| 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 | 52.1 | Low | 81.1 | Confident | 241 Ų | 241 | 58.3 Ų | 58.3 | 100% | 1.187 | 30% | 0.3 | S | S | * | . | 0 | 139.2 | 0 | -56.6 | -178.7 | -169 | 0 | 0 | 105.9 | |||||
| 2 | E | 56.5 | Low | 81.3 | Confident | 129 Ų | 129 | 64.9 Ų | 64.9 | 60% | 0.603 | 33% | 0.325 | S | S | * | . | trans | -64.1 | 147.4 | 170.7 | -69 | 107.7 | -174.4 | 0 | 0 | 110.5 | Q4 | E2-Q4 VanDerWaalsContact C-N 3.32Å; E2-Q4 PolarHBondContact O-N 2.75Å | ||
| 3 | P | 69.7 | Low | 81.2 | Confident | 60 Ų | 60 | 72.2 Ų | 72.2 | 39% | 0.39 | 37% | 0.366 | S | S | . | . | trans | -78.8 | 77 | -176 | 32.9 | -35.4 | 0 | 0 | 0 | 111.4 | P23 | P3-P23 HydrophobicContact CG-CG 4.42Å; P3-P23 WeakPolarHBondContact O-CD 3.3Å; P3-P23 WeakPolarHBondContact O-CG 3.49Å | ||
| 4 | Q | 81.9 | Confident | 81.5 | Confident | 88 Ų | 88 | 76.4 Ų | 76.4 | 41% | 0.411 | 38% | 0.383 | S | S | . | . | trans | -67.9 | 140.1 | -179.6 | -55 | -176.3 | -8.2 | 0 | 0 | 111.9 | E2 L19 V20 N77 | E2-Q4 VanDerWaalsContact C-N 3.32Å; E2-Q4 PolarHBondContact O-N 2.75Å; Q4-L19 HydrophobicContact CB-CD1 4.08Å; Q4-V20 WeakPolarHBondContact CA-O 3.39Å; Q4-N77 VanDerWaalsContact O-CB 3.3Å; Q4-N77 WeakPolarHBondContact O-CB 3.38Å; Q4-N77 PolarHBondContact O-ND2 3.48Å | ||
| 5 | V | 87.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 133.5 | 177.3 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | L7 V20 P23 L68 A71 N72 N77 | V5-L7 HydrophobicContact CG1-CD2 4.1Å; V5-V20 PolarHBondContact N-O 2.94Å; V5-V20 PolarHBondContact O-N 3.39Å; V5-P23 HydrophobicContact CB-CB 4.46Å; V5-P23 HydrophobicContact CG2-CB 4.15Å; V5-P23 HydrophobicContact CG2-CG 3.96Å; V5-L68 HydrophobicContact CB-CD2 4.37Å; V5-L68 HydrophobicContact CG1-CD2 3.94Å; V5-L68 HydrophobicContact CG2-CD2 4.39Å; V5-A71 HydrophobicContact CG1-CB 4.42Å; V5-N72 WeakPolarHBondContact CG2-OD1 3.37Å; V5-N77 CarbonylContact C-O 3.58Å; V5-N77 WeakPolarHBondContact CA-O 3.42Å; V5-N77 HydrophobicContact CG2-CB 4.2Å |
| 6 | T | 89.3 | Confident | 82.4 | Confident | 39 Ų | 39 | 76.3 Ų | 76.3 | 24% | 0.239 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 115.5 | 177.6 | -57 | 0 | 0 | 0 | 0 | 110.8 | F18 N77 Q78 L79 | T6-F18 CarbonylContact C-O 3.6Å; T6-F18 WeakPolarHBondContact CA-O 3.34Å; T6-N77 PolarHBondContact N-O 3.26Å; T6-Q78 CarbonylContact O-C 3.6Å; T6-Q78 WeakPolarHBondContact O-CA 3.29Å; T6-L79 PolarHBondContact O-N 3Å |
| 7 | L | 90.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 108.7 | 174.2 | -53.3 | -175 | 0 | 0 | 0 | 109.4 | V5 V9 S17 F18 V20 V31 M34 L79 M81 | V5-L7 HydrophobicContact CG1-CD2 4.1Å; L7-V9 HydrophobicContact CB-CG2 4.14Å; L7-V9 PolarHBondContact O-N 3.33Å; L7-S17 CarbonylContact O-C 3.59Å; L7-S17 WeakPolarHBondContact O-CA 3.45Å; L7-F18 HydrophobicContact CB-CB 4.39Å; L7-F18 PolarHBondContact N-O 2.93Å; L7-F18 PolarHBondContact O-N 3.46Å; L7-V20 HydrophobicContact CD1-CG2 3.65Å; L7-V20 HydrophobicContact CG-CG2 3.88Å; L7-V31 HydrophobicContact CD1-CG1 3.94Å; L7-V31 HydrophobicContact CD1-CG2 4.29Å; L7-M34 HydrophobicContact CD1-CE 4.17Å; L7-L79 HydrophobicContact CD2-CB 3.8Å; L7-L79 HydrophobicContact CD2-CD2 3.97Å; L7-L79 HydrophobicContact CD2-CG 4.42Å; L7-M81 HydrophobicContact CB-SD 4.01Å; L7-M81 HydrophobicContact CD1-SD 4.12Å; L7-M81 HydrophobicContact CD2-SD 4.09Å; L7-M81 HydrophobicContact CG-SD 4.3Å |
| 8 | N | 90.8 | Very high | 83.2 | Confident | 24 Ų | 24 | 74 Ų | 74 | 13% | 0.128 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 96.3 | 176 | -69.7 | -38.4 | 0 | 0 | 0 | 108.8 | S17 Q78 L79 M81 | N8-S17 WeakPolarHBondContact OD1-CB 3.43Å; N8-S17 PolarHBondContact OD1-OG 2.78Å; N8-Q78 PolarHBondContact ND2-OE1 2.74Å; N8-L79 PolarHBondContact N-O 2.87Å; N8-M81 PolarHBondContact O-N 3.42Å |
| 9 | V | 92.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 121 | -170.1 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | L7 T15 Q16 F18 V35 F39 M81 V83 | L7-V9 HydrophobicContact CB-CG2 4.14Å; L7-V9 PolarHBondContact O-N 3.33Å; V9-T15 WeakPolarHBondContact O-CA 3.13Å; V9-Q16 PolarHBondContact N-O 3.48Å; V9-Q16 PolarHBondContact O-N 3.04Å; V9-F18 HydrophobicContact CB-CD2 4.26Å; V9-F18 HydrophobicContact CB-CE2 3.95Å; V9-F18 HydrophobicContact CG2-CD2 3.74Å; V9-F18 HydrophobicContact CG2-CE2 3.89Å; V9-V35 HydrophobicContact CG1-CG1 4.08Å; V9-V35 HydrophobicContact CG1-CG2 4.08Å; V9-V35 HydrophobicContact CG2-CG2 4.24Å; V9-F39 HydrophobicContact CB-CE2 4.33Å; V9-F39 HydrophobicContact CG1-CE2 3.76Å; V9-F39 HydrophobicContact CG1-CZ 4.33Å; V9-M81 CarbonylContact C-O 3.58Å; V9-M81 WeakPolarHBondContact CA-O 3.46Å; V9-M81 HydrophobicContact CG2-CB 4.21Å; V9-M81 HydrophobicContact CG2-SD 4.02Å; V9-V83 HydrophobicContact CG1-CG2 3.23Å |
| 10 | T | 90.6 | Very high | 83.6 | Confident | 44 Ų | 44 | 72.2 Ų | 72.2 | 27% | 0.27 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 128.1 | -177.4 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | E14 T15 M81 Q82 V83 | T10-E14 CarbonylContact C-O 3.56Å; T10-E14 VanDerWaalsContact CA-O 3.31Å; T10-E14 WeakPolarHBondContact CA-O 3.32Å; T10-T15 WeakPolarHBondContact CG2-OG1 3.24Å; T10-T15 WeakPolarHBondContact OG1-CG2 3.2Å; T10-T15 PolarHBondContact OG1-OG1 3.41Å; T10-M81 PolarHBondContact N-O 3.15Å; T10-Q82 WeakPolarHBondContact O-CA 3.32Å; T10-V83 PolarHBondContact O-N 2.98Å |
| 11 | F | 90.6 | Very high | 83.3 | Confident | 16 Ų | 16 | 71.3 Ų | 71.3 | 7% | 0.07 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 127 | 175.3 | -179.5 | -118.6 | 0 | 0 | 0 | 110.2 | N13 E14 F39 L41 V83 E85 | F11-N13 PolarHBondContact O-N 3.07Å; F11-E14 PolarHBondContact N-O 3.13Å; F11-E14 PolarHBondContact O-N 3.2Å; F11-F39 HydrophobicContact CB-CD1 3.74Å; F11-F39 HydrophobicContact CB-CE1 3.69Å; F11-F39 HydrophobicContact CB-CG 4.18Å; F11-F39 HydrophobicContact CB-CZ 4.09Å; F11-F39 HydrophobicContact CD1-CB 4.18Å; F11-F39 AromaticContact CD1-CD1 3.83Å; F11-F39 HydrophobicContact CD1-CD1 3.83Å; F11-F39 HydrophobicContact CD1-CG 4.21Å; F11-F39 HydrophobicContact CG-CD1 4.18Å; F11-F39 HydrophobicContact CG-CG 4.44Å; F11-L41 HydrophobicContact CD1-CD1 4.16Å; F11-L41 HydrophobicContact CD2-CD1 4.01Å; F11-L41 HydrophobicContact CE1-CD1 3.79Å; F11-L41 HydrophobicContact CE1-CD2 3.77Å; F11-L41 HydrophobicContact CE1-CG 4.26Å; F11-L41 HydrophobicContact CE2-CD1 3.63Å; F11-L41 HydrophobicContact CE2-CD2 4.46Å; F11-L41 HydrophobicContact CG-CD1 4.25Å; F11-L41 HydrophobicContact CZ-CD1 3.48Å; F11-L41 VanDerWaalsContact CZ-CD1 3.48Å; F11-L41 HydrophobicContact CZ-CD2 3.56Å; F11-L41 HydrophobicContact CZ-CG 4.14Å; F11-V83 HydrophobicContact CB-CB 4.09Å; F11-V83 HydrophobicContact CB-CG2 4.47Å; F11-V83 HydrophobicContact CD2-CB 3.88Å; F11-V83 HydrophobicContact CD2-CG1 4.13Å; F11-V83 WeakPolarHBondContact CD2-O 3.27Å; F11-V83 HydrophobicContact CG-CB 4.37Å; F11-E85 HydrophobicContact CE2-CB 4.06Å; F11-E85 HydrophobicContact CZ-CB 4.18Å |
| 12 | K | 82.6 | Confident | 84.6 | Confident | 138 Ų | 138 | 63.5 Ų | 63.5 | 60% | 0.6 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 37.3 | 176.6 | -63.7 | 177.9 | -178.6 | 163.9 | 0 | 114.9 | E14 E85 | K12-E14 VanDerWaalsContact C-N 3.32Å; K12-E85 WeakPolarHBondContact CE-OE2 3.48Å; K12-E85 IonicContact NZ-OE2 3.55Å; K12-E85 PolarHBondContact NZ-OE2 3.26Å |
| 13 | N | 80.8 | Confident | 85.6 | Confident | 160 Ų | 160 | 57.8 Ų | 57.8 | 86% | 0.856 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 1.4 | -175.2 | -52 | -18.1 | 0 | 0 | 0 | 116.5 | F11 | F11-N13 PolarHBondContact O-N 3.07Š|
| 14 | E | 85.3 | Confident | 85.8 | Confident | 130 Ų | 130 | 63.1 Ų | 63.1 | 61% | 0.607 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 133.8 | 166.6 | -62.1 | -177.8 | 176.3 | 0 | 0 | 109.4 | T10 F11 K12 | T10-E14 CarbonylContact C-O 3.56Å; T10-E14 VanDerWaalsContact CA-O 3.31Å; T10-E14 WeakPolarHBondContact CA-O 3.32Å; F11-E14 PolarHBondContact N-O 3.13Å; F11-E14 PolarHBondContact O-N 3.2Å; K12-E14 VanDerWaalsContact C-N 3.32Å |
| 15 | T | 89.5 | Confident | 85.7 | Confident | 82 Ų | 82 | 65.1 Ų | 65.1 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131.2 | 178 | -56.9 | 0 | 0 | 0 | 0 | 110.1 | V9 T10 | V9-T15 WeakPolarHBondContact O-CA 3.13Å; T10-T15 WeakPolarHBondContact CG2-OG1 3.24Å; T10-T15 WeakPolarHBondContact OG1-CG2 3.2Å; T10-T15 PolarHBondContact OG1-OG1 3.41Å |
| 16 | Q | 88 | Confident | 85.6 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.1 | 175.1 | -61.4 | -174.7 | 25 | 0 | 0 | 109.5 | V9 F18 S38 F39 | V9-Q16 PolarHBondContact N-O 3.48Å; V9-Q16 PolarHBondContact O-N 3.04Å; Q16-F18 HydrophobicContact CB-CE2 3.67Å; Q16-F18 HydrophobicContact CB-CZ 3.73Å; Q16-S38 PolarHBondContact NE2-O 2.74Å; Q16-F39 HydrophobicContact CB-CZ 3.99Å; Q16-F39 HydrophobicContact CG-CE1 3.99Å; Q16-F39 HydrophobicContact CG-CZ 3.75Å |
| 17 | S | 89.7 | Confident | 85.5 | Confident | 81 Ų | 81 | 67.7 Ų | 67.7 | 57% | 0.566 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.4 | -179.8 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | L7 N8 | L7-S17 CarbonylContact O-C 3.59Å; L7-S17 WeakPolarHBondContact O-CA 3.45Å; N8-S17 WeakPolarHBondContact OD1-CB 3.43Å; N8-S17 PolarHBondContact OD1-OG 2.78Å |
| 18 | F | 88.8 | Confident | 85.5 | Confident | 31 Ų | 31 | 68.8 Ų | 68.8 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.7 | 179.8 | -55.7 | -88.2 | 0 | 0 | 0 | 110.6 | T6 L7 V9 Q16 M34 S38 | T6-F18 CarbonylContact C-O 3.6Å; T6-F18 WeakPolarHBondContact CA-O 3.34Å; L7-F18 HydrophobicContact CB-CB 4.39Å; L7-F18 PolarHBondContact N-O 2.93Å; L7-F18 PolarHBondContact O-N 3.46Å; V9-F18 HydrophobicContact CB-CD2 4.26Å; V9-F18 HydrophobicContact CB-CE2 3.95Å; V9-F18 HydrophobicContact CG2-CD2 3.74Å; V9-F18 HydrophobicContact CG2-CE2 3.89Å; Q16-F18 HydrophobicContact CB-CE2 3.67Å; Q16-F18 HydrophobicContact CB-CZ 3.73Å; F18-M34 HydrophobicContact CB-CE 3.62Å; F18-M34 HydrophobicContact CB-SD 3.81Å; F18-M34 HydrophobicContact CD1-CE 3.9Å; F18-M34 HydrophobicContact CD1-CG 4.04Å; F18-M34 HydrophobicContact CD1-SD 3.58Å; F18-M34 VanDerWaalsContact CD1-SD 3.58Å; F18-M34 HydrophobicContact CD2-CE 3.84Å; F18-M34 HydrophobicContact CE1-CG 4.23Å; F18-M34 HydrophobicContact CE1-SD 4.34Å; F18-M34 HydrophobicContact CG-CE 3.49Å; F18-M34 VanDerWaalsContact CG-CE 3.49Å; F18-M34 HydrophobicContact CG-SD 3.74Å; F18-S38 VanDerWaalsContact CE1-OG 3.26Å; F18-S38 WeakPolarHBondContact CE1-OG 3.26Å; F18-S38 VanDerWaalsContact CZ-CB 3.47Å; F18-S38 WeakPolarHBondContact CZ-OG 3.48Å |
| 19 | L | 87.4 | Confident | 85.4 | Confident | 101 Ų | 101 | 70.5 Ų | 70.5 | 53% | 0.529 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 112.2 | 176.5 | -172.8 | 67.1 | 0 | 0 | 0 | 110.1 | Q4 | Q4-L19 HydrophobicContact CB-CD1 4.08Å |
| 20 | V | 87.5 | Confident | 85.3 | Confident | 11 Ų | 11 | 74.7 Ų | 74.7 | 7% | 0.067 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 113.4 | 173 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | Q4 V5 L7 P23 T26 | Q4-V20 WeakPolarHBondContact CA-O 3.39Å; V5-V20 PolarHBondContact N-O 2.94Å; V5-V20 PolarHBondContact O-N 3.39Å; L7-V20 HydrophobicContact CD1-CG2 3.65Å; L7-V20 HydrophobicContact CG-CG2 3.88Å; V20-P23 HydrophobicContact CG1-CB 4.13Å; V20-T26 HydrophobicContact CG1-CG2 4.19Å; V20-T26 WeakPolarHBondContact CG1-OG1 3.46Å |
| 21 | S | 77.2 | Confident | 85.2 | Confident | 53 Ų | 53 | 72.7 Ų | 72.7 | 37% | 0.371 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -78.7 | -37.1 | -176.6 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | P23 | S21-P23 WeakPolarHBondContact O-CD 3.31Š|
| 22 | D | 80.3 | Confident | 85.2 | Confident | 78 Ų | 78 | 74.5 Ų | 74.5 | 42% | 0.417 | 40% | 0.401 | S | S | . | . | trans | -121.3 | 76.6 | 179.3 | -68.7 | -62.2 | 0 | 0 | 0 | 110.6 | E24 N25 T26 | D22-E24 PolarHBondContact O-N 3.14Å; D22-N25 HydrophobicContact CB-CB 4.14Å; D22-N25 PolarHBondContact O-N 2.96Å; D22-N25 VanDerWaalsContact O-N 3.16Å; D22-T26 WeakPolarHBondContact O-CB 3.19Å; D22-T26 PolarHBondContact O-N 3.49Å; D22-T26 PolarHBondContact O-OG1 3.29Å | ||
| 23 | P | 76.2 | Confident | 85.5 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 5% | 0.052 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -21.4 | -177.3 | 28.9 | -37.7 | 0 | 0 | 0 | 113.5 | P3 V5 V20 S21 L68 | P3-P23 HydrophobicContact CG-CG 4.42Å; P3-P23 WeakPolarHBondContact O-CD 3.3Å; P3-P23 WeakPolarHBondContact O-CG 3.49Å; V5-P23 HydrophobicContact CB-CB 4.46Å; V5-P23 HydrophobicContact CG2-CB 4.15Å; V5-P23 HydrophobicContact CG2-CG 3.96Å; V20-P23 HydrophobicContact CG1-CB 4.13Å; S21-P23 WeakPolarHBondContact O-CD 3.31Å; P23-L68 HydrophobicContact CB-CD1 3.9Å; P23-L68 HydrophobicContact CB-CD2 3.89Å; P23-L68 WeakPolarHBondContact O-CD1 3.08Å |
| 24 | E | 74.4 | Confident | 85.9 | Confident | 172 Ų | 172 | 65.2 Ų | 65.2 | 80% | 0.804 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -22 | 176.9 | -59.2 | -172.7 | 165.4 | 0 | 0 | 113.1 | D22 | D22-E24 PolarHBondContact O-N 3.14Š|
| 25 | N | 78.8 | Confident | 86.2 | Confident | 130 Ų | 130 | 59 Ų | 59 | 70% | 0.695 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -17.1 | 177.6 | -69.1 | -57.5 | 0 | 0 | 0 | 113.3 | D22 T27 | D22-N25 HydrophobicContact CB-CB 4.14Å; D22-N25 PolarHBondContact O-N 2.96Å; D22-N25 VanDerWaalsContact O-N 3.16Å; N25-T27 PolarHBondContact O-N 3.21Å |
| 26 | T | 87.1 | Confident | 86.2 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | trans | -77 | 119.3 | 178.6 | -56.6 | 0 | 0 | 0 | 0 | 109.2 | V20 D22 D30 V31 | V20-T26 HydrophobicContact CG1-CG2 4.19Å; V20-T26 WeakPolarHBondContact CG1-OG1 3.46Å; D22-T26 WeakPolarHBondContact O-CB 3.19Å; D22-T26 PolarHBondContact O-N 3.49Å; D22-T26 PolarHBondContact O-OG1 3.29Å; T26-D30 HydrophobicContact CG2-CB 4.17Å; T26-V31 HydrophobicContact CG2-CG2 3.82Å | ||
| 27 | T | 87.4 | Confident | 86.2 | Confident | 58 Ų | 58 | 59.9 Ų | 59.9 | 36% | 0.356 | 34% | 0.339 | S | S | . | . | trans | -83.1 | 158.2 | -178.8 | 77.9 | 0 | 0 | 0 | 0 | 111.6 | N25 A29 D30 V31 | N25-T27 PolarHBondContact O-N 3.21Å; T27-A29 PolarHBondContact O-N 3.27Å; T27-A29 PolarHBondContact OG1-N 3.47Å; T27-D30 VanDerWaalsContact CB-OD2 3.28Å; T27-D30 WeakPolarHBondContact CB-OD2 3.39Å; T27-D30 PolarHBondContact N-OD2 3.24Å; T27-D30 WeakPolarHBondContact O-CB 3.48Å; T27-D30 PolarHBondContact O-N 2.54Å; T27-D30 VanDerWaalsContact OG1-CG 3.3Å; T27-D30 PolarHBondContact OG1-N 3.38Å; T27-D30 PolarHBondContact OG1-OD2 3.06Å; T27-V31 PolarHBondContact O-N 3.32Å | ||
| 28 | W | 90.3 | Very high | 86.1 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -52.1 | -37.7 | 171.2 | 172.6 | -115.1 | 0 | 0 | 0 | 112.9 | D30 V31 E32 I46 I58 Q61 Y64 M81 | W28-D30 VanDerWaalsContact C-N 3.32Å; W28-D30 PolarHBondContact O-N 3.12Å; W28-V31 HydrophobicContact CE3-CB 4.33Å; W28-V31 HydrophobicContact CZ3-CB 4.44Å; W28-V31 HydrophobicContact CZ3-CG1 4.15Å; W28-V31 PolarHBondContact O-N 3.15Å; W28-E32 HydrophobicContact CZ2-CB 4.42Å; W28-E32 WeakPolarHBondContact O-CB 3.37Å; W28-E32 PolarHBondContact O-N 2.92Å; W28-I46 HydrophobicContact CH2-CB 3.94Å; W28-I46 HydrophobicContact CH2-CD1 3.53Å; W28-I46 HydrophobicContact CH2-CG1 4.27Å; W28-I46 HydrophobicContact CH2-CG2 4.35Å; W28-I46 HydrophobicContact CZ2-CD1 4.2Å; W28-I46 HydrophobicContact CZ3-CD1 4.3Å; W28-I58 HydrophobicContact CD2-CG2 3.79Å; W28-I58 HydrophobicContact CE3-CB 4.46Å; W28-I58 HydrophobicContact CE3-CG2 3.6Å; W28-I58 HydrophobicContact CH2-CB 3.61Å; W28-I58 HydrophobicContact CH2-CD1 4.35Å; W28-I58 HydrophobicContact CH2-CG2 3.63Å; W28-I58 HydrophobicContact CZ2-CB 3.98Å; W28-I58 HydrophobicContact CZ2-CG2 3.82Å; W28-I58 WeakPolarHBondContact CZ2-O 3.33Å; W28-I58 HydrophobicContact CZ3-CB 3.89Å; W28-I58 HydrophobicContact CZ3-CD1 3.97Å; W28-I58 HydrophobicContact CZ3-CG2 3.53Å; W28-Q61 HydrophobicContact CB-CB 4.47Å; W28-Y64 AromaticContact CE3-CD2 3.88Å; W28-Y64 HydrophobicContact CE3-CD2 3.88Å; W28-Y64 AromaticContact CE3-CG 3.89Å; W28-Y64 HydrophobicContact CE3-CG 3.89Å; W28-Y64 HydrophobicContact CZ3-CD2 4.21Å; W28-M81 HydrophobicContact CZ3-CE 4.31Å |
| 29 | A | 88.9 | Confident | 86 | Confident | 60 Ų | 60 | 57.4 Ų | 57.4 | 50% | 0.496 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67 | -32.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T27 A33 | T27-A29 PolarHBondContact O-N 3.27Å; T27-A29 PolarHBondContact OG1-N 3.47Å; A29-A33 WeakPolarHBondContact O-CB 3.47Å; A29-A33 PolarHBondContact O-N 2.75Å |
| 30 | D | 89.7 | Confident | 85.9 | Confident | 88 Ų | 88 | 59.8 Ų | 59.8 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71.3 | -40.3 | 175.7 | -55.3 | -58.8 | 0 | 0 | 0 | 110.9 | T26 T27 W28 A33 M34 | T26-D30 HydrophobicContact CG2-CB 4.17Å; T27-D30 VanDerWaalsContact CB-OD2 3.28Å; T27-D30 WeakPolarHBondContact CB-OD2 3.39Å; T27-D30 PolarHBondContact N-OD2 3.24Å; T27-D30 WeakPolarHBondContact O-CB 3.48Å; T27-D30 PolarHBondContact O-N 2.54Å; T27-D30 VanDerWaalsContact OG1-CG 3.3Å; T27-D30 PolarHBondContact OG1-N 3.38Å; T27-D30 PolarHBondContact OG1-OD2 3.06Å; W28-D30 VanDerWaalsContact C-N 3.32Å; W28-D30 PolarHBondContact O-N 3.12Å; D30-A33 PolarHBondContact O-N 3.22Å; D30-M34 VanDerWaalsContact O-CB 3.28Å; D30-M34 WeakPolarHBondContact O-CB 3.38Å; D30-M34 PolarHBondContact O-N 2.84Å |
| 31 | V | 89.3 | Confident | 85.8 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 174.3 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | L7 T26 T27 W28 A33 M34 V35 Y64 M81 | L7-V31 HydrophobicContact CD1-CG1 3.94Å; L7-V31 HydrophobicContact CD1-CG2 4.29Å; T26-V31 HydrophobicContact CG2-CG2 3.82Å; T27-V31 PolarHBondContact O-N 3.32Å; W28-V31 HydrophobicContact CE3-CB 4.33Å; W28-V31 HydrophobicContact CZ3-CB 4.44Å; W28-V31 HydrophobicContact CZ3-CG1 4.15Å; W28-V31 PolarHBondContact O-N 3.15Å; V31-A33 VanDerWaalsContact C-N 3.34Å; V31-A33 PolarHBondContact O-N 3.47Å; V31-M34 HydrophobicContact CG1-CE 4.42Å; V31-M34 PolarHBondContact O-N 2.8Å; V31-V35 HydrophobicContact CG1-CG2 4.48Å; V31-V35 WeakPolarHBondContact O-CG2 3.4Å; V31-V35 PolarHBondContact O-N 3.3Å; V31-Y64 HydrophobicContact CG1-CE2 4.46Å; V31-Y64 HydrophobicContact CG2-CE1 4.19Å; V31-Y64 HydrophobicContact CG2-CE2 3.93Å; V31-M81 HydrophobicContact CG1-CE 4.42Å |
| 32 | E | 89.9 | Confident | 85.7 | Confident | 54 Ų | 54 | 64.4 Ų | 64.4 | 25% | 0.252 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.8 | -164.1 | -166 | 155.6 | 0 | 0 | 110.7 | W28 V35 K36 I44 | W28-E32 HydrophobicContact CZ2-CB 4.42Å; W28-E32 WeakPolarHBondContact O-CB 3.37Å; W28-E32 PolarHBondContact O-N 2.92Å; E32-V35 PolarHBondContact O-N 2.89Å; E32-K36 WeakPolarHBondContact O-CB 3.44Å; E32-K36 VanDerWaalsContact O-CG 3.25Å; E32-K36 WeakPolarHBondContact O-CG 3.39Å; E32-K36 PolarHBondContact O-N 2.91Å; E32-K36 WeakPolarHBondContact OE1-CE 3.26Å; E32-K36 IonicContact OE1-NZ 2.69Å; E32-K36 PolarHBondContact OE1-NZ 2.88Å; E32-I44 HydrophobicContact CG-CD1 4.04Å; E32-I44 HydrophobicContact CG-CG1 4.17Å |
| 33 | A | 88.3 | Confident | 85.9 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 41% | 0.413 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | A29 D30 V31 K36 V37 | A29-A33 WeakPolarHBondContact O-CB 3.47Å; A29-A33 PolarHBondContact O-N 2.75Å; D30-A33 PolarHBondContact O-N 3.22Å; V31-A33 VanDerWaalsContact C-N 3.34Å; V31-A33 PolarHBondContact O-N 3.47Å; A33-K36 PolarHBondContact O-N 2.84Å; A33-V37 WeakPolarHBondContact O-CG2 3.2Å; A33-V37 PolarHBondContact O-N 2.81Å |
| 34 | M | 90.8 | Very high | 86.5 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 26% | 0.261 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 175.8 | -179.7 | -172.1 | 72.5 | 0 | 0 | 111.3 | L7 F18 D30 V31 V37 S38 | L7-M34 HydrophobicContact CD1-CE 4.17Å; F18-M34 HydrophobicContact CB-CE 3.62Å; F18-M34 HydrophobicContact CB-SD 3.81Å; F18-M34 HydrophobicContact CD1-CE 3.9Å; F18-M34 HydrophobicContact CD1-CG 4.04Å; F18-M34 HydrophobicContact CD1-SD 3.58Å; F18-M34 VanDerWaalsContact CD1-SD 3.58Å; F18-M34 HydrophobicContact CD2-CE 3.84Å; F18-M34 HydrophobicContact CE1-CG 4.23Å; F18-M34 HydrophobicContact CE1-SD 4.34Å; F18-M34 HydrophobicContact CG-CE 3.49Å; F18-M34 VanDerWaalsContact CG-CE 3.49Å; F18-M34 HydrophobicContact CG-SD 3.74Å; D30-M34 VanDerWaalsContact O-CB 3.28Å; D30-M34 WeakPolarHBondContact O-CB 3.38Å; D30-M34 PolarHBondContact O-N 2.84Å; V31-M34 HydrophobicContact CG1-CE 4.42Å; V31-M34 PolarHBondContact O-N 2.8Å; M34-V37 PolarHBondContact O-N 3.11Å; M34-S38 WeakPolarHBondContact O-CB 3.25Å; M34-S38 PolarHBondContact O-N 3.12Å; M34-S38 PolarHBondContact O-OG 3.32Å |
| 35 | V | 90.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.5 | -39 | 179.1 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | V9 V31 E32 S38 F39 I44 I46 V83 | V9-V35 HydrophobicContact CG1-CG1 4.08Å; V9-V35 HydrophobicContact CG1-CG2 4.08Å; V9-V35 HydrophobicContact CG2-CG2 4.24Å; V31-V35 HydrophobicContact CG1-CG2 4.48Å; V31-V35 WeakPolarHBondContact O-CG2 3.4Å; V31-V35 PolarHBondContact O-N 3.3Å; E32-V35 PolarHBondContact O-N 2.89Å; V35-S38 PolarHBondContact O-N 3.5Å; V35-F39 HydrophobicContact CG1-CD2 4.07Å; V35-F39 HydrophobicContact CG1-CE2 4.4Å; V35-F39 WeakPolarHBondContact O-CD2 3.08Å; V35-F39 PolarHBondContact O-N 3.08Å; V35-I44 HydrophobicContact CB-CD1 3.95Å; V35-I44 HydrophobicContact CG1-CD1 3.65Å; V35-I46 HydrophobicContact CB-CD1 4.1Å; V35-I46 HydrophobicContact CG1-CD1 4.09Å; V35-I46 HydrophobicContact CG1-CG1 4.4Å; V35-I46 HydrophobicContact CG2-CD1 4.17Å; V35-V83 HydrophobicContact CG1-CG1 4.04Å; V35-V83 HydrophobicContact CG1-CG2 3.61Å |
| 36 | K | 89.4 | Confident | 87.9 | Confident | 58 Ų | 58 | 54.6 Ų | 54.6 | 25% | 0.252 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 173.1 | -78 | -178.3 | -176.3 | 169.7 | 0 | 112.4 | E32 A33 D40 L41 N42 I44 | E32-K36 WeakPolarHBondContact O-CB 3.44Å; E32-K36 VanDerWaalsContact O-CG 3.25Å; E32-K36 WeakPolarHBondContact O-CG 3.39Å; E32-K36 PolarHBondContact O-N 2.91Å; E32-K36 WeakPolarHBondContact OE1-CE 3.26Å; E32-K36 IonicContact OE1-NZ 2.69Å; E32-K36 PolarHBondContact OE1-NZ 2.88Å; A33-K36 PolarHBondContact O-N 2.84Å; K36-D40 CarbonylContact O-C 3.59Å; K36-D40 WeakPolarHBondContact O-CA 3.35Å; K36-D40 PolarHBondContact O-N 3.06Å; K36-D40 VanDerWaalsContact O-N 3.14Å; K36-L41 WeakPolarHBondContact CA-O 3.49Å; K36-L41 WeakPolarHBondContact CB-O 3.36Å; K36-L41 WeakPolarHBondContact CG-O 3.21Å; K36-L41 PolarHBondContact O-N 3.5Å; K36-N42 WeakPolarHBondContact CE-O 3.49Å; K36-I44 HydrophobicContact CG-CD1 3.7Å; K36-I44 HydrophobicContact CG-CG1 4Å; K36-I44 HydrophobicContact CG-CG2 4.33Å |
| 37 | V | 88.7 | Confident | 88.1 | Confident | 111 Ų | 111 | 55 Ų | 55 | 67% | 0.673 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68.8 | -36.9 | 179.5 | 171.6 | 0 | 0 | 0 | 0 | 112 | A33 M34 F39 | A33-V37 WeakPolarHBondContact O-CG2 3.2Å; A33-V37 PolarHBondContact O-N 2.81Å; M34-V37 PolarHBondContact O-N 3.11Å; V37-F39 VanDerWaalsContact C-N 3.32Å; V37-F39 PolarHBondContact O-N 2.68Å |
| 38 | S | 87.5 | Confident | 88.3 | Confident | 38 Ų | 38 | 52.8 Ų | 52.8 | 27% | 0.266 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -79.1 | -12.8 | -173.1 | -52.2 | 0 | 0 | 0 | 0 | 114.8 | Q16 F18 M34 V35 | Q16-S38 PolarHBondContact NE2-O 2.74Å; F18-S38 VanDerWaalsContact CE1-OG 3.26Å; F18-S38 WeakPolarHBondContact CE1-OG 3.26Å; F18-S38 VanDerWaalsContact CZ-CB 3.47Å; F18-S38 WeakPolarHBondContact CZ-OG 3.48Å; M34-S38 WeakPolarHBondContact O-CB 3.25Å; M34-S38 PolarHBondContact O-N 3.12Å; M34-S38 PolarHBondContact O-OG 3.32Å; V35-S38 PolarHBondContact O-N 3.5Å |
| 39 | F | 86.8 | Confident | 88.1 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 10% | 0.096 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 9.9 | 175.4 | -65.3 | -80.6 | 0 | 0 | 0 | 113.1 | V9 F11 Q16 V35 V37 L41 | V9-F39 HydrophobicContact CB-CE2 4.33Å; V9-F39 HydrophobicContact CG1-CE2 3.76Å; V9-F39 HydrophobicContact CG1-CZ 4.33Å; F11-F39 HydrophobicContact CB-CD1 3.74Å; F11-F39 HydrophobicContact CB-CE1 3.69Å; F11-F39 HydrophobicContact CB-CG 4.18Å; F11-F39 HydrophobicContact CB-CZ 4.09Å; F11-F39 HydrophobicContact CD1-CB 4.18Å; F11-F39 AromaticContact CD1-CD1 3.83Å; F11-F39 HydrophobicContact CD1-CD1 3.83Å; F11-F39 HydrophobicContact CD1-CG 4.21Å; F11-F39 HydrophobicContact CG-CD1 4.18Å; F11-F39 HydrophobicContact CG-CG 4.44Å; Q16-F39 HydrophobicContact CB-CZ 3.99Å; Q16-F39 HydrophobicContact CG-CE1 3.99Å; Q16-F39 HydrophobicContact CG-CZ 3.75Å; V35-F39 HydrophobicContact CG1-CD2 4.07Å; V35-F39 HydrophobicContact CG1-CE2 4.4Å; V35-F39 WeakPolarHBondContact O-CD2 3.08Å; V35-F39 PolarHBondContact O-N 3.08Å; V37-F39 VanDerWaalsContact C-N 3.32Å; V37-F39 PolarHBondContact O-N 2.68Å; F39-L41 VanDerWaalsContact C-N 3.34Å; F39-L41 HydrophobicContact CB-CD1 3.78Å; F39-L41 HydrophobicContact CB-CG 3.79Å; F39-L41 WeakPolarHBondContact O-CD2 3.19Å; F39-L41 WeakPolarHBondContact O-CG 3.46Å; F39-L41 PolarHBondContact O-N 2.76Å |
| 40 | D | 84.8 | Confident | 87.9 | Confident | 151 Ų | 151 | 53.1 Ų | 53.1 | 81% | 0.807 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 41.2 | -175.8 | -75.4 | -48.8 | 0 | 0 | 0 | 114.6 | K36 | K36-D40 CarbonylContact O-C 3.59Å; K36-D40 WeakPolarHBondContact O-CA 3.35Å; K36-D40 PolarHBondContact O-N 3.06Å; K36-D40 VanDerWaalsContact O-N 3.14Å |
| 41 | L | 85.4 | Confident | 87.4 | Confident | 15 Ų | 15 | 54.3 Ų | 54.3 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | trans | -106.6 | 128.8 | -175.2 | -54.7 | 178.2 | 0 | 0 | 0 | 112.5 | F11 K36 F39 I44 V83 | F11-L41 HydrophobicContact CD1-CD1 4.16Å; F11-L41 HydrophobicContact CD2-CD1 4.01Å; F11-L41 HydrophobicContact CE1-CD1 3.79Å; F11-L41 HydrophobicContact CE1-CD2 3.77Å; F11-L41 HydrophobicContact CE1-CG 4.26Å; F11-L41 HydrophobicContact CE2-CD1 3.63Å; F11-L41 HydrophobicContact CE2-CD2 4.46Å; F11-L41 HydrophobicContact CG-CD1 4.25Å; F11-L41 HydrophobicContact CZ-CD1 3.48Å; F11-L41 VanDerWaalsContact CZ-CD1 3.48Å; F11-L41 HydrophobicContact CZ-CD2 3.56Å; F11-L41 HydrophobicContact CZ-CG 4.14Å; K36-L41 WeakPolarHBondContact CA-O 3.49Å; K36-L41 WeakPolarHBondContact CB-O 3.36Å; K36-L41 WeakPolarHBondContact CG-O 3.21Å; K36-L41 PolarHBondContact O-N 3.5Å; F39-L41 VanDerWaalsContact C-N 3.34Å; F39-L41 HydrophobicContact CB-CD1 3.78Å; F39-L41 HydrophobicContact CB-CG 3.79Å; F39-L41 WeakPolarHBondContact O-CD2 3.19Å; F39-L41 WeakPolarHBondContact O-CG 3.46Å; F39-L41 PolarHBondContact O-N 2.76Å; L41-I44 HydrophobicContact CB-CG2 3.4Å; L41-I44 HydrophobicContact CD1-CG2 3.49Å; L41-I44 VanDerWaalsContact CD1-CG2 3.49Å; L41-I44 HydrophobicContact CG-CG2 4.08Å; L41-V83 HydrophobicContact CD1-CG1 4.04Å | ||
| 42 | N | 76.5 | Confident | 87 | Confident | 147 Ų | 147 | 58.8 Ų | 58.8 | 79% | 0.786 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -78.5 | -37.1 | 176.4 | -66.2 | -61.4 | 0 | 0 | 0 | 112.8 | K36 | K36-N42 WeakPolarHBondContact CE-O 3.49Š|
| 43 | T | 83.1 | Confident | 86.4 | Confident | 55 Ų | 55 | 62.3 Ų | 62.3 | 34% | 0.337 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -137 | 122.1 | -171.3 | 35 | 0 | 0 | 0 | 0 | 109 | G86 H88 | T43-G86 VanDerWaalsContact CB-O 3.22Å; T43-G86 WeakPolarHBondContact CB-O 3.46Å; T43-G86 PolarHBondContact O-N 3.14Å; T43-G86 PolarHBondContact OG1-O 3.01Å; T43-H88 HydrophobicContact CG2-CB 4.22Å |
| 44 | I | 89.4 | Confident | 86.2 | Confident | 25 Ų | 25 | 66 Ų | 66 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 152.4 | -174.5 | 62.7 | 176.8 | 0 | 0 | 0 | 111.4 | E32 V35 K36 L41 I46 V83 H84 | E32-I44 HydrophobicContact CG-CD1 4.04Å; E32-I44 HydrophobicContact CG-CG1 4.17Å; V35-I44 HydrophobicContact CB-CD1 3.95Å; V35-I44 HydrophobicContact CG1-CD1 3.65Å; K36-I44 HydrophobicContact CG-CD1 3.7Å; K36-I44 HydrophobicContact CG-CG1 4Å; K36-I44 HydrophobicContact CG-CG2 4.33Å; L41-I44 HydrophobicContact CB-CG2 3.4Å; L41-I44 HydrophobicContact CD1-CG2 3.49Å; L41-I44 VanDerWaalsContact CD1-CG2 3.49Å; L41-I44 HydrophobicContact CG-CG2 4.08Å; I44-I46 HydrophobicContact CD1-CD1 3.58Å; I44-I46 HydrophobicContact CD1-CG1 3.83Å; I44-I46 HydrophobicContact CG1-CD1 4.41Å; I44-I46 HydrophobicContact CG1-CG1 4.32Å; I44-V83 HydrophobicContact CB-CG1 3.88Å; I44-V83 HydrophobicContact CD1-CG1 4.4Å; I44-V83 HydrophobicContact CG2-CG1 3.88Å; I44-H84 CarbonylContact C-O 3.58Å; I44-H84 WeakPolarHBondContact CA-O 3.37Å |
| 45 | Q | 89.8 | Confident | 85.9 | Confident | 99 Ų | 99 | 68.2 Ų | 68.2 | 46% | 0.463 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 119 | 161.8 | -176.5 | -177.8 | 27.4 | 0 | 0 | 107.7 | H84 | Q45-H84 HydrophobicContact CB-CB 4.41Å; Q45-H84 PolarHBondContact N-O 3.29Å; Q45-H84 PolarHBondContact O-N 3.29Å |
| 46 | I | 92.3 | Very high | 85.8 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 139.1 | 178.1 | -59 | 162.7 | 0 | 0 | 0 | 108.5 | W28 V35 I44 S57 I58 M81 Q82 V83 | W28-I46 HydrophobicContact CH2-CB 3.94Å; W28-I46 HydrophobicContact CH2-CD1 3.53Å; W28-I46 HydrophobicContact CH2-CG1 4.27Å; W28-I46 HydrophobicContact CH2-CG2 4.35Å; W28-I46 HydrophobicContact CZ2-CD1 4.2Å; W28-I46 HydrophobicContact CZ3-CD1 4.3Å; V35-I46 HydrophobicContact CB-CD1 4.1Å; V35-I46 HydrophobicContact CG1-CD1 4.09Å; V35-I46 HydrophobicContact CG1-CG1 4.4Å; V35-I46 HydrophobicContact CG2-CD1 4.17Å; I44-I46 HydrophobicContact CD1-CD1 3.58Å; I44-I46 HydrophobicContact CD1-CG1 3.83Å; I44-I46 HydrophobicContact CG1-CD1 4.41Å; I44-I46 HydrophobicContact CG1-CG1 4.32Å; I46-S57 WeakPolarHBondContact O-CA 3.4Å; I46-I58 PolarHBondContact O-N 2.87Å; I46-M81 HydrophobicContact CG2-CB 4.1Å; I46-M81 HydrophobicContact CG2-CE 3.87Å; I46-Q82 WeakPolarHBondContact CA-O 3.43Å; I46-V83 HydrophobicContact CG1-CG1 4.36Å; I46-V83 HydrophobicContact CG1-CG2 4.4Å |
| 47 | K | 91.9 | Very high | 85.8 | Confident | 43 Ų | 43 | 69.7 Ų | 69.7 | 19% | 0.187 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 162.6 | 169.1 | -48.2 | -171.5 | -163.9 | 172.5 | 0 | 110.6 | E55 V56 M81 Q82 | K47-E55 HydrophobicContact CD-CB 3.81Å; K47-E55 HydrophobicContact CD-CG 4.44Å; K47-E55 WeakPolarHBondContact CD-OE2 3.49Å; K47-E55 WeakPolarHBondContact CE-OE2 3.33Å; K47-E55 IonicContact NZ-OE2 3.86Å; K47-E55 PolarHBondContact NZ-OE2 2.97Å; K47-V56 CarbonylContact C-O 3.59Å; K47-V56 WeakPolarHBondContact CA-O 3.41Å; K47-V56 WeakPolarHBondContact CB-O 3.41Å; K47-M81 CarbonylContact O-C 3.58Å; K47-M81 WeakPolarHBondContact O-CA 3.5Å; K47-Q82 PolarHBondContact N-O 3.46Å; K47-Q82 PolarHBondContact O-N 2.87Å |
| 48 | Y | 91.6 | Very high | 85.9 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 5% | 0.051 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 165.3 | 166.3 | 73.7 | -76.7 | 0 | 0 | 0 | 110.2 | D50 V56 I58 A67 M70 L79 Q80 | Y48-D50 HydrophobicContact CE2-CB 4.47Å; Y48-V56 HydrophobicContact CD1-CB 4.13Å; Y48-V56 HydrophobicContact CD1-CG1 4.41Å; Y48-V56 WeakPolarHBondContact CD1-O 3.13Å; Y48-V56 HydrophobicContact CE1-CB 3.71Å; Y48-V56 HydrophobicContact CE1-CG1 3.64Å; Y48-V56 PolarHBondContact N-O 3.05Å; Y48-V56 PolarHBondContact O-N 3Å; Y48-I58 HydrophobicContact CD1-CD1 3.78Å; Y48-I58 HydrophobicContact CD1-CG1 3.51Å; Y48-I58 HydrophobicContact CE1-CD1 4.4Å; Y48-I58 HydrophobicContact CE1-CG1 3.94Å; Y48-I58 HydrophobicContact CG-CD1 4.45Å; Y48-A67 HydrophobicContact CD1-CB 3.87Å; Y48-A67 HydrophobicContact CD2-CB 3.77Å; Y48-A67 HydrophobicContact CE1-CB 3.79Å; Y48-A67 HydrophobicContact CE2-CB 3.7Å; Y48-A67 HydrophobicContact CG-CB 3.85Å; Y48-M70 HydrophobicContact CE2-CE 4.25Å; Y48-M70 HydrophobicContact CE2-SD 3.81Å; Y48-L79 HydrophobicContact CD2-CD1 4.06Å; Y48-L79 HydrophobicContact CG-CD1 4.38Å; Y48-Q80 WeakPolarHBondContact CA-O 3.41Å; Y48-Q80 WeakPolarHBondContact CB-O 3.49Å |
| 49 | L | 86.9 | Confident | 85.8 | Confident | 57 Ų | 57 | 68.2 Ų | 68.2 | 30% | 0.298 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.1 | 173.5 | -68.7 | 175 | 0 | 0 | 0 | 110.6 | E54 E55 | L49-E54 WeakPolarHBondContact CA-O 3.3Å; L49-E55 HydrophobicContact CD2-CG 3.95Å |
| 50 | D | 83.6 | Confident | 85.8 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | trans | -84.9 | -165.5 | -171.8 | 102.5 | -49.7 | 0 | 0 | 0 | 113.6 | Y48 E52 N53 E54 V56 M70 | Y48-D50 HydrophobicContact CE2-CB 4.47Å; D50-E52 WeakPolarHBondContact OD1-CA 3.37Å; D50-E52 PolarHBondContact OD1-N 3.46Å; D50-E52 PolarHBondContact OD2-N 2.81Å; D50-N53 PolarHBondContact OD1-N 2.72Å; D50-E54 PolarHBondContact N-O 2.89Å; D50-E54 PolarHBondContact OD1-N 2.93Å; D50-V56 HydrophobicContact CB-CG2 3.8Å; D50-M70 HydrophobicContact CB-CE 3.92Å | ||
| 51 | E | 78.8 | Confident | 86.1 | Confident | 112 Ų | 112 | 65 Ų | 65 | 52% | 0.523 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -17 | -179.9 | 68 | 163.4 | 163.3 | 0 | 0 | 115 | M70 K74 | E51-M70 HydrophobicContact CB-CE 3.72Å; E51-M70 HydrophobicContact CG-CE 4.13Å; E51-K74 HydrophobicContact CB-CD 4.26Å; E51-K74 PolarHBondContact O-NZ 3.39Å |
| 52 | E | 80.8 | Confident | 86.1 | Confident | 95 Ų | 95 | 71.2 Ų | 71.2 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 11 | 174.8 | -52.2 | -153.5 | 143.8 | 0 | 0 | 112.7 | D50 Q307 | D50-E52 WeakPolarHBondContact OD1-CA 3.37Å; D50-E52 PolarHBondContact OD1-N 3.46Å; D50-E52 PolarHBondContact OD2-N 2.81Å; E52-Q307 PolarHBondContact OE2-NE2 3.21Å |
| 53 | N | 78.2 | Confident | 86.7 | Confident | 128 Ų | 128 | 66.6 Ų | 66.6 | 68% | 0.684 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 70.1 | 27 | -177.5 | -76.4 | 97.7 | 0 | 0 | 0 | 115.2 | D50 | D50-N53 PolarHBondContact OD1-N 2.72Š|
| 54 | E | 83.3 | Confident | 87 | Confident | 127 Ų | 127 | 64 Ų | 64 | 59% | 0.593 | 32% | 0.321 | S | S | * | . | trans | -91 | 149.4 | 174.7 | -55.9 | -162.4 | 162.4 | 0 | 0 | 112.4 | L49 D50 V56 | L49-E54 WeakPolarHBondContact CA-O 3.3Å; D50-E54 PolarHBondContact N-O 2.89Å; D50-E54 PolarHBondContact OD1-N 2.93Å; E54-V56 PolarHBondContact O-N 2.82Å | ||
| 55 | E | 85.3 | Confident | 87 | Confident | 100 Ų | 100 | 66.5 Ų | 66.5 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 97.1 | 179.8 | -74.9 | 179.2 | -146.8 | 0 | 0 | 112.1 | K47 L49 | K47-E55 HydrophobicContact CD-CB 3.81Å; K47-E55 HydrophobicContact CD-CG 4.44Å; K47-E55 WeakPolarHBondContact CD-OE2 3.49Å; K47-E55 WeakPolarHBondContact CE-OE2 3.33Å; K47-E55 IonicContact NZ-OE2 3.86Å; K47-E55 PolarHBondContact NZ-OE2 2.97Å; L49-E55 HydrophobicContact CD2-CG 3.95Å |
| 56 | V | 87.9 | Confident | 86.8 | Confident | 49 Ų | 49 | 66.9 Ų | 66.9 | 30% | 0.297 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 125.2 | 179 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | K47 Y48 D50 E54 | K47-V56 CarbonylContact C-O 3.59Å; K47-V56 WeakPolarHBondContact CA-O 3.41Å; K47-V56 WeakPolarHBondContact CB-O 3.41Å; Y48-V56 HydrophobicContact CD1-CB 4.13Å; Y48-V56 HydrophobicContact CD1-CG1 4.41Å; Y48-V56 WeakPolarHBondContact CD1-O 3.13Å; Y48-V56 HydrophobicContact CE1-CB 3.71Å; Y48-V56 HydrophobicContact CE1-CG1 3.64Å; Y48-V56 PolarHBondContact N-O 3.05Å; Y48-V56 PolarHBondContact O-N 3Å; D50-V56 HydrophobicContact CB-CG2 3.8Å; E54-V56 PolarHBondContact O-N 2.82Å |
