5 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 158.9 | 119.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 273 | S | 32.8 | Very low | 34.4 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -88.6 | 141.1 | -171.9 | -40.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 274 | T | 29.2 | Very low | 34.5 | Very low | 133 Ų | 133 | 148.6 Ų | 148.6 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | 61 | -178.6 | 135.6 | 61.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 275 | P | 58.4 | Low | 34.4 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | -133.6 | -177 | -98.6 | 39.1 | -16.8 | 0 | 0 | 0 | 116.2 | |||||
| 276 | Y | 34 | Very low | 34.4 | Very low | 221 Ų | 221 | 144.3 Ų | 144.3 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | 71.2 | 125 | 151.6 | -108.8 | -86.1 | 0 | 0 | 0 | 123 | ||||
| 277 | T | 30 | Very low | 34.7 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 158.6 | 154.9 | 138.1 | 25.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 278 | Y | 32.3 | Very low | 35 | Very low | 208 Ų | 208 | 143.4 Ų | 143.4 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | cis | -176.7 | 162.8 | -14.3 | 169.7 | -98 | 0 | 0 | 0 | 107 | ||||
| 279 | Y | 37.3 | Very low | 36.1 | Very low | 208 Ų | 208 | 145.2 Ų | 145.2 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | -42.3 | 162.7 | -173.5 | -96.4 | -102.3 | 0 | 0 | 0 | 121.1 | ||||
| 280 | G | 32.2 | Very low | 36.2 | Very low | 79 Ų | 79 | 140.2 Ų | 140.2 | 81% | 0.814 | 77% | 0.771 | S | S | * | * | trans | 164.2 | 111.7 | 145.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 281 | D | 36.5 | Very low | 36 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -93.4 | 146.7 | 178.5 | -158.8 | -43.7 | 0 | 0 | 0 | 111 | ||||
| 282 | Y | 29.8 | Very low | 35.7 | Very low | 204 Ų | 204 | 137.7 Ų | 137.7 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | 168.3 | 107.2 | 140.8 | -113.7 | -94.6 | 0 | 0 | 0 | 115.8 | ||||
| 283 | Q | 36.3 | Very low | 35.8 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | 36.2 | 132.2 | 123.5 | -130.3 | 170.5 | -1.2 | 0 | 0 | 127 | |||||
| 284 | G | 33.3 | Very low | 35.9 | Very low | 67 Ų | 67 | 145.3 Ų | 145.3 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | 104.8 | 142 | 142 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 285 | D | 36.6 | Very low | 35.9 | Very low | 145 Ų | 145 | 148 Ų | 148 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | cis | -172.6 | 156.4 | -6.8 | -102.8 | -53.5 | 0 | 0 | 0 | 109.6 | ||||
| 286 | Y | 35.3 | Very low | 34.8 | Very low | 181 Ų | 181 | 152 Ų | 152 | 71% | 0.71 | 78% | 0.777 | S | S | * | * | trans | 73.8 | 134.4 | 152.9 | -89.7 | -136.2 | 0 | 0 | 0 | 121 | ||||
| 287 | Y | 38.7 | Very low | 34.9 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 73% | 0.725 | 76% | 0.762 | S | S | * | * | cis | -162.7 | 142.3 | 14.3 | -132.4 | -40.2 | 0 | 0 | 0 | 113.4 | ||||
| 288 | A | 35.4 | Very low | 35.1 | Very low | 82 Ų | 82 | 147.6 Ų | 147.6 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | 74.3 | 161.2 | 139.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 289 | P | 54.6 | Low | 35.1 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | -131.4 | 175.2 | -54.7 | 37.8 | -21.3 | 0 | 0 | 0 | 110.8 | |||||
| 290 | G | 35.4 | Very low | 35.4 | Very low | 67 Ų | 67 | 136.6 Ų | 136.6 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | cis | 141.8 | 125.8 | 10.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 291 | S | 30.6 | Very low | 35.9 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 127.2 | 132.8 | 157.1 | -68.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 292 | N | 31.6 | Very low | 35.9 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | cis | -167.3 | 130.5 | -16.4 | -118.3 | -11.8 | 0 | 0 | 0 | 108.7 | ||||
| 293 | Y | 31.8 | Very low | 36 | Very low | 209 Ų | 209 | 136.9 Ų | 136.9 | 82% | 0.82 | 76% | 0.764 | S | S | * | * | trans | 58.4 | 139.4 | 147.7 | -76.1 | -78.3 | 0 | 0 | 0 | 127.9 | ||||
| 294 | D | 35.5 | Very low | 35.7 | Very low | 133 Ų | 133 | 133 Ų | 133 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -51.7 | 158.8 | 178.9 | -66.6 | -93.7 | 0 | 0 | 0 | 120.5 | ||||
| 295 | F | 29.1 | Very low | 35.6 | Very low | 191 Ų | 191 | 139.3 Ų | 139.3 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | 160.8 | 137.8 | 97.7 | -162.1 | -102.3 | 0 | 0 | 0 | 112.1 | |||||
| 296 | F | 34.8 | Very low | 35.6 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -90.1 | 146.7 | -179.2 | -115.9 | -89.2 | 0 | 0 | 0 | 112.8 | ||||
| 297 | A | 35.8 | Very low | 36.1 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 56% | 0.562 | 78% | 0.776 | S | S | * | * | trans | 52.7 | 119.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 298 | H | 35.1 | Very low | 36 | Very low | 195 Ų | 195 | 130.6 Ų | 130.6 | 90% | 0.903 | 78% | 0.778 | S | S | * | * | -170.9 | 146 | 119 | -83.7 | -57.4 | 0 | 0 | 0 | 109.3 | |||||
| 299 | G | 32.3 | Very low | 35.7 | Very low | 65 Ų | 65 | 133.8 Ų | 133.8 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 172.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 300 | P | 41.8 | Very low | 34.6 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 139.9 | -178.1 | 34.1 | -29.6 | 0 | 0 | 0 | 112.1 | ||
| 301 | P | 44.3 | Very low | 34.4 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 147.5 | 140.8 | 33.9 | -23.7 | 0 | 0 | 0 | 109.1 | ||
| 302 | S | 36.5 | Very low | 34.5 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -137.1 | 107.8 | 173.9 | -62.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 303 | Q | 30.9 | Very low | 34.7 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -154.6 | 141.1 | 152.5 | -92.9 | -169.4 | 32.8 | 0 | 0 | 104.1 | ||||
| 304 | A | 29.8 | Very low | 34.9 | Very low | 81 Ų | 81 | 132.1 Ų | 132.1 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | cis | -164.5 | 169.9 | 15.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 305 | Q | 31.4 | Very low | 34.9 | Very low | 200 Ų | 200 | 130.1 Ų | 130.1 | 94% | 0.935 | 78% | 0.777 | S | S | * | * | -166 | 124.3 | 128.1 | -104.7 | 169.1 | 34.3 | 0 | 0 | 110.5 | |||||
| 306 | S | 37.2 | Very low | 35.4 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -82 | 172.3 | 172.3 | 38.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 307 | P | 45.6 | Very low | 35.3 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | -123.5 | 147.8 | 123.7 | 32.8 | -23.9 | 0 | 0 | 0 | 111.7 | |||||
| 308 | A | 35.5 | Very low | 35.5 | Very low | 91 Ų | 91 | 124.6 Ų | 124.6 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -77.6 | 144.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 309 | D | 30 | Very low | 35.8 | Very low | 149 Ų | 149 | 118.8 Ų | 118.8 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | -158.1 | 134.3 | 110.7 | -127.7 | -42.1 | 0 | 0 | 0 | 112.8 | |||||