| 57 | S | 89.8 | Confident | 86.6 | Confident | 41 Ų | 41 | 66.8 Ų | 66.8 | 29% | 0.287 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 126.6 | 177.5 | 59.7 | 0 | 0 | 0 | 0 | 112.4 | I46 | I46-S57 WeakPolarHBondContact O-CA 3.4Å |
| 58 | I | 90 | Very high | 86.3 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 120.8 | 173.5 | -47.5 | 179.8 | 0 | 0 | 0 | 108.4 | W28 I46 Y48 E63 Y64 A67 M81 | W28-I58 HydrophobicContact CD2-CG2 3.79Å; W28-I58 HydrophobicContact CE3-CB 4.46Å; W28-I58 HydrophobicContact CE3-CG2 3.6Å; W28-I58 HydrophobicContact CH2-CB 3.61Å; W28-I58 HydrophobicContact CH2-CD1 4.35Å; W28-I58 HydrophobicContact CH2-CG2 3.63Å; W28-I58 HydrophobicContact CZ2-CB 3.98Å; W28-I58 HydrophobicContact CZ2-CG2 3.82Å; W28-I58 WeakPolarHBondContact CZ2-O 3.33Å; W28-I58 HydrophobicContact CZ3-CB 3.89Å; W28-I58 HydrophobicContact CZ3-CD1 3.97Å; W28-I58 HydrophobicContact CZ3-CG2 3.53Å; I46-I58 PolarHBondContact O-N 2.87Å; Y48-I58 HydrophobicContact CD1-CD1 3.78Å; Y48-I58 HydrophobicContact CD1-CG1 3.51Å; Y48-I58 HydrophobicContact CE1-CD1 4.4Å; Y48-I58 HydrophobicContact CE1-CG1 3.94Å; Y48-I58 HydrophobicContact CG-CD1 4.45Å; I58-E63 HydrophobicContact CG2-CB 4.1Å; I58-Y64 HydrophobicContact CD1-CD2 4.46Å; I58-A67 HydrophobicContact CD1-CB 4.14Å; I58-M81 HydrophobicContact CD1-CE 3.6Å |
| 59 | N | 85.2 | Confident | 86 | Confident | 110 Ų | 110 | 69.6 Ų | 69.6 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | trans | -124.6 | -7.5 | 174.8 | 65.9 | 87.3 | 0 | 0 | 0 | 112.9 | E63 | N59-E63 WeakPolarHBondContact CA-OE2 3.43Å; N59-E63 PolarHBondContact N-OE2 3.04Å; N59-E63 PolarHBondContact ND2-OE1 3.42Å; N59-E63 PolarHBondContact ND2-OE2 3.06Å; N59-E63 PolarHBondContact OD1-OE2 3.36Å | ||
| 60 | S | 88.1 | Confident | 85.8 | Confident | 37 Ų | 37 | 68.8 Ų | 68.8 | 26% | 0.259 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -144.1 | 163.2 | -174.1 | 67.9 | 0 | 0 | 0 | 0 | 113.6 | E62 E63 Y64 | S60-E62 VanDerWaalsContact C-N 3.34Å; S60-E62 PolarHBondContact O-N 2.87Å; S60-E63 PolarHBondContact N-OE2 3.14Å; S60-E63 PolarHBondContact O-N 3.08Å; S60-E63 WeakPolarHBondContact OG-CG 3.41Å; S60-E63 PolarHBondContact OG-OE2 3.28Å; S60-Y64 PolarHBondContact O-N 3.37Å |
| 61 | Q | 89.8 | Confident | 85.6 | Confident | 68 Ų | 68 | 67.3 Ų | 67.3 | 32% | 0.318 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 174.7 | 176.4 | 64.7 | 30.4 | 0 | 0 | 112.6 | W28 E63 Y64 E65 | W28-Q61 HydrophobicContact CB-CB 4.47Å; Q61-E63 PolarHBondContact O-N 3.29Å; Q61-Y64 PolarHBondContact O-N 3.49Å; Q61-E65 WeakPolarHBondContact CG-OE1 3.15Å; Q61-E65 PolarHBondContact NE2-OE1 3.14Å; Q61-E65 WeakPolarHBondContact O-CG 3.36Å; Q61-E65 PolarHBondContact O-N 3.44Å |
| 62 | E | 85.8 | Confident | 85.6 | Confident | 147 Ų | 147 | 65.4 Ų | 65.4 | 69% | 0.687 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.3 | -41.9 | -176.9 | -170.4 | 168.1 | -166.4 | 0 | 0 | 111.3 | S60 E65 E66 | S60-E62 VanDerWaalsContact C-N 3.34Å; S60-E62 PolarHBondContact O-N 2.87Å; E62-E65 PolarHBondContact O-N 3.48Å; E62-E66 PolarHBondContact O-N 3.38Å |
| 63 | E | 89.1 | Confident | 85.2 | Confident | 49 Ų | 49 | 67.6 Ų | 67.6 | 23% | 0.229 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.7 | -34.2 | 175 | -66.1 | 159.2 | 152.4 | 0 | 0 | 112.8 | I58 N59 S60 Q61 E66 A67 | I58-E63 HydrophobicContact CG2-CB 4.1Å; N59-E63 WeakPolarHBondContact CA-OE2 3.43Å; N59-E63 PolarHBondContact N-OE2 3.04Å; N59-E63 PolarHBondContact ND2-OE1 3.42Å; N59-E63 PolarHBondContact ND2-OE2 3.06Å; N59-E63 PolarHBondContact OD1-OE2 3.36Å; S60-E63 PolarHBondContact N-OE2 3.14Å; S60-E63 PolarHBondContact O-N 3.08Å; S60-E63 WeakPolarHBondContact OG-CG 3.41Å; S60-E63 PolarHBondContact OG-OE2 3.28Å; Q61-E63 PolarHBondContact O-N 3.29Å; E63-E66 PolarHBondContact O-N 3.13Å; E63-A67 WeakPolarHBondContact O-CB 3.5Å; E63-A67 PolarHBondContact O-N 3.27Å |
| 64 | Y | 89.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 173.3 | 175.4 | -116.6 | 0 | 0 | 0 | 111.2 | W28 V31 I58 S60 Q61 E66 A67 L68 | W28-Y64 AromaticContact CE3-CD2 3.88Å; W28-Y64 HydrophobicContact CE3-CD2 3.88Å; W28-Y64 AromaticContact CE3-CG 3.89Å; W28-Y64 HydrophobicContact CE3-CG 3.89Å; W28-Y64 HydrophobicContact CZ3-CD2 4.21Å; V31-Y64 HydrophobicContact CG1-CE2 4.46Å; V31-Y64 HydrophobicContact CG2-CE1 4.19Å; V31-Y64 HydrophobicContact CG2-CE2 3.93Å; I58-Y64 HydrophobicContact CD1-CD2 4.46Å; S60-Y64 PolarHBondContact O-N 3.37Å; Q61-Y64 PolarHBondContact O-N 3.49Å; Y64-E66 VanDerWaalsContact C-N 3.35Å; Y64-E66 PolarHBondContact O-N 2.91Å; Y64-A67 WeakPolarHBondContact O-CB 3.32Å; Y64-A67 PolarHBondContact O-N 3.26Å; Y64-L68 HydrophobicContact CD1-CD1 4.02Å; Y64-L68 HydrophobicContact CE1-CD1 3.46Å; Y64-L68 VanDerWaalsContact CE1-CD1 3.46Å; Y64-L68 HydrophobicContact CE1-CG 4.17Å; Y64-L68 HydrophobicContact CE2-CD1 4.25Å; Y64-L68 HydrophobicContact CE2-CD2 4.26Å; Y64-L68 HydrophobicContact CE2-CG 4.04Å; Y64-L68 WeakPolarHBondContact O-CG 3.49Å; Y64-L68 PolarHBondContact O-N 3.15Å |
| 65 | E | 88.4 | Confident | 83.5 | Confident | 78 Ų | 78 | 64.2 Ų | 64.2 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.3 | -32.5 | 175.1 | -66.9 | 173.8 | -153.6 | 0 | 0 | 113 | Q61 E62 K69 | Q61-E65 WeakPolarHBondContact CG-OE1 3.15Å; Q61-E65 PolarHBondContact NE2-OE1 3.14Å; Q61-E65 WeakPolarHBondContact O-CG 3.36Å; Q61-E65 PolarHBondContact O-N 3.44Å; E62-E65 PolarHBondContact O-N 3.48Å; E65-K69 VanDerWaalsContact CB-NZ 3.3Å; E65-K69 WeakPolarHBondContact O-CD 3.22Å; E65-K69 VanDerWaalsContact O-CE 3.23Å; E65-K69 WeakPolarHBondContact O-CE 3.44Å; E65-K69 WeakPolarHBondContact O-CG 3.48Å; E65-K69 PolarHBondContact O-N 3.42Å; E65-K69 IonicContact OE2-NZ 3.47Å; E65-K69 PolarHBondContact OE2-NZ 3.28Å |
| 66 | E | 86.9 | Confident | 82.8 | Confident | 107 Ų | 107 | 62.4 Ų | 62.4 | 50% | 0.5 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 169.9 | -70 | -158.3 | 139.3 | 0 | 0 | 111.5 | E62 E63 Y64 L68 K69 M70 | E62-E66 PolarHBondContact O-N 3.38Å; E63-E66 PolarHBondContact O-N 3.13Å; Y64-E66 VanDerWaalsContact C-N 3.35Å; Y64-E66 PolarHBondContact O-N 2.91Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 3.39Å; E66-K69 WeakPolarHBondContact O-CB 3.45Å; E66-K69 PolarHBondContact O-N 3.08Å; E66-K69 VanDerWaalsContact O-N 3.15Å; E66-M70 VanDerWaalsContact O-CG 3.26Å; E66-M70 WeakPolarHBondContact O-CG 3.45Å; E66-M70 PolarHBondContact O-N 2.94Å |
| 67 | A | 88.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59 | -41.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y48 I58 E63 Y64 M70 A71 L79 | Y48-A67 HydrophobicContact CD1-CB 3.87Å; Y48-A67 HydrophobicContact CD2-CB 3.77Å; Y48-A67 HydrophobicContact CE1-CB 3.79Å; Y48-A67 HydrophobicContact CE2-CB 3.7Å; Y48-A67 HydrophobicContact CG-CB 3.85Å; I58-A67 HydrophobicContact CD1-CB 4.14Å; E63-A67 WeakPolarHBondContact O-CB 3.5Å; E63-A67 PolarHBondContact O-N 3.27Å; Y64-A67 WeakPolarHBondContact O-CB 3.32Å; Y64-A67 PolarHBondContact O-N 3.26Å; A67-M70 PolarHBondContact O-N 2.9Å; A67-A71 PolarHBondContact O-N 3.31Å; A67-L79 HydrophobicContact CB-CD1 4.16Å; A67-L79 HydrophobicContact CB-CD2 3.74Å |
| 68 | L | 85.7 | Confident | 82.3 | Confident | 12 Ų | 12 | 65 Ų | 65 | 6% | 0.063 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 173.3 | -74.9 | 174.3 | 0 | 0 | 0 | 112.8 | V5 P23 Y64 E66 M70 A71 N72 | V5-L68 HydrophobicContact CB-CD2 4.37Å; V5-L68 HydrophobicContact CG1-CD2 3.94Å; V5-L68 HydrophobicContact CG2-CD2 4.39Å; P23-L68 HydrophobicContact CB-CD1 3.9Å; P23-L68 HydrophobicContact CB-CD2 3.89Å; P23-L68 WeakPolarHBondContact O-CD1 3.08Å; Y64-L68 HydrophobicContact CD1-CD1 4.02Å; Y64-L68 HydrophobicContact CE1-CD1 3.46Å; Y64-L68 VanDerWaalsContact CE1-CD1 3.46Å; Y64-L68 HydrophobicContact CE1-CG 4.17Å; Y64-L68 HydrophobicContact CE2-CD1 4.25Å; Y64-L68 HydrophobicContact CE2-CD2 4.26Å; Y64-L68 HydrophobicContact CE2-CG 4.04Å; Y64-L68 WeakPolarHBondContact O-CG 3.49Å; Y64-L68 PolarHBondContact O-N 3.15Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 3.39Å; L68-M70 PolarHBondContact O-N 3.15Å; L68-A71 WeakPolarHBondContact O-CB 3.26Å; L68-A71 PolarHBondContact O-N 3.46Å; L68-N72 PolarHBondContact O-N 3.49Å; L68-N72 VanDerWaalsContact O-N 3.15Å |
| 69 | K | 85.3 | Confident | 82.3 | Confident | 103 Ų | 103 | 64.9 Ų | 64.9 | 45% | 0.448 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.1 | -36.5 | 175.6 | -69.1 | 153.7 | -158.6 | 151.4 | 0 | 110.6 | E65 E66 I73 | E65-K69 VanDerWaalsContact CB-NZ 3.3Å; E65-K69 WeakPolarHBondContact O-CD 3.22Å; E65-K69 VanDerWaalsContact O-CE 3.23Å; E65-K69 WeakPolarHBondContact O-CE 3.44Å; E65-K69 WeakPolarHBondContact O-CG 3.48Å; E65-K69 PolarHBondContact O-N 3.42Å; E65-K69 IonicContact OE2-NZ 3.47Å; E65-K69 PolarHBondContact OE2-NZ 3.28Å; E66-K69 WeakPolarHBondContact O-CB 3.45Å; E66-K69 PolarHBondContact O-N 3.08Å; E66-K69 VanDerWaalsContact O-N 3.15Å; K69-I73 WeakPolarHBondContact O-CB 3.49Å; K69-I73 WeakPolarHBondContact O-CD1 3.34Å; K69-I73 WeakPolarHBondContact O-CG1 3.37Å; K69-I73 PolarHBondContact O-N 3Å; K69-I73 VanDerWaalsContact O-N 3.15Å |
| 70 | M | 81.6 | Confident | 82.4 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 20% | 0.202 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -75 | -37.1 | 179.7 | -64.8 | 166.4 | 80.1 | 0 | 0 | 113 | Y48 D50 E51 E66 A67 L68 N72 I73 K74 | Y48-M70 HydrophobicContact CE2-CE 4.25Å; Y48-M70 HydrophobicContact CE2-SD 3.81Å; D50-M70 HydrophobicContact CB-CE 3.92Å; E51-M70 HydrophobicContact CB-CE 3.72Å; E51-M70 HydrophobicContact CG-CE 4.13Å; E66-M70 VanDerWaalsContact O-CG 3.26Å; E66-M70 WeakPolarHBondContact O-CG 3.45Å; E66-M70 PolarHBondContact O-N 2.94Å; A67-M70 PolarHBondContact O-N 2.9Å; L68-M70 PolarHBondContact O-N 3.15Å; M70-N72 VanDerWaalsContact C-N 3.33Å; M70-N72 PolarHBondContact O-N 2.91Å; M70-I73 PolarHBondContact O-N 2.67Å; M70-K74 PolarHBondContact O-N 2.97Å |
| 71 | A | 81 | Confident | 82.6 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 2% | 0.017 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.8 | -45.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | V5 A67 L68 Q75 G76 N77 Q78 L79 | V5-A71 HydrophobicContact CG1-CB 4.42Å; A67-A71 PolarHBondContact O-N 3.31Å; L68-A71 WeakPolarHBondContact O-CB 3.26Å; L68-A71 PolarHBondContact O-N 3.46Å; A71-Q75 CarbonylContact O-C 3.38Å; A71-Q75 PolarHBondContact O-N 3.45Å; A71-Q75 VanDerWaalsContact O-N 3.08Å; A71-G76 PolarHBondContact O-N 3.13Å; A71-N77 PolarHBondContact O-N 2.85Å; A71-Q78 WeakPolarHBondContact CA-O 3.46Å; A71-Q78 VanDerWaalsContact CB-O 3.22Å; A71-Q78 WeakPolarHBondContact CB-O 3.33Å; A71-L79 HydrophobicContact CB-CB 3.95Å; A71-L79 HydrophobicContact CB-CD1 4.36Å |
| 72 | N | 77.6 | Confident | 82.6 | Confident | 73 Ų | 73 | 63.3 Ų | 63.3 | 39% | 0.39 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.5 | -30.8 | 179.1 | -66.7 | -4.1 | 0 | 0 | 0 | 112.8 | V5 L68 M70 N77 | V5-N72 WeakPolarHBondContact CG2-OD1 3.37Å; L68-N72 PolarHBondContact O-N 3.49Å; L68-N72 VanDerWaalsContact O-N 3.15Å; M70-N72 VanDerWaalsContact C-N 3.33Å; M70-N72 PolarHBondContact O-N 2.91Å; N72-N77 PolarHBondContact OD1-OD1 3.05Å |
| 73 | I | 72.5 | Confident | 82.9 | Confident | 140 Ų | 140 | 56.6 Ų | 56.6 | 72% | 0.718 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -84.6 | -35.7 | -179.2 | -69.7 | 166.9 | 0 | 0 | 0 | 112.9 | K69 M70 | K69-I73 WeakPolarHBondContact O-CB 3.49Å; K69-I73 WeakPolarHBondContact O-CD1 3.34Å; K69-I73 WeakPolarHBondContact O-CG1 3.37Å; K69-I73 PolarHBondContact O-N 3Å; K69-I73 VanDerWaalsContact O-N 3.15Å; M70-I73 PolarHBondContact O-N 2.67Å |
| 74 | K | 65.1 | Low | 82.8 | Confident | 115 Ų | 115 | 57.1 Ų | 57.1 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -115 | -24.5 | -169.4 | -71.3 | -158.3 | 172.9 | -158.4 | 0 | 116.6 | E51 M70 | E51-K74 HydrophobicContact CB-CD 4.26Å; E51-K74 PolarHBondContact O-NZ 3.39Å; M70-K74 PolarHBondContact O-N 2.97Å |
| 75 | Q | 60 | Low | 82.5 | Confident | 69 Ų | 69 | 62.6 Ų | 62.6 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -129.9 | 17.4 | -165.1 | -67.9 | -167.5 | 24.4 | 0 | 0 | 114.3 | A71 Q78 | A71-Q75 CarbonylContact O-C 3.38Å; A71-Q75 PolarHBondContact O-N 3.45Å; A71-Q75 VanDerWaalsContact O-N 3.08Å; Q75-Q78 HydrophobicContact CB-CB 4.34Å; Q75-Q78 WeakPolarHBondContact CB-O 3.26Å; Q75-Q78 WeakPolarHBondContact O-CB 3.27Å; Q75-Q78 PolarHBondContact O-N 3.46Å; Q75-Q78 PolarHBondContact OE1-O 3.46Å |
| 76 | G | 71.9 | Confident | 81.5 | Confident | 63 Ų | 63 | 60.1 Ų | 60.1 | 65% | 0.649 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 61.4 | 49.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A71 Q78 | A71-G76 PolarHBondContact O-N 3.13Å; G76-Q78 VanDerWaalsContact C-N 3.32Å; G76-Q78 PolarHBondContact O-N 3.26Å |
| 77 | N | 82.7 | Confident | 79.1 | Confident | 57 Ų | 57 | 61.2 Ų | 61.2 | 31% | 0.305 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 61.4 | 33.5 | -175.9 | -58.7 | 19.5 | 0 | 0 | 0 | 113.9 | Q4 V5 T6 A71 N72 | Q4-N77 VanDerWaalsContact O-CB 3.3Å; Q4-N77 WeakPolarHBondContact O-CB 3.38Å; Q4-N77 PolarHBondContact O-ND2 3.48Å; V5-N77 CarbonylContact C-O 3.58Å; V5-N77 WeakPolarHBondContact CA-O 3.42Å; V5-N77 HydrophobicContact CG2-CB 4.2Å; T6-N77 PolarHBondContact N-O 3.26Å; A71-N77 PolarHBondContact O-N 2.85Å; N72-N77 PolarHBondContact OD1-OD1 3.05Å |
| 78 | Q | 84.1 | Confident | 76.6 | Confident | 88 Ų | 88 | 67.2 Ų | 67.2 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 138.9 | 169.4 | -55.7 | -170 | 43.3 | 0 | 0 | 110.7 | T6 N8 A71 Q75 G76 | T6-Q78 CarbonylContact O-C 3.6Å; T6-Q78 WeakPolarHBondContact O-CA 3.29Å; N8-Q78 PolarHBondContact ND2-OE1 2.74Å; A71-Q78 WeakPolarHBondContact CA-O 3.46Å; A71-Q78 VanDerWaalsContact CB-O 3.22Å; A71-Q78 WeakPolarHBondContact CB-O 3.33Å; Q75-Q78 HydrophobicContact CB-CB 4.34Å; Q75-Q78 WeakPolarHBondContact CB-O 3.26Å; Q75-Q78 WeakPolarHBondContact O-CB 3.27Å; Q75-Q78 PolarHBondContact O-N 3.46Å; Q75-Q78 PolarHBondContact OE1-O 3.46Å; G76-Q78 VanDerWaalsContact C-N 3.32Å; G76-Q78 PolarHBondContact O-N 3.26Å |
| 79 | L | 88.8 | Confident | 74.1 | Confident | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.5 | 173.9 | -175.3 | 58.9 | 0 | 0 | 0 | 109.7 | T6 L7 N8 Y48 A67 A71 M81 | T6-L79 PolarHBondContact O-N 3Å; L7-L79 HydrophobicContact CD2-CB 3.8Å; L7-L79 HydrophobicContact CD2-CD2 3.97Å; L7-L79 HydrophobicContact CD2-CG 4.42Å; N8-L79 PolarHBondContact N-O 2.87Å; Y48-L79 HydrophobicContact CD2-CD1 4.06Å; Y48-L79 HydrophobicContact CG-CD1 4.38Å; A67-L79 HydrophobicContact CB-CD1 4.16Å; A67-L79 HydrophobicContact CB-CD2 3.74Å; A71-L79 HydrophobicContact CB-CB 3.95Å; A71-L79 HydrophobicContact CB-CD1 4.36Å; L79-M81 HydrophobicContact CD2-CE 4.08Å; L79-M81 HydrophobicContact CD2-CG 4.07Å; L79-M81 HydrophobicContact CD2-SD 4.13Å; L79-M81 HydrophobicContact CG-CG 3.86Å; L79-M81 HydrophobicContact CG-SD 4.47Å |
| 80 | Q | 88.6 | Confident | 71.6 | Confident | 98 Ų | 98 | 73.4 Ų | 73.4 | 46% | 0.458 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 124.8 | 171.5 | -66.5 | -176.1 | 8.5 | 0 | 0 | 110 | Y48 | Y48-Q80 WeakPolarHBondContact CA-O 3.41Å; Y48-Q80 WeakPolarHBondContact CB-O 3.49Å |
| 81 | M | 91.8 | Very high | 69 | Low | 4 Ų | 4 | 78.2 Ų | 78.2 | 2% | 0.02 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 142.3 | -177.2 | -51.1 | 179.1 | 94.4 | 0 | 0 | 110.2 | L7 N8 V9 T10 W28 V31 I46 K47 I58 L79 | L7-M81 HydrophobicContact CB-SD 4.01Å; L7-M81 HydrophobicContact CD1-SD 4.12Å; L7-M81 HydrophobicContact CD2-SD 4.09Å; L7-M81 HydrophobicContact CG-SD 4.3Å; N8-M81 PolarHBondContact O-N 3.42Å; V9-M81 CarbonylContact C-O 3.58Å; V9-M81 WeakPolarHBondContact CA-O 3.46Å; V9-M81 HydrophobicContact CG2-CB 4.21Å; V9-M81 HydrophobicContact CG2-SD 4.02Å; T10-M81 PolarHBondContact N-O 3.15Å; W28-M81 HydrophobicContact CZ3-CE 4.31Å; V31-M81 HydrophobicContact CG1-CE 4.42Å; I46-M81 HydrophobicContact CG2-CB 4.1Å; I46-M81 HydrophobicContact CG2-CE 3.87Å; K47-M81 CarbonylContact O-C 3.58Å; K47-M81 WeakPolarHBondContact O-CA 3.5Å; I58-M81 HydrophobicContact CD1-CE 3.6Å; L79-M81 HydrophobicContact CD2-CE 4.08Å; L79-M81 HydrophobicContact CD2-CG 4.07Å; L79-M81 HydrophobicContact CD2-SD 4.13Å; L79-M81 HydrophobicContact CG-CG 3.86Å; L79-M81 HydrophobicContact CG-SD 4.47Å |
| 82 | Q | 90.3 | Very high | 66.5 | Low | 79 Ų | 79 | 85.5 Ų | 85.5 | 37% | 0.369 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 122.6 | 179.8 | -167.8 | -177.2 | 9.1 | 0 | 0 | 110.9 | T10 I46 K47 H84 | T10-Q82 WeakPolarHBondContact O-CA 3.32Å; I46-Q82 WeakPolarHBondContact CA-O 3.43Å; K47-Q82 PolarHBondContact N-O 3.46Å; K47-Q82 PolarHBondContact O-N 2.87Å; Q82-H84 PolarHBondContact O-ND1 3.07Å |
| 83 | V | 91.8 | Very high | 64.3 | Low | 6 Ų | 6 | 87.8 Ų | 87.8 | 4% | 0.036 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 139.5 | -176.8 | -164.4 | 0 | 0 | 0 | 0 | 110 | V9 T10 F11 V35 L41 I44 I46 | V9-V83 HydrophobicContact CG1-CG2 3.23Å; T10-V83 PolarHBondContact O-N 2.98Å; F11-V83 HydrophobicContact CB-CB 4.09Å; F11-V83 HydrophobicContact CB-CG2 4.47Å; F11-V83 HydrophobicContact CD2-CB 3.88Å; F11-V83 HydrophobicContact CD2-CG1 4.13Å; F11-V83 WeakPolarHBondContact CD2-O 3.27Å; F11-V83 HydrophobicContact CG-CB 4.37Å; V35-V83 HydrophobicContact CG1-CG1 4.04Å; V35-V83 HydrophobicContact CG1-CG2 3.61Å; L41-V83 HydrophobicContact CD1-CG1 4.04Å; I44-V83 HydrophobicContact CB-CG1 3.88Å; I44-V83 HydrophobicContact CD1-CG1 4.4Å; I44-V83 HydrophobicContact CG2-CG1 3.88Å; I46-V83 HydrophobicContact CG1-CG1 4.36Å; I46-V83 HydrophobicContact CG1-CG2 4.4Å |
| 84 | H | 86.2 | Confident | 62 | Low | 60 Ų | 60 | 89.3 Ų | 89.3 | 28% | 0.278 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 138.8 | 174.4 | -59.6 | 77 | 0 | 0 | 0 | 108.6 | I44 Q45 Q82 G86 | I44-H84 CarbonylContact C-O 3.58Å; I44-H84 WeakPolarHBondContact CA-O 3.37Å; Q45-H84 HydrophobicContact CB-CB 4.41Å; Q45-H84 PolarHBondContact N-O 3.29Å; Q45-H84 PolarHBondContact O-N 3.29Å; Q82-H84 PolarHBondContact O-ND1 3.07Å; H84-G86 PolarHBondContact O-N 2.97Å |
| 85 | E | 84.6 | Confident | 60.4 | Low | 115 Ų | 115 | 89 Ų | 89 | 54% | 0.537 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 116.7 | -179.3 | -171.5 | 174.7 | 177.5 | 0 | 0 | 110.1 | F11 K12 C87 | F11-E85 HydrophobicContact CE2-CB 4.06Å; F11-E85 HydrophobicContact CZ-CB 4.18Å; K12-E85 WeakPolarHBondContact CE-OE2 3.48Å; K12-E85 IonicContact NZ-OE2 3.55Å; K12-E85 PolarHBondContact NZ-OE2 3.26Å; E85-C87 PolarHBondContact O-N 2.81Å |
| 86 | G | 66.5 | Low | 59.2 | Low | 27 Ų | 27 | 91.9 Ų | 91.9 | 28% | 0.278 | 52% | 0.516 | S | S | . | . | trans | -80.4 | 108.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T43 H84 H88 | T43-G86 VanDerWaalsContact CB-O 3.22Å; T43-G86 WeakPolarHBondContact CB-O 3.46Å; T43-G86 PolarHBondContact O-N 3.14Å; T43-G86 PolarHBondContact OG1-O 3.01Å; H84-G86 PolarHBondContact O-N 2.97Å; G86-H88 PolarHBondContact O-N 3.23Å | ||
| 87 | C | 36.7 | Very low | 56.9 | Low | 129 Ų | 129 | 95.6 Ų | 95.6 | 87% | 0.872 | 53% | 0.526 | S | S | * | . | trans | -73 | 109.5 | 177 | -170.4 | 0 | 0 | 0 | 0 | 110.9 | E85 | E85-C87 PolarHBondContact O-N 2.81Š| ||
| 88 | H | 36.8 | Very low | 54.2 | Low | 127 Ų | 127 | 99.1 Ų | 99.1 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | trans | -108.4 | 110.3 | 177.7 | -173.3 | -65.3 | 0 | 0 | 0 | 110.9 | T43 G86 V90 | T43-H88 HydrophobicContact CG2-CB 4.22Å; G86-H88 PolarHBondContact O-N 3.23Å; H88-V90 PolarHBondContact O-N 2.9Å | ||
| 89 | V | 31.8 | Very low | 51.3 | Low | 133 Ų | 133 | 101.2 Ų | 101.2 | 81% | 0.806 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 116.5 | 171.6 | -179.4 | 0 | 0 | 0 | 0 | 109 | ||
| 90 | V | 32.9 | Very low | 48.2 | Very low | 111 Ų | 111 | 107.7 Ų | 107.7 | 67% | 0.673 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 126.3 | 177.5 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | H88 | H88-V90 PolarHBondContact O-N 2.9Š|
| 91 | D | 27.6 | Very low | 45.2 | Very low | 142 Ų | 142 | 110.7 Ų | 110.7 | 76% | 0.759 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -89 | 117.1 | 175 | -172 | 24.2 | 0 | 0 | 0 | 110.1 | ||
| 92 | E | 27.5 | Very low | 42 | Very low | 155 Ų | 155 | 119.7 Ų | 119.7 | 72% | 0.724 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 123.7 | -179.1 | -85.1 | -152.5 | 121.7 | 0 | 0 | 112.2 | ||
| 93 | T | 32.3 | Very low | 38.8 | Very low | 122 Ų | 122 | 122.1 Ų | 122.1 | 75% | 0.748 | 67% | 0.671 | S | S | * | * | trans | -106.1 | 116.3 | 173.5 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 94 | F | 25 | Very low | 35.6 | Very low | 172 Ų | 172 | 126.7 Ų | 126.7 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | trans | -137.7 | 164.9 | 170.6 | -83.8 | -57.3 | 0 | 0 | 0 | 112.1 | ||||
| 95 | P | 30.4 | Very low | 32.7 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | trans | -97.9 | 167.4 | -131 | 37.4 | -38.2 | 0 | 0 | 0 | 116.2 | ||||
| 96 | P | 35.3 | Very low | 30.2 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 84% | 0.844 | 75% | 0.748 | S | S | * | * | trans | -77.1 | 152.5 | -169.4 | 31.3 | -37.8 | 0 | 0 | 0 | 114.7 | ||||
| 97 | T | 22.5 | Very low | 28.3 | Very low | 141 Ų | 141 | 139 Ų | 139 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | trans | -127.9 | 144.7 | 169.3 | -61.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 98 | V | 26.3 | Very low | 27.8 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -100.1 | 143 | -173.3 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 99 | V | 24.3 | Very low | 27.7 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | 172.4 | 111.3 | 147.6 | 145.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 100 | E | 23.6 | Very low | 27.7 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | 76.8 | 86.5 | 70 | -164.9 | 167.1 | -162 | 0 | 0 | 115.1 | |||||
| 101 | K | 24.9 | Very low | 27.8 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 70% | 0.7 | 79% | 0.788 | S | S | * | * | 52.5 | 119.2 | 123.1 | 173.8 | -158.9 | 178.3 | -173.3 | 0 | 119.3 | |||||
| 102 | Q | 24.7 | Very low | 27.7 | Very low | 194 Ų | 194 | 144.3 Ų | 144.3 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | -158.1 | 177.7 | 122.3 | -117.9 | 177 | 70.3 | 0 | 0 | 114.2 | |||||
| 103 | V | 23.8 | Very low | 27.7 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | -131.2 | 143.7 | -164.1 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 104 | A | 23.5 | Very low | 27.4 | Very low | 103 Ų | 103 | 144 Ų | 144 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -136 | 146.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 105 | A | 26.4 | Very low | 27.3 | Very low | 85 Ų | 85 | 141.6 Ų | 141.6 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | trans | -158.9 | 178.6 | -172 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 106 | R | 32.4 | Very low | 27.5 | Very low | 239 Ų | 239 | 141.7 Ų | 141.7 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | 91.9 | 143.4 | -176.5 | -58 | 174.3 | 177.3 | -159 | -2 | 113 | ||||
| 107 | T | 25.9 | Very low | 27.1 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | cis | -145.8 | 154.5 | 6.7 | -6.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 108 | G | 26.9 | Very low | 27.4 | Very low | 69 Ų | 69 | 142.4 Ų | 142.4 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | cis | 97 | 137.2 | 38.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 109 | K | 33.5 | Very low | 27.4 | Very low | 215 Ų | 215 | 147.6 Ų | 147.6 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | cis | -162.9 | 171.7 | -5.8 | -113.3 | -179.9 | -179.6 | -177.9 | 0 | 109.9 | ||||
| 110 | K | 32.2 | Very low | 27.7 | Very low | 191 Ų | 191 | 147 Ų | 147 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -83.6 | 167.1 | 178.7 | -57.4 | -178.4 | -179.2 | -178.8 | 0 | 114.2 | ||||
| 111 | P | 34.9 | Very low | 28.1 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | -132.6 | 163.1 | 98.3 | 15.1 | 7.9 | 0 | 0 | 0 | 112.7 | |||||
| 112 | L | 26.4 | Very low | 28.3 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | cis | 69 | 136 | 48.9 | -60.5 | 171.6 | 0 | 0 | 0 | 114.7 | ||||
| 113 | A | 26.3 | Very low | 28.6 | Very low | 79 Ų | 79 | 140.2 Ų | 140.2 | 65% | 0.653 | 80% | 0.804 | S | S | * | * | cis | -167.7 | 161.8 | -19.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 114 | H | 26 | Very low | 28.9 | Very low | 191 Ų | 191 | 140.8 Ų | 140.8 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | trans | 46.1 | 130 | 161.3 | -77.4 | -79.1 | 0 | 0 | 0 | 122.9 | ||||
| 115 | S | 22.5 | Very low | 29.1 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | -162.4 | 167.5 | 116 | 65.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 116 | S | 35.1 | Very low | 29 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -156.3 | 136.9 | 178.7 | 55.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 117 | L | 27.6 | Very low | 28.5 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | -161.5 | 172.3 | 165.3 | -117.1 | 173.4 | 0 | 0 | 0 | 112.8 | ||||
| 118 | V | 29 | Very low | 28.4 | Very low | 114 Ų | 114 | 141 Ų | 141 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | -124.5 | 143.7 | -159.1 | 171.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 119 | R | 26.3 | Very low | 28.2 | Very low | 240 Ų | 240 | 147 Ų | 147 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -161.9 | 169.5 | 142 | -127.7 | 165.3 | -77.9 | -167.4 | -4 | 114.9 | ||||
| 120 | V | 30.6 | Very low | 28 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -135.8 | 169.3 | -170.1 | 173.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 121 | L | 30.8 | Very low | 28.5 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | 98.7 | 135.4 | 177.4 | -58 | 165.2 | 0 | 0 | 0 | 114.3 | ||||
| 122 | G | 30.1 | Very low | 28 | Very low | 59 Ų | 59 | 139 Ų | 139 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | cis | 170.8 | -168.8 | -4.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 123 | S | 31.3 | Very low | 27.9 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | 77.7 | 145 | 179.1 | 84.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 124 | D | 28.5 | Very low | 27.9 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | cis | -157.9 | 166.1 | -4.1 | -139.8 | -37.5 | 0 | 0 | 0 | 114 | ||||
| 125 | M | 27.8 | Very low | 28 | Very low | 152 Ų | 152 | 138 Ų | 138 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | 63.8 | 148.9 | 158.3 | -63.2 | -171.3 | 84.1 | 0 | 0 | 120.4 | ||||
| 126 | K | 25.2 | Very low | 28.1 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | cis | -169.5 | 152.8 | -22 | -176.9 | -173.4 | 166.5 | -175 | 0 | 109.9 | ||||
| 127 | T | 22.1 | Very low | 27.8 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 108.6 | 114.1 | 152.7 | -33.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 128 | T | 23.2 | Very low | 27.6 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -87.9 | 160.9 | 170.8 | -32.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 129 | E | 22.8 | Very low | 27.4 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | -154.9 | 151.7 | 118.6 | -120.1 | 172.9 | -166.1 | 0 | 0 | 113.3 | |||||
| 130 | E | 28.6 | Very low | 27.5 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 70% | 0.696 | 78% | 0.779 | S | S | * | * | trans | -134 | 152.5 | 174.5 | -163.7 | -141.8 | 118.8 | 0 | 0 | 105.2 | A132 | E130-A132 PolarHBondContact OE1-N 2.75Š| ||
| 131 | P | 42.8 | Very low | 27.3 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | -153.5 | 140.4 | 102.7 | 35.7 | -17 | 0 | 0 | 0 | 117.2 | |||||
| 132 | A | 24.8 | Very low | 27.8 | Very low | 79 Ų | 79 | 131.5 Ų | 131.5 | 65% | 0.653 | 77% | 0.769 | S | S | * | * | 32.2 | 150.7 | 129.1 | 0 | 0 | 0 | 0 | 0 | 124.7 | E130 | E130-A132 PolarHBondContact OE1-N 2.75Š| |||
| 133 | A | 25.3 | Very low | 27.6 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | trans | 102.4 | 131.9 | 146.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 134 | Q | 26.4 | Very low | 28 | Very low | 182 Ų | 182 | 134.3 Ų | 134.3 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | -85.5 | 156.5 | 164.5 | -58 | -179.7 | -25.4 | 0 | 0 | 109.5 | ||||
| 135 | P | 27.2 | Very low | 27.9 | Very low | 125 Ų | 125 | 133 Ų | 133 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | -142 | 170.8 | 74 | 36.9 | -18.6 | 0 | 0 | 0 | 116.1 | |||||
| 136 | C | 24.2 | Very low | 28.4 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | trans | -73.4 | 165 | 171 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 137 | P | 29.2 | Very low | 29 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | -120.2 | 157.8 | 74.2 | 2.2 | 19.6 | 0 | 0 | 0 | 112 | |||||
| 138 | L | 24.3 | Very low | 29.5 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | cis | 137.3 | 103.1 | 6.3 | 175.8 | 94.8 | 0 | 0 | 0 | 104.8 | ||||
| 139 | V | 24.5 | Very low | 30.6 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | trans | 174.1 | 123.6 | 136 | 149.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 140 | T | 27.1 | Very low | 31.1 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | 48.9 | 112.7 | 157.6 | -49.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 141 | Q | 28.4 | Very low | 31.7 | Very low | 171 Ų | 171 | 130 Ų | 130 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -97.2 | 174.5 | 151.9 | -115.3 | -169.9 | 9.5 | 0 | 0 | 109.3 | ||||
| 142 | P | 41 | Very low | 31.7 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 63% | 0.63 | 79% | 0.785 | S | S | * | * | cis | -136.7 | 158 | -12.6 | 37.3 | -19.9 | 0 | 0 | 0 | 116 | ||||
| 143 | C | 24.3 | Very low | 33.1 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | 43 | 163.3 | 132.9 | -59 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 144 | P | 40.1 | Very low | 35.3 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | cis | -133.5 | 154.4 | -23.5 | 33.7 | -16.6 | 0 | 0 | 0 | 114.9 | ||||
| 145 | C | 27.1 | Very low | 38.1 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | trans | -162 | 163.6 | 141.2 | -134.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 146 | D | 38.4 | Very low | 40.5 | Very low | 141 Ų | 141 | 130.1 Ų | 130.1 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 55.7 | 112.9 | 159.7 | -50 | -31.3 | 0 | 0 | 0 | 121 | ||||
| 147 | T | 37.9 | Very low | 43.4 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | 168.5 | 120.5 | 122.7 | -69.9 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 148 | D | 31.6 | Very low | 45.7 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | -169.3 | 159.5 | 112.6 | -142.9 | -20.5 | 0 | 0 | 0 | 112.2 | |||||
| 149 | Q | 46.4 | Very low | 48.5 | Very low | 165 Ų | 165 | 126.9 Ų | 126.9 | 77% | 0.771 | 70% | 0.7 | S | S | * | * | trans | -114.7 | 133 | 173.3 | -66 | -175.2 | 18.8 | 0 | 0 | 111.5 | ||||
| 150 | S | 33.4 | Very low | 51.2 | Low | 124 Ų | 124 | 123.9 Ų | 123.9 | 87% | 0.867 | 68% | 0.684 | S | S | * | * | trans | -142.8 | 138.4 | 150.4 | 53.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 151 | Q | 41.1 | Very low | 54.2 | Low | 134 Ų | 134 | 123.9 Ų | 123.9 | 63% | 0.626 | 67% | 0.67 | S | S | * | * | trans | -95.2 | 133.7 | -171.1 | -66.2 | 180 | -5.1 | 0 | 0 | 111.1 | K153 | Q151-K153 HydrophobicContact CB-CG 4.16Å; Q151-K153 PolarHBondContact O-N 2.99Å | ||
| 152 | D | 44 | Very low | 57 | Low | 177 Ų | 177 | 119.8 Ų | 119.8 | 95% | 0.947 | 65% | 0.653 | S | S | * | * | trans | -66.7 | 84.5 | 158.1 | -84.8 | -49.4 | 0 | 0 | 0 | 109.4 | ||||
| 153 | K | 53.8 | Low | 59.2 | Low | 160 Ų | 160 | 120.8 Ų | 120.8 | 70% | 0.696 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 130.5 | 163.1 | -68.4 | -169.3 | -179.5 | -174.9 | 0 | 108.8 | Q151 | Q151-K153 HydrophobicContact CB-CG 4.16Å; Q151-K153 PolarHBondContact O-N 2.99Å |
| 154 | P | 71.6 | Confident | 62.1 | Low | 65 Ų | 65 | 118.7 Ų | 118.7 | 42% | 0.422 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 150.7 | 171.7 | 27.7 | -33.8 | 0 | 0 | 0 | 110.2 | F158 T159 | P154-F158 HydrophobicContact CB-CD1 3.78Å; P154-F158 HydrophobicContact CB-CE1 4.34Å; P154-F158 HydrophobicContact CG-CD1 4.39Å; P154-T159 HydrophobicContact CG-CG2 3.87Å |
| 155 | P | 84.1 | Confident | 64.4 | Low | 74 Ų | 74 | 118 Ų | 118 | 48% | 0.481 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 145.7 | -178.2 | -27.2 | 35.5 | 0 | 0 | 0 | 113.5 | W157 F158 T159 | P155-W157 HydrophobicContact CB-CG 4.4Å; P155-W157 PolarHBondContact O-N 2.83Å; P155-W157 VanDerWaalsContact O-N 3.08Å; P155-F158 WeakPolarHBondContact O-CA 3.41Å; P155-F158 WeakPolarHBondContact O-CB 3.5Å; P155-F158 PolarHBondContact O-N 2.8Å; P155-T159 PolarHBondContact O-N 2.88Å |
| 156 | D | 78.6 | Confident | 67.1 | Low | 140 Ų | 140 | 121.2 Ų | 121.2 | 75% | 0.749 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.1 | -25.5 | -174.7 | -56.4 | -55.7 | 0 | 0 | 0 | 113.9 | F158 T159 S160 | D156-F158 VanDerWaalsContact C-N 3.31Å; D156-T159 WeakPolarHBondContact CA-OG1 3.46Å; D156-T159 PolarHBondContact O-OG1 3.37Å; D156-S160 VanDerWaalsContact O-CB 3.24Å; D156-S160 WeakPolarHBondContact O-CB 3.48Å; D156-S160 PolarHBondContact O-N 3.34Å |
| 157 | W | 84.6 | Confident | 69.7 | Low | 180 Ų | 180 | 120.6 Ų | 120.6 | 68% | 0.682 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.8 | -31.2 | 173.2 | 74.7 | -99.7 | 0 | 0 | 0 | 112.2 | P155 Y161 | P155-W157 HydrophobicContact CB-CG 4.4Å; P155-W157 PolarHBondContact O-N 2.83Å; P155-W157 VanDerWaalsContact O-N 3.08Å; W157-Y161 VanDerWaalsContact O-CB 3.25Å; W157-Y161 WeakPolarHBondContact O-CB 3.48Å; W157-Y161 PolarHBondContact O-N 3.48Å |
| 158 | F | 76.6 | Confident | 72.2 | Confident | 81 Ų | 81 | 120.8 Ų | 120.8 | 36% | 0.355 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -78.8 | -39 | -179.9 | 179.5 | -94.8 | 0 | 0 | 0 | 111.2 | P154 P155 D156 Y161 L162 | P154-F158 HydrophobicContact CB-CD1 3.78Å; P154-F158 HydrophobicContact CB-CE1 4.34Å; P154-F158 HydrophobicContact CG-CD1 4.39Å; P155-F158 WeakPolarHBondContact O-CA 3.41Å; P155-F158 WeakPolarHBondContact O-CB 3.5Å; P155-F158 PolarHBondContact O-N 2.8Å; D156-F158 VanDerWaalsContact C-N 3.31Å; F158-Y161 PolarHBondContact O-N 2.84Å; F158-L162 HydrophobicContact CD1-CD1 3.95Å; F158-L162 HydrophobicContact CD1-CG 4.46Å; F158-L162 HydrophobicContact CE1-CD1 3.4Å; F158-L162 HydrophobicContact CE1-CG 4.17Å; F158-L162 HydrophobicContact CZ-CD1 3.8Å; F158-L162 HydrophobicContact CZ-CG 4.3Å; F158-L162 WeakPolarHBondContact O-CG 3.47Å; F158-L162 PolarHBondContact O-N 3.43Å |
| 159 | T | 84.6 | Confident | 75 | Confident | 61 Ų | 61 | 116.6 Ų | 116.6 | 37% | 0.374 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.6 | -44.4 | 171.4 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | P154 P155 D156 Y161 L162 E163 | P154-T159 HydrophobicContact CG-CG2 3.87Å; P155-T159 PolarHBondContact O-N 2.88Å; D156-T159 WeakPolarHBondContact CA-OG1 3.46Å; D156-T159 PolarHBondContact O-OG1 3.37Å; T159-Y161 PolarHBondContact O-N 2.89Å; T159-L162 PolarHBondContact O-N 2.89Å; T159-E163 WeakPolarHBondContact O-CB 3.42Å; T159-E163 PolarHBondContact O-N 2.81Å |
| 160 | S | 81.4 | Confident | 77.3 | Confident | 62 Ų | 62 | 112.5 Ų | 112.5 | 43% | 0.434 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.1 | -37.2 | 174.4 | -175.9 | 0 | 0 | 0 | 0 | 113.1 | D156 E163 T164 | D156-S160 VanDerWaalsContact O-CB 3.24Å; D156-S160 WeakPolarHBondContact O-CB 3.48Å; D156-S160 PolarHBondContact O-N 3.34Å; S160-E163 PolarHBondContact O-N 2.78Å; S160-T164 WeakPolarHBondContact O-CG2 3.44Å; S160-T164 PolarHBondContact O-N 3.16Å; S160-T164 PolarHBondContact O-OG1 2.93Å |
| 161 | Y | 88.9 | Confident | 80 | Confident | 135 Ų | 135 | 112.4 Ų | 112.4 | 53% | 0.529 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 173.4 | 177.9 | -101.9 | 0 | 0 | 0 | 112.2 | W157 F158 T159 E163 T164 F165 | W157-Y161 VanDerWaalsContact O-CB 3.25Å; W157-Y161 WeakPolarHBondContact O-CB 3.48Å; W157-Y161 PolarHBondContact O-N 3.48Å; F158-Y161 PolarHBondContact O-N 2.84Å; T159-Y161 PolarHBondContact O-N 2.89Å; Y161-E163 VanDerWaalsContact C-N 3.32Å; Y161-E163 PolarHBondContact O-N 3.32Å; Y161-T164 PolarHBondContact O-OG1 3.26Å; Y161-T164 VanDerWaalsContact O-OG1 3.13Å; Y161-F165 VanDerWaalsContact O-CB 3.22Å; Y161-F165 WeakPolarHBondContact O-CB 3.45Å; Y161-F165 PolarHBondContact O-N 2.88Å |
| 162 | L | 87.1 | Confident | 82.6 | Confident | 84 Ų | 84 | 110.8 Ų | 110.8 | 44% | 0.44 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.4 | -34 | 175.4 | -72.2 | -179.3 | 0 | 0 | 0 | 112.6 | F158 T159 R166 | F158-L162 HydrophobicContact CD1-CD1 3.95Å; F158-L162 HydrophobicContact CD1-CG 4.46Å; F158-L162 HydrophobicContact CE1-CD1 3.4Å; F158-L162 HydrophobicContact CE1-CG 4.17Å; F158-L162 HydrophobicContact CZ-CD1 3.8Å; F158-L162 HydrophobicContact CZ-CG 4.3Å; F158-L162 WeakPolarHBondContact O-CG 3.47Å; F158-L162 PolarHBondContact O-N 3.43Å; T159-L162 PolarHBondContact O-N 2.89Å; L162-R166 WeakPolarHBondContact O-CB 3.49Å; L162-R166 PolarHBondContact O-N 3.16Å |
| 163 | E | 87.4 | Confident | 84.6 | Confident | 118 Ų | 118 | 105.7 Ų | 105.7 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.5 | -49.5 | 176.5 | -170.8 | 157 | -118.8 | 0 | 0 | 111.3 | T159 S160 Y161 F165 R166 E167 | T159-E163 WeakPolarHBondContact O-CB 3.42Å; T159-E163 PolarHBondContact O-N 2.81Å; S160-E163 PolarHBondContact O-N 2.78Å; Y161-E163 VanDerWaalsContact C-N 3.32Å; Y161-E163 PolarHBondContact O-N 3.32Å; E163-F165 PolarHBondContact O-N 3.3Å; E163-R166 WeakPolarHBondContact O-CB 3.47Å; E163-R166 PolarHBondContact O-N 3.01Å; E163-E167 WeakPolarHBondContact O-CG 3.23Å; E163-E167 PolarHBondContact O-N 3.15Å |
| 164 | T | 85.1 | Confident | 86.6 | Confident | 72 Ų | 72 | 101.2 Ų | 101.2 | 44% | 0.442 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -36.1 | 175.1 | 50.2 | 0 | 0 | 0 | 0 | 113 | S160 Y161 E167 Q168 | S160-T164 WeakPolarHBondContact O-CG2 3.44Å; S160-T164 PolarHBondContact O-N 3.16Å; S160-T164 PolarHBondContact O-OG1 2.93Å; Y161-T164 PolarHBondContact O-OG1 3.26Å; Y161-T164 VanDerWaalsContact O-OG1 3.13Å; T164-E167 PolarHBondContact O-N 3.45Å; T164-Q168 WeakPolarHBondContact O-CB 3.12Å; T164-Q168 PolarHBondContact O-N 3.09Å |
| 165 | F | 88.6 | Confident | 87.6 | Confident | 105 Ų | 105 | 103 Ų | 103 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 171.4 | 178.9 | -100 | 0 | 0 | 0 | 111.9 | Y161 E163 Q168 V169 | Y161-F165 VanDerWaalsContact O-CB 3.22Å; Y161-F165 WeakPolarHBondContact O-CB 3.45Å; Y161-F165 PolarHBondContact O-N 2.88Å; E163-F165 PolarHBondContact O-N 3.3Å; F165-Q168 PolarHBondContact O-N 3.4Å; F165-V169 HydrophobicContact CD1-CG2 4.36Å; F165-V169 HydrophobicContact CE1-CG2 3.91Å; F165-V169 HydrophobicContact CE2-CG2 4.16Å; F165-V169 HydrophobicContact CZ-CG2 3.8Å; F165-V169 WeakPolarHBondContact O-CG2 3.44Å; F165-V169 PolarHBondContact O-N 3.12Å |
| 166 | R | 84.9 | Confident | 87.8 | Confident | 180 Ų | 180 | 104.8 Ų | 104.8 | 68% | 0.679 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -45.5 | 174.7 | -180 | -174.2 | -178.4 | -160.3 | 1.3 | 111.2 | L162 E163 Q168 V169 V170 | L162-R166 WeakPolarHBondContact O-CB 3.49Å; L162-R166 PolarHBondContact O-N 3.16Å; E163-R166 WeakPolarHBondContact O-CB 3.47Å; E163-R166 PolarHBondContact O-N 3.01Å; R166-Q168 VanDerWaalsContact C-N 3.32Å; R166-Q168 PolarHBondContact O-N 3Å; R166-V169 PolarHBondContact O-N 3.39Å; R166-V170 WeakPolarHBondContact O-CB 3.46Å; R166-V170 VanDerWaalsContact O-CG2 3.25Å; R166-V170 WeakPolarHBondContact O-CG2 3.38Å; R166-V170 PolarHBondContact O-N 2.98Å |
| 167 | E | 92.3 | Very high | 88.1 | Confident | 129 Ų | 129 | 103.8 Ų | 103.8 | 60% | 0.603 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.6 | -42.1 | 173.4 | -73.4 | -175.2 | 156.3 | 0 | 0 | 111.7 | E163 T164 V170 K171 | E163-E167 WeakPolarHBondContact O-CG 3.23Å; E163-E167 PolarHBondContact O-N 3.15Å; T164-E167 PolarHBondContact O-N 3.45Å; E167-V170 PolarHBondContact O-N 3.18Å; E167-K171 WeakPolarHBondContact O-CB 3.33Å; E167-K171 PolarHBondContact O-N 3.43Å |
| 168 | Q | 90.1 | Very high | 88.3 | Confident | 138 Ų | 138 | 101.3 Ų | 101.3 | 65% | 0.645 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.3 | -42.1 | 178.2 | -173.7 | 172.6 | -3.7 | 0 | 0 | 112.4 | T164 F165 R166 K171 E172 | T164-Q168 WeakPolarHBondContact O-CB 3.12Å; T164-Q168 PolarHBondContact O-N 3.09Å; F165-Q168 PolarHBondContact O-N 3.4Å; R166-Q168 VanDerWaalsContact C-N 3.32Å; R166-Q168 PolarHBondContact O-N 3Å; Q168-K171 PolarHBondContact O-N 2.78Å; Q168-E172 PolarHBondContact O-N 2.89Å |
| 169 | V | 89.8 | Confident | 88.8 | Confident | 64 Ų | 64 | 103.2 Ų | 103.2 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.5 | -40.8 | 176 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | F165 R166 K171 E172 T173 | F165-V169 HydrophobicContact CD1-CG2 4.36Å; F165-V169 HydrophobicContact CE1-CG2 3.91Å; F165-V169 HydrophobicContact CE2-CG2 4.16Å; F165-V169 HydrophobicContact CZ-CG2 3.8Å; F165-V169 WeakPolarHBondContact O-CG2 3.44Å; F165-V169 PolarHBondContact O-N 3.12Å; R166-V169 PolarHBondContact O-N 3.39Å; V169-K171 VanDerWaalsContact C-N 3.33Å; V169-E172 PolarHBondContact O-N 3.43Å; V169-T173 WeakPolarHBondContact O-CB 3.45Å; V169-T173 WeakPolarHBondContact O-CG2 3.4Å; V169-T173 PolarHBondContact O-N 2.83Å; V169-T173 PolarHBondContact O-OG1 3.26Å |
| 170 | V | 94.8 | Very high | 88.5 | Confident | 79 Ų | 79 | 107.7 Ų | 107.7 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 173 | 168.5 | 0 | 0 | 0 | 0 | 110.4 | R166 E167 T173 V174 | R166-V170 WeakPolarHBondContact O-CB 3.46Å; R166-V170 VanDerWaalsContact O-CG2 3.25Å; R166-V170 WeakPolarHBondContact O-CG2 3.38Å; R166-V170 PolarHBondContact O-N 2.98Å; E167-V170 PolarHBondContact O-N 3.18Å; V170-T173 WeakPolarHBondContact CA-OG1 3.45Å; V170-T173 PolarHBondContact O-N 3.29Å; V170-T173 PolarHBondContact O-OG1 3.16Å; V170-T173 VanDerWaalsContact O-OG1 3.05Å; V170-V174 HydrophobicContact CG1-CG2 4.44Å; V170-V174 WeakPolarHBondContact O-CB 3.42Å; V170-V174 VanDerWaalsContact O-CG2 3.26Å; V170-V174 WeakPolarHBondContact O-CG2 3.49Å; V170-V174 PolarHBondContact O-N 2.81Å |
| 171 | K | 91.3 | Very high | 88.5 | Confident | 123 Ų | 123 | 110 Ų | 110 | 54% | 0.535 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -48.9 | 177.1 | -178 | 177.3 | 172 | -178.6 | 0 | 112.1 | E167 Q168 V169 T173 V174 E175 | E167-K171 WeakPolarHBondContact O-CB 3.33Å; E167-K171 PolarHBondContact O-N 3.43Å; Q168-K171 PolarHBondContact O-N 2.78Å; V169-K171 VanDerWaalsContact C-N 3.33Å; K171-T173 VanDerWaalsContact C-N 3.32Å; K171-T173 PolarHBondContact O-N 3.36Å; K171-V174 PolarHBondContact O-N 3.07Å; K171-E175 WeakPolarHBondContact CE-OE1 3.26Å; K171-E175 HydrophobicContact CG-CG 4.3Å; K171-E175 IonicContact NZ-OE1 3.39Å; K171-E175 PolarHBondContact NZ-OE1 3.02Å; K171-E175 WeakPolarHBondContact O-CB 3.28Å; K171-E175 WeakPolarHBondContact O-CG 3.19Å; K171-E175 PolarHBondContact O-N 2.81Å |
| 172 | E | 94.3 | Very high | 87.9 | Confident | 100 Ų | 100 | 109.2 Ų | 109.2 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 178.2 | -164.4 | -153.2 | 129.9 | 0 | 0 | 110.9 | Q168 V169 K176 | Q168-E172 PolarHBondContact O-N 2.89Å; V169-E172 PolarHBondContact O-N 3.43Å; E172-K176 WeakPolarHBondContact O-CB 3.48Å; E172-K176 PolarHBondContact O-N 2.88Å; E172-K176 IonicContact OE1-NZ 3.39Å; E172-K176 PolarHBondContact OE1-NZ 3.07Å |
| 173 | T | 87.8 | Confident | 87.2 | Confident | 69 Ų | 69 | 108.9 Ų | 108.9 | 42% | 0.423 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.6 | -36.1 | 178.6 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | V169 V170 K171 L177 | V169-T173 WeakPolarHBondContact O-CB 3.45Å; V169-T173 WeakPolarHBondContact O-CG2 3.4Å; V169-T173 PolarHBondContact O-N 2.83Å; V169-T173 PolarHBondContact O-OG1 3.26Å; V170-T173 WeakPolarHBondContact CA-OG1 3.45Å; V170-T173 PolarHBondContact O-N 3.29Å; V170-T173 PolarHBondContact O-OG1 3.16Å; V170-T173 VanDerWaalsContact O-OG1 3.05Å; K171-T173 VanDerWaalsContact C-N 3.32Å; K171-T173 PolarHBondContact O-N 3.36Å; T173-L177 VanDerWaalsContact O-CB 3.28Å; T173-L177 WeakPolarHBondContact O-CB 3.31Å; T173-L177 WeakPolarHBondContact O-CD1 3.46Å; T173-L177 VanDerWaalsContact O-CG 3.25Å; T173-L177 WeakPolarHBondContact O-CG 3.32Å; T173-L177 PolarHBondContact O-N 2.96Å |
| 174 | V | 94.8 | Very high | 86.4 | Confident | 67 Ų | 67 | 110.5 Ų | 110.5 | 41% | 0.406 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.4 | -51.2 | 172 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | V170 K171 K176 L177 E178 | V170-V174 HydrophobicContact CG1-CG2 4.44Å; V170-V174 WeakPolarHBondContact O-CB 3.42Å; V170-V174 VanDerWaalsContact O-CG2 3.26Å; V170-V174 WeakPolarHBondContact O-CG2 3.49Å; V170-V174 PolarHBondContact O-N 2.81Å; K171-V174 PolarHBondContact O-N 3.07Å; V174-K176 PolarHBondContact O-N 3.05Å; V174-L177 CarbonylContact O-C 3.58Å; V174-L177 PolarHBondContact O-N 3.33Å; V174-L177 VanDerWaalsContact O-N 3.09Å; V174-E178 HydrophobicContact CG1-CG 4.36Å; V174-E178 WeakPolarHBondContact O-CG 3.26Å; V174-E178 PolarHBondContact O-N 3.47Å |
| 175 | E | 93.1 | Very high | 85.2 | Confident | 102 Ų | 102 | 110.2 Ų | 110.2 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.2 | -37 | 178.2 | -73.1 | 179.6 | 160 | 0 | 0 | 111.6 | K171 Q179 | K171-E175 WeakPolarHBondContact CE-OE1 3.26Å; K171-E175 HydrophobicContact CG-CG 4.3Å; K171-E175 IonicContact NZ-OE1 3.39Å; K171-E175 PolarHBondContact NZ-OE1 3.02Å; K171-E175 WeakPolarHBondContact O-CB 3.28Å; K171-E175 WeakPolarHBondContact O-CG 3.19Å; K171-E175 PolarHBondContact O-N 2.81Å; E175-Q179 VanDerWaalsContact O-CB 3.26Å; E175-Q179 WeakPolarHBondContact O-CB 3.48Å; E175-Q179 PolarHBondContact O-N 3.46Å |
| 176 | K | 86.9 | Confident | 83.3 | Confident | 111 Ų | 111 | 110 Ų | 110 | 48% | 0.483 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.6 | -35.1 | 176.2 | -169.7 | 178.6 | -122.5 | 159 | 0 | 112.5 | E172 V174 R180 | E172-K176 WeakPolarHBondContact O-CB 3.48Å; E172-K176 PolarHBondContact O-N 2.88Å; E172-K176 IonicContact OE1-NZ 3.39Å; E172-K176 PolarHBondContact OE1-NZ 3.07Å; V174-K176 PolarHBondContact O-N 3.05Å; K176-R180 WeakPolarHBondContact O-CG 3.34Å; K176-R180 PolarHBondContact O-N 3.08Å |
| 177 | L | 85.7 | Confident | 81.5 | Confident | 120 Ų | 120 | 108.5 Ų | 108.5 | 63% | 0.628 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.5 | -46 | 171.1 | -82.6 | 165.6 | 0 | 0 | 0 | 111.3 | T173 V174 Q179 R180 L181 | T173-L177 VanDerWaalsContact O-CB 3.28Å; T173-L177 WeakPolarHBondContact O-CB 3.31Å; T173-L177 WeakPolarHBondContact O-CD1 3.46Å; T173-L177 VanDerWaalsContact O-CG 3.25Å; T173-L177 WeakPolarHBondContact O-CG 3.32Å; T173-L177 PolarHBondContact O-N 2.96Å; V174-L177 CarbonylContact O-C 3.58Å; V174-L177 PolarHBondContact O-N 3.33Å; V174-L177 VanDerWaalsContact O-N 3.09Å; L177-Q179 PolarHBondContact O-N 2.87Å; L177-R180 PolarHBondContact O-N 3.42Å; L177-L181 WeakPolarHBondContact O-CB 3.26Å; L177-L181 PolarHBondContact O-N 3.35Å |
| 178 | E | 88.1 | Confident | 79.2 | Confident | 127 Ų | 127 | 109.8 Ų | 109.8 | 59% | 0.593 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.7 | -44.4 | 174.1 | -73.3 | -172.6 | 165.7 | 0 | 0 | 111.2 | V174 R180 L181 Q182 | V174-E178 HydrophobicContact CG1-CG 4.36Å; V174-E178 WeakPolarHBondContact O-CG 3.26Å; V174-E178 PolarHBondContact O-N 3.47Å; E178-R180 PolarHBondContact O-N 2.89Å; E178-L181 PolarHBondContact O-N 3.37Å; E178-Q182 VanDerWaalsContact O-CB 3.26Å; E178-Q182 WeakPolarHBondContact O-CB 3.42Å; E178-Q182 PolarHBondContact O-N 3.44Å |
| 179 | Q | 87.5 | Confident | 76.7 | Confident | 122 Ų | 122 | 110.9 Ų | 110.9 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.5 | -44.6 | 174.5 | -174 | 176.6 | 14.5 | 0 | 0 | 111.5 | E175 L177 Q182 E183 | E175-Q179 VanDerWaalsContact O-CB 3.26Å; E175-Q179 WeakPolarHBondContact O-CB 3.48Å; E175-Q179 PolarHBondContact O-N 3.46Å; L177-Q179 PolarHBondContact O-N 2.87Å; Q179-Q182 PolarHBondContact O-N 3.03Å; Q179-E183 WeakPolarHBondContact O-CB 3.3Å; Q179-E183 VanDerWaalsContact O-CG 3.31Å; Q179-E183 WeakPolarHBondContact O-CG 3.43Å; Q179-E183 PolarHBondContact O-N 3.35Å |
| 180 | R | 79.6 | Confident | 73.7 | Confident | 154 Ų | 154 | 113.6 Ų | 113.6 | 58% | 0.581 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65 | -38.9 | 175 | -74.5 | -54 | -165.4 | -155.7 | -2.5 | 112.9 | K176 L177 E178 E183 K184 | K176-R180 WeakPolarHBondContact O-CG 3.34Å; K176-R180 PolarHBondContact O-N 3.08Å; L177-R180 PolarHBondContact O-N 3.42Å; E178-R180 PolarHBondContact O-N 2.89Å; R180-E183 WeakPolarHBondContact CD-OE2 3.39Å; R180-E183 IonicContact CZ-OE2 3.34Å; R180-E183 IonicContact NE-OE2 2.64Å; R180-E183 IonicContact NH1-OE1 3.48Å; R180-E183 PolarHBondContact NH1-OE1 3.32Å; R180-E183 IonicContact NH1-OE2 2.67Å; R180-E183 PolarHBondContact NH1-OE2 3.47Å; R180-E183 PolarHBondContact O-N 2.73Å; R180-K184 WeakPolarHBondContact O-CB 3.4Å; R180-K184 WeakPolarHBondContact O-CG 3.45Å; R180-K184 PolarHBondContact O-N 2.79Å |
| 181 | L | 79.5 | Confident | 71.6 | Confident | 110 Ų | 110 | 115.5 Ų | 115.5 | 58% | 0.576 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68 | -39.9 | 178.2 | -145.3 | 166.9 | 0 | 0 | 0 | 110.1 | L177 E178 K184 L185 | L177-L181 WeakPolarHBondContact O-CB 3.26Å; L177-L181 PolarHBondContact O-N 3.35Å; E178-L181 PolarHBondContact O-N 3.37Å; L181-K184 PolarHBondContact O-N 3.37Å; L181-L185 HydrophobicContact CD2-CD1 3.54Å; L181-L185 HydrophobicContact CD2-CG 3.94Å; L181-L185 WeakPolarHBondContact O-CB 3.33Å; L181-L185 WeakPolarHBondContact O-CG 3.34Å; L181-L185 PolarHBondContact O-N 3.24Å |
| 182 | Q | 76.2 | Confident | 68.6 | Low | 120 Ų | 120 | 118.3 Ų | 118.3 | 56% | 0.561 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.2 | -41.3 | 175.4 | -161.7 | 75.8 | -39.6 | 0 | 0 | 112.2 | E178 Q179 K184 L185 V186 | E178-Q182 VanDerWaalsContact O-CB 3.26Å; E178-Q182 WeakPolarHBondContact O-CB 3.42Å; E178-Q182 PolarHBondContact O-N 3.44Å; Q179-Q182 PolarHBondContact O-N 3.03Å; Q182-K184 VanDerWaalsContact C-N 3.3Å; Q182-K184 PolarHBondContact O-N 2.93Å; Q182-L185 PolarHBondContact O-N 3.39Å; Q182-V186 WeakPolarHBondContact O-CB 3.39Å; Q182-V186 VanDerWaalsContact O-CG2 3.27Å; Q182-V186 WeakPolarHBondContact O-CG2 3.36Å; Q182-V186 PolarHBondContact O-N 3.33Å |
| 183 | E | 74.1 | Confident | 65.2 | Low | 77 Ų | 77 | 118.8 Ų | 118.8 | 36% | 0.36 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -57.1 | -43 | 170.4 | -78.5 | 174.4 | 177.7 | 0 | 0 | 111.7 | Q179 R180 L187 | Q179-E183 WeakPolarHBondContact O-CB 3.3Å; Q179-E183 VanDerWaalsContact O-CG 3.31Å; Q179-E183 WeakPolarHBondContact O-CG 3.43Å; Q179-E183 PolarHBondContact O-N 3.35Å; R180-E183 WeakPolarHBondContact CD-OE2 3.39Å; R180-E183 IonicContact CZ-OE2 3.34Å; R180-E183 IonicContact NE-OE2 2.64Å; R180-E183 IonicContact NH1-OE1 3.48Å; R180-E183 PolarHBondContact NH1-OE1 3.32Å; R180-E183 IonicContact NH1-OE2 2.67Å; R180-E183 PolarHBondContact NH1-OE2 3.47Å; R180-E183 PolarHBondContact O-N 2.73Å; E183-L187 WeakPolarHBondContact O-CB 3.48Å; E183-L187 PolarHBondContact O-N 3Å |
| 184 | K | 70.6 | Confident | 62.4 | Low | 151 Ų | 151 | 121.1 Ų | 121.1 | 66% | 0.657 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.9 | -40.4 | 177 | -68.5 | -73.9 | -180 | 177 | 0 | 112.3 | R180 L181 Q182 L187 Q188 | R180-K184 WeakPolarHBondContact O-CB 3.4Å; R180-K184 WeakPolarHBondContact O-CG 3.45Å; R180-K184 PolarHBondContact O-N 2.79Å; L181-K184 PolarHBondContact O-N 3.37Å; Q182-K184 VanDerWaalsContact C-N 3.3Å; Q182-K184 PolarHBondContact O-N 2.93Å; K184-L187 PolarHBondContact O-N 3.49Å; K184-Q188 PolarHBondContact O-N 2.97Å; K184-Q188 VanDerWaalsContact O-N 3.17Å |
| 185 | L | 59.3 | Low | 59.4 | Low | 67 Ų | 67 | 123.2 Ų | 123.2 | 35% | 0.351 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -67.4 | -36.8 | 175.9 | -77.6 | 167.6 | 0 | 0 | 0 | 112.8 | L181 Q182 Q188 K189 | L181-L185 HydrophobicContact CD2-CD1 3.54Å; L181-L185 HydrophobicContact CD2-CG 3.94Å; L181-L185 WeakPolarHBondContact O-CB 3.33Å; L181-L185 WeakPolarHBondContact O-CG 3.34Å; L181-L185 PolarHBondContact O-N 3.24Å; Q182-L185 PolarHBondContact O-N 3.39Å; L185-Q188 PolarHBondContact O-N 3.26Å; L185-K189 PolarHBondContact O-N 2.99Å |
| 186 | V | 47.8 | Very low | 57.1 | Low | 100 Ų | 100 | 123.6 Ų | 123.6 | 61% | 0.606 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.4 | -41.9 | 174.6 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | Q182 Q188 K189 | Q182-V186 WeakPolarHBondContact O-CB 3.39Å; Q182-V186 VanDerWaalsContact O-CG2 3.27Å; Q182-V186 WeakPolarHBondContact O-CG2 3.36Å; Q182-V186 PolarHBondContact O-N 3.33Å; V186-Q188 PolarHBondContact O-N 2.94Å; V186-K189 PolarHBondContact O-N 2.91Å; V186-K189 VanDerWaalsContact O-N 3.15Å |
| 187 | L | 47.7 | Very low | 54.3 | Low | 149 Ų | 149 | 123 Ų | 123 | 78% | 0.78 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -61.6 | -19.8 | 171.2 | -85.7 | 165.3 | 0 | 0 | 0 | 113.6 | E183 K184 | E183-L187 WeakPolarHBondContact O-CB 3.48Å; E183-L187 PolarHBondContact O-N 3Å; K184-L187 PolarHBondContact O-N 3.49Å |
| 188 | Q | 44.7 | Very low | 51.6 | Low | 155 Ų | 155 | 125.8 Ų | 125.8 | 72% | 0.724 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -1.2 | 178.2 | -142.2 | 178.1 | 28.5 | 0 | 0 | 113.9 | K184 L185 V186 | K184-Q188 PolarHBondContact O-N 2.97Å; K184-Q188 VanDerWaalsContact O-N 3.17Å; L185-Q188 PolarHBondContact O-N 3.26Å; V186-Q188 PolarHBondContact O-N 2.94Å |
| 189 | K | 38.2 | Very low | 48.7 | Very low | 161 Ų | 161 | 125.7 Ų | 125.7 | 70% | 0.7 | 69% | 0.685 | S | S | * | * | trans | -138.8 | 98.6 | -176.6 | -71 | -175.3 | -179.9 | 174.2 | 0 | 113.9 | L185 V186 | L185-K189 PolarHBondContact O-N 2.99Å; V186-K189 PolarHBondContact O-N 2.91Å; V186-K189 VanDerWaalsContact O-N 3.15Å | ||
| 190 | S | 26.4 | Very low | 45.8 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 85% | 0.853 | 70% | 0.695 | S | S | * | * | trans | -148.5 | 153.2 | 155 | -88.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 191 | P | 49.8 | Very low | 43.2 | Very low | 119 Ų | 119 | 126 Ų | 126 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | -114.8 | 156.7 | -122.8 | 38.5 | -35.3 | 0 | 0 | 0 | 116.1 | |||||
| 192 | L | 28.5 | Very low | 41.5 | Very low | 181 Ų | 181 | 126 Ų | 126 | 95% | 0.948 | 71% | 0.714 | S | S | * | * | trans | -150.6 | 162 | 139.9 | -105.9 | 168.1 | 0 | 0 | 0 | 109.8 | ||||
| 193 | C | 22.8 | Very low | 39.1 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 75% | 0.75 | 73% | 0.729 | S | S | * | * | trans | -102.2 | 165.8 | -142.4 | -158.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 194 | S | 29.8 | Very low | 37.1 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | 77.8 | 159.9 | 153.9 | 42.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 195 | S | 30.5 | Very low | 35.3 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -147.1 | -171.8 | -159 | 64.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 196 | P | 45.1 | Very low | 34.1 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | cis | -137.1 | -168.2 | 0 | 41 | -21 | 0 | 0 | 0 | 115.9 | ||||
| 197 | S | 29.1 | Very low | 33.3 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | 102.5 | 105.9 | 150.6 | -64.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 198 | E | 29 | Very low | 32.3 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | 82.4 | 131.9 | 123.3 | -76.2 | -170.8 | 148.8 | 0 | 0 | 124.5 | |||||
| 199 | V | 26.4 | Very low | 31.8 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | 89 | 112.6 | 144.8 | 171 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 200 | S | 27.7 | Very low | 31.5 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | 80.2 | 147.3 | 148.2 | -70.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 201 | M | 25.1 | Very low | 31.9 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -134.1 | 172.3 | 170.4 | -70.4 | -96.3 | 81.2 | 0 | 0 | 107.1 | ||||
| 202 | P | 43.4 | Very low | 31.5 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | cis | -124.1 | 176.7 | -35.2 | 36.5 | -22.2 | 0 | 0 | 0 | 111.5 | ||||
| 203 | V | 26.1 | Very low | 32.5 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -136.4 | 146.7 | 162.7 | 176.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 204 | S | 30.4 | Very low | 34.1 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -47.3 | 146.8 | -166.6 | -44.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 205 | E | 33 | Very low | 36 | Very low | 192 Ų | 192 | 141 Ų | 141 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | trans | -75.4 | 139.1 | 147.5 | -61.7 | 177.5 | 124.6 | 0 | 0 | 109.8 | ||||
| 206 | E | 33.8 | Very low | 38.3 | Very low | 187 Ų | 187 | 138 Ų | 138 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | -159.4 | 150.3 | 142.1 | -139.4 | 173.9 | -172.2 | 0 | 0 | 111.6 | ||||
| 207 | T | 32 | Very low | 39.8 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | trans | 87.5 | 141.4 | 171.8 | -18.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 208 | Q | 26.1 | Very low | 42.2 | Very low | 165 Ų | 165 | 135.9 Ų | 135.9 | 77% | 0.771 | 71% | 0.708 | S | S | * | * | trans | 93 | 72.5 | 161.6 | -53.6 | -164.8 | 3.8 | 0 | 0 | 119.5 | V210 | Q208-V210 PolarHBondContact O-N 3.33Å; Q208-V210 VanDerWaalsContact O-N 3.14Å | ||
| 209 | F | 34.1 | Very low | 44.8 | Very low | 219 Ų | 219 | 130.3 Ų | 130.3 | 96% | 0.961 | 68% | 0.684 | S | S | * | * | trans | -49.8 | 101 | 136.6 | -115.8 | -101.8 | 0 | 0 | 0 | 111 | ||||
| 210 | V | 31.3 | Very low | 47.9 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 66% | 0.661 | 67% | 0.668 | S | S | * | * | trans | -148.7 | 100.5 | 156.3 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | Q208 | Q208-V210 PolarHBondContact O-N 3.33Å; Q208-V210 VanDerWaalsContact O-N 3.14Å | ||
| 211 | Q | 35.9 | Very low | 50.9 | Low | 167 Ų | 167 | 121.7 Ų | 121.7 | 78% | 0.78 | 63% | 0.632 | S | S | * | * | trans | 45.2 | 94.2 | 139.4 | -157.7 | 171.9 | 19.3 | 0 | 0 | 119.7 | N213 | Q211-N213 PolarHBondContact O-N 3.16Å; Q211-N213 VanDerWaalsContact O-N 3.13Å | ||
| 212 | E | 40.8 | Very low | 54 | Low | 188 Ų | 188 | 116 Ų | 116 | 88% | 0.879 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -64.1 | 106.4 | 162.9 | -65.5 | -173.5 | 115.8 | 0 | 0 | 111.7 | ||
| 213 | N | 50.1 | Low | 56 | Low | 96 Ų | 96 | 114.8 Ų | 114.8 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | trans | -172.6 | 26 | 152.9 | -107.2 | -84 | 0 | 0 | 0 | 113.3 | Q211 F215 | Q211-N213 PolarHBondContact O-N 3.16Å; Q211-N213 VanDerWaalsContact O-N 3.13Å; N213-F215 WeakPolarHBondContact O-CD2 3.34Å; N213-F215 PolarHBondContact O-N 2.86Å; N213-F215 WeakPolarHBondContact OD1-CE2 3.44Å | ||
| 214 | Q | 56.8 | Low | 59 | Low | 152 Ų | 152 | 109.9 Ų | 109.9 | 71% | 0.71 | 57% | 0.566 | S | S | * | * | trans | -78.9 | 90.4 | -177.3 | -75 | -164.7 | 12.1 | 0 | 0 | 113.5 | I229 | Q214-I229 HydrophobicContact CB-CG2 3.77Å; Q214-I229 HydrophobicContact CG-CG2 4.14Å | ||
| 215 | F | 69.3 | Low | 61.7 | Low | 85 Ų | 85 | 112.4 Ų | 112.4 | 37% | 0.373 | 57% | 0.565 | S | S | . | * | trans | -80.2 | 127 | 170 | -62.4 | -78.1 | 0 | 0 | 0 | 111.6 | N213 I229 G230 R265 | N213-F215 WeakPolarHBondContact O-CD2 3.34Å; N213-F215 PolarHBondContact O-N 2.86Å; N213-F215 WeakPolarHBondContact OD1-CE2 3.44Å; F215-I229 CarbonylContact O-C 3.48Å; F215-I229 WeakPolarHBondContact O-CA 3.5Å; F215-G230 PolarHBondContact O-N 2.94Å; F215-R265 HydrophobicContact CD2-CG 4.39Å; F215-R265 HydrophobicContact CE2-CG 4.18Å | ||
| 216 | S | 77.9 | Confident | 64.3 | Low | 48 Ų | 48 | 110.3 Ų | 110.3 | 34% | 0.336 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.1 | 170.1 | 157 | 0 | 0 | 0 | 0 | 110.2 | H218 | S216-H218 PolarHBondContact O-CD2 2.8Å; S216-H218 PolarHBondContact OG-CD2 3.47Å; S216-H218 PolarHBondContact OG-NE2 2.82Å |
| 217 | W | 77.8 | Confident | 66.9 | Low | 24 Ų | 24 | 107.8 Ų | 107.8 | 9% | 0.091 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -7.2 | -179.2 | -75.1 | 85.3 | 0 | 0 | 0 | 114.6 | I219 I228 G230 R232 L263 R265 P266 | W217-I219 PolarHBondContact O-N 2.84Å; W217-I228 HydrophobicContact CB-CB 4.23Å; W217-I228 HydrophobicContact CG-CG2 4.36Å; W217-I228 PolarHBondContact N-O 3.16Å; W217-G230 PolarHBondContact NE1-O 3.45Å; W217-R232 HydrophobicContact CD2-CB 3.71Å; W217-R232 HydrophobicContact CD2-CG 4.33Å; W217-R232 HydrophobicContact CE3-CB 4.25Å; W217-R232 HydrophobicContact CE3-CG 4.48Å; W217-R232 HydrophobicContact CG-CB 4.01Å; W217-R232 HydrophobicContact CH2-CB 4.38Å; W217-R232 HydrophobicContact CZ2-CB 3.91Å; W217-L263 HydrophobicContact CH2-CB 3.64Å; W217-L263 HydrophobicContact CH2-CD1 4.38Å; W217-L263 HydrophobicContact CZ2-CB 4Å; W217-L263 WeakPolarHBondContact CZ2-O 3.35Å; W217-L263 HydrophobicContact CZ3-CB 4.5Å; W217-L263 HydrophobicContact CZ3-CD1 4.5Å; W217-R265 VanDerWaalsContact CH2-O 3.25Å; W217-R265 WeakPolarHBondContact CH2-O 3.48Å; W217-R265 VanDerWaalsContact CZ2-C 3.48Å; W217-P266 HydrophobicContact CD2-CG 4.22Å; W217-P266 HydrophobicContact CE3-CB 4.41Å; W217-P266 HydrophobicContact CE3-CG 4.09Å; W217-P266 VanDerWaalsContact CH2-CA 3.5Å; W217-P266 HydrophobicContact CH2-CB 4.35Å; W217-P266 HydrophobicContact CH2-CG 4.19Å; W217-P266 HydrophobicContact CZ2-CG 4.26Å; W217-P266 HydrophobicContact CZ3-CB 4.09Å; W217-P266 HydrophobicContact CZ3-CG 4.1Å |
| 218 | H | 78.9 | Confident | 69.6 | Low | 140 Ų | 140 | 101.7 Ų | 101.7 | 65% | 0.648 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 58.8 | -2.9 | -173 | -68.9 | -119.6 | 0 | 0 | 0 | 115.7 | S216 R227 | S216-H218 PolarHBondContact O-CD2 2.8Å; S216-H218 PolarHBondContact OG-CD2 3.47Å; S216-H218 PolarHBondContact OG-NE2 2.82Å; H218-R227 PolarHBondContact ND1-NH1 2.97Å |
| 219 | I | 84.7 | Confident | 72.3 | Confident | 62 Ų | 62 | 97.9 Ų | 97.9 | 32% | 0.318 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 147.6 | 177.3 | -67.2 | 164.8 | 0 | 0 | 0 | 109.6 | W217 R227 I228 N242 | W217-I219 PolarHBondContact O-N 2.84Å; I219-R227 WeakPolarHBondContact O-CA 3.49Å; I219-I228 HydrophobicContact CG2-CD1 4.45Å; I219-I228 PolarHBondContact O-N 3.27Å; I219-N242 HydrophobicContact CG2-CB 4.23Å |
| 220 | A | 90.3 | Very high | 74.8 | Confident | 54 Ų | 54 | 88.3 Ų | 88.3 | 45% | 0.446 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 147.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | K226 | A220-K226 CarbonylContact C-O 3.51Å; A220-K226 WeakPolarHBondContact CA-O 3.15Å |
| 221 | C | 91.1 | Very high | 77.5 | Confident | 2 Ų | 2 | 84 Ų | 84 | 1% | 0.014 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 128.7 | 169.9 | 174 | 0 | 0 | 0 | 0 | 110.3 | Q223 C224 Q225 K226 I228 N242 C247 | C221-Q223 PolarHBondContact O-N 3.04Å; C221-Q223 PolarHBondContact SG-N 3.01Å; C221-C224 VanDerWaalsContact CB-SG 3.55Å; C221-C224 PolarHBondContact SG-N 2.84Å; C221-C224 VanDerWaalsContact SG-SG 3.6Å; C221-Q225 WeakPolarHBondContact O-CA 3.42Å; C221-Q225 PolarHBondContact O-N 2.95Å; C221-K226 PolarHBondContact N-O 2.83Å; C221-I228 HydrophobicContact CB-CD1 4.45Å; C221-I228 HydrophobicContact CB-CG1 4.04Å; C221-N242 CarbonylContact C-O 3.48Å; C221-N242 WeakPolarHBondContact CA-O 3.47Å; C221-C247 VanDerWaalsContact SG-SG 3.67Å |
| 222 | S | 90.3 | Very high | 80.1 | Confident | 51 Ų | 51 | 77.4 Ų | 77.4 | 36% | 0.357 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -32.5 | 178.6 | -56.7 | 0 | 0 | 0 | 0 | 112.8 | N242 | S222-N242 PolarHBondContact N-O 3.07Å; S222-N242 PolarHBondContact OG-N 2.81Å; S222-N242 VanDerWaalsContact OG-N 3.08Å; S222-N242 PolarHBondContact OG-O 2.68Å |
| 223 | Q | 86.4 | Confident | 82.4 | Confident | 85 Ų | 85 | 68.8 Ų | 68.8 | 40% | 0.397 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -52.4 | -178.1 | -173.1 | 70 | -18 | 0 | 0 | 112.5 | C221 I243 C247 P251 | C221-Q223 PolarHBondContact O-N 3.04Å; C221-Q223 PolarHBondContact SG-N 3.01Å; Q223-I243 HydrophobicContact CB-CG2 4.37Å; Q223-C247 HydrophobicContact CB-CB 4.29Å; Q223-P251 PolarHBondContact NE2-O 3.49Å |
| 224 | C | 88.5 | Confident | 84.3 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 29% | 0.291 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -1.4 | -173.8 | 77.2 | 0 | 0 | 0 | 0 | 115.2 | C221 K226 | C221-C224 VanDerWaalsContact CB-SG 3.55Å; C221-C224 PolarHBondContact SG-N 2.84Å; C221-C224 VanDerWaalsContact SG-SG 3.6Å; C224-K226 PolarHBondContact O-N 3.03Å |
| 225 | Q | 87.6 | Confident | 85.9 | Confident | 164 Ų | 164 | 59.3 Ų | 59.3 | 77% | 0.766 | 30% | 0.299 | S | S | * | . | trans | 58.4 | -6.1 | 179.9 | -56.1 | -176.6 | 11.9 | 0 | 0 | 116.8 | C221 | C221-Q225 WeakPolarHBondContact O-CA 3.42Å; C221-Q225 PolarHBondContact O-N 2.95Å | ||
| 226 | K | 87.3 | Confident | 86.7 | Confident | 148 Ų | 148 | 58.1 Ų | 58.1 | 64% | 0.643 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -64.9 | 152.1 | 170.5 | -59 | 175.3 | -173.8 | 173.4 | 0 | 110.9 | A220 C221 C224 | A220-K226 CarbonylContact C-O 3.51Å; A220-K226 WeakPolarHBondContact CA-O 3.15Å; C221-K226 PolarHBondContact N-O 2.83Å; C224-K226 PolarHBondContact O-N 3.03Å |
| 227 | R | 88.8 | Confident | 87 | Confident | 134 Ų | 134 | 61.2 Ų | 61.2 | 51% | 0.506 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 133.2 | 170.9 | -177.1 | 173.4 | -64.1 | -142.5 | -2.9 | 110.1 | H218 I219 I229 | H218-R227 PolarHBondContact ND1-NH1 2.97Å; I219-R227 WeakPolarHBondContact O-CA 3.49Å; R227-I229 PolarHBondContact O-N 3.35Å |
| 228 | I | 87.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 125.1 | 176.8 | -54.1 | 175.5 | 0 | 0 | 0 | 109.1 | W217 I219 C221 V231 R232 N242 C244 | W217-I228 HydrophobicContact CB-CB 4.23Å; W217-I228 HydrophobicContact CG-CG2 4.36Å; W217-I228 PolarHBondContact N-O 3.16Å; I219-I228 HydrophobicContact CG2-CD1 4.45Å; I219-I228 PolarHBondContact O-N 3.27Å; C221-I228 HydrophobicContact CB-CD1 4.45Å; C221-I228 HydrophobicContact CB-CG1 4.04Å; I228-V231 WeakPolarHBondContact CG2-O 3.33Å; I228-R232 HydrophobicContact CD1-CG 4.01Å; I228-R232 HydrophobicContact CG2-CB 3.89Å; I228-N242 HydrophobicContact CD1-CB 4.06Å; I228-C244 HydrophobicContact CB-CB 4.48Å; I228-C244 HydrophobicContact CG1-CB 4.18Å; I228-C244 HydrophobicContact CG2-CB 4.04Å |
| 229 | I | 84.1 | Confident | 87.3 | Confident | 85 Ų | 85 | 59.8 Ų | 59.8 | 44% | 0.436 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 139.4 | 176.9 | -58.4 | 174.2 | 0 | 0 | 0 | 106.7 | Q214 F215 R227 | Q214-I229 HydrophobicContact CB-CG2 3.77Å; Q214-I229 HydrophobicContact CG-CG2 4.14Å; F215-I229 CarbonylContact O-C 3.48Å; F215-I229 WeakPolarHBondContact O-CA 3.5Å; R227-I229 PolarHBondContact O-N 3.35Å |
| 230 | G | 85.7 | Confident | 87.2 | Confident | 18 Ų | 18 | 61.7 Ų | 61.7 | 19% | 0.186 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 83.5 | -121.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111 | F215 W217 | F215-G230 PolarHBondContact O-N 2.94Å; W217-G230 PolarHBondContact NE1-O 3.45Å |
| 231 | V | 87.4 | Confident | 87.1 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 11% | 0.109 | 32% | 0.323 | C | S | . | . | trans | -90.5 | 136 | -177.8 | -170.7 | 0 | 0 | 0 | 0 | 112 | I228 Y233 E245 K262 L263 R264 | I228-V231 WeakPolarHBondContact CG2-O 3.33Å; V231-Y233 HydrophobicContact CB-CE2 4.5Å; V231-Y233 HydrophobicContact CG1-CD2 4.32Å; V231-Y233 HydrophobicContact CG1-CE2 3.99Å; V231-E245 HydrophobicContact CB-CB 4.49Å; V231-E245 WeakPolarHBondContact CB-OE2 3.25Å; V231-E245 VanDerWaalsContact CG2-OE2 3.26Å; V231-E245 WeakPolarHBondContact CG2-OE2 3.45Å; V231-K262 HydrophobicContact CG1-CD 4.25Å; V231-K262 HydrophobicContact CG1-CG 3.52Å; V231-L263 WeakPolarHBondContact CG1-O 3.28Å; V231-R264 HydrophobicContact CG1-CG 4.18Å; V231-R264 HydrophobicContact CG2-CG 4.23Å | ||
| 232 | R | 90.3 | Very high | 87.1 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 11% | 0.106 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132.7 | 173.5 | 172.9 | -179.7 | 172.1 | -143.7 | -3.6 | 109.6 | W217 I228 Q234 N242 L263 | W217-R232 HydrophobicContact CD2-CB 3.71Å; W217-R232 HydrophobicContact CD2-CG 4.33Å; W217-R232 HydrophobicContact CE3-CB 4.25Å; W217-R232 HydrophobicContact CE3-CG 4.48Å; W217-R232 HydrophobicContact CG-CB 4.01Å; W217-R232 HydrophobicContact CH2-CB 4.38Å; W217-R232 HydrophobicContact CZ2-CB 3.91Å; I228-R232 HydrophobicContact CD1-CG 4.01Å; I228-R232 HydrophobicContact CG2-CB 3.89Å; R232-Q234 VanDerWaalsContact CZ-OE1 3.31Å; R232-N242 PolarHBondContact NE-OD1 2.89Å; R232-N242 PolarHBondContact NH2-OD1 3.12Å; R232-L263 HydrophobicContact CB-CB 4.41Å; R232-L263 PolarHBondContact N-O 3.16Å; R232-L263 WeakPolarHBondContact O-CA 3.42Å; R232-L263 WeakPolarHBondContact O-CB 3.48Å; R232-L263 PolarHBondContact O-N 2.82Å |
| 233 | Y | 90.2 | Very high | 87.2 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 3% | 0.027 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.3 | 167.2 | -67.8 | -107 | 0 | 0 | 0 | 108.2 | V231 N242 I243 E245 E248 L260 L261 K262 | V231-Y233 HydrophobicContact CB-CE2 4.5Å; V231-Y233 HydrophobicContact CG1-CD2 4.32Å; V231-Y233 HydrophobicContact CG1-CE2 3.99Å; Y233-N242 CarbonylContact O-C 3.51Å; Y233-N242 VanDerWaalsContact O-CA 3.26Å; Y233-N242 WeakPolarHBondContact O-CA 3.36Å; Y233-I243 PolarHBondContact N-O 2.89Å; Y233-I243 PolarHBondContact O-N 3.09Å; Y233-E245 HydrophobicContact CE2-CB 4.22Å; Y233-E245 HydrophobicContact CE2-CG 4.24Å; Y233-E248 HydrophobicContact CD1-CB 4.25Å; Y233-E248 HydrophobicContact CD1-CG 3.75Å; Y233-E248 HydrophobicContact CD2-CB 3.99Å; Y233-E248 HydrophobicContact CD2-CG 4.38Å; Y233-E248 HydrophobicContact CE1-CB 4.13Å; Y233-E248 HydrophobicContact CE1-CG 3.49Å; Y233-E248 VanDerWaalsContact CE1-CG 3.49Å; Y233-E248 WeakPolarHBondContact CE1-OE1 3.41Å; Y233-E248 HydrophobicContact CE2-CB 3.92Å; Y233-E248 HydrophobicContact CE2-CG 4.21Å; Y233-E248 HydrophobicContact CG-CB 4.13Å; Y233-E248 HydrophobicContact CG-CG 4.15Å; Y233-E248 PolarHBondContact OH-OE1 3.13Å; Y233-E248 PolarHBondContact OH-OE2 2.95Å; Y233-L260 HydrophobicContact CD1-CB 4.25Å; Y233-L261 WeakPolarHBondContact CA-O 3.45Å; Y233-K262 HydrophobicContact CD1-CB 4.02Å; Y233-K262 HydrophobicContact CD1-CG 4.22Å; Y233-K262 HydrophobicContact CE1-CB 3.76Å; Y233-K262 HydrophobicContact CE1-CD 3.72Å; Y233-K262 HydrophobicContact CE1-CG 3.68Å; Y233-K262 HydrophobicContact CE2-CD 4.26Å; Y233-K262 HydrophobicContact CE2-CG 4.13Å; Y233-K262 VanDerWaalsContact CZ-CD 3.48Å; Y233-K262 VanDerWaalsContact OH-CD 3.31Å; Y233-K262 WeakPolarHBondContact OH-CD 3.45Å; Y233-K262 WeakPolarHBondContact OH-CE 3.33Å; Y233-K262 PolarHBondContact OH-NZ 3.32Å |