| 310 | S | 31.6 | Very low | 36 | Very low | 89 Ų | 89 | 121.5 Ų | 121.5 | 62% | 0.622 | 79% | 0.792 | S | S | * | * | trans | 7.6 | 118.1 | 161.4 | 43.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 311 | S | 31.1 | Very low | 36 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | 74.5 | 104.1 | 73.4 | -62.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 312 | F | 32.1 | Very low | 36.6 | Very low | 183 Ų | 183 | 121.3 Ų | 121.3 | 80% | 0.803 | 79% | 0.788 | S | S | * | * | 173 | 123 | 113 | -115.8 | -124.9 | 0 | 0 | 0 | 115.1 | |||||
| 313 | L | 36.3 | Very low | 36.5 | Very low | 151 Ų | 151 | 124.2 Ų | 124.2 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | 74.6 | 140 | 138 | -66.1 | -174.4 | 0 | 0 | 0 | 125.8 | ||||
| 314 | A | 36.4 | Very low | 36.5 | Very low | 90 Ų | 90 | 118.4 Ų | 118.4 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | -102.3 | 158.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 315 | A | 35.6 | Very low | 36.7 | Very low | 91 Ų | 91 | 118.9 Ų | 118.9 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | 44.6 | 107.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 316 | S | 39.6 | Very low | 37 | Very low | 123 Ų | 123 | 117 Ų | 117 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | 48.1 | 101.9 | 128.6 | -43.4 | 0 | 0 | 0 | 0 | 120 | |||||
| 317 | G | 33.3 | Very low | 37 | Very low | 76 Ų | 76 | 120.9 Ų | 120.9 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | 67.8 | 115.5 | 129.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 318 | P | 40.1 | Very low | 37.3 | Very low | 132 Ų | 132 | 119.3 Ų | 119.3 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 140.3 | 167.4 | 34.7 | -27.7 | 0 | 0 | 0 | 112.2 | ||
| 319 | G | 39.8 | Very low | 38.2 | Very low | 74 Ų | 74 | 119.6 Ų | 119.6 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 160.3 | 147.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 320 | S | 37.8 | Very low | 38.4 | Very low | 122 Ų | 122 | 120.4 Ų | 120.4 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 156.1 | -173.7 | 42.4 | 0 | 0 | 0 | 0 | 116.9 | ||
| 321 | T | 41.8 | Very low | 38.5 | Very low | 133 Ų | 133 | 120.6 Ų | 120.6 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -62.2 | -172.2 | -175.9 | 51.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 322 | P | 56.8 | Low | 38.5 | Very low | 106 Ų | 106 | 118.9 Ų | 118.9 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | -136.5 | 171.5 | -57.3 | 38.9 | -22.4 | 0 | 0 | 0 | 113.6 | |||||
| 323 | L | 33.5 | Very low | 39.3 | Very low | 176 Ų | 176 | 116.1 Ų | 116.1 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | 174.1 | 143.9 | 131.8 | -96.7 | 162.3 | 0 | 0 | 0 | 112.3 | ||||
| 324 | G | 31.9 | Very low | 39.1 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | -71.9 | -164.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 325 | A | 33.8 | Very low | 38.9 | Very low | 90 Ų | 90 | 118.2 Ų | 118.2 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | cis | -166.6 | 175.5 | 5.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 326 | L | 37.8 | Very low | 38.8 | Very low | 162 Ų | 162 | 118.2 Ų | 118.2 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | 87.9 | 103.2 | 159.7 | -49.2 | 179.5 | 0 | 0 | 0 | 119.6 | ||||
| 327 | E | 36.7 | Very low | 38.3 | Very low | 187 Ų | 187 | 120.5 Ų | 120.5 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | 42.3 | 158.4 | 120.7 | -91.5 | -151.5 | 85 | 0 | 0 | 124 | |||||
| 328 | P | 51.2 | Low | 38.5 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | -114.1 | -147.7 | -141 | 42.5 | -23 | 0 | 0 | 0 | 110.4 | ||||
| 329 | P | 55.9 | Low | 38.8 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | cis | -144.4 | 179.9 | -4.6 | 30.5 | -4.7 | 0 | 0 | 0 | 117.8 | ||||