| 234 | Q | 90.2 | Very high | 87.4 | Confident | 49 Ų | 49 | 54.6 Ų | 54.6 | 23% | 0.229 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 133.8 | 177.2 | 178.4 | 177.7 | -18 | 0 | 0 | 109 | R232 N242 L261 L263 | R232-Q234 VanDerWaalsContact CZ-OE1 3.31Å; Q234-N242 WeakPolarHBondContact CB-OD1 3.36Å; Q234-N242 WeakPolarHBondContact CG-OD1 3.22Å; Q234-L261 PolarHBondContact N-O 3.26Å; Q234-L261 VanDerWaalsContact N-O 3.12Å; Q234-L261 PolarHBondContact O-N 3.17Å; Q234-L263 HydrophobicContact CB-CD1 3.96Å |
| 235 | C | 89.9 | Confident | 87.5 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 135.2 | 173.5 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | L237 C238 Y241 H254 L260 | C235-L237 VanDerWaalsContact C-N 3.33Å; C235-L237 PolarHBondContact SG-N 3.48Å; C235-C238 HydrophobicContact CB-CB 3.91Å; C235-C238 PolarHBondContact SG-N 3.4Å; C235-Y241 HydrophobicContact CB-CD1 4.3Å; C235-Y241 PolarHBondContact N-O 2.9Å; C235-Y241 VanDerWaalsContact N-O 3.11Å; C235-H254 PolarHBondContact SG-NE2 3.49Å; C235-L260 HydrophobicContact CB-CD2 4Å |
| 236 | S | 85.8 | Confident | 87.5 | Confident | 60 Ų | 60 | 54.7 Ų | 54.7 | 42% | 0.42 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -63.6 | -36.7 | 175 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | I259 | S236-I259 PolarHBondContact N-O 3.38Å; S236-I259 PolarHBondContact OG-O 3.19Å; S236-I259 VanDerWaalsContact OG-O 3.14Å |
| 237 | L | 83.6 | Confident | 87.6 | Confident | 112 Ų | 112 | 48.4 Ų | 48.4 | 59% | 0.586 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -95.1 | -21.8 | -175.7 | -64.4 | 171.4 | 0 | 0 | 0 | 113.7 | C235 H258 | C235-L237 VanDerWaalsContact C-N 3.33Å; C235-L237 PolarHBondContact SG-N 3.48Å; L237-H258 VanDerWaalsContact CD1-CD2 3.42Å; L237-H258 WeakPolarHBondContact CD1-CD2 3.5Å |
| 238 | C | 85.1 | Confident | 87.5 | Confident | 36 Ų | 36 | 45.6 Ų | 45.6 | 24% | 0.243 | 26% | 0.258 | C | S | . | . | trans | -120.9 | 92 | -177.9 | -73 | 0 | 0 | 0 | 0 | 111.1 | C235 S240 Y241 H258 | C235-C238 HydrophobicContact CB-CB 3.91Å; C235-C238 PolarHBondContact SG-N 3.4Å; C238-S240 PolarHBondContact O-N 3.47Å; C238-Y241 PolarHBondContact O-N 3.17Å; C238-H258 VanDerWaalsContact SG-CE1 3.54Å | ||
| 239 | P | 78.5 | Confident | 87.3 | Confident | 99 Ų | 99 | 49.8 Ų | 49.8 | 64% | 0.643 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.7 | -174.4 | -28 | 35.5 | 0 | 0 | 0 | 115.1 | N242 | P239-N242 PolarHBondContact O-ND2 3.14Š|
| 240 | S | 82.3 | Confident | 87.1 | Confident | 102 Ų | 102 | 47.1 Ų | 47.1 | 71% | 0.713 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -18.9 | 177.3 | 53 | 0 | 0 | 0 | 0 | 114.1 | C238 N242 | C238-S240 PolarHBondContact O-N 3.47Å; S240-N242 PolarHBondContact O-N 3.06Å; S240-N242 PolarHBondContact O-ND2 2.89Å |
| 241 | Y | 88.9 | Confident | 86.5 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 11% | 0.114 | 32% | 0.317 | C | S | . | . | trans | -84.3 | 117.8 | -177.8 | -164.3 | -85.9 | 0 | 0 | 0 | 111.3 | C235 C238 I243 A253 H254 L260 | C235-Y241 HydrophobicContact CB-CD1 4.3Å; C235-Y241 PolarHBondContact N-O 2.9Å; C235-Y241 VanDerWaalsContact N-O 3.11Å; C238-Y241 PolarHBondContact O-N 3.17Å; Y241-I243 HydrophobicContact CE1-CG2 3.73Å; Y241-A253 WeakPolarHBondContact CE2-O 3.37Å; Y241-A253 VanDerWaalsContact OH-C 3.31Å; Y241-A253 PolarHBondContact OH-O 2.86Å; Y241-H254 AromaticContact CD1-CD2 3.74Å; Y241-H254 AromaticContact CD1-CG 3.93Å; Y241-H254 AromaticContact CD1-NE2 3.85Å; Y241-H254 AromaticContact CD2-CE1 3.76Å; Y241-H254 AromaticContact CD2-ND1 3.64Å; Y241-H254 HydrophobicContact CE1-CB 3.89Å; Y241-H254 AromaticContact CE1-CD2 3.92Å; Y241-H254 AromaticContact CE1-CG 3.76Å; Y241-H254 HydrophobicContact CE2-CB 4.22Å; Y241-H254 AromaticContact CE2-CG 3.99Å; Y241-H254 AromaticContact CE2-ND1 3.7Å; Y241-H254 AromaticContact CG-CE1 3.64Å; Y241-H254 AromaticContact CG-ND1 3.86Å; Y241-H254 AromaticContact CG-NE2 3.78Å; Y241-H254 AromaticContact CZ-CG 3.79Å; Y241-H254 AromaticContact CZ-ND1 4Å; Y241-L260 HydrophobicContact CD1-CD2 4.49Å | ||
| 242 | N | 91.3 | Very high | 86.1 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 130.1 | -169.7 | -69.6 | -88 | 0 | 0 | 0 | 110.2 | I219 C221 S222 I228 R232 Y233 Q234 P239 S240 | I219-N242 HydrophobicContact CG2-CB 4.23Å; C221-N242 CarbonylContact C-O 3.48Å; C221-N242 WeakPolarHBondContact CA-O 3.47Å; S222-N242 PolarHBondContact N-O 3.07Å; S222-N242 PolarHBondContact OG-N 2.81Å; S222-N242 VanDerWaalsContact OG-N 3.08Å; S222-N242 PolarHBondContact OG-O 2.68Å; I228-N242 HydrophobicContact CD1-CB 4.06Å; R232-N242 PolarHBondContact NE-OD1 2.89Å; R232-N242 PolarHBondContact NH2-OD1 3.12Å; Y233-N242 CarbonylContact O-C 3.51Å; Y233-N242 VanDerWaalsContact O-CA 3.26Å; Y233-N242 WeakPolarHBondContact O-CA 3.36Å; Q234-N242 WeakPolarHBondContact CB-OD1 3.36Å; Q234-N242 WeakPolarHBondContact CG-OD1 3.22Å; P239-N242 PolarHBondContact O-ND2 3.14Å; S240-N242 PolarHBondContact O-N 3.06Å; S240-N242 PolarHBondContact O-ND2 2.89Å |
| 243 | I | 92.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 152.1 | 177.1 | 65.9 | -178.2 | 0 | 0 | 0 | 112.1 | Q223 Y233 Y241 C247 E248 Y252 L260 | Q223-I243 HydrophobicContact CB-CG2 4.37Å; Y233-I243 PolarHBondContact N-O 2.89Å; Y233-I243 PolarHBondContact O-N 3.09Å; Y241-I243 HydrophobicContact CE1-CG2 3.73Å; I243-C247 HydrophobicContact CB-CB 4Å; I243-E248 HydrophobicContact CD1-CB 3.81Å; I243-E248 HydrophobicContact CD1-CG 4.43Å; I243-E248 HydrophobicContact CG1-CB 4.22Å; I243-Y252 HydrophobicContact CD1-CD1 3.65Å; I243-Y252 HydrophobicContact CD1-CD2 4.36Å; I243-Y252 HydrophobicContact CD1-CE1 4.12Å; I243-Y252 HydrophobicContact CD1-CG 3.78Å; I243-L260 HydrophobicContact CD1-CD1 3.58Å; I243-L260 HydrophobicContact CG1-CD1 4.24Å |
| 244 | C | 91.1 | Very high | 84.8 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 165.3 | 170.4 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | I228 D246 C247 E248 | I228-C244 HydrophobicContact CB-CB 4.48Å; I228-C244 HydrophobicContact CG1-CB 4.18Å; I228-C244 HydrophobicContact CG2-CB 4.04Å; C244-D246 VanDerWaalsContact C-N 3.28Å; C244-D246 PolarHBondContact O-N 3.47Å; C244-C247 WeakPolarHBondContact O-CA 3.34Å; C244-C247 PolarHBondContact O-N 2.89Å; C244-E248 PolarHBondContact O-N 2.82Å |
| 245 | E | 89.9 | Confident | 84.3 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -54.2 | -41.1 | 178.6 | -160.4 | 148.4 | -139.1 | 0 | 0 | 112.6 | V231 Y233 C247 E248 A249 K262 | V231-E245 HydrophobicContact CB-CB 4.49Å; V231-E245 WeakPolarHBondContact CB-OE2 3.25Å; V231-E245 VanDerWaalsContact CG2-OE2 3.26Å; V231-E245 WeakPolarHBondContact CG2-OE2 3.45Å; Y233-E245 HydrophobicContact CE2-CB 4.22Å; Y233-E245 HydrophobicContact CE2-CG 4.24Å; E245-C247 PolarHBondContact O-N 3.42Å; E245-C247 VanDerWaalsContact O-N 3.15Å; E245-E248 PolarHBondContact O-N 3.28Å; E245-A249 PolarHBondContact O-N 3.26Å; E245-A249 VanDerWaalsContact O-N 3.12Å; E245-K262 WeakPolarHBondContact OE1-CE 3.4Å; E245-K262 IonicContact OE1-NZ 2.68Å; E245-K262 PolarHBondContact OE1-NZ 3.45Å |
| 246 | D | 87.5 | Confident | 83.7 | Confident | 131 Ų | 131 | 67.9 Ų | 67.9 | 70% | 0.701 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60 | -25.2 | 174.6 | -38.9 | -58.4 | 0 | 0 | 0 | 114.2 | C244 | C244-D246 VanDerWaalsContact C-N 3.28Å; C244-D246 PolarHBondContact O-N 3.47Å |
| 247 | C | 88.6 | Confident | 83.4 | Confident | 16 Ų | 16 | 71.4 Ų | 71.4 | 11% | 0.108 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -100.2 | -15.7 | -177.7 | -71 | 0 | 0 | 0 | 0 | 113.1 | C221 Q223 I243 C244 E245 Y252 | C221-C247 VanDerWaalsContact SG-SG 3.67Å; Q223-C247 HydrophobicContact CB-CB 4.29Å; I243-C247 HydrophobicContact CB-CB 4Å; C244-C247 WeakPolarHBondContact O-CA 3.34Å; C244-C247 PolarHBondContact O-N 2.89Å; E245-C247 PolarHBondContact O-N 3.42Å; E245-C247 VanDerWaalsContact O-N 3.15Å; C247-Y252 WeakPolarHBondContact O-CD1 3.46Å |
| 248 | E | 88.1 | Confident | 83.6 | Confident | 75 Ų | 75 | 68.2 Ų | 68.2 | 35% | 0.35 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -81.6 | -34.9 | 168.9 | -176.5 | -106.9 | -168.7 | 0 | 0 | 111.2 | Y233 I243 C244 E245 G250 L260 | Y233-E248 HydrophobicContact CD1-CB 4.25Å; Y233-E248 HydrophobicContact CD1-CG 3.75Å; Y233-E248 HydrophobicContact CD2-CB 3.99Å; Y233-E248 HydrophobicContact CD2-CG 4.38Å; Y233-E248 HydrophobicContact CE1-CB 4.13Å; Y233-E248 HydrophobicContact CE1-CG 3.49Å; Y233-E248 VanDerWaalsContact CE1-CG 3.49Å; Y233-E248 WeakPolarHBondContact CE1-OE1 3.41Å; Y233-E248 HydrophobicContact CE2-CB 3.92Å; Y233-E248 HydrophobicContact CE2-CG 4.21Å; Y233-E248 HydrophobicContact CG-CB 4.13Å; Y233-E248 HydrophobicContact CG-CG 4.15Å; Y233-E248 PolarHBondContact OH-OE1 3.13Å; Y233-E248 PolarHBondContact OH-OE2 2.95Å; I243-E248 HydrophobicContact CD1-CB 3.81Å; I243-E248 HydrophobicContact CD1-CG 4.43Å; I243-E248 HydrophobicContact CG1-CB 4.22Å; C244-E248 PolarHBondContact O-N 2.82Å; E245-E248 PolarHBondContact O-N 3.28Å; E248-G250 PolarHBondContact O-N 3.18Å; E248-G250 VanDerWaalsContact O-N 3.13Å; E248-L260 HydrophobicContact CG-CD1 4.39Å |
| 249 | A | 81.9 | Confident | 83.6 | Confident | 89 Ų | 89 | 72.1 Ų | 72.1 | 74% | 0.736 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -72.3 | 5.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E245 | E245-A249 PolarHBondContact O-N 3.26Å; E245-A249 VanDerWaalsContact O-N 3.12Å |
| 250 | G | 80.2 | Confident | 84.1 | Confident | 28 Ų | 28 | 68.8 Ų | 68.8 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -139.6 | 175.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E248 Y252 | E248-G250 PolarHBondContact O-N 3.18Å; E248-G250 VanDerWaalsContact O-N 3.13Å; G250-Y252 WeakPolarHBondContact O-CD1 3.47Å; G250-Y252 PolarHBondContact O-N 3.5Å |
| 251 | P | 74.2 | Confident | 84.4 | Confident | 127 Ų | 127 | 68.1 Ų | 68.1 | 83% | 0.825 | 38% | 0.384 | S | S | * | . | trans | -68.5 | 106.9 | -179.8 | 27.6 | -33.8 | 0 | 0 | 0 | 111 | Q223 | Q223-P251 PolarHBondContact NE2-O 3.49Š| ||
| 252 | Y | 78.2 | Confident | 84.5 | Confident | 77 Ų | 77 | 70.9 Ų | 70.9 | 30% | 0.302 | 40% | 0.397 | S | S | . | . | trans | -98.4 | 143.7 | 170.3 | 57.8 | -95.3 | 0 | 0 | 0 | 110.8 | I243 C247 G250 H254 L260 | I243-Y252 HydrophobicContact CD1-CD1 3.65Å; I243-Y252 HydrophobicContact CD1-CD2 4.36Å; I243-Y252 HydrophobicContact CD1-CE1 4.12Å; I243-Y252 HydrophobicContact CD1-CG 3.78Å; C247-Y252 WeakPolarHBondContact O-CD1 3.46Å; G250-Y252 WeakPolarHBondContact O-CD1 3.47Å; G250-Y252 PolarHBondContact O-N 3.5Å; Y252-H254 HydrophobicContact CD2-CB 3.85Å; Y252-H254 HydrophobicContact CE2-CB 4.05Å; Y252-H254 PolarHBondContact O-N 3.46Å; Y252-L260 HydrophobicContact CE1-CD1 4.01Å; Y252-L260 HydrophobicContact CE2-CD1 4.02Å | ||
| 253 | A | 71.4 | Confident | 84.3 | Confident | 73 Ų | 73 | 72.7 Ų | 72.7 | 60% | 0.603 | 41% | 0.407 | S | S | * | . | trans | -87.7 | 95.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y241 | Y241-A253 WeakPolarHBondContact CE2-O 3.37Å; Y241-A253 VanDerWaalsContact OH-C 3.31Å; Y241-A253 PolarHBondContact OH-O 2.86Å | ||
| 254 | H | 81.4 | Confident | 84 | Confident | 49 Ų | 49 | 81.2 Ų | 81.2 | 23% | 0.227 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -142.1 | -178.9 | 167.1 | -150.9 | 31.7 | 0 | 0 | 0 | 110.2 | C235 Y241 Y252 H258 | C235-H254 PolarHBondContact SG-NE2 3.49Å; Y241-H254 AromaticContact CD1-CD2 3.74Å; Y241-H254 AromaticContact CD1-CG 3.93Å; Y241-H254 AromaticContact CD1-NE2 3.85Å; Y241-H254 AromaticContact CD2-CE1 3.76Å; Y241-H254 AromaticContact CD2-ND1 3.64Å; Y241-H254 HydrophobicContact CE1-CB 3.89Å; Y241-H254 AromaticContact CE1-CD2 3.92Å; Y241-H254 AromaticContact CE1-CG 3.76Å; Y241-H254 HydrophobicContact CE2-CB 4.22Å; Y241-H254 AromaticContact CE2-CG 3.99Å; Y241-H254 AromaticContact CE2-ND1 3.7Å; Y241-H254 AromaticContact CG-CE1 3.64Å; Y241-H254 AromaticContact CG-ND1 3.86Å; Y241-H254 AromaticContact CG-NE2 3.78Å; Y241-H254 AromaticContact CZ-CG 3.79Å; Y241-H254 AromaticContact CZ-ND1 4Å; Y252-H254 HydrophobicContact CD2-CB 3.85Å; Y252-H254 HydrophobicContact CE2-CB 4.05Å; Y252-H254 PolarHBondContact O-N 3.46Å; H254-H258 AromaticContact CD2-ND1 3.67Å; H254-H258 AromaticContact CE1-ND1 3.41Å; H254-H258 PolarHBondContact CE1-ND1 3Å; H254-H258 AromaticContact NE2-CG 3.73Å; H254-H258 AromaticContact NE2-ND1 2.98Å; H254-H258 PolarHBondContact NE2-ND1 3.44Å |
| 255 | D | 80.4 | Confident | 83.3 | Confident | 77 Ų | 77 | 88.6 Ų | 88.6 | 41% | 0.412 | 47% | 0.466 | S | S | . | . | trans | -78.8 | 131.9 | 170.7 | -166.1 | -65.3 | 0 | 0 | 0 | 109.5 | N257 H258 | D255-N257 PolarHBondContact O-N 2.62Å; D255-N257 VanDerWaalsContact OD1-CB 3.3Å; D255-N257 WeakPolarHBondContact OD1-CB 3.32Å; D255-N257 PolarHBondContact OD1-N 2.96Å; D255-N257 PolarHBondContact OD1-ND2 2.97Å; D255-H258 WeakPolarHBondContact O-CB 3.38Å; D255-H258 PolarHBondContact O-N 3.37Å | ||
| 256 | D | 77.8 | Confident | 82.2 | Confident | 155 Ų | 155 | 87.8 Ų | 87.8 | 83% | 0.829 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -18.2 | -176.6 | -66.3 | -44.9 | 0 | 0 | 0 | 113 | H258 | D256-H258 VanDerWaalsContact C-N 3.26Å; D256-H258 PolarHBondContact O-N 2.86Å |
| 257 | N | 79.6 | Confident | 80.7 | Confident | 133 Ų | 133 | 86.6 Ų | 86.6 | 71% | 0.711 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -7.4 | 175.4 | -55.1 | -78.8 | 0 | 0 | 0 | 112.8 | D255 I259 | D255-N257 PolarHBondContact O-N 2.62Å; D255-N257 VanDerWaalsContact OD1-CB 3.3Å; D255-N257 WeakPolarHBondContact OD1-CB 3.32Å; D255-N257 PolarHBondContact OD1-N 2.96Å; D255-N257 PolarHBondContact OD1-ND2 2.97Å; N257-I259 PolarHBondContact O-N 2.59Å |
| 258 | H | 86.7 | Confident | 78.8 | Confident | 45 Ų | 45 | 94 Ų | 94 | 21% | 0.208 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -92.1 | 102.3 | -173.9 | -77.3 | -162.3 | 0 | 0 | 0 | 113 | L237 C238 H254 D255 D256 L260 | L237-H258 VanDerWaalsContact CD1-CD2 3.42Å; L237-H258 WeakPolarHBondContact CD1-CD2 3.5Å; C238-H258 VanDerWaalsContact SG-CE1 3.54Å; H254-H258 AromaticContact CD2-ND1 3.67Å; H254-H258 AromaticContact CE1-ND1 3.41Å; H254-H258 PolarHBondContact CE1-ND1 3Å; H254-H258 AromaticContact NE2-CG 3.73Å; H254-H258 AromaticContact NE2-ND1 2.98Å; H254-H258 PolarHBondContact NE2-ND1 3.44Å; D255-H258 WeakPolarHBondContact O-CB 3.38Å; D255-H258 PolarHBondContact O-N 3.37Å; D256-H258 VanDerWaalsContact C-N 3.26Å; D256-H258 PolarHBondContact O-N 2.86Å; H258-L260 PolarHBondContact O-N 3.19Å |
| 259 | I | 85.2 | Confident | 76.3 | Confident | 118 Ų | 118 | 96.8 Ų | 96.8 | 61% | 0.605 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 127.9 | -179.4 | -56.7 | 175.5 | 0 | 0 | 0 | 111.8 | S236 N257 | S236-I259 PolarHBondContact N-O 3.38Å; S236-I259 PolarHBondContact OG-O 3.19Å; S236-I259 VanDerWaalsContact OG-O 3.14Å; N257-I259 PolarHBondContact O-N 2.59Å |
| 260 | L | 89.5 | Confident | 74.1 | Confident | 30 Ų | 30 | 97.8 Ų | 97.8 | 16% | 0.157 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125.6 | 174.8 | -64.1 | -179.2 | 0 | 0 | 0 | 111.9 | Y233 C235 Y241 I243 E248 Y252 H258 | Y233-L260 HydrophobicContact CD1-CB 4.25Å; C235-L260 HydrophobicContact CB-CD2 4Å; Y241-L260 HydrophobicContact CD1-CD2 4.49Å; I243-L260 HydrophobicContact CD1-CD1 3.58Å; I243-L260 HydrophobicContact CG1-CD1 4.24Å; E248-L260 HydrophobicContact CG-CD1 4.39Å; Y252-L260 HydrophobicContact CE1-CD1 4.01Å; Y252-L260 HydrophobicContact CE2-CD1 4.02Å; H258-L260 PolarHBondContact O-N 3.19Å |
| 261 | L | 88.3 | Confident | 71.9 | Confident | 87 Ų | 87 | 101 Ų | 101 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 117.4 | 178.3 | -58.5 | 176.3 | 0 | 0 | 0 | 110.8 | Y233 Q234 L263 | Y233-L261 WeakPolarHBondContact CA-O 3.45Å; Q234-L261 PolarHBondContact N-O 3.26Å; Q234-L261 VanDerWaalsContact N-O 3.12Å; Q234-L261 PolarHBondContact O-N 3.17Å; L261-L263 PolarHBondContact O-N 3.32Å; L261-L263 VanDerWaalsContact O-N 3.14Å |
| 262 | K | 91.7 | Very high | 70.1 | Confident | 88 Ų | 88 | 102.3 Ų | 102.3 | 38% | 0.383 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 88.5 | -178.2 | -168.9 | 168 | -171.6 | 157 | 0 | 112.7 | V231 Y233 E245 R264 | V231-K262 HydrophobicContact CG1-CD 4.25Å; V231-K262 HydrophobicContact CG1-CG 3.52Å; Y233-K262 HydrophobicContact CD1-CB 4.02Å; Y233-K262 HydrophobicContact CD1-CG 4.22Å; Y233-K262 HydrophobicContact CE1-CB 3.76Å; Y233-K262 HydrophobicContact CE1-CD 3.72Å; Y233-K262 HydrophobicContact CE1-CG 3.68Å; Y233-K262 HydrophobicContact CE2-CD 4.26Å; Y233-K262 HydrophobicContact CE2-CG 4.13Å; Y233-K262 VanDerWaalsContact CZ-CD 3.48Å; Y233-K262 VanDerWaalsContact OH-CD 3.31Å; Y233-K262 WeakPolarHBondContact OH-CD 3.45Å; Y233-K262 WeakPolarHBondContact OH-CE 3.33Å; Y233-K262 PolarHBondContact OH-NZ 3.32Å; E245-K262 WeakPolarHBondContact OE1-CE 3.4Å; E245-K262 IonicContact OE1-NZ 2.68Å; E245-K262 PolarHBondContact OE1-NZ 3.45Å; K262-R264 PolarHBondContact O-N 2.86Å |
| 263 | L | 86.6 | Confident | 68.3 | Low | 45 Ų | 45 | 104.2 Ų | 104.2 | 24% | 0.236 | 56% | 0.555 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.5 | 105.6 | 179.7 | -55.4 | 174.7 | 0 | 0 | 0 | 111.5 | W217 V231 R232 Q234 L261 | W217-L263 HydrophobicContact CH2-CB 3.64Å; W217-L263 HydrophobicContact CH2-CD1 4.38Å; W217-L263 HydrophobicContact CZ2-CB 4Å; W217-L263 WeakPolarHBondContact CZ2-O 3.35Å; W217-L263 HydrophobicContact CZ3-CB 4.5Å; W217-L263 HydrophobicContact CZ3-CD1 4.5Å; V231-L263 WeakPolarHBondContact CG1-O 3.28Å; R232-L263 HydrophobicContact CB-CB 4.41Å; R232-L263 PolarHBondContact N-O 3.16Å; R232-L263 WeakPolarHBondContact O-CA 3.42Å; R232-L263 WeakPolarHBondContact O-CB 3.48Å; R232-L263 PolarHBondContact O-N 2.82Å; Q234-L263 HydrophobicContact CB-CD1 3.96Å; L261-L263 PolarHBondContact O-N 3.32Å; L261-L263 VanDerWaalsContact O-N 3.14Å |
| 264 | R | 84.9 | Confident | 66.5 | Low | 178 Ų | 178 | 109.1 Ų | 109.1 | 67% | 0.672 | 56% | 0.563 | S | S | * | * | trans | -87.4 | -16.5 | -177.8 | -57.4 | -173.1 | -169.7 | -175.6 | 2.3 | 115.4 | V231 K262 | V231-R264 HydrophobicContact CG1-CG 4.18Å; V231-R264 HydrophobicContact CG2-CG 4.23Å; K262-R264 PolarHBondContact O-N 2.86Å | ||
| 265 | R | 76.7 | Confident | 64.1 | Low | 161 Ų | 161 | 112.3 Ų | 112.3 | 61% | 0.608 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -147.3 | 144.1 | 177.9 | -70.4 | -175.4 | 174.4 | 164.7 | -2.2 | 110.4 | F215 W217 V267 | F215-R265 HydrophobicContact CD2-CG 4.39Å; F215-R265 HydrophobicContact CE2-CG 4.18Å; W217-R265 VanDerWaalsContact CH2-O 3.25Å; W217-R265 WeakPolarHBondContact CH2-O 3.48Å; W217-R265 VanDerWaalsContact CZ2-C 3.48Å; R265-V267 PolarHBondContact O-N 2.85Å |
| 266 | P | 67.3 | Low | 62.2 | Low | 62 Ų | 62 | 116.8 Ų | 116.8 | 40% | 0.403 | 61% | 0.608 | S | S | . | * | trans | -58.4 | 109.6 | 175.1 | -26.3 | 35.7 | 0 | 0 | 0 | 112.5 | W217 L268 | W217-P266 HydrophobicContact CD2-CG 4.22Å; W217-P266 HydrophobicContact CE3-CB 4.41Å; W217-P266 HydrophobicContact CE3-CG 4.09Å; W217-P266 VanDerWaalsContact CH2-CA 3.5Å; W217-P266 HydrophobicContact CH2-CB 4.35Å; W217-P266 HydrophobicContact CH2-CG 4.19Å; W217-P266 HydrophobicContact CZ2-CG 4.26Å; W217-P266 HydrophobicContact CZ3-CB 4.09Å; W217-P266 HydrophobicContact CZ3-CG 4.1Å; P266-L268 PolarHBondContact O-N 2.96Å | ||
| 267 | V | 55.3 | Low | 60.1 | Low | 105 Ų | 105 | 117 Ų | 117 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | trans | -76.1 | 115 | 169.4 | -171.9 | 0 | 0 | 0 | 0 | 107.4 | R265 I269 | R265-V267 PolarHBondContact O-N 2.85Å; V267-I269 HydrophobicContact CB-CG1 4.07Å; V267-I269 HydrophobicContact CG1-CD1 4.34Å; V267-I269 HydrophobicContact CG1-CG1 3.62Å; V267-I269 PolarHBondContact O-N 3.36Å | ||
| 268 | L | 49.6 | Very low | 58.3 | Low | 172 Ų | 172 | 119.5 Ų | 119.5 | 90% | 0.901 | 61% | 0.613 | S | S | * | * | trans | -74.3 | 74.9 | 173.1 | -71.7 | 171.2 | 0 | 0 | 0 | 109.8 | P266 S270 | P266-L268 PolarHBondContact O-N 2.96Å; L268-S270 PolarHBondContact O-N 3.45Å | ||
| 269 | I | 34.9 | Very low | 55.8 | Low | 133 Ų | 133 | 127 Ų | 127 | 68% | 0.682 | 64% | 0.641 | S | S | * | * | trans | -72.4 | 110.7 | 174.4 | -57.3 | 178.9 | 0 | 0 | 0 | 108.1 | V267 S271 | V267-I269 HydrophobicContact CB-CG1 4.07Å; V267-I269 HydrophobicContact CG1-CD1 4.34Å; V267-I269 HydrophobicContact CG1-CG1 3.62Å; V267-I269 PolarHBondContact O-N 3.36Å; I269-S271 VanDerWaalsContact C-N 3.3Å; I269-S271 PolarHBondContact O-N 3.47Å; I269-S271 VanDerWaalsContact O-N 3.08Å | ||
| 270 | S | 35.3 | Very low | 53.6 | Low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 65% | 0.651 | S | S | * | * | trans | -81 | 75.5 | 173.3 | -177.4 | 0 | 0 | 0 | 0 | 110 | L268 E272 | L268-S270 PolarHBondContact O-N 3.45Å; S270-E272 PolarHBondContact O-N 2.94Å | ||
| 271 | S | 35.4 | Very low | 50.8 | Low | 96 Ų | 96 | 131.9 Ų | 131.9 | 67% | 0.671 | 68% | 0.68 | S | S | * | * | trans | -74.4 | 107.6 | 172.8 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | I269 P273 | I269-S271 VanDerWaalsContact C-N 3.3Å; I269-S271 PolarHBondContact O-N 3.47Å; I269-S271 VanDerWaalsContact O-N 3.08Å; S271-P273 WeakPolarHBondContact O-CD 3.47Å | ||
| 272 | E | 36.8 | Very low | 48.7 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 72% | 0.724 | 69% | 0.694 | S | S | * | * | trans | -76.8 | 137.1 | 161.5 | -65.8 | -173 | 144.9 | 0 | 0 | 110 | S270 | S270-E272 PolarHBondContact O-N 2.94Š| ||
| 273 | P | 39.6 | Very low | 46.3 | Very low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 72% | 0.721 | S | S | * | * | trans | -118.2 | 128.8 | 142.2 | -1.7 | 22.5 | 0 | 0 | 0 | 110.2 | S271 S275 | S271-P273 WeakPolarHBondContact O-CD 3.47Å; P273-S275 PolarHBondContact O-N 2.95Å | ||
| 274 | F | 34.1 | Very low | 44.3 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -67.5 | 126 | 174 | -95.7 | -108.8 | 0 | 0 | 0 | 111.6 | ||||
| 275 | S | 31.4 | Very low | 42.7 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -158.9 | 136.6 | 147 | 43.5 | 0 | 0 | 0 | 0 | 111.1 | P273 | P273-S275 PolarHBondContact O-N 2.95Š| ||
| 276 | H | 40.3 | Very low | 41.7 | Very low | 171 Ų | 171 | 138 Ų | 138 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | trans | -77.6 | 129.1 | -175.5 | -89.8 | -94.9 | 0 | 0 | 0 | 112.6 | ||||
| 277 | L | 33.2 | Very low | 41.1 | Very low | 161 Ų | 161 | 138 Ų | 138 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -150.4 | 134.4 | 150.3 | -110 | 163.1 | 0 | 0 | 0 | 110.6 | ||||
| 278 | K | 42.5 | Very low | 41 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | trans | -93.3 | 101 | -168.2 | -64.2 | -179.4 | -176 | 178.2 | 0 | 112.5 | ||||
| 279 | Y | 33.1 | Very low | 41.2 | Very low | 202 Ų | 202 | 137 Ų | 137 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | trans | -142.5 | 151.7 | 161.3 | -77.9 | -71.3 | 0 | 0 | 0 | 111.3 | ||||
| 280 | P | 38.8 | Very low | 42.3 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 126.1 | -170.9 | 30.1 | -34.4 | 0 | 0 | 0 | 112.7 | ||
| 281 | T | 30.4 | Very low | 43.7 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 136.7 | -177.8 | -34.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 282 | P | 44.5 | Very low | 45.2 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 150.9 | 164.3 | -20.2 | 33.2 | 0 | 0 | 0 | 111.8 | ||
| 283 | R | 42.6 | Very low | 46.4 | Very low | 252 Ų | 252 | 137.6 Ų | 137.6 | 95% | 0.951 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 135 | 178.9 | -66.9 | -176.1 | 177.4 | -171.2 | -1.7 | 111.7 | ||
| 284 | L | 43.6 | Very low | 47.7 | Very low | 162 Ų | 162 | 137 Ų | 137 | 85% | 0.848 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 159.6 | 169.2 | -81.6 | 164.9 | 0 | 0 | 0 | 111.8 | ||
| 285 | P | 52.3 | Low | 49.6 | Very low | 97 Ų | 97 | 135 Ų | 135 | 63% | 0.63 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 136.3 | -178.2 | -17.9 | 32.7 | 0 | 0 | 0 | 114 | A287 L288 | P285-A287 PolarHBondContact O-N 3.41Å; P285-L288 PolarHBondContact O-N 3.33Å |
| 286 | A | 55.2 | Low | 51.4 | Low | 63 Ų | 63 | 135.3 Ų | 135.3 | 52% | 0.521 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.8 | -16.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | L288 E289 Q290 | A286-L288 PolarHBondContact O-N 3.48Å; A286-E289 PolarHBondContact O-N 2.94Å; A286-Q290 PolarHBondContact O-N 3.36Å |
| 287 | A | 54 | Low | 53.1 | Low | 62 Ų | 62 | 131.4 Ų | 131.4 | 51% | 0.512 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -61.2 | -29.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P285 V291 | P285-A287 PolarHBondContact O-N 3.41Å; A287-V291 WeakPolarHBondContact O-CG2 3.38Å; A287-V291 PolarHBondContact O-N 2.72Å |
| 288 | L | 52.7 | Low | 55.3 | Low | 118 Ų | 118 | 127.1 Ų | 127.1 | 62% | 0.618 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77.9 | -32.9 | -177.3 | -148.6 | 159 | 0 | 0 | 0 | 111.9 | P285 A286 V291 R292 | P285-L288 PolarHBondContact O-N 3.33Å; A286-L288 PolarHBondContact O-N 3.48Å; L288-V291 PolarHBondContact O-N 2.92Å; L288-R292 HydrophobicContact CD2-CG 4.38Å; L288-R292 WeakPolarHBondContact O-CG 3.5Å; L288-R292 PolarHBondContact O-N 3.14Å |
| 289 | E | 55 | Low | 57.2 | Low | 139 Ų | 139 | 125.6 Ų | 125.6 | 65% | 0.65 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.8 | -42.8 | 172.4 | -67.7 | -175.1 | 122.4 | 0 | 0 | 111.3 | A286 V291 R292 L293 | A286-E289 PolarHBondContact O-N 2.94Å; E289-V291 VanDerWaalsContact C-N 3.3Å; E289-V291 PolarHBondContact O-N 3.41Å; E289-R292 PolarHBondContact O-N 3.38Å; E289-L293 WeakPolarHBondContact O-CG 3.31Å; E289-L293 PolarHBondContact O-N 3.41Å |
| 290 | Q | 57.7 | Low | 59.8 | Low | 133 Ų | 133 | 120.2 Ų | 120.2 | 62% | 0.621 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -56.8 | -41.6 | 176.2 | -70.2 | 178.9 | -28.7 | 0 | 0 | 112.3 | A286 R292 L293 Q294 | A286-Q290 PolarHBondContact O-N 3.36Å; Q290-R292 PolarHBondContact O-N 3.48Å; Q290-L293 PolarHBondContact O-N 3.26Å; Q290-Q294 WeakPolarHBondContact O-CB 3.37Å; Q290-Q294 PolarHBondContact O-N 3.36Å |
| 291 | V | 65.5 | Low | 62.2 | Low | 83 Ų | 83 | 120.6 Ų | 120.6 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.6 | -31.1 | 176.9 | 174.5 | 0 | 0 | 0 | 0 | 112.7 | A287 L288 E289 K295 | A287-V291 WeakPolarHBondContact O-CG2 3.38Å; A287-V291 PolarHBondContact O-N 2.72Å; L288-V291 PolarHBondContact O-N 2.92Å; E289-V291 VanDerWaalsContact C-N 3.3Å; E289-V291 PolarHBondContact O-N 3.41Å; V291-K295 WeakPolarHBondContact O-CG 3.48Å; V291-K295 PolarHBondContact O-N 2.88Å |
| 292 | R | 65.4 | Low | 64.9 | Low | 181 Ų | 181 | 119.1 Ų | 119.1 | 68% | 0.683 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.1 | -43.2 | 174.4 | -66.9 | 177.6 | 90.5 | 139.6 | 1.5 | 111.1 | L288 E289 Q290 K295 Q296 | L288-R292 HydrophobicContact CD2-CG 4.38Å; L288-R292 WeakPolarHBondContact O-CG 3.5Å; L288-R292 PolarHBondContact O-N 3.14Å; E289-R292 PolarHBondContact O-N 3.38Å; Q290-R292 PolarHBondContact O-N 3.48Å; R292-K295 PolarHBondContact O-N 3.06Å; R292-Q296 PolarHBondContact O-N 3.3Å; R292-Q296 VanDerWaalsContact O-N 3.13Å |
| 293 | L | 62.2 | Low | 67.1 | Low | 108 Ų | 108 | 120.3 Ų | 120.3 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.5 | -45.9 | 175.7 | -69.5 | 170.9 | 0 | 0 | 0 | 111.5 | E289 Q290 K295 Q296 V297 | E289-L293 WeakPolarHBondContact O-CG 3.31Å; E289-L293 PolarHBondContact O-N 3.41Å; Q290-L293 PolarHBondContact O-N 3.26Å; L293-K295 PolarHBondContact O-N 2.99Å; L293-Q296 WeakPolarHBondContact O-CB 3.35Å; L293-Q296 PolarHBondContact O-N 2.94Å; L293-V297 WeakPolarHBondContact O-CG2 3.42Å; L293-V297 PolarHBondContact O-N 3.49Å |
| 294 | Q | 68.3 | Low | 69.3 | Low | 105 Ų | 105 | 110.9 Ų | 110.9 | 49% | 0.491 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -57 | -51.5 | 176.1 | -172 | 63 | 51.9 | 0 | 0 | 111.2 | Q290 Q296 V297 D298 | Q290-Q294 WeakPolarHBondContact O-CB 3.37Å; Q290-Q294 PolarHBondContact O-N 3.36Å; Q294-Q296 PolarHBondContact O-N 3.5Å; Q294-Q296 VanDerWaalsContact O-N 3.08Å; Q294-V297 CarbonylContact O-C 3.58Å; Q294-V297 WeakPolarHBondContact O-CA 3.33Å; Q294-V297 WeakPolarHBondContact O-CB 3.45Å; Q294-V297 PolarHBondContact O-N 3.13Å; Q294-D298 PolarHBondContact NE2-OD1 3.47Å; Q294-D298 PolarHBondContact O-N 2.99Å |
| 295 | K | 72.3 | Confident | 71.4 | Confident | 135 Ų | 135 | 105.6 Ų | 105.6 | 59% | 0.587 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.1 | -19.8 | 177.6 | -73.7 | -178.5 | 177.2 | -177.1 | 0 | 114.4 | V291 R292 L293 K299 | V291-K295 WeakPolarHBondContact O-CG 3.48Å; V291-K295 PolarHBondContact O-N 2.88Å; R292-K295 PolarHBondContact O-N 3.06Å; L293-K295 PolarHBondContact O-N 2.99Å; K295-K299 WeakPolarHBondContact O-CG 3.48Å; K295-K299 PolarHBondContact O-N 3.29Å |
| 296 | Q | 70.5 | Confident | 73.4 | Confident | 121 Ų | 121 | 107.1 Ų | 107.1 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -85.1 | -38.2 | 173.5 | -172.3 | 165.6 | -16.3 | 0 | 0 | 111.5 | R292 L293 Q294 K299 N300 | R292-Q296 PolarHBondContact O-N 3.3Å; R292-Q296 VanDerWaalsContact O-N 3.13Å; L293-Q296 WeakPolarHBondContact O-CB 3.35Å; L293-Q296 PolarHBondContact O-N 2.94Å; Q294-Q296 PolarHBondContact O-N 3.5Å; Q294-Q296 VanDerWaalsContact O-N 3.08Å; Q296-K299 PolarHBondContact O-N 2.89Å; Q296-N300 VanDerWaalsContact O-CG 3.31Å; Q296-N300 PolarHBondContact O-N 3.37Å |
| 297 | V | 74.9 | Confident | 75.2 | Confident | 89 Ų | 89 | 107.9 Ų | 107.9 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 169.4 | 172 | 0 | 0 | 0 | 0 | 110.7 | L293 Q294 K299 N300 F301 | L293-V297 WeakPolarHBondContact O-CG2 3.42Å; L293-V297 PolarHBondContact O-N 3.49Å; Q294-V297 CarbonylContact O-C 3.58Å; Q294-V297 WeakPolarHBondContact O-CA 3.33Å; Q294-V297 WeakPolarHBondContact O-CB 3.45Å; Q294-V297 PolarHBondContact O-N 3.13Å; V297-K299 VanDerWaalsContact C-N 3.31Å; V297-K299 PolarHBondContact O-N 2.84Å; V297-N300 PolarHBondContact O-N 3.48Å; V297-N300 VanDerWaalsContact O-N 3.07Å; V297-F301 WeakPolarHBondContact O-CB 3.08Å; V297-F301 PolarHBondContact O-N 2.79Å |
| 298 | D | 80.2 | Confident | 77.3 | Confident | 71 Ų | 71 | 112 Ų | 112 | 38% | 0.38 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.1 | -42.5 | 178.6 | -54.9 | -27.2 | 0 | 0 | 0 | 111.5 | Q294 F301 V302 | Q294-D298 PolarHBondContact NE2-OD1 3.47Å; Q294-D298 PolarHBondContact O-N 2.99Å; D298-F301 PolarHBondContact O-N 3.49Å; D298-V302 WeakPolarHBondContact O-CG2 3.32Å; D298-V302 PolarHBondContact O-N 3.2Å |
| 299 | K | 83.1 | Confident | 79.3 | Confident | 152 Ų | 152 | 111 Ų | 111 | 66% | 0.661 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65 | -38.5 | 175.5 | -81.7 | -179.7 | 175.3 | -172.7 | 0 | 112.7 | K295 Q296 V297 K303 | K295-K299 WeakPolarHBondContact O-CG 3.48Å; K295-K299 PolarHBondContact O-N 3.29Å; Q296-K299 PolarHBondContact O-N 2.89Å; V297-K299 VanDerWaalsContact C-N 3.31Å; V297-K299 PolarHBondContact O-N 2.84Å; K299-K303 WeakPolarHBondContact O-CG 3.17Å; K299-K303 PolarHBondContact O-N 3.43Å; K299-K303 VanDerWaalsContact O-N 3.16Å |
| 300 | N | 85.8 | Confident | 81.2 | Confident | 89 Ų | 89 | 111.6 Ų | 111.6 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.2 | -38.1 | 177.4 | -72.2 | -4.5 | 0 | 0 | 0 | 111.3 | Q296 V297 K303 A304 | Q296-N300 VanDerWaalsContact O-CG 3.31Å; Q296-N300 PolarHBondContact O-N 3.37Å; V297-N300 PolarHBondContact O-N 3.48Å; V297-N300 VanDerWaalsContact O-N 3.07Å; N300-K303 WeakPolarHBondContact O-CB 3.34Å; N300-K303 PolarHBondContact O-N 2.83Å; N300-A304 PolarHBondContact O-N 3.26Å |
| 301 | F | 89.1 | Confident | 82.8 | Confident | 132 Ų | 132 | 108.1 Ų | 108.1 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.3 | -50.1 | 172.7 | -179 | -96.4 | 0 | 0 | 0 | 111.3 | V297 D298 K303 A304 E305 | V297-F301 WeakPolarHBondContact O-CB 3.08Å; V297-F301 PolarHBondContact O-N 2.79Å; D298-F301 PolarHBondContact O-N 3.49Å; F301-K303 VanDerWaalsContact C-N 3.27Å; F301-K303 PolarHBondContact O-N 2.85Å; F301-A304 PolarHBondContact O-N 3.15Å; F301-E305 VanDerWaalsContact O-CB 3.27Å; F301-E305 WeakPolarHBondContact O-CB 3.15Å; F301-E305 PolarHBondContact O-N 2.67Å |
| 302 | V | 87.8 | Confident | 84.2 | Confident | 97 Ų | 97 | 107.7 Ų | 107.7 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63 | -29.9 | 177.5 | 171.9 | 0 | 0 | 0 | 0 | 112.8 | D298 K306 | D298-V302 WeakPolarHBondContact O-CG2 3.32Å; D298-V302 PolarHBondContact O-N 3.2Å; V302-K306 VanDerWaalsContact O-CB 3.32Å; V302-K306 WeakPolarHBondContact O-CB 3.43Å; V302-K306 PolarHBondContact O-N 3.44Å; V302-K306 VanDerWaalsContact O-N 3.15Å |
| 303 | K | 90.5 | Very high | 85.6 | Confident | 138 Ų | 138 | 107 Ų | 107 | 60% | 0.6 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.8 | -51.3 | 170.7 | -77.4 | 179.1 | 173.2 | -170.5 | 0 | 111.8 | K299 N300 F301 E305 K306 Q307 | K299-K303 WeakPolarHBondContact O-CG 3.17Å; K299-K303 PolarHBondContact O-N 3.43Å; K299-K303 VanDerWaalsContact O-N 3.16Å; N300-K303 WeakPolarHBondContact O-CB 3.34Å; N300-K303 PolarHBondContact O-N 2.83Å; F301-K303 VanDerWaalsContact C-N 3.27Å; F301-K303 PolarHBondContact O-N 2.85Å; K303-E305 VanDerWaalsContact C-N 3.33Å; K303-E305 PolarHBondContact O-N 2.83Å; K303-K306 CarbonylContact O-C 3.55Å; K303-K306 WeakPolarHBondContact O-CA 3.36Å; K303-K306 WeakPolarHBondContact O-CB 3.32Å; K303-K306 PolarHBondContact O-N 3.17Å; K303-K306 VanDerWaalsContact O-N 3.09Å; K303-Q307 PolarHBondContact O-N 3.15Å; K303-Q307 PolarHBondContact O-OE1 3.18Å |
| 304 | A | 88.3 | Confident | 87.1 | Confident | 54 Ų | 54 | 109.7 Ų | 109.7 | 45% | 0.446 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | N300 F301 K306 Q307 R308 | N300-A304 PolarHBondContact O-N 3.26Å; F301-A304 PolarHBondContact O-N 3.15Å; A304-K306 VanDerWaalsContact C-N 3.33Å; A304-K306 PolarHBondContact O-N 3.39Å; A304-Q307 PolarHBondContact O-N 3.34Å; A304-R308 WeakPolarHBondContact O-CB 3.4Å; A304-R308 PolarHBondContact O-N 2.68Å |
| 305 | E | 89.2 | Confident | 88.4 | Confident | 50 Ų | 50 | 109.4 Ų | 109.4 | 23% | 0.234 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -57.3 | -44.8 | 172 | -172.9 | 59.2 | -115.8 | 0 | 0 | 111.3 | F301 K303 R308 L309 | F301-E305 VanDerWaalsContact O-CB 3.27Å; F301-E305 WeakPolarHBondContact O-CB 3.15Å; F301-E305 PolarHBondContact O-N 2.67Å; K303-E305 VanDerWaalsContact C-N 3.33Å; K303-E305 PolarHBondContact O-N 2.83Å; E305-R308 VanDerWaalsContact CD-NH2 3.26Å; E305-R308 WeakPolarHBondContact O-CB 3.48Å; E305-R308 PolarHBondContact O-N 2.85Å; E305-R308 IonicContact OE1-CZ 3.06Å; E305-R308 VanDerWaalsContact OE1-CZ 3.31Å; E305-R308 IonicContact OE1-NE 2.79Å; E305-R308 PolarHBondContact OE1-NE 2.78Å; E305-R308 VanDerWaalsContact OE1-NE 3.14Å; E305-R308 IonicContact OE1-NH2 3.31Å; E305-R308 PolarHBondContact OE1-NH2 3Å; E305-R308 IonicContact OE2-CZ 3.27Å; E305-R308 IonicContact OE2-NE 3.9Å; E305-R308 IonicContact OE2-NH2 3.63Å; E305-R308 PolarHBondContact OE2-NH2 2.75Å; E305-L309 HydrophobicContact CG-CD1 4.46Å; E305-L309 WeakPolarHBondContact O-CG 3.22Å; E305-L309 PolarHBondContact O-N 2.83Å |
| 306 | K | 94.4 | Very high | 89.4 | Confident | 129 Ų | 129 | 109.7 Ų | 109.7 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.8 | -36 | 177 | -172.2 | 174.6 | -178 | 175.5 | 0 | 113.1 | V302 K303 A304 R310 | V302-K306 VanDerWaalsContact O-CB 3.32Å; V302-K306 WeakPolarHBondContact O-CB 3.43Å; V302-K306 PolarHBondContact O-N 3.44Å; V302-K306 VanDerWaalsContact O-N 3.15Å; K303-K306 CarbonylContact O-C 3.55Å; K303-K306 WeakPolarHBondContact O-CA 3.36Å; K303-K306 WeakPolarHBondContact O-CB 3.32Å; K303-K306 PolarHBondContact O-N 3.17Å; K303-K306 VanDerWaalsContact O-N 3.09Å; A304-K306 VanDerWaalsContact C-N 3.33Å; A304-K306 PolarHBondContact O-N 3.39Å; K306-R310 WeakPolarHBondContact O-CD 3.4Å; K306-R310 VanDerWaalsContact O-CG 3.27Å; K306-R310 WeakPolarHBondContact O-CG 3.33Å; K306-R310 PolarHBondContact O-N 2.81Å; K306-R310 VanDerWaalsContact O-N 3.16Å |
| 307 | Q | 92.8 | Very high | 90.6 | Very high | 79 Ų | 79 | 111 Ų | 111 | 37% | 0.369 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 171.7 | -79.5 | 161 | -61.8 | 0 | 0 | 111 | E52 K303 A304 L309 R310 A311 | E52-Q307 PolarHBondContact OE2-NE2 3.21Å; K303-Q307 PolarHBondContact O-N 3.15Å; K303-Q307 PolarHBondContact O-OE1 3.18Å; A304-Q307 PolarHBondContact O-N 3.34Å; Q307-L309 PolarHBondContact O-N 3.44Å; Q307-R310 WeakPolarHBondContact O-CB 3.41Å; Q307-R310 PolarHBondContact O-N 2.89Å; Q307-R310 VanDerWaalsContact O-N 3.12Å; Q307-A311 PolarHBondContact O-N 2.86Å |
| 308 | R | 96.8 | Very high | 91.5 | Very high | 150 Ų | 150 | 109.4 Ų | 109.4 | 57% | 0.566 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -53.9 | -51.1 | 174.8 | -178 | 176.1 | 79.5 | 147.2 | -0.2 | 111.9 | A304 E305 R310 A311 E312 | A304-R308 WeakPolarHBondContact O-CB 3.4Å; A304-R308 PolarHBondContact O-N 2.68Å; E305-R308 VanDerWaalsContact CD-NH2 3.26Å; E305-R308 WeakPolarHBondContact O-CB 3.48Å; E305-R308 PolarHBondContact O-N 2.85Å; E305-R308 IonicContact OE1-CZ 3.06Å; E305-R308 VanDerWaalsContact OE1-CZ 3.31Å; E305-R308 IonicContact OE1-NE 2.79Å; E305-R308 PolarHBondContact OE1-NE 2.78Å; E305-R308 VanDerWaalsContact OE1-NE 3.14Å; E305-R308 IonicContact OE1-NH2 3.31Å; E305-R308 PolarHBondContact OE1-NH2 3Å; E305-R308 IonicContact OE2-CZ 3.27Å; E305-R308 IonicContact OE2-NE 3.9Å; E305-R308 IonicContact OE2-NH2 3.63Å; E305-R308 PolarHBondContact OE2-NH2 2.75Å; R308-R310 VanDerWaalsContact C-N 3.32Å; R308-R310 PolarHBondContact O-N 2.76Å; R308-A311 PolarHBondContact O-N 3.42Å; R308-E312 PolarHBondContact O-N 2.86Å |
| 309 | L | 95.1 | Very high | 92.2 | Very high | 97 Ų | 97 | 109.8 Ų | 109.8 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -31.8 | 178.7 | -68.8 | 169 | 0 | 0 | 0 | 113 | E305 Q307 K313 | E305-L309 HydrophobicContact CG-CD1 4.46Å; E305-L309 WeakPolarHBondContact O-CG 3.22Å; E305-L309 PolarHBondContact O-N 2.83Å; Q307-L309 PolarHBondContact O-N 3.44Å; L309-K313 VanDerWaalsContact O-CB 3.29Å; L309-K313 WeakPolarHBondContact O-CB 3.19Å; L309-K313 PolarHBondContact O-N 2.89Å |
| 310 | R | 94.6 | Very high | 92.8 | Very high | 150 Ų | 150 | 107 Ų | 107 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.3 | -46 | 172.2 | -77.4 | 168 | 163.6 | -167 | -6.9 | 111.9 | K306 Q307 R308 K313 K314 | K306-R310 WeakPolarHBondContact O-CD 3.4Å; K306-R310 VanDerWaalsContact O-CG 3.27Å; K306-R310 WeakPolarHBondContact O-CG 3.33Å; K306-R310 PolarHBondContact O-N 2.81Å; K306-R310 VanDerWaalsContact O-N 3.16Å; Q307-R310 WeakPolarHBondContact O-CB 3.41Å; Q307-R310 PolarHBondContact O-N 2.89Å; Q307-R310 VanDerWaalsContact O-N 3.12Å; R308-R310 VanDerWaalsContact C-N 3.32Å; R308-R310 PolarHBondContact O-N 2.76Å; R310-K313 PolarHBondContact O-N 2.61Å; R310-K314 PolarHBondContact O-N 2.85Å |
| 311 | A | 92.8 | Very high | 93.2 | Very high | 60 Ų | 60 | 109.4 Ų | 109.4 | 50% | 0.496 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q307 R308 K313 K314 Q315 | Q307-A311 PolarHBondContact O-N 2.86Å; R308-A311 PolarHBondContact O-N 3.42Å; A311-K313 PolarHBondContact O-N 3.36Å; A311-K314 WeakPolarHBondContact O-CB 3.48Å; A311-K314 PolarHBondContact O-N 3.39Å; A311-K314 VanDerWaalsContact O-N 3.16Å; A311-Q315 PolarHBondContact O-N 3.17Å |
| 312 | E | 93.5 | Very high | 93.5 | Very high | 75 Ų | 75 | 106.6 Ų | 106.6 | 35% | 0.35 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 174.3 | -179.6 | 165 | -157.1 | 0 | 0 | 111.5 | R308 K314 Q315 R316 | R308-E312 PolarHBondContact O-N 2.86Å; E312-K314 VanDerWaalsContact C-N 3.28Å; E312-K314 PolarHBondContact O-N 3.1Å; E312-Q315 CarbonylContact O-C 3.59Å; E312-Q315 WeakPolarHBondContact O-CB 3.45Å; E312-Q315 PolarHBondContact O-N 3.23Å; E312-Q315 VanDerWaalsContact O-N 3.09Å; E312-R316 HydrophobicContact CG-CG 4.08Å; E312-R316 WeakPolarHBondContact O-CG 3.45Å; E312-R316 PolarHBondContact O-N 3.21Å; E312-R316 IonicContact OE1-CZ 3.5Å; E312-R316 VanDerWaalsContact OE1-CZ 3.27Å; E312-R316 IonicContact OE1-NE 3.58Å; E312-R316 PolarHBondContact OE1-NE 2.65Å; E312-R316 IonicContact OE1-NH2 2.68Å; E312-R316 PolarHBondContact OE1-NH2 2.66Å |
| 313 | K | 96.3 | Very high | 93.9 | Very high | 165 Ų | 165 | 107.1 Ų | 107.1 | 72% | 0.717 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.6 | -35.4 | 175 | -171.4 | 171.5 | -176.9 | 172.8 | 0 | 112.5 | L309 R310 A311 K317 | L309-K313 VanDerWaalsContact O-CB 3.29Å; L309-K313 WeakPolarHBondContact O-CB 3.19Å; L309-K313 PolarHBondContact O-N 2.89Å; R310-K313 PolarHBondContact O-N 2.61Å; A311-K313 PolarHBondContact O-N 3.36Å; K313-K317 VanDerWaalsContact O-CB 3.26Å; K313-K317 WeakPolarHBondContact O-CB 3.24Å; K313-K317 PolarHBondContact O-N 3.44Å; K313-K317 VanDerWaalsContact O-N 3.17Å |
| 314 | K | 92.2 | Very high | 94.1 | Very high | 166 Ų | 166 | 107.2 Ų | 107.2 | 72% | 0.722 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 172.4 | -168.3 | 176.8 | 179.5 | 179.5 | 0 | 110.5 | R310 A311 E312 K317 A318 | R310-K314 PolarHBondContact O-N 2.85Å; A311-K314 WeakPolarHBondContact O-CB 3.48Å; A311-K314 PolarHBondContact O-N 3.39Å; A311-K314 VanDerWaalsContact O-N 3.16Å; E312-K314 VanDerWaalsContact C-N 3.28Å; E312-K314 PolarHBondContact O-N 3.1Å; K314-K317 PolarHBondContact O-N 2.86Å; K314-A318 PolarHBondContact O-N 2.94Å; K314-A318 VanDerWaalsContact O-N 3.12Å |
| 315 | Q | 96.2 | Very high | 94.5 | Very high | 99 Ų | 99 | 110.7 Ų | 110.7 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -55.4 | 176.2 | -177.5 | -175.1 | -25.5 | 0 | 0 | 112.5 | A311 E312 K317 A318 E319 | A311-Q315 PolarHBondContact O-N 3.17Å; E312-Q315 CarbonylContact O-C 3.59Å; E312-Q315 WeakPolarHBondContact O-CB 3.45Å; E312-Q315 PolarHBondContact O-N 3.23Å; E312-Q315 VanDerWaalsContact O-N 3.09Å; Q315-K317 PolarHBondContact O-N 2.73Å; Q315-A318 CarbonylContact O-C 3.53Å; Q315-A318 WeakPolarHBondContact O-CA 3.45Å; Q315-A318 WeakPolarHBondContact O-CB 3.39Å; Q315-A318 PolarHBondContact O-N 3.13Å; Q315-E319 HydrophobicContact CG-CG 4.39Å; Q315-E319 PolarHBondContact NE2-OE1 2.91Å; Q315-E319 PolarHBondContact O-N 3.35Å |
| 316 | R | 93.1 | Very high | 94.7 | Very high | 140 Ų | 140 | 113.5 Ų | 113.5 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.8 | -35.5 | 179.5 | -56.5 | -56.7 | -169.7 | 106.6 | 5.9 | 111.3 | E312 A318 E319 V320 | E312-R316 HydrophobicContact CG-CG 4.08Å; E312-R316 WeakPolarHBondContact O-CG 3.45Å; E312-R316 PolarHBondContact O-N 3.21Å; E312-R316 IonicContact OE1-CZ 3.5Å; E312-R316 VanDerWaalsContact OE1-CZ 3.27Å; E312-R316 IonicContact OE1-NE 3.58Å; E312-R316 PolarHBondContact OE1-NE 2.65Å; E312-R316 IonicContact OE1-NH2 2.68Å; E312-R316 PolarHBondContact OE1-NH2 2.66Å; R316-A318 VanDerWaalsContact C-N 3.34Å; R316-A318 PolarHBondContact O-N 3.34Å; R316-E319 WeakPolarHBondContact CD-OE2 3.28Å; R316-E319 PolarHBondContact O-N 3.22Å; R316-V320 WeakPolarHBondContact O-CB 3.41Å; R316-V320 VanDerWaalsContact O-CG2 3.3Å; R316-V320 WeakPolarHBondContact O-CG2 3.18Å; R316-V320 PolarHBondContact O-N 3.15Å |
| 317 | K | 95.4 | Very high | 94.7 | Very high | 149 Ų | 149 | 111.8 Ų | 111.8 | 65% | 0.648 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68 | -29.3 | 174.6 | -168.7 | 173.6 | -175.9 | 178.8 | 0 | 112.9 | K313 K314 Q315 K321 | K313-K317 VanDerWaalsContact O-CB 3.26Å; K313-K317 WeakPolarHBondContact O-CB 3.24Å; K313-K317 PolarHBondContact O-N 3.44Å; K313-K317 VanDerWaalsContact O-N 3.17Å; K314-K317 PolarHBondContact O-N 2.86Å; Q315-K317 PolarHBondContact O-N 2.73Å; K317-K321 WeakPolarHBondContact O-CG 3.17Å; K317-K321 PolarHBondContact O-N 3.27Å |
| 318 | A | 93.9 | Very high | 94.7 | Very high | 56 Ų | 56 | 114.6 Ų | 114.6 | 46% | 0.463 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -75.3 | -43.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K314 Q315 R316 V320 K321 E322 | K314-A318 PolarHBondContact O-N 2.94Å; K314-A318 VanDerWaalsContact O-N 3.12Å; Q315-A318 CarbonylContact O-C 3.53Å; Q315-A318 WeakPolarHBondContact O-CA 3.45Å; Q315-A318 WeakPolarHBondContact O-CB 3.39Å; Q315-A318 PolarHBondContact O-N 3.13Å; R316-A318 VanDerWaalsContact C-N 3.34Å; R316-A318 PolarHBondContact O-N 3.34Å; A318-V320 PolarHBondContact O-N 3.42Å; A318-K321 WeakPolarHBondContact O-CB 3.36Å; A318-K321 PolarHBondContact O-N 2.98Å; A318-K321 VanDerWaalsContact O-N 3.16Å; A318-E322 PolarHBondContact O-N 2.84Å |
| 319 | E | 95 | Very high | 94.6 | Very high | 78 Ų | 78 | 112.3 Ų | 112.3 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 175.4 | -68.4 | 170.3 | 169.7 | 0 | 0 | 111.4 | Q315 R316 K321 E322 L323 | Q315-E319 HydrophobicContact CG-CG 4.39Å; Q315-E319 PolarHBondContact NE2-OE1 2.91Å; Q315-E319 PolarHBondContact O-N 3.35Å; R316-E319 WeakPolarHBondContact CD-OE2 3.28Å; R316-E319 PolarHBondContact O-N 3.22Å; E319-K321 PolarHBondContact O-N 3.45Å; E319-E322 PolarHBondContact O-N 3.29Å; E319-E322 VanDerWaalsContact O-N 3.16Å; E319-L323 WeakPolarHBondContact O-CB 3.19Å; E319-L323 WeakPolarHBondContact O-CG 3.5Å; E319-L323 PolarHBondContact O-N 3.43Å |
| 320 | V | 95.9 | Very high | 94.4 | Very high | 93 Ų | 93 | 113.4 Ų | 113.4 | 56% | 0.564 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.4 | -37.2 | 174.7 | 169.2 | 0 | 0 | 0 | 0 | 112.2 | R316 A318 E322 K324 | R316-V320 WeakPolarHBondContact O-CB 3.41Å; R316-V320 VanDerWaalsContact O-CG2 3.3Å; R316-V320 WeakPolarHBondContact O-CG2 3.18Å; R316-V320 PolarHBondContact O-N 3.15Å; A318-V320 PolarHBondContact O-N 3.42Å; V320-E322 VanDerWaalsContact C-N 3.35Å; V320-K324 VanDerWaalsContact O-CB 3.26Å; V320-K324 WeakPolarHBondContact O-CB 3.45Å; V320-K324 PolarHBondContact O-N 3.32Å |
| 321 | K | 94.9 | Very high | 94.2 | Very high | 140 Ų | 140 | 114.7 Ų | 114.7 | 61% | 0.609 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.6 | -43.7 | 172.3 | -82.3 | 176.8 | 175.7 | -173.1 | 0 | 111.1 | K317 A318 E319 K324 K325 | K317-K321 WeakPolarHBondContact O-CG 3.17Å; K317-K321 PolarHBondContact O-N 3.27Å; A318-K321 WeakPolarHBondContact O-CB 3.36Å; A318-K321 PolarHBondContact O-N 2.98Å; A318-K321 VanDerWaalsContact O-N 3.16Å; E319-K321 PolarHBondContact O-N 3.45Å; K321-K324 PolarHBondContact O-N 3.11Å; K321-K325 PolarHBondContact O-N 2.87Å |
| 322 | E | 95.9 | Very high | 94.2 | Very high | 73 Ų | 73 | 119.4 Ų | 119.4 | 34% | 0.341 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.6 | -44.7 | -179.2 | -170.5 | 52.4 | -135.8 | 0 | 0 | 112.2 | A318 E319 V320 K324 K325 Q326 | A318-E322 PolarHBondContact O-N 2.84Å; E319-E322 PolarHBondContact O-N 3.29Å; E319-E322 VanDerWaalsContact O-N 3.16Å; V320-E322 VanDerWaalsContact C-N 3.35Å; E322-K324 PolarHBondContact O-N 2.88Å; E322-K325 CarbonylContact O-C 3.52Å; E322-K325 WeakPolarHBondContact O-CA 3.27Å; E322-K325 WeakPolarHBondContact O-CB 3.4Å; E322-K325 PolarHBondContact O-N 2.9Å; E322-K325 WeakPolarHBondContact OE2-CD 3.22Å; E322-K325 VanDerWaalsContact OE2-CE 3.26Å; E322-K325 WeakPolarHBondContact OE2-CE 3.23Å; E322-K325 IonicContact OE2-NZ 3.77Å; E322-K325 PolarHBondContact OE2-NZ 2.91Å; E322-Q326 PolarHBondContact O-N 2.83Å |
| 323 | L | 94.8 | Very high | 93.9 | Very high | 108 Ų | 108 | 119.7 Ų | 119.7 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -56.8 | -37.8 | 171 | -70.5 | 170.7 | 0 | 0 | 0 | 111.5 | E319 Q326 L327 | E319-L323 WeakPolarHBondContact O-CB 3.19Å; E319-L323 WeakPolarHBondContact O-CG 3.5Å; E319-L323 PolarHBondContact O-N 3.43Å; L323-Q326 PolarHBondContact O-N 2.7Å; L323-L327 VanDerWaalsContact O-CB 3.31Å; L323-L327 WeakPolarHBondContact O-CB 3.24Å; L323-L327 PolarHBondContact O-N 3.28Å |
| 324 | K | 94.4 | Very high | 93.2 | Very high | 140 Ų | 140 | 117.3 Ų | 117.3 | 61% | 0.609 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.2 | -28.9 | 174.1 | -164.2 | 167.4 | -173.9 | 167.8 | 0 | 113 | V320 K321 E322 K328 | V320-K324 VanDerWaalsContact O-CB 3.26Å; V320-K324 WeakPolarHBondContact O-CB 3.45Å; V320-K324 PolarHBondContact O-N 3.32Å; K321-K324 PolarHBondContact O-N 3.11Å; E322-K324 PolarHBondContact O-N 2.88Å; K324-K328 WeakPolarHBondContact O-CB 3.37Å; K324-K328 VanDerWaalsContact O-CG 3.32Å; K324-K328 WeakPolarHBondContact O-CG 3.12Å; K324-K328 PolarHBondContact O-N 3.45Å |
| 325 | K | 97.3 | Very high | 92.8 | Very high | 128 Ų | 128 | 114.9 Ų | 114.9 | 56% | 0.557 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.6 | -48.9 | 167.8 | -64 | -175.4 | -150.6 | 154.3 | 0 | 111 | K321 E322 L327 K328 L329 | K321-K325 PolarHBondContact O-N 2.87Å; E322-K325 CarbonylContact O-C 3.52Å; E322-K325 WeakPolarHBondContact O-CA 3.27Å; E322-K325 WeakPolarHBondContact O-CB 3.4Å; E322-K325 PolarHBondContact O-N 2.9Å; E322-K325 WeakPolarHBondContact OE2-CD 3.22Å; E322-K325 VanDerWaalsContact OE2-CE 3.26Å; E322-K325 WeakPolarHBondContact OE2-CE 3.23Å; E322-K325 IonicContact OE2-NZ 3.77Å; E322-K325 PolarHBondContact OE2-NZ 2.91Å; K325-L327 VanDerWaalsContact C-N 3.34Å; K325-L327 PolarHBondContact O-N 2.91Å; K325-K328 CarbonylContact O-C 3.58Å; K325-K328 WeakPolarHBondContact O-CB 3.39Å; K325-K328 PolarHBondContact O-N 3.39Å; K325-K328 VanDerWaalsContact O-N 3.15Å; K325-L329 WeakPolarHBondContact O-CB 3.16Å; K325-L329 PolarHBondContact O-N 3.03Å |
| 326 | Q | 93.9 | Very high | 91.6 | Very high | 108 Ų | 108 | 118 Ų | 118 | 51% | 0.505 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | -179.5 | -68.2 | -175.5 | 10.8 | 0 | 0 | 111.7 | E322 L323 L329 H330 | E322-Q326 PolarHBondContact O-N 2.83Å; L323-Q326 PolarHBondContact O-N 2.7Å; Q326-L329 PolarHBondContact O-N 3.45Å; Q326-H330 WeakPolarHBondContact O-CB 3.22Å; Q326-H330 PolarHBondContact O-N 3.29Å |
| 327 | L | 93.3 | Very high | 90.6 | Very high | 93 Ų | 93 | 115.4 Ų | 115.4 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 174.4 | -172.2 | 64.8 | 0 | 0 | 0 | 112.2 | L323 K325 H330 R331 | L323-L327 VanDerWaalsContact O-CB 3.31Å; L323-L327 WeakPolarHBondContact O-CB 3.24Å; L323-L327 PolarHBondContact O-N 3.28Å; K325-L327 VanDerWaalsContact C-N 3.34Å; K325-L327 PolarHBondContact O-N 2.91Å; L327-H330 PolarHBondContact O-N 3.02Å; L327-R331 WeakPolarHBondContact O-CB 3.4Å; L327-R331 WeakPolarHBondContact O-CG 3.36Å; L327-R331 PolarHBondContact O-N 2.85Å |
| 328 | K | 94 | Very high | 89.3 | Confident | 139 Ų | 139 | 111.1 Ų | 111.1 | 60% | 0.604 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -40.7 | 171.4 | -82 | -177.8 | 174.3 | -169.7 | 0 | 112 | K324 K325 K332 | K324-K328 WeakPolarHBondContact O-CB 3.37Å; K324-K328 VanDerWaalsContact O-CG 3.32Å; K324-K328 WeakPolarHBondContact O-CG 3.12Å; K324-K328 PolarHBondContact O-N 3.45Å; K325-K328 CarbonylContact O-C 3.58Å; K325-K328 WeakPolarHBondContact O-CB 3.39Å; K325-K328 PolarHBondContact O-N 3.39Å; K325-K328 VanDerWaalsContact O-N 3.15Å; K328-K332 WeakPolarHBondContact O-CG 3.29Å; K328-K332 PolarHBondContact O-N 2.85Å |
| 329 | L | 94.6 | Very high | 88 | Confident | 102 Ų | 102 | 114 Ų | 114 | 53% | 0.534 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 176.1 | -179.9 | 61.2 | 0 | 0 | 0 | 111.1 | K325 Q326 R331 K332 I333 | K325-L329 WeakPolarHBondContact O-CB 3.16Å; K325-L329 PolarHBondContact O-N 3.03Å; Q326-L329 PolarHBondContact O-N 3.45Å; L329-R331 PolarHBondContact O-N 3.41Å; L329-K332 WeakPolarHBondContact O-CB 3.5Å; L329-K332 PolarHBondContact O-N 3.22Å; L329-K332 VanDerWaalsContact O-N 3.13Å; L329-I333 HydrophobicContact CD1-CD1 4.11Å; L329-I333 HydrophobicContact CD1-CG1 4.35Å; L329-I333 HydrophobicContact CG-CD1 3.88Å; L329-I333 WeakPolarHBondContact O-CG1 3.37Å; L329-I333 PolarHBondContact O-N 2.99Å |
| 330 | H | 89.6 | Confident | 86 | Confident | 120 Ų | 120 | 115.6 Ų | 115.6 | 56% | 0.556 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.9 | -41.9 | 176.2 | -168.2 | -96 | 0 | 0 | 0 | 111.8 | Q326 L327 K332 I333 H334 | Q326-H330 WeakPolarHBondContact O-CB 3.22Å; Q326-H330 PolarHBondContact O-N 3.29Å; L327-H330 PolarHBondContact O-N 3.02Å; H330-K332 PolarHBondContact O-N 2.82Å; H330-I333 PolarHBondContact O-N 3.42Å; H330-H334 WeakPolarHBondContact O-CB 3.23Å; H330-H334 PolarHBondContact O-N 3.5Å |
| 331 | R | 92.2 | Very high | 83.6 | Confident | 177 Ų | 177 | 113.9 Ų | 113.9 | 67% | 0.668 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.5 | -41.8 | 171.6 | -75.6 | -178.7 | -178.4 | -161.8 | 0.7 | 112 | L327 L329 H334 L335 | L327-R331 WeakPolarHBondContact O-CB 3.4Å; L327-R331 WeakPolarHBondContact O-CG 3.36Å; L327-R331 PolarHBondContact O-N 2.85Å; L329-R331 PolarHBondContact O-N 3.41Å; R331-H334 PolarHBondContact O-N 2.8Å; R331-L335 WeakPolarHBondContact O-CB 3.2Å; R331-L335 PolarHBondContact O-N 2.66Å |
| 332 | K | 91.1 | Very high | 81.3 | Confident | 158 Ų | 158 | 114.8 Ų | 114.8 | 69% | 0.687 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.2 | -44.8 | 174.7 | -77.7 | -174.4 | 174.3 | -168.8 | 0 | 112.8 | K328 L329 H330 L335 W336 | K328-K332 WeakPolarHBondContact O-CG 3.29Å; K328-K332 PolarHBondContact O-N 2.85Å; L329-K332 WeakPolarHBondContact O-CB 3.5Å; L329-K332 PolarHBondContact O-N 3.22Å; L329-K332 VanDerWaalsContact O-N 3.13Å; H330-K332 PolarHBondContact O-N 2.82Å; K332-L335 PolarHBondContact O-N 3.21Å; K332-W336 PolarHBondContact O-N 3.19Å |
| 333 | I | 87 | Confident | 78.9 | Confident | 82 Ų | 82 | 120.1 Ų | 120.1 | 42% | 0.421 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.3 | -44.3 | 176.9 | -68.9 | 166.3 | 0 | 0 | 0 | 110.3 | L329 H330 L335 W336 N337 | L329-I333 HydrophobicContact CD1-CD1 4.11Å; L329-I333 HydrophobicContact CD1-CG1 4.35Å; L329-I333 HydrophobicContact CG-CD1 3.88Å; L329-I333 WeakPolarHBondContact O-CG1 3.37Å; L329-I333 PolarHBondContact O-N 2.99Å; H330-I333 PolarHBondContact O-N 3.42Å; I333-L335 PolarHBondContact O-N 3.35Å; I333-W336 PolarHBondContact O-N 3.48Å; I333-N337 WeakPolarHBondContact O-CB 3.11Å; I333-N337 PolarHBondContact O-N 2.9Å; I333-N337 PolarHBondContact O-ND2 2.86Å |
| 334 | H | 83.5 | Confident | 76 | Confident | 114 Ų | 114 | 119.9 Ų | 119.9 | 53% | 0.528 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.1 | -46 | 174.9 | -170.7 | -67.7 | 0 | 0 | 0 | 111.4 | H330 R331 W336 N337 S338 | H330-H334 WeakPolarHBondContact O-CB 3.23Å; H330-H334 PolarHBondContact O-N 3.5Å; R331-H334 PolarHBondContact O-N 2.8Å; H334-W336 VanDerWaalsContact C-N 3.34Å; H334-W336 PolarHBondContact O-N 3.29Å; H334-N337 PolarHBondContact O-N 2.7Å; H334-S338 PolarHBondContact CE1-OG 3.36Å; H334-S338 PolarHBondContact ND1-OG 3.45Å; H334-S338 WeakPolarHBondContact O-CB 3.22Å; H334-S338 PolarHBondContact O-N 2.75Å; H334-S338 PolarHBondContact O-OG 2.8Å |
| 335 | L | 83.1 | Confident | 73.7 | Confident | 115 Ų | 115 | 119 Ų | 119 | 60% | 0.602 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -59.7 | -44.1 | 178.3 | -145.6 | 79.3 | 0 | 0 | 0 | 111.9 | R331 K332 I333 S338 I339 | R331-L335 WeakPolarHBondContact O-CB 3.2Å; R331-L335 PolarHBondContact O-N 2.66Å; K332-L335 PolarHBondContact O-N 3.21Å; I333-L335 PolarHBondContact O-N 3.35Å; L335-S338 PolarHBondContact O-N 2.72Å; L335-I339 WeakPolarHBondContact O-CG1 3.08Å; L335-I339 PolarHBondContact O-N 2.65Å |
| 336 | W | 69.8 | Low | 70.7 | Confident | 164 Ų | 164 | 124.3 Ų | 124.3 | 62% | 0.621 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.6 | -44.6 | 177 | -168.4 | 78.4 | 0 | 0 | 0 | 111.8 | K332 I333 H334 S338 I339 H340 | K332-W336 PolarHBondContact O-N 3.19Å; I333-W336 PolarHBondContact O-N 3.48Å; H334-W336 VanDerWaalsContact C-N 3.34Å; H334-W336 PolarHBondContact O-N 3.29Å; W336-S338 VanDerWaalsContact C-N 3.35Å; W336-S338 PolarHBondContact O-N 3.19Å; W336-I339 PolarHBondContact O-N 3.03Å; W336-H340 AromaticContact CD2-CD2 3.71Å; W336-H340 AromaticContact CE2-CD2 3.54Å; W336-H340 AromaticContact CE2-NE2 3.34Å; W336-H340 VanDerWaalsContact CE2-NE2 3.34Å; W336-H340 AromaticContact CZ2-CD2 3.75Å; W336-H340 AromaticContact CZ2-NE2 3.45Å; W336-H340 WeakPolarHBondContact CZ2-NE2 3.33Å; W336-H340 AromaticContact NE1-CD2 3.92Å; W336-H340 AromaticContact NE1-NE2 3.45Å; W336-H340 PolarHBondContact NE1-NE2 2.82Å; W336-H340 PolarHBondContact O-CD2 2.95Å; W336-H340 VanDerWaalsContact O-CD2 3.28Å; W336-H340 PolarHBondContact O-N 3.31Å; W336-H340 VanDerWaalsContact O-N 3.15Å |
| 337 | N | 73.1 | Confident | 67.8 | Low | 87 Ų | 87 | 124.9 Ų | 124.9 | 47% | 0.465 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.7 | -38.3 | 174.3 | -69 | -13.8 | 0 | 0 | 0 | 112.3 | I333 H334 H340 G341 | I333-N337 WeakPolarHBondContact O-CB 3.11Å; I333-N337 PolarHBondContact O-N 2.9Å; I333-N337 PolarHBondContact O-ND2 2.86Å; H334-N337 PolarHBondContact O-N 2.7Å; N337-H340 PolarHBondContact O-N 2.91Å; N337-G341 PolarHBondContact O-N 2.87Å |
| 338 | S | 68.8 | Low | 65.6 | Low | 59 Ų | 59 | 126.6 Ų | 126.6 | 41% | 0.413 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -65.1 | -37.6 | 175.9 | -60.2 | 0 | 0 | 0 | 0 | 112.5 | H334 L335 W336 G341 | H334-S338 PolarHBondContact CE1-OG 3.36Å; H334-S338 PolarHBondContact ND1-OG 3.45Å; H334-S338 WeakPolarHBondContact O-CB 3.22Å; H334-S338 PolarHBondContact O-N 2.75Å; H334-S338 PolarHBondContact O-OG 2.8Å; L335-S338 PolarHBondContact O-N 2.72Å; W336-S338 VanDerWaalsContact C-N 3.35Å; W336-S338 PolarHBondContact O-N 3.19Å; S338-G341 PolarHBondContact O-N 2.95Å |
| 339 | I | 65 | Low | 62.9 | Low | 117 Ų | 117 | 128.7 Ų | 128.7 | 60% | 0.6 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67 | -40.4 | 177 | -68.9 | 162.6 | 0 | 0 | 0 | 111 | L335 W336 | L335-I339 WeakPolarHBondContact O-CG1 3.08Å; L335-I339 PolarHBondContact O-N 2.65Å; W336-I339 PolarHBondContact O-N 3.03Å |
| 340 | H | 55 | Low | 59.8 | Low | 111 Ų | 111 | 127.2 Ų | 127.2 | 51% | 0.514 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -77.1 | -20.1 | 175.4 | -71.4 | -64.1 | 0 | 0 | 0 | 114 | W336 N337 L342 | W336-H340 AromaticContact CD2-CD2 3.71Å; W336-H340 AromaticContact CE2-CD2 3.54Å; W336-H340 AromaticContact CE2-NE2 3.34Å; W336-H340 VanDerWaalsContact CE2-NE2 3.34Å; W336-H340 AromaticContact CZ2-CD2 3.75Å; W336-H340 AromaticContact CZ2-NE2 3.45Å; W336-H340 WeakPolarHBondContact CZ2-NE2 3.33Å; W336-H340 AromaticContact NE1-CD2 3.92Å; W336-H340 AromaticContact NE1-NE2 3.45Å; W336-H340 PolarHBondContact NE1-NE2 2.82Å; W336-H340 PolarHBondContact O-CD2 2.95Å; W336-H340 VanDerWaalsContact O-CD2 3.28Å; W336-H340 PolarHBondContact O-N 3.31Å; W336-H340 VanDerWaalsContact O-N 3.15Å; N337-H340 PolarHBondContact O-N 2.91Å; H340-L342 PolarHBondContact O-N 2.98Å |
| 341 | G | 44.1 | Very low | 57.3 | Low | 57 Ų | 57 | 133.5 Ų | 133.5 | 59% | 0.588 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -13.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | N337 S338 | N337-G341 PolarHBondContact O-N 2.87Å; S338-G341 PolarHBondContact O-N 2.95Å |
| 342 | L | 46.9 | Very low | 55.5 | Low | 158 Ų | 158 | 130.1 Ų | 130.1 | 83% | 0.827 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 2 | -177.8 | -73.4 | 172.2 | 0 | 0 | 0 | 114.9 | H340 | H340-L342 PolarHBondContact O-N 2.98Š|
| 343 | Q | 45.4 | Very low | 52.7 | Low | 185 Ų | 185 | 131.5 Ų | 131.5 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | -108.8 | 75.6 | 173.3 | -66.5 | -166.4 | 14.2 | 0 | 0 | 112.2 | ||||
| 344 | S | 33.8 | Very low | 50.1 | Low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | -123.8 | 119.8 | 164.3 | -168.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 345 | P | 45.8 | Very low | 47.6 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -67 | 137.8 | -173.9 | -22.4 | 33.8 | 0 | 0 | 0 | 113.5 | S347 | P345-S347 PolarHBondContact O-N 2.81Š|
| 346 | R | 34.2 | Very low | 45.2 | Very low | 240 Ų | 240 | 138.6 Ų | 138.6 | 91% | 0.906 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 131.8 | 167.7 | -74.4 | 179.4 | 173.3 | 154.4 | -2.8 | 110.4 | P348 | R346-P348 WeakPolarHBondContact O-CD 3.48Š|
| 347 | S | 33.3 | Very low | 43.8 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 140.2 | 171.6 | -39.2 | 0 | 0 | 0 | 0 | 111.9 | P345 | P345-S347 PolarHBondContact O-N 2.81Š|
| 348 | P | 47.7 | Very low | 41.8 | Very low | 130 Ų | 130 | 141 Ų | 141 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | trans | -108.1 | 169.5 | 151.7 | -1.2 | 22.8 | 0 | 0 | 0 | 111.7 | R346 | R346-P348 WeakPolarHBondContact O-CD 3.48Š| ||
| 349 | L | 36.9 | Very low | 40.3 | Very low | 183 Ų | 183 | 146 Ų | 146 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | trans | -118 | 139.3 | -169.3 | -170.3 | 76.8 | 0 | 0 | 0 | 110.7 | ||||
| 350 | G | 29.4 | Very low | 38.7 | Very low | 70 Ų | 70 | 146.4 Ų | 146.4 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 134.1 | 94.3 | 153.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 351 | R | 37.4 | Very low | 37.9 | Very low | 252 Ų | 252 | 148.6 Ų | 148.6 | 95% | 0.951 | 82% | 0.822 | S | S | * | * | trans | 62.8 | 163.8 | 149.4 | -87.7 | -158.6 | 166.7 | -173.1 | -3.2 | 121.7 | ||||
| 352 | P | 55.1 | Low | 37.6 | Very low | 107 Ų | 107 | 154.6 Ų | 154.6 | 70% | 0.695 | 84% | 0.837 | S | S | * | * | trans | -125.6 | 161.8 | -165.6 | 43.1 | -29.3 | 0 | 0 | 0 | 116.2 | ||||
| 353 | E | 30.9 | Very low | 37 | Very low | 187 Ų | 187 | 154.4 Ų | 154.4 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -177.9 | 118.4 | 136.9 | -101.6 | 163.3 | -174.3 | 0 | 0 | 106.8 | ||||
| 354 | S | 33.3 | Very low | 36.8 | Very low | 102 Ų | 102 | 151 Ų | 151 | 71% | 0.713 | 83% | 0.83 | S | S | * | * | 97.2 | 117.9 | 78.4 | -168.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 355 | M | 30.3 | Very low | 37.1 | Very low | 180 Ų | 180 | 154.2 Ų | 154.2 | 89% | 0.887 | 84% | 0.838 | S | S | * | * | trans | 45.1 | 109.9 | 167.2 | -62.8 | -165.6 | 177 | 0 | 0 | 120 | ||||
| 356 | L | 34.1 | Very low | 37.4 | Very low | 178 Ų | 178 | 156.5 Ų | 156.5 | 93% | 0.932 | 84% | 0.838 | S | S | * | * | -147.8 | 152.7 | 119.5 | -109.8 | 174.1 | 0 | 0 | 0 | 110.3 | |||||
| 357 | Q | 39.9 | Very low | 37.7 | Very low | 179 Ų | 179 | 151 Ų | 151 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | trans | -91.1 | 143 | -173.1 | -67.3 | 170.5 | -29.4 | 0 | 0 | 111.7 | ||||
| 358 | S | 30.6 | Very low | 38.2 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | trans | -155 | 90 | 166.7 | -77.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 359 | N | 37.9 | Very low | 38.3 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | -77.4 | 119.1 | 169.6 | -74.2 | -25.5 | 0 | 0 | 0 | 109.5 | ||||
| 360 | T | 31.5 | Very low | 38.9 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -153.8 | 114.6 | 159.5 | -74.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 361 | L | 36.5 | Very low | 40.7 | Very low | 158 Ų | 158 | 147.5 Ų | 147.5 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | 50.7 | 98.2 | 157.9 | -58.6 | 173.9 | 0 | 0 | 0 | 118.5 | L363 | L361-L363 PolarHBondContact O-N 2.83Š| ||
| 362 | M | 38 | Very low | 42.7 | Very low | 182 Ų | 182 | 142 Ų | 142 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 120.6 | 147.6 | -66.5 | -96 | 76.7 | 0 | 0 | 109.1 | ||
| 363 | L | 35.7 | Very low | 44 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 136.6 | 156.2 | -83 | 149.5 | 0 | 0 | 0 | 108.2 | L361 L365 | L361-L363 PolarHBondContact O-N 2.83Å; L363-L365 PolarHBondContact O-N 2.84Å |
| 364 | P | 40 | Very low | 46.9 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 126.4 | 170 | 27.5 | -32.4 | 0 | 0 | 0 | 108.4 | Q366 | P364-Q366 PolarHBondContact O-N 2.95Å; P364-Q366 VanDerWaalsContact O-N 3.17Å |
| 365 | L | 40.9 | Very low | 49.8 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 123.4 | 166 | -71.5 | 169.3 | 0 | 0 | 0 | 107.6 | L363 | L363-L365 PolarHBondContact O-N 2.84Š|
| 366 | Q | 51 | Low | 52.9 | Low | 169 Ų | 169 | 126.8 Ų | 126.8 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 142.5 | 170.2 | -83.6 | -166.9 | -18.2 | 0 | 0 | 108.9 | P364 C368 | P364-Q366 PolarHBondContact O-N 2.95Å; P364-Q366 VanDerWaalsContact O-N 3.17Å; Q366-C368 PolarHBondContact O-N 3.03Å |
| 367 | P | 41 | Very low | 55.9 | Low | 125 Ų | 125 | 118.8 Ų | 118.8 | 81% | 0.812 | 68% | 0.684 | S | S | * | * | trans | -56.7 | 106.6 | 163.3 | -19.3 | 31.8 | 0 | 0 | 0 | 107.8 | A369 | P367-A369 PolarHBondContact O-N 3.45Š| ||
| 368 | C | 43.4 | Very low | 58.6 | Low | 115 Ų | 115 | 111.9 Ų | 111.9 | 78% | 0.777 | 66% | 0.658 | S | S | * | * | trans | -54.9 | 132.5 | 175.2 | -67.8 | 0 | 0 | 0 | 0 | 107.9 | Q366 | Q366-C368 PolarHBondContact O-N 3.03Š| ||
| 369 | A | 49.6 | Very low | 61.7 | Low | 84 Ų | 84 | 110.7 Ų | 110.7 | 69% | 0.694 | 64% | 0.638 | S | S | * | * | trans | -49.6 | 130.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | P367 V371 | P367-A369 PolarHBondContact O-N 3.45Å; A369-V371 PolarHBondContact O-N 3.21Å | ||
| 370 | P | 50.8 | Low | 64.5 | Low | 112 Ų | 112 | 105.8 Ų | 105.8 | 73% | 0.727 | 61% | 0.613 | S | S | * | * | trans | -59.8 | 112.5 | -168.9 | 22.6 | -33.3 | 0 | 0 | 0 | 109.5 | M372 | P370-M372 PolarHBondContact O-N 3.49Š| ||
| 371 | V | 66.7 | Low | 67.4 | Low | 117 Ų | 117 | 102.9 Ų | 102.9 | 71% | 0.709 | 59% | 0.593 | S | S | * | * | trans | -62.1 | 102.1 | -175.4 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | A369 N407 | A369-V371 PolarHBondContact O-N 3.21Å; V371-N407 WeakPolarHBondContact CG1-ND2 3.44Å | ||
| 372 | M | 78.9 | Confident | 70.1 | Confident | 136 Ų | 136 | 98.5 Ų | 98.5 | 67% | 0.67 | 57% | 0.568 | S | S | * | * | trans | -58.8 | 128.5 | -172 | -70.4 | -99.5 | 72.9 | 0 | 0 | 110.2 | P370 T374 N407 | P370-M372 PolarHBondContact O-N 3.49Å; M372-T374 PolarHBondContact O-N 2.84Å; M372-T374 PolarHBondContact O-OG1 3.36Å; M372-N407 PolarHBondContact O-ND2 3.3Å | ||
| 373 | P | 83.9 | Confident | 72.6 | Confident | 101 Ų | 101 | 93.2 Ų | 93.2 | 66% | 0.656 | 54% | 0.544 | S | S | * | . | trans | -54.8 | 104.5 | 176.2 | -29.2 | 37.4 | 0 | 0 | 0 | 111.5 | V408 | P373-V408 HydrophobicContact CB-CG2 3.63Š| ||
| 374 | T | 91.1 | Very high | 75.3 | Confident | 73 Ų | 73 | 87.6 Ų | 87.6 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | trans | -111.5 | 111.7 | -174.6 | -57.9 | 0 | 0 | 0 | 0 | 109.2 | M372 G406 N407 | M372-T374 PolarHBondContact O-N 2.84Å; M372-T374 PolarHBondContact O-OG1 3.36Å; T374-G406 CarbonylContact O-C 3.58Å; T374-G406 WeakPolarHBondContact O-CA 3.46Å; T374-N407 PolarHBondContact N-OD1 2.89Å; T374-N407 PolarHBondContact O-N 3.21Å; T374-N407 PolarHBondContact O-OD1 3.21Å | ||
| 375 | L | 94.3 | Very high | 77.9 | Confident | 42 Ų | 42 | 86.3 Ų | 86.3 | 22% | 0.22 | 51% | 0.506 | C | S | . | . | trans | -88.1 | 120.2 | 173.2 | -72.2 | 150.9 | 0 | 0 | 0 | 108.9 | V408 H467 F472 | L375-V408 HydrophobicContact CD2-CB 3.96Å; L375-V408 HydrophobicContact CD2-CG1 4.04Å; L375-V408 HydrophobicContact CG-CB 4.24Å; L375-V408 HydrophobicContact CG-CG2 4.34Å; L375-H467 HydrophobicContact CD1-CB 3.83Å; L375-H467 HydrophobicContact CD2-CB 4.08Å; L375-F472 HydrophobicContact CB-CB 4.3Å; L375-F472 HydrophobicContact CB-CD1 4.26Å; L375-F472 HydrophobicContact CB-CD2 4Å; L375-F472 HydrophobicContact CB-CE2 4.38Å; L375-F472 HydrophobicContact CB-CG 3.94Å; L375-F472 HydrophobicContact CD2-CE1 4.47Å; L375-F472 HydrophobicContact CD2-CZ 4.36Å | ||
| 376 | S | 94.9 | Very high | 80.5 | Confident | 42 Ų | 42 | 81.7 Ų | 81.7 | 29% | 0.294 | 48% | 0.483 | S | S | . | . | trans | -147.3 | 152.8 | 177.8 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | N404 T405 G406 | S376-N404 PolarHBondContact O-OD1 2.82Å; S376-T405 VanDerWaalsContact C-OG1 3.28Å; S376-T405 PolarHBondContact O-N 2.83Å; S376-T405 VanDerWaalsContact O-N 3.16Å; S376-T405 PolarHBondContact OG-OG1 2.64Å; S376-G406 PolarHBondContact O-N 3.32Å; S376-G406 VanDerWaalsContact O-N 3.17Å | ||
| 377 | A | 97 | Very high | 82.4 | Confident | 9 Ų | 9 | 74.9 Ų | 74.9 | 7% | 0.074 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 153.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | M402 K403 T405 W410 L465 F472 P474 | A377-M402 HydrophobicContact CB-CE 4.24Å; A377-K403 CarbonylContact C-O 3.59Å; A377-K403 VanDerWaalsContact CA-O 3.23Å; A377-K403 WeakPolarHBondContact CA-O 3.37Å; A377-T405 VanDerWaalsContact CA-OG1 3.25Å; A377-T405 WeakPolarHBondContact CA-OG1 3.4Å; A377-T405 PolarHBondContact N-OG1 3.47Å; A377-T405 VanDerWaalsContact N-OG1 3.13Å; A377-W410 HydrophobicContact CB-CH2 4.05Å; A377-W410 HydrophobicContact CB-CZ2 3.66Å; A377-L465 HydrophobicContact CB-CD1 3.64Å; A377-F472 HydrophobicContact CB-CD2 4.35Å; A377-F472 HydrophobicContact CB-CE2 4.11Å; A377-P474 WeakPolarHBondContact O-CD 3.25Å |
| 378 | A | 96.5 | Very high | 85.1 | Confident | 34 Ų | 34 | 70.6 Ų | 70.6 | 28% | 0.281 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 148.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110 | M402 K403 T405 | A378-M402 CarbonylContact O-C 3.54Å; A378-M402 VanDerWaalsContact O-CA 3.31Å; A378-M402 WeakPolarHBondContact O-CA 3.38Å; A378-K403 HydrophobicContact CB-CB 4.49Å; A378-K403 PolarHBondContact N-O 3.27Å; A378-K403 PolarHBondContact O-N 2.79Å; A378-T405 HydrophobicContact CB-CG2 3.79Å |
| 379 | F | 96.6 | Very high | 87.6 | Confident | 96 Ų | 96 | 70.2 Ų | 70.2 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 153.9 | 168 | 177.6 | -106.8 | 0 | 0 | 0 | 110.2 | D381 E382 W400 P474 V476 | F379-D381 VanDerWaalsContact CE2-O 3.23Å; F379-D381 WeakPolarHBondContact CE2-O 3.38Å; F379-D381 VanDerWaalsContact CZ-C 3.48Å; F379-E382 HydrophobicContact CE2-CB 4.13Å; F379-E382 HydrophobicContact CE2-CG 4.45Å; F379-E382 HydrophobicContact CZ-CB 4.02Å; F379-E382 HydrophobicContact CZ-CG 3.9Å; F379-W400 HydrophobicContact CE2-CB 4.35Å; F379-P474 HydrophobicContact CB-CG 4.34Å; F379-V476 HydrophobicContact CD2-CG1 4.12Å |