| 330 | L | 34.3 | Very low | 38.4 | Very low | 166 Ų | 166 | 130 Ų | 130 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | 86.5 | 137.3 | 138.1 | -85 | 159 | 0 | 0 | 0 | 124.1 | ||||
| 331 | A | 33.5 | Very low | 38.1 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 90.5 | 119.4 | 144.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 332 | G | 30.6 | Very low | 37.6 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -77.1 | -157.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 333 | P | 48.8 | Very low | 36.5 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | cis | -140.3 | -173.5 | 9.6 | 35.7 | -11.8 | 0 | 0 | 0 | 115.8 | ||||
| 334 | H | 32.8 | Very low | 36.5 | Very low | 187 Ų | 187 | 132.2 Ų | 132.2 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | -18.3 | 141.9 | 167.7 | -56.9 | -89.7 | 0 | 0 | 0 | 121.9 | ||||
| 335 | A | 31.1 | Very low | 36.5 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | 145.7 | 134.8 | 104.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 336 | A | 34.7 | Very low | 36.7 | Very low | 91 Ų | 91 | 136 Ų | 136 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | 42.2 | 126.4 | 148 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 337 | D | 29.1 | Very low | 36.7 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | -170.9 | 146.5 | 124.3 | -100 | -43.3 | 0 | 0 | 0 | 112.1 | |||||
| 338 | N | 36.6 | Very low | 37.2 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -133.6 | 135.7 | 171.2 | -165.8 | 39.9 | 0 | 0 | 0 | 104.7 | ||||
| 339 | P | 45.5 | Very low | 36.3 | Very low | 106 Ų | 106 | 136 Ų | 136 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | -163.1 | 168.7 | 87.9 | 39.4 | -17.2 | 0 | 0 | 0 | 118.8 | |||||
| 340 | R | 32.7 | Very low | 35.3 | Very low | 232 Ų | 232 | 137.4 Ų | 137.4 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | trans | 76.8 | 112.4 | 142 | -82.8 | 179.3 | 177.5 | 160.7 | 1.9 | 124.1 | ||||
| 341 | F | 32.1 | Very low | 36.3 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | 63.7 | 114.7 | 120.5 | -134.2 | -85.6 | 0 | 0 | 0 | 122.6 | |||||
| 342 | T | 31.5 | Very low | 36.6 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | 176.6 | 141 | 122.7 | 17.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 343 | D | 32.1 | Very low | 37.9 | Very low | 120 Ų | 120 | 139 Ų | 139 | 64% | 0.642 | 79% | 0.786 | S | S | * | * | trans | 37.6 | 123.2 | 148.7 | -75.1 | -86.3 | 0 | 0 | 0 | 124.4 | ||||
| 344 | M | 33 | Very low | 37.5 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | 68.7 | 120.7 | 84.8 | -71.6 | -160.7 | 74.5 | 0 | 0 | 116.1 | |||||
| 345 | I | 33.4 | Very low | 38.6 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | 159.5 | 141.6 | 126.8 | -77.8 | 152.8 | 0 | 0 | 0 | 112.8 | |||||
| 346 | S | 37.5 | Very low | 38.6 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -72.4 | -173.1 | -177.1 | -30.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 347 | H | 38.3 | Very low | 38.9 | Very low | 169 Ų | 169 | 141 Ų | 141 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | 140.3 | 161.8 | 148.9 | -68.5 | -49.5 | 0 | 0 | 0 | 112.9 | ||||
| 348 | P | 47.5 | Very low | 40.1 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | cis | -139.7 | -169 | -37.5 | 38.6 | -18.3 | 0 | 0 | 0 | 115.3 | ||||
| 349 | D | 31.8 | Very low | 39.8 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -104.2 | 174.3 | -165.4 | -105.6 | -56.2 | 0 | 0 | 0 | 118 | ||||