| 380 | V | 95.9 | Very high | 89.8 | Confident | 61 Ų | 61 | 67.6 Ų | 67.6 | 37% | 0.37 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | -59 | -179.7 | -175 | 0 | 0 | 0 | 0 | 111.2 | R401 K403 V443 | V380-R401 HydrophobicContact CB-CB 4.2Å; V380-R401 HydrophobicContact CB-CG 4.13Å; V380-R401 WeakPolarHBondContact CB-O 3.28Å; V380-R401 HydrophobicContact CG1-CG 4.4Å; V380-R401 PolarHBondContact N-O 3.45Å; V380-K403 HydrophobicContact CG2-CB 3.95Å; V380-V443 HydrophobicContact CG2-CG1 4.13Å |
| 381 | D | 92.1 | Very high | 92 | Very high | 66 Ų | 66 | 66 Ų | 66 | 35% | 0.353 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 175.1 | 176.6 | 56.4 | 56.2 | 0 | 0 | 0 | 111.5 | F379 R401 | F379-D381 VanDerWaalsContact CE2-O 3.23Å; F379-D381 WeakPolarHBondContact CE2-O 3.38Å; F379-D381 VanDerWaalsContact CZ-C 3.48Å; D381-R401 PolarHBondContact O-N 2.61Å; D381-R401 WeakPolarHBondContact OD1-CB 3.25Å; D381-R401 WeakPolarHBondContact OD1-CD 3.23Å; D381-R401 WeakPolarHBondContact OD2-CD 3.21Å; D381-R401 IonicContact OD2-CZ 2.68Å; D381-R401 IonicContact OD2-NE 2.65Å; D381-R401 IonicContact OD2-NH1 2.61Å; D381-R401 PolarHBondContact OD2-NH1 3.29Å |
| 382 | E | 94.7 | Very high | 93.4 | Very high | 65 Ų | 65 | 61.2 Ų | 61.2 | 30% | 0.304 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 163.4 | 177.6 | 60.8 | -179.6 | -153.6 | 0 | 0 | 111.9 | F379 K398 H399 | F379-E382 HydrophobicContact CE2-CB 4.13Å; F379-E382 HydrophobicContact CE2-CG 4.45Å; F379-E382 HydrophobicContact CZ-CB 4.02Å; F379-E382 HydrophobicContact CZ-CG 3.9Å; E382-K398 IonicContact OE1-NZ 2.67Å; E382-K398 PolarHBondContact OE1-NZ 3.13Å; E382-K398 WeakPolarHBondContact OE2-CE 3.33Å; E382-K398 IonicContact OE2-NZ 3.46Å; E382-K398 PolarHBondContact OE2-NZ 3.37Å; E382-H399 WeakPolarHBondContact CA-O 3.39Å; E382-H399 VanDerWaalsContact CB-O 3.23Å; E382-H399 WeakPolarHBondContact CB-O 3.39Å |
| 383 | N | 90.6 | Very high | 94.1 | Very high | 72 Ų | 72 | 56.6 Ų | 56.6 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -97.4 | -23.4 | -171.4 | 72.1 | -37.6 | 0 | 0 | 0 | 116.1 | I397 K398 H399 | N383-I397 PolarHBondContact ND2-O 3.36Å; N383-K398 WeakPolarHBondContact OD1-CA 3.31Å; N383-H399 HydrophobicContact CB-CB 4.18Å; N383-H399 PolarHBondContact N-O 2.91Å; N383-H399 PolarHBondContact ND2-CD2 2.95Å; N383-H399 VanDerWaalsContact ND2-CD2 3.34Å; N383-H399 PolarHBondContact OD1-N 2.95Å; N383-H399 PolarHBondContact OD1-O 3.17Å |
| 384 | L | 91.6 | Very high | 94.7 | Very high | 35 Ų | 35 | 54.1 Ų | 54.1 | 18% | 0.183 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -125.5 | 108.3 | -177.2 | -70.1 | 167.2 | 0 | 0 | 0 | 108.2 | T388 F396 K398 | L384-T388 HydrophobicContact CD2-CG2 4.31Å; L384-F396 HydrophobicContact CD1-CB 4.48Å; L384-F396 HydrophobicContact CD1-CD2 3.41Å; L384-F396 VanDerWaalsContact CD1-CD2 3.41Å; L384-F396 HydrophobicContact CD1-CE2 3.96Å; L384-F396 HydrophobicContact CD1-CG 4.29Å; L384-K398 HydrophobicContact CB-CD 4.01Å; L384-K398 PolarHBondContact O-NZ 3.09Å |
| 385 | P | 94 | Very high | 94.9 | Very high | 87 Ų | 87 | 57.1 Ų | 57.1 | 57% | 0.565 | 32% | 0.321 | S | S | * | . | trans | -59 | 152.1 | 177.7 | -25.2 | 35.2 | 0 | 0 | 0 | 112.8 | G387 T388 | P385-G387 PolarHBondContact O-N 2.83Å; P385-T388 WeakPolarHBondContact O-CB 3.44Å; P385-T388 PolarHBondContact O-N 2.8Å; P385-T388 PolarHBondContact O-OG1 3.3Å | ||
| 386 | D | 95.6 | Very high | 95 | Very high | 75 Ų | 75 | 56.1 Ų | 56.1 | 40% | 0.401 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 133.6 | 172.3 | -78.1 | -29.1 | 0 | 0 | 0 | 111.6 | W477 S479 | D386-W477 PolarHBondContact OD1-NE1 3.49Å; D386-W477 PolarHBondContact OD2-NE1 2.81Å; D386-S479 WeakPolarHBondContact CA-O 3.26Å; D386-S479 WeakPolarHBondContact OD1-CB 3.25Å; D386-S479 PolarHBondContact OD1-N 2.69Å; D386-S479 VanDerWaalsContact OD1-N 3.11Å |
| 387 | G | 92.3 | Very high | 95 | Very high | 25 Ų | 25 | 58 Ų | 58 | 26% | 0.258 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 10.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P385 H389 S479 | P385-G387 PolarHBondContact O-N 2.83Å; G387-H389 PolarHBondContact O-CD2 3.41Å; G387-H389 PolarHBondContact O-N 3.48Å; G387-S479 PolarHBondContact N-O 3.41Å |
| 388 | T | 96.9 | Very high | 94.9 | Very high | 35 Ų | 35 | 57.5 Ų | 57.5 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 124.4 | 172.3 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | L384 P385 L390 I480 I481 | L384-T388 HydrophobicContact CD2-CG2 4.31Å; P385-T388 WeakPolarHBondContact O-CB 3.44Å; P385-T388 PolarHBondContact O-N 2.8Å; P385-T388 PolarHBondContact O-OG1 3.3Å; T388-L390 HydrophobicContact CG2-CD2 4.26Å; T388-L390 HydrophobicContact CG2-CG 4.35Å; T388-I480 VanDerWaalsContact O-CA 3.32Å; T388-I480 WeakPolarHBondContact O-CA 3.49Å; T388-I480 WeakPolarHBondContact O-CB 2.96Å; T388-I481 PolarHBondContact O-N 3.34Å |
| 389 | H | 96.1 | Very high | 94.8 | Very high | 108 Ų | 108 | 58.8 Ų | 58.8 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 133.3 | 175.2 | -78.8 | -108.7 | 0 | 0 | 0 | 110.9 | G387 I481 D483 | G387-H389 PolarHBondContact O-CD2 3.41Å; G387-H389 PolarHBondContact O-N 3.48Å; H389-I481 CarbonylContact C-O 3.45Å; H389-I481 WeakPolarHBondContact CA-O 3.47Å; H389-D483 IonicContact CE1-OD1 3.07Å; H389-D483 PolarHBondContact CE1-OD1 3.32Å; H389-D483 IonicContact CG-OD1 2.62Å; H389-D483 IonicContact CG-OD2 2.73Å; H389-D483 IonicContact ND1-OD1 3.14Å; H389-D483 PolarHBondContact ND1-OD1 2.85Å; H389-D483 IonicContact ND1-OD2 3.91Å; H389-D483 PolarHBondContact ND1-OD2 3.31Å |
| 390 | L | 96.1 | Very high | 94.8 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 148.9 | 179.9 | -66.3 | 177.9 | 0 | 0 | 0 | 110.9 | T388 T394 F396 A452 I480 I481 V482 D483 | T388-L390 HydrophobicContact CG2-CD2 4.26Å; T388-L390 HydrophobicContact CG2-CG 4.35Å; L390-T394 HydrophobicContact CD2-CG2 4.44Å; L390-F396 HydrophobicContact CD1-CD1 3.46Å; L390-F396 VanDerWaalsContact CD1-CD1 3.46Å; L390-F396 HydrophobicContact CD1-CD2 4.45Å; L390-F396 HydrophobicContact CD1-CE1 3.41Å; L390-F396 VanDerWaalsContact CD1-CE1 3.41Å; L390-F396 HydrophobicContact CD1-CE2 4.4Å; L390-F396 HydrophobicContact CD1-CG 3.98Å; L390-F396 HydrophobicContact CD1-CZ 3.89Å; L390-A452 HydrophobicContact CB-CB 4.27Å; L390-I480 HydrophobicContact CD1-CB 4.3Å; L390-I480 HydrophobicContact CD1-CD1 3.98Å; L390-I480 HydrophobicContact CD1-CG2 3.91Å; L390-I481 PolarHBondContact N-O 2.95Å; L390-V482 WeakPolarHBondContact O-CA 3.16Å; L390-D483 PolarHBondContact O-N 3.18Å; L390-D483 VanDerWaalsContact O-N 3.13Å |
| 391 | Q | 96.1 | Very high | 94.9 | Very high | 79 Ų | 79 | 56.3 Ų | 56.3 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | trans | -76.3 | 150.2 | 175.2 | -72.2 | -69.1 | -66.6 | 0 | 0 | 111.6 | G393 T394 | Q391-G393 PolarHBondContact O-N 2.84Å; Q391-T394 VanDerWaalsContact O-CB 3.24Å; Q391-T394 WeakPolarHBondContact O-CB 3.01Å; Q391-T394 PolarHBondContact O-N 3.43Å; Q391-T394 PolarHBondContact O-OG1 2.84Å | ||
| 392 | P | 96.3 | Very high | 95.1 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 10% | 0.097 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 138.4 | -176 | -16.2 | 27 | 0 | 0 | 0 | 112.3 | T394 P453 V482 D483 F485 | P392-T394 VanDerWaalsContact C-N 3.29Å; P392-T394 PolarHBondContact O-N 2.81Å; P392-P453 VanDerWaalsContact CA-O 3.29Å; P392-P453 WeakPolarHBondContact CA-O 3.4Å; P392-P453 WeakPolarHBondContact CB-O 3.23Å; P392-V482 HydrophobicContact CB-CG1 3.92Å; P392-V482 HydrophobicContact CG-CG1 3.71Å; P392-D483 WeakPolarHBondContact CD-O 3.18Å; P392-D483 VanDerWaalsContact CG-O 3.22Å; P392-D483 WeakPolarHBondContact CG-O 3.42Å; P392-F485 HydrophobicContact CB-CD2 4.47Å; P392-F485 HydrophobicContact CB-CE1 4.15Å; P392-F485 HydrophobicContact CB-CE2 3.75Å; P392-F485 HydrophobicContact CB-CZ 3.58Å; P392-F485 HydrophobicContact CG-CD1 4.21Å; P392-F485 HydrophobicContact CG-CD2 3.95Å; P392-F485 HydrophobicContact CG-CE1 4.01Å; P392-F485 HydrophobicContact CG-CE2 3.73Å; P392-F485 HydrophobicContact CG-CG 4.19Å; P392-F485 HydrophobicContact CG-CZ 3.77Å |
| 393 | G | 94.1 | Very high | 95.2 | Very high | 40 Ų | 40 | 54.2 Ų | 54.2 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | -4.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q391 K395 A452 P453 | Q391-G393 PolarHBondContact O-N 2.84Å; G393-K395 PolarHBondContact O-N 2.89Å; G393-A452 WeakPolarHBondContact CA-O 3.44Å; G393-A452 PolarHBondContact N-O 3.39Å; G393-P453 PolarHBondContact N-O 2.83Å |
| 394 | T | 95.5 | Very high | 95.5 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 30% | 0.301 | 27% | 0.267 | S | S | . | . | trans | -58.5 | 125.5 | 179.5 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | L390 Q391 P392 I451 A452 | L390-T394 HydrophobicContact CD2-CG2 4.44Å; Q391-T394 VanDerWaalsContact O-CB 3.24Å; Q391-T394 WeakPolarHBondContact O-CB 3.01Å; Q391-T394 PolarHBondContact O-N 3.43Å; Q391-T394 PolarHBondContact O-OG1 2.84Å; P392-T394 VanDerWaalsContact C-N 3.29Å; P392-T394 PolarHBondContact O-N 2.81Å; T394-I451 WeakPolarHBondContact O-CA 3.49Å; T394-A452 PolarHBondContact O-N 2.86Å | ||
| 395 | K | 96.3 | Very high | 95.7 | Very high | 136 Ų | 136 | 52.3 Ų | 52.3 | 59% | 0.591 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 134.1 | 167.8 | -76.1 | -175.8 | 173 | -156.7 | 0 | 110.9 | G393 F450 I451 | G393-K395 PolarHBondContact O-N 2.89Å; K395-F450 WeakPolarHBondContact CA-O 3.49Å; K395-I451 HydrophobicContact CG-CD1 4.42Å; K395-I451 HydrophobicContact CG-CG1 3.71Å |
| 396 | F | 95.3 | Very high | 95.7 | Very high | 21 Ų | 21 | 48.6 Ų | 48.6 | 9% | 0.092 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 159.6 | 178 | 66 | -86.3 | 0 | 0 | 0 | 111.9 | L384 L390 L423 E449 F450 A452 I480 | L384-F396 HydrophobicContact CD1-CB 4.48Å; L384-F396 HydrophobicContact CD1-CD2 3.41Å; L384-F396 VanDerWaalsContact CD1-CD2 3.41Å; L384-F396 HydrophobicContact CD1-CE2 3.96Å; L384-F396 HydrophobicContact CD1-CG 4.29Å; L390-F396 HydrophobicContact CD1-CD1 3.46Å; L390-F396 VanDerWaalsContact CD1-CD1 3.46Å; L390-F396 HydrophobicContact CD1-CD2 4.45Å; L390-F396 HydrophobicContact CD1-CE1 3.41Å; L390-F396 VanDerWaalsContact CD1-CE1 3.41Å; L390-F396 HydrophobicContact CD1-CE2 4.4Å; L390-F396 HydrophobicContact CD1-CG 3.98Å; L390-F396 HydrophobicContact CD1-CZ 3.89Å; F396-L423 HydrophobicContact CE1-CD1 4.45Å; F396-L423 HydrophobicContact CZ-CD1 4.19Å; F396-L423 HydrophobicContact CZ-CD2 3.97Å; F396-E449 CarbonylContact O-C 3.45Å; F396-E449 WeakPolarHBondContact O-CA 3.15Å; F396-F450 HydrophobicContact CD1-CB 4.27Å; F396-F450 HydrophobicContact CD2-CB 4.27Å; F396-F450 HydrophobicContact CD2-CD2 4.48Å; F396-F450 HydrophobicContact CE1-CB 3.74Å; F396-F450 HydrophobicContact CE2-CB 3.76Å; F396-F450 AromaticContact CE2-CD2 3.81Å; F396-F450 HydrophobicContact CE2-CD2 3.81Å; F396-F450 HydrophobicContact CE2-CG 4.2Å; F396-F450 HydrophobicContact CZ-CB 3.48Å; F396-F450 VanDerWaalsContact CZ-CB 3.48Å; F396-F450 HydrophobicContact CZ-CD2 4.22Å; F396-F450 HydrophobicContact CZ-CG 4.17Å; F396-F450 PolarHBondContact N-O 2.89Å; F396-F450 PolarHBondContact O-N 2.9Å; F396-A452 HydrophobicContact CE1-CB 4.32Å; F396-I480 HydrophobicContact CE1-CD1 3.93Å; F396-I480 HydrophobicContact CE2-CG2 4.22Å; F396-I480 HydrophobicContact CZ-CD1 3.96Å; F396-I480 HydrophobicContact CZ-CG2 3.79Å |
| 397 | I | 95.1 | Very high | 95.6 | Very high | 80 Ų | 80 | 48.5 Ų | 48.5 | 41% | 0.41 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 121.1 | 175.3 | -53.6 | 171.2 | 0 | 0 | 0 | 108.6 | N383 H399 V448 E449 | N383-I397 PolarHBondContact ND2-O 3.36Å; I397-H399 WeakPolarHBondContact CG2-CE1 3.41Å; I397-V448 WeakPolarHBondContact CA-O 3.16Å; I397-E449 HydrophobicContact CG1-CB 4.22Å; I397-E449 HydrophobicContact CG1-CG 3.99Å |
| 398 | K | 96 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 134 | 166.4 | 179.8 | 80.6 | 176.3 | -158.4 | 0 | 108.3 | E382 N383 L384 W400 S447 V448 F450 W477 C478 | E382-K398 IonicContact OE1-NZ 2.67Å; E382-K398 PolarHBondContact OE1-NZ 3.13Å; E382-K398 WeakPolarHBondContact OE2-CE 3.33Å; E382-K398 IonicContact OE2-NZ 3.46Å; E382-K398 PolarHBondContact OE2-NZ 3.37Å; N383-K398 WeakPolarHBondContact OD1-CA 3.31Å; L384-K398 HydrophobicContact CB-CD 4.01Å; L384-K398 PolarHBondContact O-NZ 3.09Å; K398-W400 HydrophobicContact CB-CZ2 4.45Å; K398-W400 HydrophobicContact CG-CD2 4.21Å; K398-W400 HydrophobicContact CG-CH2 4.1Å; K398-W400 HydrophobicContact CG-CZ2 3.56Å; K398-S447 WeakPolarHBondContact O-CA 3.46Å; K398-V448 PolarHBondContact N-O 2.76Å; K398-V448 PolarHBondContact O-N 2.91Å; K398-F450 HydrophobicContact CB-CD2 4.04Å; K398-F450 HydrophobicContact CB-CE2 3.82Å; K398-W477 WeakPolarHBondContact CE-O 3.38Å; K398-W477 PolarHBondContact NZ-O 2.89Å; K398-C478 HydrophobicContact CB-CB 4.33Å; K398-C478 HydrophobicContact CD-CB 3.99Å; K398-C478 HydrophobicContact CG-CB 3.94Å |
| 399 | H | 94.8 | Very high | 95.6 | Very high | 61 Ų | 61 | 53.1 Ų | 53.1 | 28% | 0.282 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.4 | 174.9 | -65.2 | -53.4 | 0 | 0 | 0 | 109.3 | E382 N383 I397 V445 V446 S447 | E382-H399 WeakPolarHBondContact CA-O 3.39Å; E382-H399 VanDerWaalsContact CB-O 3.23Å; E382-H399 WeakPolarHBondContact CB-O 3.39Å; N383-H399 HydrophobicContact CB-CB 4.18Å; N383-H399 PolarHBondContact N-O 2.91Å; N383-H399 PolarHBondContact ND2-CD2 2.95Å; N383-H399 VanDerWaalsContact ND2-CD2 3.34Å; N383-H399 PolarHBondContact OD1-N 2.95Å; N383-H399 PolarHBondContact OD1-O 3.17Å; I397-H399 WeakPolarHBondContact CG2-CE1 3.41Å; H399-V445 HydrophobicContact CB-CG1 3.65Å; H399-V446 WeakPolarHBondContact CA-O 3.41Å; H399-S447 PolarHBondContact CE1-OG 2.75Å; H399-S447 WeakPolarHBondContact ND1-CB 3.31Å; H399-S447 PolarHBondContact ND1-OG 2.88Å |
| 400 | W | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120.3 | 164.2 | -51.9 | -81.4 | 0 | 0 | 0 | 108.9 | F379 K398 M402 L416 V446 V448 F450 W463 V476 W477 C478 | F379-W400 HydrophobicContact CE2-CB 4.35Å; K398-W400 HydrophobicContact CB-CZ2 4.45Å; K398-W400 HydrophobicContact CG-CD2 4.21Å; K398-W400 HydrophobicContact CG-CH2 4.1Å; K398-W400 HydrophobicContact CG-CZ2 3.56Å; W400-M402 HydrophobicContact CB-CG 4.4Å; W400-L416 HydrophobicContact CE3-CD2 4.03Å; W400-L416 HydrophobicContact CH2-CD2 4.38Å; W400-L416 HydrophobicContact CZ3-CD2 3.54Å; W400-V446 PolarHBondContact N-O 3.05Å; W400-V446 PolarHBondContact O-N 2.91Å; W400-V448 HydrophobicContact CH2-CB 4.35Å; W400-V448 HydrophobicContact CH2-CG2 4.18Å; W400-V448 HydrophobicContact CZ3-CB 4.19Å; W400-V448 HydrophobicContact CZ3-CG2 3.74Å; W400-F450 HydrophobicContact CH2-CE2 4.37Å; W400-F450 HydrophobicContact CH2-CZ 4.45Å; W400-W463 AromaticContact CH2-CD1 3.59Å; W400-W463 HydrophobicContact CH2-CG 4.01Å; W400-V476 HydrophobicContact CB-CG2 4.49Å; W400-V476 HydrophobicContact CD2-CB 4.07Å; W400-V476 HydrophobicContact CD2-CG2 3.67Å; W400-V476 HydrophobicContact CE3-CG2 4.03Å; W400-V476 HydrophobicContact CG-CB 3.88Å; W400-V476 HydrophobicContact CG-CG1 4.4Å; W400-V476 HydrophobicContact CG-CG2 3.9Å; W400-V476 HydrophobicContact CZ2-CG2 4.38Å; W400-W477 PolarHBondContact NE1-O 3.4Å; W400-C478 HydrophobicContact CZ2-CB 4.37Å |
| 401 | R | 96.5 | Very high | 95.5 | Very high | 104 Ų | 104 | 48 Ų | 48 | 39% | 0.392 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 124.9 | 172 | -167.6 | -172.3 | -174.4 | -167.5 | 4.1 | 108.7 | V380 D381 V443 G444 V445 | V380-R401 HydrophobicContact CB-CB 4.2Å; V380-R401 HydrophobicContact CB-CG 4.13Å; V380-R401 WeakPolarHBondContact CB-O 3.28Å; V380-R401 HydrophobicContact CG1-CG 4.4Å; V380-R401 PolarHBondContact N-O 3.45Å; D381-R401 PolarHBondContact O-N 2.61Å; D381-R401 WeakPolarHBondContact OD1-CB 3.25Å; D381-R401 WeakPolarHBondContact OD1-CD 3.23Å; D381-R401 WeakPolarHBondContact OD2-CD 3.21Å; D381-R401 IonicContact OD2-CZ 2.68Å; D381-R401 IonicContact OD2-NE 2.65Å; D381-R401 IonicContact OD2-NH1 2.61Å; D381-R401 PolarHBondContact OD2-NH1 3.29Å; R401-V443 HydrophobicContact CG-CG1 3.5Å; R401-V443 VanDerWaalsContact CG-CG1 3.5Å; R401-G444 CarbonylContact C-O 3.59Å; R401-G444 WeakPolarHBondContact CA-O 3.42Å; R401-V445 HydrophobicContact CB-CG2 4.3Å; R401-V445 HydrophobicContact CG-CG2 4.22Å |
| 402 | M | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 142.1 | -175.3 | -56 | -170.3 | 81.9 | 0 | 0 | 110.6 | A377 A378 W400 W410 L438 V443 G444 V446 L465 P474 V476 | A377-M402 HydrophobicContact CB-CE 4.24Å; A378-M402 CarbonylContact O-C 3.54Å; A378-M402 VanDerWaalsContact O-CA 3.31Å; A378-M402 WeakPolarHBondContact O-CA 3.38Å; W400-M402 HydrophobicContact CB-CG 4.4Å; M402-W410 HydrophobicContact CB-CH2 4.2Å; M402-L438 WeakPolarHBondContact O-CD1 3.1Å; M402-V443 WeakPolarHBondContact O-CA 3.27Å; M402-G444 PolarHBondContact N-O 2.9Å; M402-G444 PolarHBondContact O-N 3.46Å; M402-V446 HydrophobicContact CG-CG2 4.29Å; M402-V446 HydrophobicContact SD-CG2 4Å; M402-L465 HydrophobicContact CE-CD1 3.71Å; M402-L465 HydrophobicContact CE-CG 4.15Å; M402-L465 HydrophobicContact SD-CD1 3.81Å; M402-L465 HydrophobicContact SD-CD2 4.43Å; M402-L465 HydrophobicContact SD-CG 4.09Å; M402-P474 HydrophobicContact CE-CG 3.98Å; M402-V476 HydrophobicContact CE-CG1 3.94Å; M402-V476 HydrophobicContact SD-CG1 4.44Å |
| 403 | K | 97.2 | Very high | 95 | Very high | 88 Ų | 88 | 52.3 Ų | 52.3 | 38% | 0.383 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 130.3 | 173.1 | -172 | 172.1 | -174.8 | 177.1 | 0 | 109.5 | A377 A378 V380 T405 G441 H442 V443 | A377-K403 CarbonylContact C-O 3.59Å; A377-K403 VanDerWaalsContact CA-O 3.23Å; A377-K403 WeakPolarHBondContact CA-O 3.37Å; A378-K403 HydrophobicContact CB-CB 4.49Å; A378-K403 PolarHBondContact N-O 3.27Å; A378-K403 PolarHBondContact O-N 2.79Å; V380-K403 HydrophobicContact CG2-CB 3.95Å; K403-T405 HydrophobicContact CB-CG2 4.43Å; K403-T405 HydrophobicContact CD-CG2 4.27Å; K403-T405 HydrophobicContact CG-CG2 4.15Å; K403-T405 PolarHBondContact O-N 3.09Å; K403-G441 WeakPolarHBondContact CE-O 3.41Å; K403-H442 CarbonylContact C-O 3.59Å; K403-H442 WeakPolarHBondContact CA-O 3.45Å; K403-V443 HydrophobicContact CB-CG2 3.97Å; K403-V443 HydrophobicContact CD-CG2 4.12Å; K403-V443 HydrophobicContact CG-CG2 3.83Å |
| 404 | N | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 103.8 | 165.7 | -178.2 | 1 | 0 | 0 | 0 | 108.8 | S376 G406 V408 W410 L438 K439 G441 H442 | S376-N404 PolarHBondContact O-OD1 2.82Å; N404-G406 PolarHBondContact OD1-N 3.4Å; N404-V408 PolarHBondContact ND2-O 2.85Å; N404-W410 HydrophobicContact CB-CD2 4.31Å; N404-W410 HydrophobicContact CB-CH2 4.32Å; N404-W410 HydrophobicContact CB-CZ2 3.65Å; N404-W410 PolarHBondContact ND2-NE1 2.97Å; N404-W410 PolarHBondContact OD1-NE1 2.88Å; N404-L438 HydrophobicContact CB-CB 3.94Å; N404-L438 PolarHBondContact ND2-O 3.16Å; N404-K439 WeakPolarHBondContact CB-O 3.26Å; N404-K439 PolarHBondContact ND2-O 3.18Å; N404-G441 VanDerWaalsContact O-CA 3.24Å; N404-G441 WeakPolarHBondContact O-CA 3.23Å; N404-G441 PolarHBondContact O-N 2.88Å; N404-H442 PolarHBondContact N-O 2.79Å |
| 405 | T | 96.1 | Very high | 95 | Very high | 66 Ų | 66 | 52.1 Ų | 52.1 | 41% | 0.405 | 26% | 0.259 | S | S | . | . | trans | -95.4 | 1.3 | 176.8 | 46.2 | 0 | 0 | 0 | 0 | 112.6 | S376 A377 A378 K403 | S376-T405 VanDerWaalsContact C-OG1 3.28Å; S376-T405 PolarHBondContact O-N 2.83Å; S376-T405 VanDerWaalsContact O-N 3.16Å; S376-T405 PolarHBondContact OG-OG1 2.64Å; A377-T405 VanDerWaalsContact CA-OG1 3.25Å; A377-T405 WeakPolarHBondContact CA-OG1 3.4Å; A377-T405 PolarHBondContact N-OG1 3.47Å; A377-T405 VanDerWaalsContact N-OG1 3.13Å; A378-T405 HydrophobicContact CB-CG2 3.79Å; K403-T405 HydrophobicContact CB-CG2 4.43Å; K403-T405 HydrophobicContact CD-CG2 4.27Å; K403-T405 HydrophobicContact CG-CG2 4.15Å; K403-T405 PolarHBondContact O-N 3.09Å | ||
| 406 | G | 93.8 | Very high | 94.9 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 9% | 0.093 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -80.7 | 173.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | T374 S376 N404 A440 | T374-G406 CarbonylContact O-C 3.58Å; T374-G406 WeakPolarHBondContact O-CA 3.46Å; S376-G406 PolarHBondContact O-N 3.32Å; S376-G406 VanDerWaalsContact O-N 3.17Å; N404-G406 PolarHBondContact OD1-N 3.4Å; G406-A440 WeakPolarHBondContact O-CB 3.39Å |
| 407 | N | 92.9 | Very high | 94.8 | Very high | 73 Ų | 73 | 49.3 Ų | 49.3 | 39% | 0.39 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -91 | -11.5 | 170.6 | 64.4 | 29.8 | 0 | 0 | 0 | 112.5 | V371 M372 T374 | V371-N407 WeakPolarHBondContact CG1-ND2 3.44Å; M372-N407 PolarHBondContact O-ND2 3.3Å; T374-N407 PolarHBondContact N-OD1 2.89Å; T374-N407 PolarHBondContact O-N 3.21Å; T374-N407 PolarHBondContact O-OD1 3.21Å |
| 408 | V | 94.1 | Very high | 94.7 | Very high | 34 Ų | 34 | 49.3 Ų | 49.3 | 21% | 0.206 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -91.4 | 129.4 | 178.7 | -173 | 0 | 0 | 0 | 0 | 110.9 | P373 L375 N404 | P373-V408 HydrophobicContact CB-CG2 3.63Å; L375-V408 HydrophobicContact CD2-CB 3.96Å; L375-V408 HydrophobicContact CD2-CG1 4.04Å; L375-V408 HydrophobicContact CG-CB 4.24Å; L375-V408 HydrophobicContact CG-CG2 4.34Å; N404-V408 PolarHBondContact ND2-O 2.85Å |
| 409 | K | 95.7 | Very high | 94.6 | Very high | 123 Ų | 123 | 52.1 Ų | 52.1 | 54% | 0.535 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 130.1 | 167.4 | -177.4 | -162 | 171.2 | -167.6 | 0 | 109.6 | C437 L438 K439 | K409-C437 WeakPolarHBondContact CE-O 3.41Å; K409-L438 CarbonylContact C-O 3.58Å; K409-L438 WeakPolarHBondContact CA-O 3.49Å; K409-L438 WeakPolarHBondContact CG-O 3.44Å; K409-K439 HydrophobicContact CG-CG 4.41Å |
| 410 | W | 95.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -65 | 141.4 | 173 | -58.7 | -7.1 | 0 | 0 | 0 | 110.9 | A377 M402 N404 T414 V435 C437 L438 L465 F472 | A377-W410 HydrophobicContact CB-CH2 4.05Å; A377-W410 HydrophobicContact CB-CZ2 3.66Å; M402-W410 HydrophobicContact CB-CH2 4.2Å; N404-W410 HydrophobicContact CB-CD2 4.31Å; N404-W410 HydrophobicContact CB-CH2 4.32Å; N404-W410 HydrophobicContact CB-CZ2 3.65Å; N404-W410 PolarHBondContact ND2-NE1 2.97Å; N404-W410 PolarHBondContact OD1-NE1 2.88Å; W410-T414 HydrophobicContact CB-CG2 4.07Å; W410-T414 WeakPolarHBondContact CB-OG1 3Å; W410-T414 HydrophobicContact CD2-CG2 4.19Å; W410-T414 HydrophobicContact CE3-CG2 4.4Å; W410-T414 HydrophobicContact CG-CG2 4.03Å; W410-V435 HydrophobicContact CE3-CG1 3.53Å; W410-V435 HydrophobicContact CZ3-CG1 3.75Å; W410-C437 CarbonylContact O-C 3.43Å; W410-C437 WeakPolarHBondContact O-CA 3.26Å; W410-C437 VanDerWaalsContact O-CB 3.26Å; W410-C437 WeakPolarHBondContact O-CB 3.45Å; W410-L438 HydrophobicContact CD2-CB 4.17Å; W410-L438 HydrophobicContact CE3-CB 3.91Å; W410-L438 HydrophobicContact CE3-CD1 3.97Å; W410-L438 HydrophobicContact CE3-CG 3.88Å; W410-L438 HydrophobicContact CH2-CD1 4.02Å; W410-L438 HydrophobicContact CZ3-CB 4.34Å; W410-L438 HydrophobicContact CZ3-CD1 3.55Å; W410-L438 HydrophobicContact CZ3-CG 3.99Å; W410-L438 PolarHBondContact N-O 3.23Å; W410-L465 HydrophobicContact CH2-CD1 3.51Å; W410-L465 HydrophobicContact CZ2-CD1 3.82Å; W410-L465 HydrophobicContact CZ3-CD1 4.02Å; W410-F472 HydrophobicContact CD2-CZ 4.5Å; W410-F472 AromaticContact CE2-CE2 3.86Å; W410-F472 AromaticContact CE2-CZ 3.96Å; W410-F472 AromaticContact CZ2-CE2 3.99Å; W410-F472 HydrophobicContact CZ2-CE2 3.99Å; W410-F472 HydrophobicContact CZ2-CZ 4.38Å; W410-F472 AromaticContact NE1-CE2 3.61Å; W410-F472 AromaticContact NE1-CZ 3.74Å |
| 411 | S | 93.6 | Very high | 94.3 | Very high | 29 Ų | 29 | 56.6 Ų | 56.6 | 20% | 0.203 | 28% | 0.284 | C | S | . | . | trans | -119.2 | -176.1 | -178 | 66.2 | 0 | 0 | 0 | 0 | 110.6 | D413 T414 C437 H467 | S411-D413 PolarHBondContact O-N 2.87Å; S411-D413 VanDerWaalsContact O-N 3.14Å; S411-D413 WeakPolarHBondContact OG-CB 3.46Å; S411-D413 PolarHBondContact OG-N 2.82Å; S411-D413 PolarHBondContact OG-OD2 3.38Å; S411-T414 PolarHBondContact N-OG1 3.12Å; S411-T414 VanDerWaalsContact O-CB 3.28Å; S411-T414 WeakPolarHBondContact O-CB 3.37Å; S411-T414 PolarHBondContact O-N 2.98Å; S411-C437 VanDerWaalsContact C-SG 3.56Å; S411-H467 PolarHBondContact OG-CE1 3.34Å; S411-H467 VanDerWaalsContact OG-CE1 3.22Å | ||
| 412 | T | 90.8 | Very high | 94.1 | Very high | 119 Ų | 119 | 55.6 Ų | 55.6 | 73% | 0.73 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -16.7 | 165.3 | 46.6 | 0 | 0 | 0 | 0 | 114 | T414 | T412-T414 VanDerWaalsContact C-N 3.28Š|
| 413 | D | 91.7 | Very high | 93.9 | Very high | 65 Ų | 65 | 55.9 Ų | 55.9 | 35% | 0.348 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.8 | 174.4 | -35.2 | -60.8 | 0 | 0 | 0 | 112.3 | S411 H467 K468 | S411-D413 PolarHBondContact O-N 2.87Å; S411-D413 VanDerWaalsContact O-N 3.14Å; S411-D413 WeakPolarHBondContact OG-CB 3.46Å; S411-D413 PolarHBondContact OG-N 2.82Å; S411-D413 PolarHBondContact OG-OD2 3.38Å; D413-H467 WeakPolarHBondContact O-CA 3.42Å; D413-H467 IonicContact OD2-CE1 3.86Å; D413-K468 HydrophobicContact CB-CD 4.36Å; D413-K468 HydrophobicContact CB-CG 3.55Å; D413-K468 PolarHBondContact O-N 3.47Å; D413-K468 VanDerWaalsContact O-N 3.09Å; D413-K468 WeakPolarHBondContact OD2-CE 3.34Å; D413-K468 IonicContact OD2-NZ 3.65Å |
| 414 | T | 94.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 120.6 | 174.2 | -55 | 0 | 0 | 0 | 0 | 109.8 | W410 S411 T412 V435 S466 H467 F472 | W410-T414 HydrophobicContact CB-CG2 4.07Å; W410-T414 WeakPolarHBondContact CB-OG1 3Å; W410-T414 HydrophobicContact CD2-CG2 4.19Å; W410-T414 HydrophobicContact CE3-CG2 4.4Å; W410-T414 HydrophobicContact CG-CG2 4.03Å; S411-T414 PolarHBondContact N-OG1 3.12Å; S411-T414 VanDerWaalsContact O-CB 3.28Å; S411-T414 WeakPolarHBondContact O-CB 3.37Å; S411-T414 PolarHBondContact O-N 2.98Å; T412-T414 VanDerWaalsContact C-N 3.28Å; T414-V435 HydrophobicContact CG2-CB 4.21Å; T414-V435 HydrophobicContact CG2-CG1 4.03Å; T414-V435 HydrophobicContact CG2-CG2 4.48Å; T414-S466 CarbonylContact C-O 3.6Å; T414-S466 WeakPolarHBondContact CA-O 3.47Å; T414-H467 PolarHBondContact OG1-ND1 3.11Å; T414-F472 HydrophobicContact CG2-CE1 4.11Å; T414-F472 HydrophobicContact CG2-CZ 3.91Å |
| 415 | K | 94 | Very high | 93.2 | Very high | 82 Ų | 82 | 57.6 Ų | 57.6 | 36% | 0.357 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 146.7 | -174.7 | -71.2 | 165.5 | 158 | -166 | 0 | 109.6 | D432 S466 | K415-D432 HydrophobicContact CB-CB 4.43Å; K415-D432 HydrophobicContact CD-CB 3.78Å; K415-D432 WeakPolarHBondContact CE-OD2 3.45Å; K415-D432 HydrophobicContact CG-CB 4.16Å; K415-D432 IonicContact NZ-OD2 3.45Å; K415-D432 PolarHBondContact NZ-OD2 2.94Å; K415-S466 PolarHBondContact N-O 2.79Å; K415-S466 PolarHBondContact O-N 3.3Å |
| 416 | L | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 115.9 | 168.7 | -173.8 | 83 | 0 | 0 | 0 | 107.5 | W400 V433 V435 V446 V448 W463 L465 V476 | W400-L416 HydrophobicContact CE3-CD2 4.03Å; W400-L416 HydrophobicContact CH2-CD2 4.38Å; W400-L416 HydrophobicContact CZ3-CD2 3.54Å; L416-V433 HydrophobicContact CB-CB 4.09Å; L416-V433 HydrophobicContact CB-CG1 4.26Å; L416-V433 HydrophobicContact CD2-CG1 4.43Å; L416-V433 PolarHBondContact N-O 2.79Å; L416-V433 VanDerWaalsContact N-O 3.13Å; L416-V433 PolarHBondContact O-N 2.85Å; L416-V435 HydrophobicContact CB-CG2 3.89Å; L416-V446 HydrophobicContact CB-CG1 3.95Å; L416-V446 HydrophobicContact CD1-CG1 4.47Å; L416-V446 HydrophobicContact CD2-CG1 3.83Å; L416-V446 HydrophobicContact CG-CG1 4.28Å; L416-V448 HydrophobicContact CD2-CG2 4.05Å; L416-W463 HydrophobicContact CD1-CB 4.03Å; L416-W463 HydrophobicContact CD2-CB 3.8Å; L416-W463 HydrophobicContact CD2-CD2 3.97Å; L416-W463 HydrophobicContact CD2-CE3 3.78Å; L416-W463 HydrophobicContact CD2-CG 3.98Å; L416-W463 HydrophobicContact CG-CB 3.87Å; L416-W463 HydrophobicContact CG-CD2 4.38Å; L416-W463 HydrophobicContact CG-CE3 3.88Å; L416-W463 HydrophobicContact CG-CG 4.41Å; L416-L465 HydrophobicContact CB-CD2 4.34Å; L416-L465 HydrophobicContact CD1-CD2 3.84Å; L416-L465 HydrophobicContact CD1-CG 4.17Å; L416-V476 HydrophobicContact CD1-CG2 4.23Å |
| 417 | K | 93.1 | Very high | 91.9 | Very high | 97 Ų | 97 | 57.7 Ų | 57.7 | 42% | 0.422 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131 | -173.9 | -172.7 | -171.9 | 173.4 | -176.6 | 0 | 110.3 | W463 R464 | K417-W463 VanDerWaalsContact C-CE3 3.47Å; K417-W463 WeakPolarHBondContact O-CA 3.42Å; K417-R464 PolarHBondContact N-O 2.87Å; K417-R464 PolarHBondContact O-N 2.9Å |
| 418 | F | 93.4 | Very high | 90.5 | Very high | 81 Ų | 81 | 61.2 Ų | 61.2 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 139 | 169.7 | -179.9 | -113.1 | 0 | 0 | 0 | 111.1 | W420 W463 | F418-W420 VanDerWaalsContact CE2-C 3.46Å; F418-W420 WeakPolarHBondContact CE2-O 3.41Å; F418-W463 HydrophobicContact CB-CD2 4.45Å; F418-W463 HydrophobicContact CB-CE3 4.06Å; F418-W463 HydrophobicContact CB-CH2 3.77Å; F418-W463 HydrophobicContact CB-CZ2 4.19Å; F418-W463 HydrophobicContact CB-CZ3 3.71Å; F418-W463 HydrophobicContact CD2-CD2 4.44Å; F418-W463 AromaticContact CD2-CE2 3.88Å; F418-W463 HydrophobicContact CD2-CH2 4.2Å; F418-W463 AromaticContact CD2-CZ2 3.76Å; F418-W463 HydrophobicContact CD2-CZ2 3.76Å; F418-W463 HydrophobicContact CG-CH2 4.4Å; F418-W463 HydrophobicContact CG-CZ2 4.4Å; F418-W463 VanDerWaalsContact N-CE3 3.29Å |
| 419 | M | 92.9 | Very high | 88.6 | Confident | 59 Ų | 59 | 67.3 Ų | 67.3 | 29% | 0.291 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | -60.2 | 177.2 | -53.2 | -168 | 79.3 | 0 | 0 | 111.6 | H462 R464 R475 | M419-H462 HydrophobicContact CB-CB 4.42Å; M419-H462 WeakPolarHBondContact CB-O 3.44Å; M419-H462 PolarHBondContact N-O 2.87Å; M419-R464 HydrophobicContact CE-CB 4.45Å; M419-R464 HydrophobicContact CG-CB 4.19Å; M419-R464 HydrophobicContact SD-CB 3.66Å; M419-R475 HydrophobicContact SD-CB 4.48Å; M419-R475 HydrophobicContact SD-CG 3.86Å |
| 420 | W | 93.7 | Very high | 86.6 | Confident | 118 Ų | 118 | 67.1 Ų | 67.1 | 45% | 0.447 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 165.5 | 176.9 | 62.5 | 85.1 | 0 | 0 | 0 | 109.9 | F418 H462 | F418-W420 VanDerWaalsContact CE2-C 3.46Å; F418-W420 WeakPolarHBondContact CE2-O 3.41Å; W420-H462 AromaticContact CD1-CD2 3.41Å; W420-H462 VanDerWaalsContact CD1-CD2 3.41Å; W420-H462 HydrophobicContact CD2-CB 4.26Å; W420-H462 AromaticContact CE2-CD2 3.78Å; W420-H462 AromaticContact CE2-CG 3.78Å; W420-H462 HydrophobicContact CZ2-CB 4.2Å; W420-H462 AromaticContact NE1-CD2 2.99Å; W420-H462 PolarHBondContact NE1-CD2 2.98Å; W420-H462 AromaticContact NE1-CG 3.46Å; W420-H462 AromaticContact NE1-NE2 3.51Å; W420-H462 PolarHBondContact O-N 3.5Å |
| 421 | G | 93 | Very high | 84.9 | Confident | 36 Ų | 36 | 76 Ų | 76 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.3 | 161.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | T460 | G421-T460 CarbonylContact C-O 3.6Å; G421-T460 WeakPolarHBondContact CA-O 2.78Å |
| 422 | N | 92.4 | Very high | 83.7 | Confident | 83 Ų | 83 | 78 Ų | 78 | 44% | 0.444 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -106.8 | -8.5 | 174.2 | 60.3 | -31 | 0 | 0 | 0 | 113.2 | T458 Y459 T460 | N422-T458 PolarHBondContact ND2-O 2.84Å; N422-Y459 HydrophobicContact CB-CD1 4.1Å; N422-Y459 WeakPolarHBondContact ND2-CD1 3.41Å; N422-Y459 WeakPolarHBondContact OD1-CA 3.43Å; N422-T460 PolarHBondContact N-O 3.31Å; N422-T460 PolarHBondContact OD1-N 2.9Å; N422-T460 PolarHBondContact OD1-OG1 2.86Å |
| 423 | L | 91.9 | Very high | 83.3 | Confident | 6 Ų | 6 | 73.2 Ų | 73.2 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 127.2 | 175.9 | 176.5 | 61.3 | 0 | 0 | 0 | 111.7 | F396 F450 I451 T460 C478 I480 | F396-L423 HydrophobicContact CE1-CD1 4.45Å; F396-L423 HydrophobicContact CZ-CD1 4.19Å; F396-L423 HydrophobicContact CZ-CD2 3.97Å; L423-F450 HydrophobicContact CD1-CB 4.39Å; L423-F450 HydrophobicContact CD2-CB 4.16Å; L423-F450 HydrophobicContact CD2-CD1 3.76Å; L423-F450 HydrophobicContact CD2-CD2 4.05Å; L423-F450 HydrophobicContact CD2-CE1 4.1Å; L423-F450 HydrophobicContact CD2-CE2 4.35Å; L423-F450 HydrophobicContact CD2-CG 3.74Å; L423-F450 HydrophobicContact CD2-CZ 4.38Å; L423-F450 HydrophobicContact CG-CB 4.25Å; L423-F450 HydrophobicContact CG-CD1 3.76Å; L423-F450 HydrophobicContact CG-CE1 4.29Å; L423-F450 HydrophobicContact CG-CG 4.07Å; L423-I451 WeakPolarHBondContact CD1-O 3.44Å; L423-T460 WeakPolarHBondContact CB-O 3.3Å; L423-T460 PolarHBondContact N-O 3.42Å; L423-C478 HydrophobicContact CD2-CB 4.15Å; L423-I480 HydrophobicContact CD1-CD1 3.67Å; L423-I480 HydrophobicContact CD1-CG1 4.13Å |
| 424 | T | 88.8 | Confident | 82.7 | Confident | 66 Ų | 66 | 77.7 Ų | 77.7 | 41% | 0.405 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 132.4 | -179.8 | 34.9 | 0 | 0 | 0 | 0 | 113.5 | F450 I451 | T424-F450 WeakPolarHBondContact O-CA 3.44Å; T424-I451 PolarHBondContact O-N 2.8Å; T424-I451 PolarHBondContact OG1-O 2.99Å |
| 425 | L | 90.4 | Very high | 82.4 | Confident | 58 Ų | 58 | 78.2 Ų | 78.2 | 30% | 0.304 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 152.2 | 166.9 | -78.5 | 83.3 | 0 | 0 | 0 | 110.9 | V448 F450 W463 | L425-V448 HydrophobicContact CD2-CG1 4.26Å; L425-V448 HydrophobicContact CG-CG1 4.31Å; L425-F450 HydrophobicContact CD1-CE1 4.25Å; L425-F450 HydrophobicContact CG-CD1 4.29Å; L425-F450 HydrophobicContact CG-CE1 4.16Å; L425-W463 HydrophobicContact CD1-CH2 4.3Å; L425-W463 HydrophobicContact CD1-CZ2 4.01Å; L425-W463 HydrophobicContact CD2-CH2 3.96Å; L425-W463 HydrophobicContact CD2-CZ2 4.27Å; L425-W463 HydrophobicContact CG-CZ2 4.37Å |
| 426 | A | 84.1 | Confident | 82.4 | Confident | 20 Ų | 20 | 76.6 Ų | 76.6 | 17% | 0.165 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -79.1 | -20.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E449 I451 | A426-E449 HydrophobicContact CB-CB 3.89Å; A426-E449 VanDerWaalsContact CB-CD 3.42Å; A426-E449 HydrophobicContact CB-CG 3.43Å; A426-E449 VanDerWaalsContact CB-CG 3.43Å; A426-E449 VanDerWaalsContact CB-OE1 3.27Å; A426-E449 WeakPolarHBondContact CB-OE1 3.24Å; A426-E449 PolarHBondContact N-O 3.48Å; A426-I451 HydrophobicContact CB-CD1 4.16Å; A426-I451 HydrophobicContact CB-CG1 3.87Å |
| 427 | S | 78.6 | Confident | 82.3 | Confident | 57 Ų | 57 | 79.4 Ų | 79.4 | 40% | 0.399 | 42% | 0.42 | S | S | . | . | trans | -120 | 131.3 | 174.2 | 176.3 | 0 | 0 | 0 | 0 | 111 | E429 | S427-E429 VanDerWaalsContact C-N 3.34Å; S427-E429 PolarHBondContact OG-N 2.95Å | ||
| 428 | T | 63.4 | Low | 82.4 | Confident | 147 Ų | 147 | 75.7 Ų | 75.7 | 90% | 0.902 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -78 | -18.3 | -179.4 | -41 | 0 | 0 | 0 | 0 | 112.9 | ||
| 429 | E | 53.3 | Low | 82.5 | Confident | 162 Ų | 162 | 77.9 Ų | 77.9 | 76% | 0.757 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -85.6 | -23.2 | -162.1 | -62.5 | -168 | 125.4 | 0 | 0 | 115.1 | S427 | S427-E429 VanDerWaalsContact C-N 3.34Å; S427-E429 PolarHBondContact OG-N 2.95Å |
| 430 | M | 54.6 | Low | 82.6 | Confident | 120 Ų | 120 | 77.1 Ų | 77.1 | 59% | 0.591 | 42% | 0.417 | S | S | * | . | trans | -123.3 | 102.5 | -167.6 | -65.4 | -64.1 | 148.1 | 0 | 0 | 113.4 | D432 | M430-D432 VanDerWaalsContact C-N 3.28Š| ||
| 431 | K | 60 | Low | 82.6 | Confident | 186 Ų | 186 | 73.6 Ų | 73.6 | 81% | 0.809 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -74.6 | -17.6 | 168.4 | -68.4 | -177.4 | 178.9 | 177.1 | 0 | 113.6 | ||
| 432 | D | 67.7 | Low | 82.7 | Confident | 72 Ų | 72 | 76.4 Ų | 76.4 | 39% | 0.385 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 107.8 | -179.6 | -75.3 | -36.9 | 0 | 0 | 0 | 109.7 | K415 M430 | K415-D432 HydrophobicContact CB-CB 4.43Å; K415-D432 HydrophobicContact CD-CB 3.78Å; K415-D432 WeakPolarHBondContact CE-OD2 3.45Å; K415-D432 HydrophobicContact CG-CB 4.16Å; K415-D432 IonicContact NZ-OD2 3.45Å; K415-D432 PolarHBondContact NZ-OD2 2.94Å; M430-D432 VanDerWaalsContact C-N 3.28Å |
| 433 | V | 83.6 | Confident | 83 | Confident | 18 Ų | 18 | 75.3 Ų | 75.3 | 11% | 0.109 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 136.2 | -178.6 | 167.4 | 0 | 0 | 0 | 0 | 110.3 | L416 V435 V446 S447 V448 W463 | L416-V433 HydrophobicContact CB-CB 4.09Å; L416-V433 HydrophobicContact CB-CG1 4.26Å; L416-V433 HydrophobicContact CD2-CG1 4.43Å; L416-V433 PolarHBondContact N-O 2.79Å; L416-V433 VanDerWaalsContact N-O 3.13Å; L416-V433 PolarHBondContact O-N 2.85Å; V433-V435 PolarHBondContact O-N 3.48Å; V433-V446 HydrophobicContact CG1-CG1 4.39Å; V433-S447 VanDerWaalsContact CG1-O 3.23Å; V433-S447 WeakPolarHBondContact CG1-O 3.37Å; V433-V448 HydrophobicContact CB-CG2 4.23Å; V433-V448 HydrophobicContact CG1-CG2 3.74Å; V433-V448 HydrophobicContact CG2-CG2 3.71Å; V433-W463 HydrophobicContact CB-CZ3 4.5Å; V433-W463 HydrophobicContact CG2-CH2 4.03Å; V433-W463 HydrophobicContact CG2-CZ3 3.72Å |
| 434 | L | 78.4 | Confident | 83.1 | Confident | 160 Ų | 160 | 75.8 Ų | 75.8 | 84% | 0.838 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 128.4 | 179.6 | -67 | 176.7 | 0 | 0 | 0 | 111.5 | ||
| 435 | V | 89.5 | Confident | 83.4 | Confident | 15 Ų | 15 | 75.7 Ų | 75.7 | 9% | 0.091 | 42% | 0.423 | C | S | . | . | trans | -111.8 | 136.8 | 177.3 | -177 | 0 | 0 | 0 | 0 | 109.3 | W410 T414 L416 V433 C437 V446 L465 | W410-V435 HydrophobicContact CE3-CG1 3.53Å; W410-V435 HydrophobicContact CZ3-CG1 3.75Å; T414-V435 HydrophobicContact CG2-CB 4.21Å; T414-V435 HydrophobicContact CG2-CG1 4.03Å; T414-V435 HydrophobicContact CG2-CG2 4.48Å; L416-V435 HydrophobicContact CB-CG2 3.89Å; V433-V435 PolarHBondContact O-N 3.48Å; V435-C437 PolarHBondContact O-N 3.17Å; V435-V446 HydrophobicContact CG1-CG2 4.11Å; V435-V446 HydrophobicContact CG2-CG1 4.13Å; V435-L465 HydrophobicContact CB-CD2 4.48Å; V435-L465 HydrophobicContact CG1-CD2 3.89Å; V435-L465 HydrophobicContact CG2-CD2 3.72Å | ||
| 436 | P | 92.1 | Very high | 83.6 | Confident | 48 Ų | 48 | 73 Ų | 73 | 31% | 0.312 | 41% | 0.408 | S | S | . | . | trans | -58.6 | 140 | 174.2 | -23 | 32.8 | 0 | 0 | 0 | 112.1 | L438 V445 | P436-L438 HydrophobicContact CB-CD2 3.85Å; P436-L438 HydrophobicContact CB-CG 4.16Å; P436-L438 PolarHBondContact O-N 2.99Å; P436-V445 WeakPolarHBondContact CD-O 3.21Å; P436-V445 WeakPolarHBondContact CG-O 3.25Å | ||
| 437 | C | 93.8 | Very high | 84.1 | Confident | 58 Ų | 58 | 74.3 Ų | 74.3 | 39% | 0.392 | 42% | 0.417 | S | S | . | . | trans | -75.7 | 60.4 | -179.8 | -71 | 0 | 0 | 0 | 0 | 112.9 | K409 W410 S411 V435 | K409-C437 WeakPolarHBondContact CE-O 3.41Å; W410-C437 CarbonylContact O-C 3.43Å; W410-C437 WeakPolarHBondContact O-CA 3.26Å; W410-C437 VanDerWaalsContact O-CB 3.26Å; W410-C437 WeakPolarHBondContact O-CB 3.45Å; S411-C437 VanDerWaalsContact C-SG 3.56Å; V435-C437 PolarHBondContact O-N 3.17Å | ||
| 438 | L | 94.9 | Very high | 84.8 | Confident | 19 Ų | 19 | 71.9 Ų | 71.9 | 10% | 0.099 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 130.1 | -173.1 | -60.8 | -171.1 | 0 | 0 | 0 | 113 | M402 N404 K409 W410 P436 | M402-L438 WeakPolarHBondContact O-CD1 3.1Å; N404-L438 HydrophobicContact CB-CB 3.94Å; N404-L438 PolarHBondContact ND2-O 3.16Å; K409-L438 CarbonylContact C-O 3.58Å; K409-L438 WeakPolarHBondContact CA-O 3.49Å; K409-L438 WeakPolarHBondContact CG-O 3.44Å; W410-L438 HydrophobicContact CD2-CB 4.17Å; W410-L438 HydrophobicContact CE3-CB 3.91Å; W410-L438 HydrophobicContact CE3-CD1 3.97Å; W410-L438 HydrophobicContact CE3-CG 3.88Å; W410-L438 HydrophobicContact CH2-CD1 4.02Å; W410-L438 HydrophobicContact CZ3-CB 4.34Å; W410-L438 HydrophobicContact CZ3-CD1 3.55Å; W410-L438 HydrophobicContact CZ3-CG 3.99Å; W410-L438 PolarHBondContact N-O 3.23Å; P436-L438 HydrophobicContact CB-CD2 3.85Å; P436-L438 HydrophobicContact CB-CG 4.16Å; P436-L438 PolarHBondContact O-N 2.99Å |
| 439 | K | 95.5 | Very high | 86.3 | Confident | 127 Ų | 127 | 68.8 Ų | 68.8 | 55% | 0.552 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -65 | 157.4 | 165.7 | -62.8 | 173.3 | -176.2 | 172.9 | 0 | 110.5 | N404 K409 G441 H442 | N404-K439 WeakPolarHBondContact CB-O 3.26Å; N404-K439 PolarHBondContact ND2-O 3.18Å; K409-K439 HydrophobicContact CG-CG 4.41Å; K439-G441 PolarHBondContact O-N 3.46Å; K439-H442 HydrophobicContact CB-CB 4.43Å; K439-H442 WeakPolarHBondContact O-CB 3.38Å; K439-H442 PolarHBondContact O-N 2.94Å; K439-H442 VanDerWaalsContact O-N 3.11Å |
| 440 | A | 95.1 | Very high | 88.3 | Confident | 44 Ų | 44 | 61.1 Ų | 61.1 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 139.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | G406 H442 | G406-A440 WeakPolarHBondContact O-CB 3.39Å; A440-H442 PolarHBondContact O-N 3.5Å; A440-H442 VanDerWaalsContact O-N 3.12Å; A440-H442 PolarHBondContact O-ND1 3.43Å |
| 441 | G | 93.5 | Very high | 90.3 | Very high | 44 Ų | 44 | 57.7 Ų | 57.7 | 45% | 0.454 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | -13 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | K403 N404 K439 | K403-G441 WeakPolarHBondContact CE-O 3.41Å; N404-G441 VanDerWaalsContact O-CA 3.24Å; N404-G441 WeakPolarHBondContact O-CA 3.23Å; N404-G441 PolarHBondContact O-N 2.88Å; K439-G441 PolarHBondContact O-N 3.46Å |
| 442 | H | 96 | Very high | 92 | Very high | 94 Ų | 94 | 48.8 Ų | 48.8 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | trans | -84.1 | 157.5 | -174.5 | -67.9 | 49 | 0 | 0 | 0 | 112.5 | K403 N404 K439 A440 | K403-H442 CarbonylContact C-O 3.59Å; K403-H442 WeakPolarHBondContact CA-O 3.45Å; N404-H442 PolarHBondContact N-O 2.79Å; K439-H442 HydrophobicContact CB-CB 4.43Å; K439-H442 WeakPolarHBondContact O-CB 3.38Å; K439-H442 PolarHBondContact O-N 2.94Å; K439-H442 VanDerWaalsContact O-N 3.11Å; A440-H442 PolarHBondContact O-N 3.5Å; A440-H442 VanDerWaalsContact O-N 3.12Å; A440-H442 PolarHBondContact O-ND1 3.43Å | ||
| 443 | V | 96.8 | Very high | 93.4 | Very high | 61 Ų | 61 | 46.2 Ų | 46.2 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 145.6 | 179.8 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | V380 R401 M402 K403 | V380-V443 HydrophobicContact CG2-CG1 4.13Å; R401-V443 HydrophobicContact CG-CG1 3.5Å; R401-V443 VanDerWaalsContact CG-CG1 3.5Å; M402-V443 WeakPolarHBondContact O-CA 3.27Å; K403-V443 HydrophobicContact CB-CG2 3.97Å; K403-V443 HydrophobicContact CD-CG2 4.12Å; K403-V443 HydrophobicContact CG-CG2 3.83Å |
| 444 | G | 94.6 | Very high | 93.8 | Very high | 16 Ų | 16 | 51 Ų | 51 | 17% | 0.165 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 174.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R401 M402 | R401-G444 CarbonylContact C-O 3.59Å; R401-G444 WeakPolarHBondContact CA-O 3.42Å; M402-G444 PolarHBondContact N-O 2.9Å; M402-G444 PolarHBondContact O-N 3.46Å |
| 445 | V | 95.8 | Very high | 94.6 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 38% | 0.382 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 134.1 | -173.6 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | H399 R401 P436 | H399-V445 HydrophobicContact CB-CG1 3.65Å; R401-V445 HydrophobicContact CB-CG2 4.3Å; R401-V445 HydrophobicContact CG-CG2 4.22Å; P436-V445 WeakPolarHBondContact CD-O 3.21Å; P436-V445 WeakPolarHBondContact CG-O 3.25Å |
| 446 | V | 94.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 136.3 | 168.6 | -165.5 | 0 | 0 | 0 | 0 | 108 | H399 W400 M402 L416 V433 V435 | H399-V446 WeakPolarHBondContact CA-O 3.41Å; W400-V446 PolarHBondContact N-O 3.05Å; W400-V446 PolarHBondContact O-N 2.91Å; M402-V446 HydrophobicContact CG-CG2 4.29Å; M402-V446 HydrophobicContact SD-CG2 4Å; L416-V446 HydrophobicContact CB-CG1 3.95Å; L416-V446 HydrophobicContact CD1-CG1 4.47Å; L416-V446 HydrophobicContact CD2-CG1 3.83Å; L416-V446 HydrophobicContact CG-CG1 4.28Å; V433-V446 HydrophobicContact CG1-CG1 4.39Å; V435-V446 HydrophobicContact CG1-CG2 4.11Å; V435-V446 HydrophobicContact CG2-CG1 4.13Å |
| 447 | S | 93.8 | Very high | 95 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 34% | 0.343 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 136.8 | -166.1 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | K398 H399 V433 | K398-S447 WeakPolarHBondContact O-CA 3.46Å; H399-S447 PolarHBondContact CE1-OG 2.75Å; H399-S447 WeakPolarHBondContact ND1-CB 3.31Å; H399-S447 PolarHBondContact ND1-OG 2.88Å; V433-S447 VanDerWaalsContact CG1-O 3.23Å; V433-S447 WeakPolarHBondContact CG1-O 3.37Å |
| 448 | V | 94.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.03 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 130.5 | 172.3 | 179 | 0 | 0 | 0 | 0 | 110 | I397 K398 W400 L416 L425 V433 F450 W463 | I397-V448 WeakPolarHBondContact CA-O 3.16Å; K398-V448 PolarHBondContact N-O 2.76Å; K398-V448 PolarHBondContact O-N 2.91Å; W400-V448 HydrophobicContact CH2-CB 4.35Å; W400-V448 HydrophobicContact CH2-CG2 4.18Å; W400-V448 HydrophobicContact CZ3-CB 4.19Å; W400-V448 HydrophobicContact CZ3-CG2 3.74Å; L416-V448 HydrophobicContact CD2-CG2 4.05Å; L425-V448 HydrophobicContact CD2-CG1 4.26Å; L425-V448 HydrophobicContact CG-CG1 4.31Å; V433-V448 HydrophobicContact CB-CG2 4.23Å; V433-V448 HydrophobicContact CG1-CG2 3.74Å; V433-V448 HydrophobicContact CG2-CG2 3.71Å; V448-F450 HydrophobicContact CB-CD2 4.46Å; V448-F450 HydrophobicContact CB-CE2 3.79Å; V448-F450 HydrophobicContact CB-CZ 3.87Å; V448-F450 HydrophobicContact CG1-CD1 4.15Å; V448-F450 HydrophobicContact CG1-CD2 4.15Å; V448-F450 HydrophobicContact CG1-CE1 3.62Å; V448-F450 HydrophobicContact CG1-CE2 3.64Å; V448-F450 HydrophobicContact CG1-CG 4.39Å; V448-F450 HydrophobicContact CG1-CZ 3.34Å; V448-W463 HydrophobicContact CG1-CH2 4.47Å; V448-W463 HydrophobicContact CG1-CZ2 4.06Å; V448-W463 HydrophobicContact CG2-CZ2 4.46Å |
| 449 | E | 94.6 | Very high | 95.3 | Very high | 83 Ų | 83 | 54.6 Ų | 54.6 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.8 | 173.8 | -162.9 | -167 | 152.9 | 0 | 0 | 110.2 | F396 I397 A426 | F396-E449 CarbonylContact O-C 3.45Å; F396-E449 WeakPolarHBondContact O-CA 3.15Å; I397-E449 HydrophobicContact CG1-CB 4.22Å; I397-E449 HydrophobicContact CG1-CG 3.99Å; A426-E449 HydrophobicContact CB-CB 3.89Å; A426-E449 VanDerWaalsContact CB-CD 3.42Å; A426-E449 HydrophobicContact CB-CG 3.43Å; A426-E449 VanDerWaalsContact CB-CG 3.43Å; A426-E449 VanDerWaalsContact CB-OE1 3.27Å; A426-E449 WeakPolarHBondContact CB-OE1 3.24Å; A426-E449 PolarHBondContact N-O 3.48Å |
| 450 | F | 95.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 155.8 | -178.3 | -66.4 | -69.7 | 0 | 0 | 0 | 110.8 | K395 F396 K398 W400 L423 T424 L425 V448 S461 W463 C478 | K395-F450 WeakPolarHBondContact CA-O 3.49Å; F396-F450 HydrophobicContact CD1-CB 4.27Å; F396-F450 HydrophobicContact CD2-CB 4.27Å; F396-F450 HydrophobicContact CD2-CD2 4.48Å; F396-F450 HydrophobicContact CE1-CB 3.74Å; F396-F450 HydrophobicContact CE2-CB 3.76Å; F396-F450 AromaticContact CE2-CD2 3.81Å; F396-F450 HydrophobicContact CE2-CD2 3.81Å; F396-F450 HydrophobicContact CE2-CG 4.2Å; F396-F450 HydrophobicContact CZ-CB 3.48Å; F396-F450 VanDerWaalsContact CZ-CB 3.48Å; F396-F450 HydrophobicContact CZ-CD2 4.22Å; F396-F450 HydrophobicContact CZ-CG 4.17Å; F396-F450 PolarHBondContact N-O 2.89Å; F396-F450 PolarHBondContact O-N 2.9Å; K398-F450 HydrophobicContact CB-CD2 4.04Å; K398-F450 HydrophobicContact CB-CE2 3.82Å; W400-F450 HydrophobicContact CH2-CE2 4.37Å; W400-F450 HydrophobicContact CH2-CZ 4.45Å; L423-F450 HydrophobicContact CD1-CB 4.39Å; L423-F450 HydrophobicContact CD2-CB 4.16Å; L423-F450 HydrophobicContact CD2-CD1 3.76Å; L423-F450 HydrophobicContact CD2-CD2 4.05Å; L423-F450 HydrophobicContact CD2-CE1 4.1Å; L423-F450 HydrophobicContact CD2-CE2 4.35Å; L423-F450 HydrophobicContact CD2-CG 3.74Å; L423-F450 HydrophobicContact CD2-CZ 4.38Å; L423-F450 HydrophobicContact CG-CB 4.25Å; L423-F450 HydrophobicContact CG-CD1 3.76Å; L423-F450 HydrophobicContact CG-CE1 4.29Å; L423-F450 HydrophobicContact CG-CG 4.07Å; T424-F450 WeakPolarHBondContact O-CA 3.44Å; L425-F450 HydrophobicContact CD1-CE1 4.25Å; L425-F450 HydrophobicContact CG-CD1 4.29Å; L425-F450 HydrophobicContact CG-CE1 4.16Å; V448-F450 HydrophobicContact CB-CD2 4.46Å; V448-F450 HydrophobicContact CB-CE2 3.79Å; V448-F450 HydrophobicContact CB-CZ 3.87Å; V448-F450 HydrophobicContact CG1-CD1 4.15Å; V448-F450 HydrophobicContact CG1-CD2 4.15Å; V448-F450 HydrophobicContact CG1-CE1 3.62Å; V448-F450 HydrophobicContact CG1-CE2 3.64Å; V448-F450 HydrophobicContact CG1-CG 4.39Å; V448-F450 HydrophobicContact CG1-CZ 3.34Å; F450-S461 WeakPolarHBondContact CE1-OG 3.42Å; F450-W463 HydrophobicContact CE1-CZ2 4.19Å; F450-W463 HydrophobicContact CZ-CZ2 4.21Å; F450-W463 AromaticContact CZ-NE1 3.62Å; F450-C478 HydrophobicContact CE2-CB 4.05Å |
| 451 | I | 95.8 | Very high | 95.4 | Very high | 48 Ų | 48 | 48.2 Ų | 48.2 | 25% | 0.246 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.2 | 165 | -75 | 165.7 | 0 | 0 | 0 | 106.9 | T394 K395 L423 T424 A426 P453 | T394-I451 WeakPolarHBondContact O-CA 3.49Å; K395-I451 HydrophobicContact CG-CD1 4.42Å; K395-I451 HydrophobicContact CG-CG1 3.71Å; L423-I451 WeakPolarHBondContact CD1-O 3.44Å; T424-I451 PolarHBondContact O-N 2.8Å; T424-I451 PolarHBondContact OG1-O 2.99Å; A426-I451 HydrophobicContact CB-CD1 4.16Å; A426-I451 HydrophobicContact CB-CG1 3.87Å; I451-P453 WeakPolarHBondContact O-CD 3.13Å |
| 452 | A | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -62.1 | 124.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | L390 G393 T394 F396 I480 V482 | L390-A452 HydrophobicContact CB-CB 4.27Å; G393-A452 WeakPolarHBondContact CA-O 3.44Å; G393-A452 PolarHBondContact N-O 3.39Å; T394-A452 PolarHBondContact O-N 2.86Å; F396-A452 HydrophobicContact CE1-CB 4.32Å; A452-I480 HydrophobicContact CB-CD1 3.97Å; A452-V482 HydrophobicContact CB-CG2 4.01Å | ||
| 453 | P | 95.7 | Very high | 95.5 | Very high | 17 Ų | 17 | 43 Ų | 43 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | trans | -57.4 | 166.9 | 179.9 | -31.8 | 40.8 | 0 | 0 | 0 | 114.3 | P392 G393 I451 Y459 | P392-P453 VanDerWaalsContact CA-O 3.29Å; P392-P453 WeakPolarHBondContact CA-O 3.4Å; P392-P453 WeakPolarHBondContact CB-O 3.23Å; G393-P453 PolarHBondContact N-O 2.83Å; I451-P453 WeakPolarHBondContact O-CD 3.13Å; P453-Y459 HydrophobicContact CB-CD1 4.45Å; P453-Y459 HydrophobicContact CB-CE1 3.97Å; P453-Y459 HydrophobicContact CB-CE2 4.06Å; P453-Y459 HydrophobicContact CG-CD1 3.65Å; P453-Y459 HydrophobicContact CG-CD2 4.1Å; P453-Y459 HydrophobicContact CG-CE1 3.63Å; P453-Y459 HydrophobicContact CG-CE2 4.08Å; P453-Y459 HydrophobicContact CG-CG 3.89Å | ||
| 454 | T | 93.8 | Very high | 95.5 | Very high | 119 Ų | 119 | 44.1 Ų | 44.1 | 73% | 0.73 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -83.2 | -10.3 | 180 | 48.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 455 | L | 95.2 | Very high | 95.6 | Very high | 114 Ų | 114 | 43.3 Ų | 43.3 | 60% | 0.597 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -103.7 | 145.1 | 176.5 | -176.7 | 66.5 | 0 | 0 | 0 | 109.1 | Y459 V482 | L455-Y459 WeakPolarHBondContact O-CE2 3.32Å; L455-Y459 PolarHBondContact O-OH 2.82Å; L455-V482 WeakPolarHBondContact O-CG1 3.18Å |
| 456 | E | 95 | Very high | 95.6 | Very high | 116 Ų | 116 | 40.8 Ų | 40.8 | 54% | 0.542 | 22% | 0.223 | S | C | . | . | trans | -65.8 | 158.4 | 175.7 | 61.2 | 179.2 | -171.7 | 0 | 0 | 113.1 | V482 P484 | E456-V482 CarbonylContact C-O 3.57Å; E456-V482 VanDerWaalsContact CA-O 3.28Å; E456-V482 WeakPolarHBondContact CA-O 3.41Å; E456-P484 WeakPolarHBondContact OE2-CB 3.28Å | ||
| 457 | G | 94.4 | Very high | 95.5 | Very high | 30 Ų | 30 | 41.7 Ų | 41.7 | 31% | 0.309 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 120.8 | -172.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y459 V482 | G457-Y459 VanDerWaalsContact O-CD2 3.24Å; G457-Y459 WeakPolarHBondContact O-CD2 3.33Å; G457-V482 PolarHBondContact N-O 3.29Å; G457-V482 PolarHBondContact O-N 3.45Å |
| 458 | T | 96.8 | Very high | 95.4 | Very high | 86 Ų | 86 | 46.5 Ų | 46.5 | 53% | 0.528 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 127.9 | -173.4 | -44.8 | 0 | 0 | 0 | 0 | 112.4 | N422 I480 I481 | N422-T458 PolarHBondContact ND2-O 2.84Å; T458-I480 WeakPolarHBondContact CA-O 3.45Å; T458-I481 HydrophobicContact CG2-CG1 4.44Å |
| 459 | Y | 97.3 | Very high | 95.1 | Very high | 29 Ų | 29 | 49.1 Ų | 49.1 | 11% | 0.114 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 129.6 | -178.7 | -66.9 | -85.1 | 0 | 0 | 0 | 112 | N422 P453 L455 G457 S479 I480 V482 | N422-Y459 HydrophobicContact CB-CD1 4.1Å; N422-Y459 WeakPolarHBondContact ND2-CD1 3.41Å; N422-Y459 WeakPolarHBondContact OD1-CA 3.43Å; P453-Y459 HydrophobicContact CB-CD1 4.45Å; P453-Y459 HydrophobicContact CB-CE1 3.97Å; P453-Y459 HydrophobicContact CB-CE2 4.06Å; P453-Y459 HydrophobicContact CG-CD1 3.65Å; P453-Y459 HydrophobicContact CG-CD2 4.1Å; P453-Y459 HydrophobicContact CG-CE1 3.63Å; P453-Y459 HydrophobicContact CG-CE2 4.08Å; P453-Y459 HydrophobicContact CG-CG 3.89Å; L455-Y459 WeakPolarHBondContact O-CE2 3.32Å; L455-Y459 PolarHBondContact O-OH 2.82Å; G457-Y459 VanDerWaalsContact O-CD2 3.24Å; G457-Y459 WeakPolarHBondContact O-CD2 3.33Å; Y459-S479 WeakPolarHBondContact O-CA 3.37Å; Y459-I480 PolarHBondContact N-O 2.71Å; Y459-I480 PolarHBondContact O-N 2.95Å; Y459-V482 HydrophobicContact CD2-CB 4.24Å; Y459-V482 HydrophobicContact CD2-CG2 3.69Å; Y459-V482 HydrophobicContact CE2-CB 4.14Å; Y459-V482 HydrophobicContact CE2-CG2 3.94Å |
| 460 | T | 97.1 | Very high | 95 | Very high | 37 Ų | 37 | 52.1 Ų | 52.1 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 153 | -176.8 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | G421 N422 L423 C478 | G421-T460 CarbonylContact C-O 3.6Å; G421-T460 WeakPolarHBondContact CA-O 2.78Å; N422-T460 PolarHBondContact N-O 3.31Å; N422-T460 PolarHBondContact OD1-N 2.9Å; N422-T460 PolarHBondContact OD1-OG1 2.86Å; L423-T460 WeakPolarHBondContact CB-O 3.3Å; L423-T460 PolarHBondContact N-O 3.42Å; T460-C478 CarbonylContact C-O 3.53Å; T460-C478 WeakPolarHBondContact CA-O 3.38Å |
| 461 | S | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 117 | 173.1 | -154.9 | 0 | 0 | 0 | 0 | 110.5 | F450 W463 W477 C478 | F450-S461 WeakPolarHBondContact CE1-OG 3.42Å; S461-W463 PolarHBondContact OG-NE1 2.87Å; S461-W477 CarbonylContact O-C 3.55Å; S461-W477 WeakPolarHBondContact O-CA 3.28Å; S461-W477 WeakPolarHBondContact O-CB 3.42Å; S461-C478 PolarHBondContact N-O 2.92Å; S461-C478 PolarHBondContact O-N 3.17Å |
| 462 | H | 96.3 | Very high | 95 | Very high | 27 Ų | 27 | 54.9 Ų | 54.9 | 13% | 0.125 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 138.4 | -177 | -61.6 | -93 | 0 | 0 | 0 | 112.3 | M419 W420 R475 W477 | M419-H462 HydrophobicContact CB-CB 4.42Å; M419-H462 WeakPolarHBondContact CB-O 3.44Å; M419-H462 PolarHBondContact N-O 2.87Å; W420-H462 AromaticContact CD1-CD2 3.41Å; W420-H462 VanDerWaalsContact CD1-CD2 3.41Å; W420-H462 HydrophobicContact CD2-CB 4.26Å; W420-H462 AromaticContact CE2-CD2 3.78Å; W420-H462 AromaticContact CE2-CG 3.78Å; W420-H462 HydrophobicContact CZ2-CB 4.2Å; W420-H462 AromaticContact NE1-CD2 2.99Å; W420-H462 PolarHBondContact NE1-CD2 2.98Å; W420-H462 AromaticContact NE1-CG 3.46Å; W420-H462 AromaticContact NE1-NE2 3.51Å; W420-H462 PolarHBondContact O-N 3.5Å; H462-R475 HydrophobicContact CB-CG 4.38Å; H462-W477 HydrophobicContact CB-CB 4.29Å; H462-W477 AromaticContact CE1-CG 3.73Å; H462-W477 WeakPolarHBondContact ND1-CB 3.4Å; H462-W477 AromaticContact ND1-CD2 3.93Å; H462-W477 AromaticContact ND1-CG 3.57Å |
| 463 | W | 96.1 | Very high | 95 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 153.9 | -167.7 | -63.3 | 81.6 | 0 | 0 | 0 | 111.8 | W400 L416 K417 F418 L425 V433 V448 F450 S461 R475 V476 | W400-W463 AromaticContact CH2-CD1 3.59Å; W400-W463 HydrophobicContact CH2-CG 4.01Å; L416-W463 HydrophobicContact CD1-CB 4.03Å; L416-W463 HydrophobicContact CD2-CB 3.8Å; L416-W463 HydrophobicContact CD2-CD2 3.97Å; L416-W463 HydrophobicContact CD2-CE3 3.78Å; L416-W463 HydrophobicContact CD2-CG 3.98Å; L416-W463 HydrophobicContact CG-CB 3.87Å; L416-W463 HydrophobicContact CG-CD2 4.38Å; L416-W463 HydrophobicContact CG-CE3 3.88Å; L416-W463 HydrophobicContact CG-CG 4.41Å; K417-W463 VanDerWaalsContact C-CE3 3.47Å; K417-W463 WeakPolarHBondContact O-CA 3.42Å; F418-W463 HydrophobicContact CB-CD2 4.45Å; F418-W463 HydrophobicContact CB-CE3 4.06Å; F418-W463 HydrophobicContact CB-CH2 3.77Å; F418-W463 HydrophobicContact CB-CZ2 4.19Å; F418-W463 HydrophobicContact CB-CZ3 3.71Å; F418-W463 HydrophobicContact CD2-CD2 4.44Å; F418-W463 AromaticContact CD2-CE2 3.88Å; F418-W463 HydrophobicContact CD2-CH2 4.2Å; F418-W463 AromaticContact CD2-CZ2 3.76Å; F418-W463 HydrophobicContact CD2-CZ2 3.76Å; F418-W463 HydrophobicContact CG-CH2 4.4Å; F418-W463 HydrophobicContact CG-CZ2 4.4Å; F418-W463 VanDerWaalsContact N-CE3 3.29Å; L425-W463 HydrophobicContact CD1-CH2 4.3Å; L425-W463 HydrophobicContact CD1-CZ2 4.01Å; L425-W463 HydrophobicContact CD2-CH2 3.96Å; L425-W463 HydrophobicContact CD2-CZ2 4.27Å; L425-W463 HydrophobicContact CG-CZ2 4.37Å; V433-W463 HydrophobicContact CB-CZ3 4.5Å; V433-W463 HydrophobicContact CG2-CH2 4.03Å; V433-W463 HydrophobicContact CG2-CZ3 3.72Å; V448-W463 HydrophobicContact CG1-CH2 4.47Å; V448-W463 HydrophobicContact CG1-CZ2 4.06Å; V448-W463 HydrophobicContact CG2-CZ2 4.46Å; F450-W463 HydrophobicContact CE1-CZ2 4.19Å; F450-W463 HydrophobicContact CZ-CZ2 4.21Å; F450-W463 AromaticContact CZ-NE1 3.62Å; S461-W463 PolarHBondContact OG-NE1 2.87Å; W463-R475 WeakPolarHBondContact O-CA 3.35Å; W463-V476 HydrophobicContact CB-CG2 4.08Å; W463-V476 PolarHBondContact N-O 3.38Å; W463-V476 PolarHBondContact O-N 2.85Å |
| 464 | R | 96.3 | Very high | 95 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 32% | 0.317 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 146.4 | 174 | -166.6 | 168.7 | -166.8 | -167.3 | 6.4 | 111.9 | K417 M419 G473 | K417-R464 PolarHBondContact N-O 2.87Å; K417-R464 PolarHBondContact O-N 2.9Å; M419-R464 HydrophobicContact CE-CB 4.45Å; M419-R464 HydrophobicContact CG-CB 4.19Å; M419-R464 HydrophobicContact SD-CB 3.66Å; R464-G473 PolarHBondContact NE-O 3.25Å; R464-G473 PolarHBondContact NH2-O 3.36Å |
| 465 | L | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 140.6 | 175.1 | -68.7 | 173.7 | 0 | 0 | 0 | 110.9 | A377 M402 W410 L416 V435 Q471 F472 | A377-L465 HydrophobicContact CB-CD1 3.64Å; M402-L465 HydrophobicContact CE-CD1 3.71Å; M402-L465 HydrophobicContact CE-CG 4.15Å; M402-L465 HydrophobicContact SD-CD1 3.81Å; M402-L465 HydrophobicContact SD-CD2 4.43Å; M402-L465 HydrophobicContact SD-CG 4.09Å; W410-L465 HydrophobicContact CH2-CD1 3.51Å; W410-L465 HydrophobicContact CZ2-CD1 3.82Å; W410-L465 HydrophobicContact CZ3-CD1 4.02Å; L416-L465 HydrophobicContact CB-CD2 4.34Å; L416-L465 HydrophobicContact CD1-CD2 3.84Å; L416-L465 HydrophobicContact CD1-CG 4.17Å; V435-L465 HydrophobicContact CB-CD2 4.48Å; V435-L465 HydrophobicContact CG1-CD2 3.89Å; V435-L465 HydrophobicContact CG2-CD2 3.72Å; L465-Q471 CarbonylContact O-C 3.58Å; L465-Q471 WeakPolarHBondContact O-CA 3.23Å; L465-F472 HydrophobicContact CB-CD1 4.14Å; L465-F472 HydrophobicContact CB-CD2 4.49Å; L465-F472 HydrophobicContact CB-CE1 3.72Å; L465-F472 HydrophobicContact CB-CE2 4.13Å; L465-F472 HydrophobicContact CB-CZ 3.73Å; L465-F472 HydrophobicContact CD1-CE2 3.98Å; L465-F472 HydrophobicContact CD1-CZ 4.01Å; L465-F472 HydrophobicContact CG-CZ 4.44Å; L465-F472 PolarHBondContact O-N 3.48Å |
| 466 | S | 95.1 | Very high | 95.3 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 134.7 | 177.4 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | T414 K415 G469 Q470 | T414-S466 CarbonylContact C-O 3.6Å; T414-S466 WeakPolarHBondContact CA-O 3.47Å; K415-S466 PolarHBondContact N-O 2.79Å; K415-S466 PolarHBondContact O-N 3.3Å; S466-G469 VanDerWaalsContact OG-C 3.29Å; S466-G469 WeakPolarHBondContact OG-CA 3.49Å; S466-G469 PolarHBondContact OG-O 3.45Å; S466-Q470 CarbonylContact C-O 3.55Å; S466-Q470 VanDerWaalsContact CA-O 3.3Å; S466-Q470 WeakPolarHBondContact CA-O 3.36Å |
| 467 | H | 94.3 | Very high | 95.4 | Very high | 19 Ų | 19 | 49.5 Ų | 49.5 | 9% | 0.088 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 121 | 173.4 | 179.7 | 92.6 | 0 | 0 | 0 | 108.6 | L375 S411 D413 T414 G469 Q470 F472 | L375-H467 HydrophobicContact CD1-CB 3.83Å; L375-H467 HydrophobicContact CD2-CB 4.08Å; S411-H467 PolarHBondContact OG-CE1 3.34Å; S411-H467 VanDerWaalsContact OG-CE1 3.22Å; D413-H467 WeakPolarHBondContact O-CA 3.42Å; D413-H467 IonicContact OD2-CE1 3.86Å; T414-H467 PolarHBondContact OG1-ND1 3.11Å; H467-G469 PolarHBondContact O-N 3.03Å; H467-G469 VanDerWaalsContact O-N 3.12Å; H467-Q470 PolarHBondContact N-O 3.46Å; H467-Q470 PolarHBondContact O-N 3.08Å; H467-F472 HydrophobicContact CB-CD1 4.23Å; H467-F472 HydrophobicContact CB-CE1 3.77Å |
| 468 | K | 91.3 | Very high | 95.5 | Very high | 150 Ų | 150 | 48.1 Ų | 48.1 | 65% | 0.652 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 33.2 | -176.3 | -60.9 | 173.7 | -177.7 | 166.9 | 0 | 113.2 | D413 | D413-K468 HydrophobicContact CB-CD 4.36Å; D413-K468 HydrophobicContact CB-CG 3.55Å; D413-K468 PolarHBondContact O-N 3.47Å; D413-K468 VanDerWaalsContact O-N 3.09Å; D413-K468 WeakPolarHBondContact OD2-CE 3.34Å; D413-K468 IonicContact OD2-NZ 3.65Å |
| 469 | G | 87.8 | Confident | 95.6 | Very high | 60 Ų | 60 | 45 Ų | 45 | 62% | 0.619 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89 | -16.5 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | S466 H467 | S466-G469 VanDerWaalsContact OG-C 3.29Å; S466-G469 WeakPolarHBondContact OG-CA 3.49Å; S466-G469 PolarHBondContact OG-O 3.45Å; H467-G469 PolarHBondContact O-N 3.03Å; H467-G469 VanDerWaalsContact O-N 3.12Å |
| 470 | Q | 92.9 | Very high | 95.6 | Very high | 147 Ų | 147 | 43.6 Ų | 43.6 | 69% | 0.687 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 121.7 | 177.8 | -66.3 | -174.5 | -12.7 | 0 | 0 | 111 | S466 H467 | S466-Q470 CarbonylContact C-O 3.55Å; S466-Q470 VanDerWaalsContact CA-O 3.3Å; S466-Q470 WeakPolarHBondContact CA-O 3.36Å; H467-Q470 PolarHBondContact N-O 3.46Å; H467-Q470 PolarHBondContact O-N 3.08Å |
| 471 | Q | 95.1 | Very high | 95.6 | Very high | 89 Ų | 89 | 44 Ų | 44 | 42% | 0.416 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 138.5 | 179.8 | -66 | 176.3 | 62.5 | 0 | 0 | 111.8 | L465 | L465-Q471 CarbonylContact O-C 3.58Å; L465-Q471 WeakPolarHBondContact O-CA 3.23Å |
| 472 | F | 96 | Very high | 95.6 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 169.7 | 178.9 | 72.5 | -80.9 | 0 | 0 | 0 | 112.1 | L375 A377 W410 T414 L465 H467 | L375-F472 HydrophobicContact CB-CB 4.3Å; L375-F472 HydrophobicContact CB-CD1 4.26Å; L375-F472 HydrophobicContact CB-CD2 4Å; L375-F472 HydrophobicContact CB-CE2 4.38Å; L375-F472 HydrophobicContact CB-CG 3.94Å; L375-F472 HydrophobicContact CD2-CE1 4.47Å; L375-F472 HydrophobicContact CD2-CZ 4.36Å; A377-F472 HydrophobicContact CB-CD2 4.35Å; A377-F472 HydrophobicContact CB-CE2 4.11Å; W410-F472 HydrophobicContact CD2-CZ 4.5Å; W410-F472 AromaticContact CE2-CE2 3.86Å; W410-F472 AromaticContact CE2-CZ 3.96Å; W410-F472 AromaticContact CZ2-CE2 3.99Å; W410-F472 HydrophobicContact CZ2-CE2 3.99Å; W410-F472 HydrophobicContact CZ2-CZ 4.38Å; W410-F472 AromaticContact NE1-CE2 3.61Å; W410-F472 AromaticContact NE1-CZ 3.74Å; T414-F472 HydrophobicContact CG2-CE1 4.11Å; T414-F472 HydrophobicContact CG2-CZ 3.91Å; L465-F472 HydrophobicContact CB-CD1 4.14Å; L465-F472 HydrophobicContact CB-CD2 4.49Å; L465-F472 HydrophobicContact CB-CE1 3.72Å; L465-F472 HydrophobicContact CB-CE2 4.13Å; L465-F472 HydrophobicContact CB-CZ 3.73Å; L465-F472 HydrophobicContact CD1-CE2 3.98Å; L465-F472 HydrophobicContact CD1-CZ 4.01Å; L465-F472 HydrophobicContact CG-CZ 4.44Å; L465-F472 PolarHBondContact O-N 3.48Å; H467-F472 HydrophobicContact CB-CD1 4.23Å; H467-F472 HydrophobicContact CB-CE1 3.77Å |
| 473 | G | 95.9 | Very high | 95.6 | Very high | 18 Ų | 18 | 45 Ų | 45 | 19% | 0.186 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 69.8 | -173.5 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | R464 | R464-G473 PolarHBondContact NE-O 3.25Å; R464-G473 PolarHBondContact NH2-O 3.36Å |
| 474 | P | 96.6 | Very high | 95.3 | Very high | 42 Ų | 42 | 48.5 Ų | 48.5 | 27% | 0.273 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 161.1 | 176.1 | 31.3 | -36.9 | 0 | 0 | 0 | 111.9 | A377 F379 M402 | A377-P474 WeakPolarHBondContact O-CD 3.25Å; F379-P474 HydrophobicContact CB-CG 4.34Å; M402-P474 HydrophobicContact CE-CG 3.98Å |
| 475 | R | 96.8 | Very high | 94.8 | Very high | 102 Ų | 102 | 51 Ų | 51 | 39% | 0.385 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 134.7 | 160.4 | -177.9 | 178.7 | 68.5 | -143.4 | 3.2 | 107.9 | M419 H462 W463 W477 | M419-R475 HydrophobicContact SD-CB 4.48Å; M419-R475 HydrophobicContact SD-CG 3.86Å; H462-R475 HydrophobicContact CB-CG 4.38Å; W463-R475 WeakPolarHBondContact O-CA 3.35Å; R475-W477 HydrophobicContact CG-CE3 4.29Å; R475-W477 WeakPolarHBondContact O-CZ3 3.32Å |
| 476 | V | 97.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 156.8 | 172.8 | -60.5 | 0 | 0 | 0 | 0 | 108.9 | F379 W400 M402 L416 W463 | F379-V476 HydrophobicContact CD2-CG1 4.12Å; W400-V476 HydrophobicContact CB-CG2 4.49Å; W400-V476 HydrophobicContact CD2-CB 4.07Å; W400-V476 HydrophobicContact CD2-CG2 3.67Å; W400-V476 HydrophobicContact CE3-CG2 4.03Å; W400-V476 HydrophobicContact CG-CB 3.88Å; W400-V476 HydrophobicContact CG-CG1 4.4Å; W400-V476 HydrophobicContact CG-CG2 3.9Å; W400-V476 HydrophobicContact CZ2-CG2 4.38Å; M402-V476 HydrophobicContact CE-CG1 3.94Å; M402-V476 HydrophobicContact SD-CG1 4.44Å; L416-V476 HydrophobicContact CD1-CG2 4.23Å; W463-V476 HydrophobicContact CB-CG2 4.08Å; W463-V476 PolarHBondContact N-O 3.38Å; W463-V476 PolarHBondContact O-N 2.85Å |
| 477 | W | 97.2 | Very high | 92.2 | Very high | 87 Ų | 87 | 60.2 Ų | 60.2 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 169 | -175.5 | 61.7 | 84.6 | 0 | 0 | 0 | 114 | D386 K398 W400 S461 H462 R475 | D386-W477 PolarHBondContact OD1-NE1 3.49Å; D386-W477 PolarHBondContact OD2-NE1 2.81Å; K398-W477 WeakPolarHBondContact CE-O 3.38Å; K398-W477 PolarHBondContact NZ-O 2.89Å; W400-W477 PolarHBondContact NE1-O 3.4Å; S461-W477 CarbonylContact O-C 3.55Å; S461-W477 WeakPolarHBondContact O-CA 3.28Å; S461-W477 WeakPolarHBondContact O-CB 3.42Å; H462-W477 HydrophobicContact CB-CB 4.29Å; H462-W477 AromaticContact CE1-CG 3.73Å; H462-W477 WeakPolarHBondContact ND1-CB 3.4Å; H462-W477 AromaticContact ND1-CD2 3.93Å; H462-W477 AromaticContact ND1-CG 3.57Å; R475-W477 HydrophobicContact CG-CE3 4.29Å; R475-W477 WeakPolarHBondContact O-CZ3 3.32Å |
| 478 | C | 97.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.007 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134.1 | 168.8 | -177 | 0 | 0 | 0 | 0 | 108 | K398 W400 L423 F450 T460 S461 | K398-C478 HydrophobicContact CB-CB 4.33Å; K398-C478 HydrophobicContact CD-CB 3.99Å; K398-C478 HydrophobicContact CG-CB 3.94Å; W400-C478 HydrophobicContact CZ2-CB 4.37Å; L423-C478 HydrophobicContact CD2-CB 4.15Å; F450-C478 HydrophobicContact CE2-CB 4.05Å; T460-C478 CarbonylContact C-O 3.53Å; T460-C478 WeakPolarHBondContact CA-O 3.38Å; S461-C478 PolarHBondContact N-O 2.92Å; S461-C478 PolarHBondContact O-N 3.17Å |
| 479 | S | 97.4 | Very high | 88 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 14% | 0.14 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 124.6 | 168 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | D386 G387 Y459 | D386-S479 WeakPolarHBondContact CA-O 3.26Å; D386-S479 WeakPolarHBondContact OD1-CB 3.25Å; D386-S479 PolarHBondContact OD1-N 2.69Å; D386-S479 VanDerWaalsContact OD1-N 3.11Å; G387-S479 PolarHBondContact N-O 3.41Å; Y459-S479 WeakPolarHBondContact O-CA 3.37Å |
| 480 | I | 97.8 | Very high | 85.9 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 161.9 | 175.5 | 66.6 | 163.6 | 0 | 0 | 0 | 110.5 | T388 L390 F396 L423 A452 T458 Y459 V482 | T388-I480 VanDerWaalsContact O-CA 3.32Å; T388-I480 WeakPolarHBondContact O-CA 3.49Å; T388-I480 WeakPolarHBondContact O-CB 2.96Å; L390-I480 HydrophobicContact CD1-CB 4.3Å; L390-I480 HydrophobicContact CD1-CD1 3.98Å; L390-I480 HydrophobicContact CD1-CG2 3.91Å; F396-I480 HydrophobicContact CE1-CD1 3.93Å; F396-I480 HydrophobicContact CE2-CG2 4.22Å; F396-I480 HydrophobicContact CZ-CD1 3.96Å; F396-I480 HydrophobicContact CZ-CG2 3.79Å; L423-I480 HydrophobicContact CD1-CD1 3.67Å; L423-I480 HydrophobicContact CD1-CG1 4.13Å; A452-I480 HydrophobicContact CB-CD1 3.97Å; T458-I480 WeakPolarHBondContact CA-O 3.45Å; Y459-I480 PolarHBondContact N-O 2.71Å; Y459-I480 PolarHBondContact O-N 2.95Å; I480-V482 HydrophobicContact CD1-CG2 3.95Å |
| 481 | I | 97.3 | Very high | 83.5 | Confident | 46 Ų | 46 | 67.9 Ų | 67.9 | 24% | 0.236 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.9 | 164.5 | -64 | 169.1 | 0 | 0 | 0 | 106.9 | T388 H389 L390 T458 | T388-I481 PolarHBondContact O-N 3.34Å; H389-I481 CarbonylContact C-O 3.45Å; H389-I481 WeakPolarHBondContact CA-O 3.47Å; L390-I481 PolarHBondContact N-O 2.95Å; T458-I481 HydrophobicContact CG2-CG1 4.44Å |
| 482 | V | 97.4 | Very high | 80.7 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.012 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 121.1 | 169.4 | 178 | 0 | 0 | 0 | 0 | 108 | L390 P392 A452 L455 E456 G457 Y459 I480 | L390-V482 WeakPolarHBondContact O-CA 3.16Å; P392-V482 HydrophobicContact CB-CG1 3.92Å; P392-V482 HydrophobicContact CG-CG1 3.71Å; A452-V482 HydrophobicContact CB-CG2 4.01Å; L455-V482 WeakPolarHBondContact O-CG1 3.18Å; E456-V482 CarbonylContact C-O 3.57Å; E456-V482 VanDerWaalsContact CA-O 3.28Å; E456-V482 WeakPolarHBondContact CA-O 3.41Å; G457-V482 PolarHBondContact N-O 3.29Å; G457-V482 PolarHBondContact O-N 3.45Å; Y459-V482 HydrophobicContact CD2-CB 4.24Å; Y459-V482 HydrophobicContact CD2-CG2 3.69Å; Y459-V482 HydrophobicContact CE2-CB 4.14Å; Y459-V482 HydrophobicContact CE2-CG2 3.94Å; I480-V482 HydrophobicContact CD1-CG2 3.95Å |
| 483 | D | 95.1 | Very high | 77.9 | Confident | 44 Ų | 44 | 77.5 Ų | 77.5 | 24% | 0.235 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 153.8 | 175.8 | -66.1 | -46.3 | 0 | 0 | 0 | 111.4 | H389 L390 P392 | H389-D483 IonicContact CE1-OD1 3.07Å; H389-D483 PolarHBondContact CE1-OD1 3.32Å; H389-D483 IonicContact CG-OD1 2.62Å; H389-D483 IonicContact CG-OD2 2.73Å; H389-D483 IonicContact ND1-OD1 3.14Å; H389-D483 PolarHBondContact ND1-OD1 2.85Å; H389-D483 IonicContact ND1-OD2 3.91Å; H389-D483 PolarHBondContact ND1-OD2 3.31Å; L390-D483 PolarHBondContact O-N 3.18Å; L390-D483 VanDerWaalsContact O-N 3.13Å; P392-D483 WeakPolarHBondContact CD-O 3.18Å; P392-D483 VanDerWaalsContact CG-O 3.22Å; P392-D483 WeakPolarHBondContact CG-O 3.42Å |