| 350 | T | 35.5 | Very low | 39.2 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | 84.9 | 154.5 | 148.7 | 33.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 351 | P | 54.8 | Low | 39.2 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | cis | -147 | -175.7 | 44.1 | 40.2 | -15.9 | 0 | 0 | 0 | 121.6 | ||||
| 352 | S | 39.6 | Very low | 39.5 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -86.5 | -176.6 | -170.6 | -149.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 353 | P | 57.4 | Low | 40.3 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | -153 | 176.2 | 67.9 | 38.8 | -15.4 | 0 | 0 | 0 | 119.3 | |||||
| 354 | E | 40 | Very low | 40.5 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -115.2 | 169.7 | 172.7 | -121 | -158.3 | 145 | 0 | 0 | 111.5 | ||||
| 355 | P | 56.3 | Low | 41.6 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | -157.8 | 156.4 | 94.3 | 38.5 | -17.8 | 0 | 0 | 0 | 119 | |||||
| 356 | G | 30.8 | Very low | 41.5 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | 137.1 | 98.9 | 142 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 357 | L | 40.7 | Very low | 41.3 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -93 | -178.2 | 169.3 | -91.8 | 168.7 | 0 | 0 | 0 | 111.5 | ||||
| 358 | P | 55.5 | Low | 41.2 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | cis | -149.4 | 170.3 | 22.7 | 39.2 | -16.4 | 0 | 0 | 0 | 120.7 | ||||
| 359 | G | 30 | Very low | 40.6 | Very low | 73 Ų | 73 | 133 Ų | 133 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 109.9 | 147 | 141.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 360 | A | 33 | Very low | 40.7 | Very low | 89 Ų | 89 | 130.8 Ų | 130.8 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | cis | -172.4 | 139.8 | -11.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 361 | L | 32.2 | Very low | 40.4 | Very low | 175 Ų | 175 | 128.5 Ų | 128.5 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | 63.4 | 125.6 | 141.3 | -55.4 | 169.6 | 0 | 0 | 0 | 123.5 | ||||
| 362 | H | 38.3 | Very low | 39.4 | Very low | 176 Ų | 176 | 125.9 Ų | 125.9 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | trans | -53.5 | 166.9 | 155 | -95.4 | -76.2 | 0 | 0 | 0 | 113.4 | ||||
| 363 | P | 49.1 | Very low | 39.9 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | -161.8 | 157.9 | 52.5 | 40.5 | -16.4 | 0 | 0 | 0 | 121.8 | |||||
| 364 | M | 35 | Very low | 39.1 | Very low | 172 Ų | 172 | 126.2 Ų | 126.2 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | 48.5 | -176.4 | 135.7 | -59.2 | -69.9 | -144.2 | 0 | 0 | 122.4 | ||||
| 365 | P | 57.3 | Low | 39.6 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | -134.1 | -173.6 | -102.7 | 39 | -15.4 | 0 | 0 | 0 | 116.5 | |||||
| 366 | G | 31.3 | Very low | 39.5 | Very low | 76 Ų | 76 | 123 Ų | 123 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 95 | 143 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 367 | E | 33.4 | Very low | 39.8 | Very low | 189 Ų | 189 | 128.6 Ų | 128.6 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | cis | -168.1 | 149.9 | 30.7 | -103.8 | -168.8 | 136.4 | 0 | 0 | 112.4 | ||||
| 368 | V | 36.7 | Very low | 40.3 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | 18 | 137.4 | 150 | -80 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 369 | F | 32.9 | Very low | 39.5 | Very low | 187 Ų | 187 | 128.8 Ų | 128.8 | 82% | 0.82 | 80% | 0.796 | S | S | * | * | 161 | 112.7 | 116.7 | -111.2 | -105 | 0 | 0 | 0 | 109.6 | |||||
| 370 | S | 34.2 | Very low | 39.6 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | 93.2 | 130.5 | 85.6 | -65.4 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 371 | G | 29.8 | Very low | 39.5 | Very low | 80 Ų | 80 | 130.2 Ų | 130.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 128 | 104.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 372 | G | 34.7 | Very low | 39.4 | Very low | 76 Ų | 76 | 128.2 Ų | 128.2 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -70.2 | -162.3 | 164 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 373 | P | 49.6 | Very low | 39.1 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | cis | -145.7 | 172.9 | 39.7 | 36.9 | -14.4 | 0 | 0 | 0 | 117 | ||||
| 374 | S | 39.9 | Very low | 38.1 | Very low | 106 Ų | 106 | 124 Ų | 124 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -86.3 | 167 | 159.7 | -40.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 375 | P | 50.9 | Low | 38 | Very low | 120 Ų | 120 | 127 Ų | 127 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | -160 | -148.9 | 74.9 | 40.7 | -16.3 | 0 | 0 | 0 | 112.9 | |||||
| 376 | P | 55.1 | Low | 37.1 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | cis | -124.9 | 175.7 | -47.4 | 24.3 | -2.4 | 0 | 0 | 0 | 114.4 | ||||
| 377 | F | 37.3 | Very low | 37.1 | Very low | 191 Ų | 191 | 126.3 Ų | 126.3 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -75.5 | 167.7 | 163.4 | -77.7 | -88.4 | 0 | 0 | 0 | 113.2 | ||||
| 378 | P | 50.4 | Low | 37.4 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | -139.8 | 170.8 | 120.7 | 36.8 | -22 | 0 | 0 | 0 | 115.8 | |||||
| 379 | M | 38.3 | Very low | 37.2 | Very low | 164 Ų | 164 | 126.3 Ų | 126.3 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -102 | 158.9 | -169.9 | -77.6 | -90.1 | 149.1 | 0 | 0 | 114.5 | ||||
| 380 | S | 33 | Very low | 37.3 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | 76.1 | 129 | 150.2 | -62.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 381 | G | 29.1 | Very low | 37.5 | Very low | 69 Ų | 69 | 126.5 Ų | 126.5 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | 162.6 | 82.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 382 | T | 30.1 | Very low | 38 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | trans | 31.6 | 136.3 | 141.6 | 58.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 383 | S | 32 | Very low | 38.1 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | 93.2 | 123.1 | 140.6 | -59.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 384 | G | 29.9 | Very low | 37.9 | Very low | 76 Ų | 76 | 129.1 Ų | 129.1 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 131.7 | 101.1 | 136.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 385 | Y | 32.7 | Very low | 38 | Very low | 237 Ų | 237 | 133.5 Ų | 133.5 | 93% | 0.929 | 80% | 0.802 | S | S | * | * | trans | 84.1 | 107.4 | 145.6 | -126.3 | -99.9 | 0 | 0 | 0 | 120.1 | ||||
| 386 | S | 37 | Very low | 37.9 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -85.7 | 135.8 | 171.3 | 20.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 387 | G | 32.7 | Very low | 37.7 | Very low | 67 Ų | 67 | 134.3 Ų | 134.3 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | -154.1 | 148.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 388 | P | 40.1 | Very low | 38.1 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | -82.8 | 143.5 | -129.3 | 30.2 | -35.1 | 0 | 0 | 0 | 115.7 | S390 | P388-S390 PolarHBondContact O-N 2.87Š| |
| 389 | L | 31.2 | Very low | 37.9 | Very low | 170 Ų | 170 | 125.2 Ų | 125.2 | 89% | 0.89 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 123.8 | 174.6 | -70.5 | 154.1 | 0 | 0 | 0 | 111.9 | ||
| 390 | S | 35.9 | Very low | 37.8 | Very low | 111 Ų | 111 | 120.4 Ų | 120.4 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 129.2 | 153.8 | 21.6 | 0 | 0 | 0 | 0 | 108.2 | P388 | P388-S390 PolarHBondContact O-N 2.87Š|
| 391 | H | 37.2 | Very low | 38.1 | Very low | 183 Ų | 183 | 116.4 Ų | 116.4 | 85% | 0.847 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 128.3 | 177.6 | -72 | -83.3 | 0 | 0 | 0 | 111.3 | N393 | H391-N393 PolarHBondContact O-N 2.99Š|
| 392 | P | 39.8 | Very low | 38.3 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 129.9 | 167 | 30.3 | -29.2 | 0 | 0 | 0 | 108.6 | ||
| 393 | N | 38 | Very low | 38.7 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 127.2 | 169.9 | -162.3 | 16.9 | 0 | 0 | 0 | 108.9 | H391 E395 | H391-N393 PolarHBondContact O-N 2.99Å; N393-E395 PolarHBondContact O-N 3.42Å |
| 394 | P | 46.1 | Very low | 39.1 | Very low | 82 Ų | 82 | 127.5 Ų | 127.5 | 53% | 0.532 | 71% | 0.711 | S | S | . | * | P | Polyproline II helix | trans | -70.4 | 122.6 | 177.3 | 27.1 | -30.3 | 0 | 0 | 0 | 109 | L396 | P394-L396 PolarHBondContact O-N 2.86Å; P394-L396 VanDerWaalsContact O-N 3.08Å |
| 395 | E | 41.4 | Very low | 39.6 | Very low | 197 Ų | 197 | 130.3 Ų | 130.3 | 92% | 0.921 | 71% | 0.707 | S | S | * | * | trans | -48.1 | 114.2 | 173.8 | -75.5 | 176 | 94 | 0 | 0 | 110.7 | N393 N397 | N393-E395 PolarHBondContact O-N 3.42Å; E395-N397 PolarHBondContact O-N 3.3Å | ||
| 396 | L | 48.3 | Very low | 40 | Very low | 136 Ų | 136 | 124.1 Ų | 124.1 | 71% | 0.712 | 69% | 0.693 | S | S | * | * | trans | -86.2 | 99 | 173.7 | -70.2 | 169 | 0 | 0 | 0 | 107.7 | F56 P394 E398 | F56-L396 HydrophobicContact CE1-CD2 4.4Å; P394-L396 PolarHBondContact O-N 2.86Å; P394-L396 VanDerWaalsContact O-N 3.08Å; L396-E398 PolarHBondContact O-N 3.13Å | ||
| 397 | N | 50.4 | Low | 40.2 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | trans | -88.2 | 92.3 | 173.2 | -159 | 10.3 | 0 | 0 | 0 | 109.8 | E395 A399 | E395-N397 PolarHBondContact O-N 3.3Å; N397-A399 PolarHBondContact O-N 3.42Å | ||
| 398 | E | 45.5 | Very low | 40.7 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 52% | 0.519 | 69% | 0.687 | S | S | . | * | trans | -80.8 | 102.5 | 172.4 | -171.5 | 175.6 | 138.1 | 0 | 0 | 108.7 | K42 L396 | K42-E398 IonicContact NZ-OE1 2.71Å; K42-E398 PolarHBondContact NZ-OE1 3.22Å; L396-E398 PolarHBondContact O-N 3.13Å | ||
| 399 | A | 48 | Very low | 40.7 | Very low | 20 Ų | 20 | 128.2 Ų | 128.2 | 17% | 0.165 | 67% | 0.674 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -92 | 117.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L21 N397 | L21-A399 HydrophobicContact CD2-CB 3.6Å; L21-A399 HydrophobicContact CG-CB 4.02Å; N397-A399 PolarHBondContact O-N 3.42Å |
| 400 | A | 35 | Very low | 41.5 | Very low | 63 Ų | 63 | 125 Ų | 125 | 52% | 0.521 | 66% | 0.657 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.8 | 129.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 401 | V | 39.3 | Very low | 41.9 | Very low | 40 Ų | 40 | 126.2 Ų | 126.2 | 24% | 0.242 | 65% | 0.648 | C | S | . | * | P | Polyproline II helix | trans | -86.7 | 125.4 | 175.2 | -176 | 0 | 0 | 0 | 0 | 107.8 | L18 V20 | L18-V401 HydrophobicContact CD2-CG1 4.36Å; V20-V401 HydrophobicContact CG2-CG2 4.02Å |
| 402 | W | 34.1 | Very low | 42.4 | Very low | 302 Ų | 302 | 121 Ų | 121 | 100% | 1.144 | 63% | 0.629 | S | S | * | * | trans | -119.9 | 0 | 164.3 | 37.9 | -81.6 | 0 | 0 | 0 | 109.3 |
Retrieved 402 of 402 residues in 870.6 ms
(Link to these results)