| 484 | P | 90.6 | Very high | 75.6 | Confident | 76 Ų | 76 | 84.3 Ų | 84.3 | 49% | 0.494 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 149.5 | 163.7 | 23.2 | -32.1 | 0 | 0 | 0 | 111.4 | E456 | E456-P484 WeakPolarHBondContact OE2-CB 3.28Š|
| 485 | F | 84.7 | Confident | 72.8 | Confident | 136 Ų | 136 | 91.3 Ų | 91.3 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 134.2 | 165.4 | -72.4 | -73.2 | 0 | 0 | 0 | 109.6 | P392 S487 | P392-F485 HydrophobicContact CB-CD2 4.47Å; P392-F485 HydrophobicContact CB-CE1 4.15Å; P392-F485 HydrophobicContact CB-CE2 3.75Å; P392-F485 HydrophobicContact CB-CZ 3.58Å; P392-F485 HydrophobicContact CG-CD1 4.21Å; P392-F485 HydrophobicContact CG-CD2 3.95Å; P392-F485 HydrophobicContact CG-CE1 4.01Å; P392-F485 HydrophobicContact CG-CE2 3.73Å; P392-F485 HydrophobicContact CG-CG 4.19Å; P392-F485 HydrophobicContact CG-CZ 3.77Å; F485-S487 PolarHBondContact O-N 3.43Å; F485-S487 VanDerWaalsContact O-N 3.1Å |
| 486 | P | 78.8 | Confident | 70 | Confident | 105 Ų | 105 | 98.4 Ų | 98.4 | 68% | 0.682 | 52% | 0.517 | S | S | * | . | trans | -62.9 | 115.3 | 176.1 | 25 | -33 | 0 | 0 | 0 | 110.2 | S488 | P486-S488 PolarHBondContact O-N 2.99Å; P486-S488 VanDerWaalsContact O-N 3.17Å | ||
| 487 | S | 59 | Low | 66.9 | Low | 99 Ų | 99 | 101.7 Ų | 101.7 | 69% | 0.692 | 55% | 0.551 | S | S | * | * | trans | -69.7 | 108.9 | -179.9 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | F485 E489 | F485-S487 PolarHBondContact O-N 3.43Å; F485-S487 VanDerWaalsContact O-N 3.1Å; S487-E489 PolarHBondContact O-N 2.86Å | ||
| 488 | S | 51.8 | Low | 63.8 | Low | 127 Ų | 127 | 105.4 Ų | 105.4 | 89% | 0.888 | 58% | 0.577 | S | S | * | * | trans | -72.7 | 68 | 176.5 | 176.9 | 0 | 0 | 0 | 0 | 111.9 | P486 S490 | P486-S488 PolarHBondContact O-N 2.99Å; P486-S488 VanDerWaalsContact O-N 3.17Å; S488-S490 PolarHBondContact O-N 3.17Å | ||
| 489 | E | 45.5 | Very low | 60.7 | Low | 167 Ų | 167 | 111.8 Ų | 111.8 | 78% | 0.78 | 62% | 0.616 | S | S | * | * | trans | -79.8 | 110.2 | 177.7 | -65 | -152.1 | 138.4 | 0 | 0 | 112.5 | S487 | S487-E489 PolarHBondContact O-N 2.86Š| ||
| 490 | S | 43.3 | Very low | 57.5 | Low | 90 Ų | 90 | 115.8 Ų | 115.8 | 63% | 0.629 | 64% | 0.644 | S | S | * | * | trans | 63.2 | 105.5 | 163 | 68.3 | 0 | 0 | 0 | 0 | 118.7 | S488 | S488-S490 PolarHBondContact O-N 3.17Š| ||
| 491 | L | 41.8 | Very low | 54.2 | Low | 153 Ų | 153 | 120.9 Ų | 120.9 | 80% | 0.801 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -112.5 | 5.6 | 151.1 | -125.9 | 171.7 | 0 | 0 | 0 | 112.3 | ||
| 492 | D | 37.3 | Very low | 51 | Low | 159 Ų | 159 | 123.3 Ų | 123.3 | 85% | 0.85 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 23.3 | -170.2 | -67.5 | -59.8 | 0 | 0 | 0 | 115.1 | ||
| 493 | N | 37.6 | Very low | 48 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | 4.9 | 179.9 | -96.8 | -37.1 | 0 | 0 | 0 | 115.3 | ||
| 494 | I | 46.5 | Very low | 44.9 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | -114.6 | 54.3 | 177.7 | -42.4 | -176.3 | 0 | 0 | 0 | 111.3 | ||||
| 495 | Q | 38.6 | Very low | 42.3 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -140.3 | 48.6 | 169.9 | -151 | -177.4 | 20.6 | 0 | 0 | 114.4 | ||||
| 496 | R | 38.8 | Very low | 39.6 | Very low | 251 Ų | 251 | 136.7 Ų | 136.7 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -150.9 | 59.7 | 165.5 | -153.1 | 175.6 | -59.5 | -123.1 | -0.6 | 113.9 | ||
| 497 | G | 30.8 | Very low | 37.3 | Very low | 73 Ų | 73 | 140 Ų | 140 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -152.6 | 112.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 498 | L | 33.2 | Very low | 35.9 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | 53.5 | 103 | 155.9 | -165.4 | 62.9 | 0 | 0 | 0 | 119.7 | ||||
| 499 | V | 31.8 | Very low | 34.7 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -100.3 | 122.2 | 148.5 | 173.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 500 | S | 29.3 | Very low | 34 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 174.9 | 124.3 | 142.7 | -83.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 501 | S | 28.3 | Very low | 33.3 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 74.1 | 106.6 | 135.1 | -142 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 502 | S | 31.1 | Very low | 32.7 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | 76.7 | 105.8 | 118.2 | 69.7 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 503 | K | 33.7 | Very low | 32.3 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | 75.3 | 144.4 | 115.2 | -80.6 | -159 | 166.6 | -151.4 | 0 | 124.6 | |||||
| 504 | A | 31.2 | Very low | 31.8 | Very low | 78 Ų | 78 | 138 Ų | 138 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | trans | 83.3 | 141.1 | 143.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 505 | D | 34.8 | Very low | 30.7 | Very low | 143 Ų | 143 | 139 Ų | 139 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | cis | -166.7 | -178.8 | -14.9 | -102.8 | -29.5 | 0 | 0 | 0 | 112 | ||||
| 506 | D | 29.3 | Very low | 30.1 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 65% | 0.652 | 74% | 0.741 | S | S | * | * | trans | 97.2 | 107.7 | 150 | -78.3 | 9.9 | 0 | 0 | 0 | 125.4 | ||||
| 507 | F | 30.5 | Very low | 29.4 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 77% | 0.768 | 73% | 0.73 | S | S | * | * | 64.1 | 157.8 | 122.8 | -68.8 | -42.4 | 0 | 0 | 0 | 123.8 | |||||
| 508 | T | 29.3 | Very low | 29.2 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | cis | -161.5 | 175 | 6.3 | 2.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 509 | C | 26.1 | Very low | 28.7 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 63% | 0.628 | 73% | 0.725 | S | S | * | * | cis | -164.8 | -167.4 | -12.4 | -152 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 510 | E | 30.3 | Very low | 28.3 | Very low | 148 Ų | 148 | 133 Ų | 133 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | trans | 68.4 | 152.1 | 163.4 | -49.9 | -50.4 | 97.8 | 0 | 0 | 119.6 | ||||
| 511 | Q | 30.1 | Very low | 28 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 62% | 0.617 | 72% | 0.722 | S | S | * | * | cis | -177.9 | 170.1 | -33.9 | -140.8 | 76.5 | -22 | 0 | 0 | 107.1 | ||||
| 512 | E | 28.7 | Very low | 28 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 71% | 0.71 | 72% | 0.718 | S | S | * | * | cis | -156.6 | 163.7 | -7 | -150.3 | 146.3 | -123.5 | 0 | 0 | 110.9 | ||||
| 513 | E | 29.3 | Very low | 27.6 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | 59.7 | 171.9 | 164 | -57.7 | -132.8 | 120.7 | 0 | 0 | 122.1 | ||||
| 514 | A | 26.6 | Very low | 26.9 | Very low | 76 Ų | 76 | 134 Ų | 134 | 63% | 0.628 | 72% | 0.718 | S | S | * | * | -171.8 | -172.4 | -84.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 515 | F | 22.8 | Very low | 26.4 | Very low | 185 Ų | 185 | 135 Ų | 135 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | trans | 67 | 126.6 | 166.1 | -84.8 | -116.1 | 0 | 0 | 0 | 116.4 | ||||
| 516 | L | 26.1 | Very low | 25.8 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 68% | 0.681 | 72% | 0.72 | S | S | * | * | cis | -159 | 158.3 | 17.9 | -88.9 | 161.8 | 0 | 0 | 0 | 113.6 | ||||
| 517 | L | 24.6 | Very low | 25.7 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 71% | 0.707 | 71% | 0.708 | S | S | * | * | trans | 36.8 | 108.8 | 141.6 | -59.4 | 170.4 | 0 | 0 | 0 | 121.3 | ||||
| 518 | A | 26.9 | Very low | 25.7 | Very low | 91 Ų | 91 | 130.8 Ų | 130.8 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | 171.4 | 129.8 | 100.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 519 | E | 22.6 | Very low | 25.7 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 76% | 0.762 | 71% | 0.707 | S | S | * | * | 59.5 | 122.4 | 53.7 | -59.6 | 178.1 | 155.1 | 0 | 0 | 111.2 | |||||
| 520 | E | 23.5 | Very low | 25.9 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | cis | -147.9 | 167.6 | 12.7 | -130.1 | 175.1 | 161.1 | 0 | 0 | 112.6 | ||||
| 521 | E | 22.6 | Very low | 25.8 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 72% | 0.715 | 70% | 0.703 | S | S | * | * | trans | -3.6 | 136.3 | 151.6 | -68.8 | -169.1 | -175.8 | 0 | 0 | 119.1 | ||||
| 522 | V | 27.4 | Very low | 25.6 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 67% | 0.673 | 72% | 0.716 | S | S | * | * | 50.8 | 103.9 | 80.5 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | L524 | V522-L524 HydrophobicContact CG1-CB 3.97Š| |||
| 523 | P | 23.1 | Very low | 25.6 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | -114.4 | 147.3 | 89.6 | -7.8 | 27.1 | 0 | 0 | 0 | 111.9 | |||||
| 524 | L | 19.4 | Very low | 25.4 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | cis | 65.6 | 85.8 | 38.3 | -167.1 | 63.6 | 0 | 0 | 0 | 114.4 | V522 | V522-L524 HydrophobicContact CG1-CB 3.97Š| ||
| 525 | S | 21.1 | Very low | 25.3 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | 78.4 | 166.3 | 143.7 | 78.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 526 | E | 22.2 | Very low | 25.5 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | 77.2 | 106.6 | 163 | -66 | -118.9 | 96.8 | 0 | 0 | 119.9 | ||||
| 527 | V | 27.6 | Very low | 25.4 | Very low | 65 Ų | 65 | 125.6 Ų | 125.6 | 39% | 0.394 | 72% | 0.72 | S | S | . | * | 63.9 | 111.8 | 121.4 | 177.2 | 0 | 0 | 0 | 0 | 116 | Q530 | V527-Q530 HydrophobicContact CG1-CG 4.02Å; V527-Q530 HydrophobicContact CG2-CG 4.04Å | |||
| 528 | T | 28.9 | Very low | 25.5 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 77% | 0.767 | 73% | 0.725 | S | S | * | * | S | Bend | -151.3 | 121.2 | 83.5 | 20.4 | 0 | 0 | 0 | 0 | 110.7 | |||
| 529 | K | 29.9 | Very low | 26.3 | Very low | 167 Ų | 167 | 125.9 Ų | 125.9 | 73% | 0.726 | 72% | 0.72 | S | S | * | * | S | Bend | cis | -141.6 | 131.3 | 7 | -84.2 | -171.4 | 179.4 | 179 | 0 | 109.9 | ||
| 530 | Q | 30.7 | Very low | 26.7 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 60% | 0.598 | 72% | 0.722 | S | S | * | * | 69.7 | 127 | 85.6 | -95.8 | 167.4 | -2.8 | 0 | 0 | 112.1 | V527 | V527-Q530 HydrophobicContact CG1-CG 4.02Å; V527-Q530 HydrophobicContact CG2-CG 4.04Å | |||
| 531 | T | 27.6 | Very low | 27 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 64% | 0.638 | 72% | 0.72 | S | S | * | * | cis | -155.6 | 154.1 | 24.5 | -64.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 532 | E | 27 | Very low | 27.2 | Very low | 190 Ų | 190 | 123.2 Ų | 123.2 | 89% | 0.888 | 71% | 0.711 | S | S | * | * | trans | 65.1 | 142.1 | 163.5 | -80.5 | 153.1 | -152.4 | 0 | 0 | 120.4 | ||||
| 533 | G | 26.9 | Very low | 27.7 | Very low | 64 Ų | 64 | 127 Ų | 127 | 66% | 0.66 | 72% | 0.721 | S | S | * | * | cis | 163.6 | 144.5 | -13.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 534 | T | 26.1 | Very low | 27.8 | Very low | 158 Ų | 158 | 126.4 Ų | 126.4 | 97% | 0.969 | 72% | 0.721 | S | S | * | * | trans | 78.6 | 137.6 | 168.3 | -34.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 535 | G | 25.1 | Very low | 28.5 | Very low | 57 Ų | 57 | 126.5 Ų | 126.5 | 59% | 0.588 | 73% | 0.726 | S | S | * | * | cis | 162.2 | 143.5 | -13.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 536 | T | 26.4 | Very low | 28.9 | Very low | 146 Ų | 146 | 126.2 Ų | 126.2 | 90% | 0.896 | 73% | 0.73 | S | S | * | * | trans | 63.2 | 153.3 | 166.9 | 44.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 537 | S | 23.3 | Very low | 29.2 | Very low | 91 Ų | 91 | 123.6 Ų | 123.6 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | cis | -176.1 | 138.1 | -16.2 | 51.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 538 | T | 27.8 | Very low | 29.4 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | 61.9 | 164.1 | 146.9 | 53.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 539 | P | 44 | Very low | 29.4 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | cis | -148.1 | -177.7 | -43.9 | 44.5 | -26.7 | 0 | 0 | 0 | 118 | ||||
| 540 | Q | 29.5 | Very low | 29.4 | Very low | 173 Ų | 173 | 129.4 Ų | 129.4 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | trans | 75.9 | 147.3 | 159.1 | -60.9 | -168.5 | 17.5 | 0 | 0 | 120 | ||||
| 541 | K | 30.9 | Very low | 29.2 | Very low | 166 Ų | 166 | 130.7 Ų | 130.7 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | cis | -172.9 | 177.9 | -6.7 | -109.5 | -161.6 | 134.1 | -148.3 | 0 | 109.6 | ||||
| 542 | T | 27.5 | Very low | 29 | Very low | 88 Ų | 88 | 135.7 Ų | 135.7 | 54% | 0.54 | 76% | 0.757 | S | S | . | * | cis | -170.2 | 130.9 | -48.4 | 34.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 543 | Q | 36.2 | Very low | 29.1 | Very low | 190 Ų | 190 | 132 Ų | 132 | 89% | 0.888 | 74% | 0.742 | S | S | * | * | trans | 64.2 | 156.1 | 154.8 | -71.7 | 167.1 | -31.3 | 0 | 0 | 120.3 | ||||
| 544 | S | 25.4 | Very low | 29.3 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | cis | -149.3 | -179.2 | 25.1 | -160.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 545 | V | 35.5 | Very low | 29.5 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 84% | 0.842 | 73% | 0.734 | S | S | * | * | trans | -147.7 | 165.7 | -169.7 | 176.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 546 | A | 28.5 | Very low | 29.8 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | 91.5 | 154.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 547 | S | 27.5 | Very low | 30.2 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | cis | -172.6 | 144.5 | -25.8 | -171.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 548 | E | 33.3 | Very low | 30.9 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | trans | 46.3 | 149 | 151.6 | -106.9 | -179 | -135.2 | 0 | 0 | 128 | ||||
| 549 | R | 28.9 | Very low | 31.1 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | trans | 78.6 | 150.4 | 154.7 | -67.4 | 166 | -171.4 | -104.4 | -0.2 | 120.3 | ||||
| 550 | E | 29 | Very low | 31 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 65% | 0.654 | 73% | 0.734 | S | S | * | * | cis | -159.2 | -179.2 | -3 | -124.3 | 164 | -127.5 | 0 | 0 | 113 | ||||
| 551 | L | 26.6 | Very low | 31.3 | Very low | 154 Ų | 154 | 133 Ų | 133 | 81% | 0.806 | 73% | 0.728 | S | S | * | * | trans | 91.1 | 91.2 | 164.5 | -52.4 | -178.3 | 0 | 0 | 0 | 123.2 | ||||
| 552 | Y | 23.1 | Very low | 31.6 | Very low | 209 Ų | 209 | 132.4 Ų | 132.4 | 82% | 0.82 | 73% | 0.728 | S | S | * | * | 28.7 | 141.5 | 104.8 | -176.1 | -87.1 | 0 | 0 | 0 | 120.8 | |||||
| 553 | I | 29.8 | Very low | 32.3 | Very low | 113 Ų | 113 | 133 Ų | 133 | 58% | 0.579 | 73% | 0.728 | S | S | * | * | cis | -173.2 | 158 | -17.2 | -154.4 | 178.4 | 0 | 0 | 0 | 108.6 | ||||
| 554 | P | 30.9 | Very low | 32.7 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | -157.8 | 132.1 | 98.6 | 38.5 | -16.6 | 0 | 0 | 0 | 119.9 | |||||
| 555 | S | 30.4 | Very low | 33.2 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | 60.8 | 144.2 | 127.4 | -45.8 | 0 | 0 | 0 | 0 | 126.6 | |||||
| 556 | V | 31.4 | Very low | 33.4 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | 95.4 | 87.6 | 155.2 | -164.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 557 | D | 34.3 | Very low | 33.8 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | 55.7 | 150.7 | 118.8 | -52.2 | -7.7 | 0 | 0 | 0 | 122.9 | |||||
| 558 | L | 37.5 | Very low | 34.5 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | cis | -166.2 | 146.7 | -18.3 | -110.9 | 170.8 | 0 | 0 | 0 | 108.8 | ||||
| 559 | L | 33.2 | Very low | 34.8 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | trans | 169.6 | 123.8 | 140.9 | -97.9 | 160.5 | 0 | 0 | 0 | 109.9 | ||||
| 560 | T | 41.5 | Very low | 35.2 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 61% | 0.613 | 73% | 0.734 | S | S | * | * | trans | -128.3 | 157.2 | -178.2 | 46.7 | 0 | 0 | 0 | 0 | 111.3 | Q562 D563 | T560-Q562 PolarHBondContact O-N 2.8Å; T560-D563 PolarHBondContact O-N 3.49Å | ||
| 561 | A | 35.5 | Very low | 35.7 | Very low | 84 Ų | 84 | 139.6 Ų | 139.6 | 69% | 0.694 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 14.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 562 | Q | 36.7 | Very low | 36.5 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -31.3 | 170.6 | -158.9 | 74.9 | 20.1 | 0 | 0 | 111.5 | T560 L564 | T560-Q562 PolarHBondContact O-N 2.8Å; Q562-L564 VanDerWaalsContact C-N 3.31Å; Q562-L564 PolarHBondContact O-N 2.99Å |
| 563 | D | 43.4 | Very low | 37.5 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 54% | 0.54 | 73% | 0.727 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.8 | -1.1 | -173.4 | -66.7 | -43.4 | 0 | 0 | 0 | 115 | T560 S566 | T560-D563 PolarHBondContact O-N 3.49Å; D563-S566 PolarHBondContact O-OG 2.93Å |
| 564 | L | 44.3 | Very low | 38.2 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 8.7 | -179.9 | -66.8 | 178 | 0 | 0 | 0 | 114.1 | Q562 | Q562-L564 VanDerWaalsContact C-N 3.31Å; Q562-L564 PolarHBondContact O-N 2.99Å |
| 565 | L | 36.3 | Very low | 38.4 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -106.5 | 19.6 | 179.2 | -68.3 | 175.6 | 0 | 0 | 0 | 113.8 | ||
| 566 | S | 39 | Very low | 38.9 | Very low | 73 Ų | 73 | 139.8 Ų | 139.8 | 51% | 0.51 | 75% | 0.745 | S | S | . | * | S | Bend | trans | -121.5 | 7.1 | -169.3 | 51 | 0 | 0 | 0 | 0 | 115.8 | D563 | D563-S566 PolarHBondContact O-OG 2.93Š|
| 567 | F | 36.5 | Very low | 39.4 | Very low | 196 Ų | 196 | 141.7 Ų | 141.7 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -128.2 | 10.3 | -174.2 | -86 | -72.9 | 0 | 0 | 0 | 117.8 | ||
| 568 | E | 42.2 | Very low | 39.6 | Very low | 193 Ų | 193 | 143.1 Ų | 143.1 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -111.6 | 7.9 | 174.1 | -74.4 | -158.4 | 135.8 | 0 | 0 | 115.4 | ||
| 569 | L | 41.2 | Very low | 39.7 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -129.6 | 32.6 | -178.4 | -73.6 | 177.2 | 0 | 0 | 0 | 115.2 | ||
| 570 | L | 37.3 | Very low | 40.3 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | trans | -129.1 | 43.7 | 168 | -77.4 | 176.7 | 0 | 0 | 0 | 113 | I572 | L570-I572 PolarHBondContact O-N 2.91Š| ||
| 571 | D | 39.6 | Very low | 39.9 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -94 | 70 | 167.5 | -167.2 | 19.3 | 0 | 0 | 0 | 110.8 | ||||
| 572 | I | 42.8 | Very low | 40 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 65% | 0.651 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -135.6 | 112.9 | 174.7 | -54.3 | -179.4 | 0 | 0 | 0 | 109.7 | L570 I574 | L570-I572 PolarHBondContact O-N 2.91Å; I572-I574 PolarHBondContact O-N 3.41Å |
| 573 | N | 43.9 | Very low | 39.8 | Very low | 112 Ų | 112 | 151.1 Ų | 151.1 | 60% | 0.599 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 61.7 | 33.4 | 158.9 | -68.5 | -0.1 | 0 | 0 | 0 | 121.3 | ||
| 574 | I | 43.8 | Very low | 39.3 | Very low | 137 Ų | 137 | 153.6 Ų | 153.6 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -17.6 | 169.7 | -67.6 | 178.8 | 0 | 0 | 0 | 113.7 | I572 Q576 | I572-I574 PolarHBondContact O-N 3.41Å; I574-Q576 VanDerWaalsContact C-N 3.3Å; I574-Q576 PolarHBondContact O-N 2.89Å |
| 575 | V | 36.4 | Very low | 39 | Very low | 153 Ų | 153 | 152.1 Ų | 152.1 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 2.5 | 179.3 | -163.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 576 | Q | 40.9 | Very low | 39.2 | Very low | 167 Ų | 167 | 150.8 Ų | 150.8 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 0.7 | -177.3 | -160 | 164.7 | 3.9 | 0 | 0 | 114.6 | I574 | I574-Q576 VanDerWaalsContact C-N 3.3Å; I574-Q576 PolarHBondContact O-N 2.89Å |
| 577 | E | 41.8 | Very low | 38.9 | Very low | 160 Ų | 160 | 153.2 Ų | 153.2 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | -8.2 | -178.9 | -119.4 | 173.3 | -169.2 | 0 | 0 | 115 | E579 | E577-E579 PolarHBondContact O-N 2.93Š|
| 578 | L | 37 | Very low | 39 | Very low | 166 Ų | 166 | 149.8 Ų | 149.8 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 8.6 | 180 | -127.1 | 77.4 | 0 | 0 | 0 | 115.3 | ||
| 579 | E | 40.8 | Very low | 38.4 | Very low | 158 Ų | 158 | 148 Ų | 148 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -0.5 | -173.9 | -150.8 | -170.5 | -122.1 | 0 | 0 | 113.6 | E577 | E577-E579 PolarHBondContact O-N 2.93Š|
| 580 | R | 44.4 | Very low | 38.3 | Very low | 199 Ų | 199 | 146 Ų | 146 | 75% | 0.751 | 77% | 0.773 | S | S | * | * | trans | -146.8 | 107.7 | -178.7 | -73.8 | 178 | 175 | 60.4 | 8.3 | 114 | ||||
| 581 | V | 34.2 | Very low | 38.8 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | trans | 172.1 | 143 | 137.3 | 145.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 582 | P | 37.5 | Very low | 38.4 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | trans | -94.7 | 159.6 | -155 | 35.9 | -37.4 | 0 | 0 | 0 | 116.5 | N584 | P582-N584 PolarHBondContact O-N 2.84Š| ||
| 583 | H | 33 | Very low | 37.6 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -48 | 129.3 | 169.3 | -59.7 | 89.1 | 0 | 0 | 0 | 113.6 | ||||
| 584 | N | 32.3 | Very low | 37 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -155.8 | 121.9 | 156 | -90.1 | -66.8 | 0 | 0 | 0 | 110.3 | P582 | P582-N584 PolarHBondContact O-N 2.84Š| ||
| 585 | T | 37.7 | Very low | 37.2 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -105.2 | 152.6 | 175.3 | -16.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 586 | P | 40.3 | Very low | 37.1 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -131.1 | 176.5 | 132.8 | 36.6 | -26.5 | 0 | 0 | 0 | 112.7 | ||||
| 587 | V | 34.2 | Very low | 37.7 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | -130.2 | 155.7 | -155.3 | 177.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 588 | D | 37.2 | Very low | 37.1 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | trans | 80.2 | 128.1 | 155.3 | -108.8 | -31.7 | 0 | 0 | 0 | 122.2 | ||||
| 589 | M | 29.1 | Very low | 36.7 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | 175.5 | 139.9 | 104.3 | -95.9 | -70.7 | 102.4 | 0 | 0 | 113.5 | |||||
| 590 | T | 40.6 | Very low | 35.9 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -147.5 | 134.3 | 173.6 | -49.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 591 | P | 46.9 | Very low | 35.9 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -135.5 | 172.3 | 143.9 | 38.4 | -24.5 | 0 | 0 | 0 | 111.7 | ||||
| 592 | C | 30.4 | Very low | 35.7 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | cis | -156.6 | 173.7 | 32.6 | 54.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 593 | M | 26.6 | Very low | 35.4 | Very low | 173 Ų | 173 | 134.8 Ų | 134.8 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | trans | -109.5 | 172.3 | -172.1 | -61.4 | -79.5 | -74.7 | 0 | 0 | 111.7 | ||||
| 594 | S | 32.3 | Very low | 35 | Very low | 86 Ų | 86 | 132.5 Ų | 132.5 | 60% | 0.601 | 76% | 0.757 | S | S | * | * | cis | -176.1 | 178.7 | -25.4 | -78.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 595 | P | 47.8 | Very low | 34.9 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | -151 | 156.1 | 115.7 | 36.9 | -19.8 | 0 | 0 | 0 | 118.2 | |||||
| 596 | L | 34.1 | Very low | 34.6 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | trans | -140.3 | 148 | 170.5 | -64.3 | 176 | 0 | 0 | 0 | 110.4 | ||||
| 597 | P | 53.2 | Low | 34 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | -133.9 | -164.6 | 111.9 | 43.2 | -35.6 | 0 | 0 | 0 | 110.3 | |||||
| 598 | H | 29.7 | Very low | 33.8 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | cis | -152.7 | 157.4 | 9.1 | -101.7 | -58.1 | 0 | 0 | 0 | 105.9 | ||||
| 599 | D | 28.6 | Very low | 33.2 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | cis | -158.5 | -150.6 | -11.5 | -151.2 | 94.9 | 0 | 0 | 0 | 108.4 | ||||
| 600 | S | 24.8 | Very low | 33.1 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | trans | -151 | 174.5 | 177.9 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 601 | P | 44 | Very low | 32.5 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | -152.4 | 177.3 | 80 | 39 | -18.9 | 0 | 0 | 0 | 115.6 | |||||
| 602 | L | 29.8 | Very low | 31.7 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | cis | -169.1 | 177.4 | -33.2 | -102.4 | 170.2 | 0 | 0 | 0 | 107.8 | ||||
| 603 | I | 29.9 | Very low | 31.7 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | trans | 80.5 | 125 | 169.6 | -54.9 | 173.7 | 0 | 0 | 0 | 115.3 | ||||
| 604 | E | 24.7 | Very low | 31.8 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 64% | 0.64 | 76% | 0.763 | S | S | * | * | cis | -155.5 | 144.6 | -14 | -115.1 | -167.2 | 129.7 | 0 | 0 | 111.9 | ||||
| 605 | K | 30.5 | Very low | 31.6 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | trans | 52 | 119.1 | 152 | -67.2 | 166.3 | 175.9 | 145.6 | 0 | 121.5 | ||||
| 606 | P | 31.2 | Very low | 30.7 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | -108.1 | 150.5 | 131.9 | 1.1 | 19.3 | 0 | 0 | 0 | 111.8 | ||||
| 607 | G | 28.9 | Very low | 30.4 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -82.1 | 137.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 608 | L | 29.1 | Very low | 29.2 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | 51.7 | 82.9 | 75.7 | -84.2 | 172.4 | 0 | 0 | 0 | 112.9 | |||||
| 609 | G | 25.5 | Very low | 29.1 | Very low | 77 Ų | 77 | 133.3 Ų | 133.3 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -80.5 | 140.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 610 | Q | 26.9 | Very low | 29 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -159.1 | 157.2 | 171.2 | -151.9 | 172.5 | 14.3 | 0 | 0 | 108 | ||||
| 611 | I | 28.2 | Very low | 29.2 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | 72.8 | 120.6 | 174.5 | -47 | 151.9 | 0 | 0 | 0 | 114.7 | ||||
| 612 | Q | 29.1 | Very low | 28.2 | Very low | 191 Ų | 191 | 140 Ų | 140 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | -148.3 | 72.3 | 142.7 | -167.6 | 73.5 | 85.3 | 0 | 0 | 108.5 | ||||
| 613 | E | 30.2 | Very low | 28.1 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -110 | 129.1 | 164.9 | -170.2 | 165.8 | -144.9 | 0 | 0 | 107.5 | ||||
| 614 | E | 29.6 | Very low | 28.6 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | 48.3 | 122.8 | 161.1 | -62.9 | -171.2 | 160.6 | 0 | 0 | 122.6 | ||||
| 615 | S | 27.3 | Very low | 28.7 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | 94.8 | 141.7 | 126.3 | 76.5 | 0 | 0 | 0 | 0 | 123 | |||||
| 616 | E | 29.3 | Very low | 28.5 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | 56 | 120.6 | 149.3 | -67.5 | -174.6 | 179.8 | 0 | 0 | 123.4 | ||||
| 617 | G | 28.1 | Very low | 28.2 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | 113.3 | 61 | 93.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 618 | A | 28.2 | Very low | 28 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 95% | 0.95 | 79% | 0.794 | S | S | * | * | trans | 61.4 | 151.2 | 148.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 619 | G | 26.7 | Very low | 27.7 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | 166.2 | 66.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 620 | F | 27.5 | Very low | 27.6 | Very low | 192 Ų | 192 | 135 Ų | 135 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | trans | -2 | 138.1 | 159.7 | -82.8 | -78.9 | 0 | 0 | 0 | 124.4 | ||||
| 621 | K | 27.9 | Very low | 27.5 | Very low | 198 Ų | 198 | 135 Ų | 135 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | 73.2 | 157.4 | 150.6 | -66.7 | -166.2 | 179 | -171.6 | 0 | 117.9 | ||||
| 622 | A | 23.2 | Very low | 27.5 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | cis | -145.1 | 178.8 | 16.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 623 | L | 27.7 | Very low | 27.2 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -77.2 | 170.3 | 171 | -129.2 | 78.4 | 0 | 0 | 0 | 111.7 | D625 | L623-D625 WeakPolarHBondContact CD2-OD1 3.44Š| ||
| 624 | P | 41.3 | Very low | 27 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | -151.5 | 152.6 | 60.9 | 40 | -18.8 | 0 | 0 | 0 | 120.7 | |||||
| 625 | D | 25.6 | Very low | 26.8 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 37.3 | 128.4 | 133.3 | -49.8 | -31.7 | 0 | 0 | 0 | 124.9 | L623 | L623-D625 WeakPolarHBondContact CD2-OD1 3.44Š| ||
| 626 | S | 26.8 | Very low | 26.7 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | 173.9 | 125.3 | 108.2 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 627 | T | 24.4 | Very low | 26.4 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | 57.1 | 144.1 | 58.5 | 75.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 628 | I | 24.5 | Very low | 26.4 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | cis | -161.5 | 169.7 | 9.3 | -141.5 | -173.8 | 0 | 0 | 0 | 107.8 | ||||
| 629 | S | 24.8 | Very low | 26.2 | Very low | 83 Ų | 83 | 134.2 Ų | 134.2 | 58% | 0.58 | 77% | 0.768 | S | S | * | * | cis | -166.1 | 172.2 | 6.6 | -156.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 630 | T | 22.6 | Very low | 26.4 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | 4.2 | 157 | 152.3 | 69 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 631 | K | 25.5 | Very low | 26.4 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | cis | 175 | 165.9 | 46.7 | -142.6 | 168.3 | -174.3 | 164.3 | 0 | 113.8 | ||||
| 632 | R | 27.4 | Very low | 26.5 | Very low | 218 Ų | 218 | 134.1 Ų | 134.1 | 82% | 0.823 | 76% | 0.76 | S | S | * | * | trans | 76.1 | 97.7 | 154.1 | -71.6 | -174.5 | 173.9 | 147.7 | -5.1 | 122.7 | ||||
| 633 | K | 23.5 | Very low | 26.8 | Very low | 207 Ų | 207 | 135.6 Ų | 135.6 | 90% | 0.9 | 76% | 0.759 | S | S | * | * | -0.6 | 126 | 118.9 | 175.3 | -177 | -179.8 | 175.3 | 0 | 118.7 | |||||
| 634 | A | 25.1 | Very low | 26.9 | Very low | 79 Ų | 79 | 138 Ų | 138 | 65% | 0.653 | 77% | 0.766 | S | S | * | * | -178.9 | 139.5 | 118.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 635 | E | 26.1 | Very low | 26.4 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | 56.8 | 95.4 | 145.1 | -67 | 168.8 | 135.7 | 0 | 0 | 123.5 | ||||
| 636 | A | 23.8 | Very low | 26.6 | Very low | 90 Ų | 90 | 142.4 Ų | 142.4 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | 53.6 | 122.7 | 121.2 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 637 | T | 24.3 | Very low | 26.9 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | -173.9 | 161 | 103.6 | 20 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 638 | A | 26.8 | Very low | 27.3 | Very low | 87 Ų | 87 | 145.3 Ų | 145.3 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | trans | 64.5 | 98.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 639 | S | 25.6 | Very low | 27.7 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | 21.2 | 146.3 | 116.8 | 63.4 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 640 | V | 29.5 | Very low | 28.1 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | cis | -152.6 | 167.2 | 43.2 | 171.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 641 | E | 28.6 | Very low | 28.5 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | 66.3 | 124.8 | 170.9 | -82.8 | 141.1 | -138 | 0 | 0 | 116.1 | ||||
| 642 | E | 29.4 | Very low | 28.6 | Very low | 188 Ų | 188 | 146.2 Ų | 146.2 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | cis | 85.5 | 77.5 | 39.7 | -63.2 | -158.4 | 165.5 | 0 | 0 | 114.8 | ||||
| 643 | T | 28.9 | Very low | 28.7 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -128 | 129.5 | 151.2 | 53.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 644 | E | 31.5 | Very low | 29 | Very low | 191 Ų | 191 | 137.2 Ų | 137.2 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -4.6 | 119.5 | 154.5 | -58.6 | 166.7 | -125.4 | 0 | 0 | 118.2 | ||||
| 645 | E | 29.1 | Very low | 29.1 | Very low | 165 Ų | 165 | 142 Ų | 142 | 77% | 0.771 | 80% | 0.802 | S | S | * | * | trans | -144.8 | 138.8 | 153.2 | -80.1 | -160.8 | 157.1 | 0 | 0 | 111.7 | L647 | E645-L647 HydrophobicContact CB-CG 4.4Å; E645-L647 PolarHBondContact O-N 3.34Å | ||
| 646 | D | 31.4 | Very low | 29.4 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 92% | 0.92 | 80% | 0.795 | S | S | * | * | trans | -70.9 | 115 | 165.3 | -95.8 | -48.3 | 0 | 0 | 0 | 110.6 | ||||
| 647 | L | 32.8 | Very low | 29.8 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -137.8 | 86.4 | 177.8 | -74.9 | 178.6 | 0 | 0 | 0 | 114.5 | E645 | E645-L647 HydrophobicContact CB-CG 4.4Å; E645-L647 PolarHBondContact O-N 3.34Å | ||
| 648 | S | 33.1 | Very low | 30.2 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -170.1 | 131.1 | 145 | -172.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 649 | G | 31.7 | Very low | 30.3 | Very low | 71 Ų | 71 | 145.6 Ų | 145.6 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | cis | 163.4 | 106.2 | 1.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 650 | T | 32.6 | Very low | 30.5 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | -81.8 | 137.6 | -178.5 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 651 | Q | 31.2 | Very low | 30.5 | Very low | 173 Ų | 173 | 147 Ų | 147 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -178.7 | 81.9 | 155.7 | -165.5 | 96 | 56.3 | 0 | 0 | 110.5 | ||||
| 652 | F | 27.8 | Very low | 30.6 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 75% | 0.75 | 79% | 0.791 | S | S | * | * | 74.8 | 127.2 | 99.5 | -77.1 | -63.4 | 0 | 0 | 0 | 119.1 | |||||
| 653 | V | 29.7 | Very low | 30.7 | Very low | 125 Ų | 125 | 144 Ų | 144 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | trans | 93 | 151.9 | 130.7 | 161.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 654 | C | 29.2 | Very low | 30.8 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 75% | 0.75 | 79% | 0.794 | S | S | * | * | trans | 73.3 | 110.9 | -177.1 | -66.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 655 | E | 27.7 | Very low | 30.8 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | cis | 82 | 142.8 | 32.4 | -156.3 | -172.1 | 178.6 | 0 | 0 | 114.8 | ||||
| 656 | T | 33.3 | Very low | 31 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | 77.7 | 106.1 | 175.3 | -45.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 657 | V | 31.8 | Very low | 31.3 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | cis | 99.1 | 126.5 | 43.6 | 170.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 658 | I | 32.7 | Very low | 31.3 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 65% | 0.646 | 78% | 0.78 | S | S | * | * | trans | 85.6 | 107.6 | 161.2 | -80.8 | 165.2 | 0 | 0 | 0 | 121.3 | ||||
| 659 | R | 28.9 | Very low | 31.3 | Very low | 215 Ų | 215 | 136.1 Ų | 136.1 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | 38.3 | 136.7 | 132.8 | -44.8 | 167.9 | 174.7 | 151.9 | -5 | 121.3 | ||||
| 660 | S | 29.2 | Very low | 31.2 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | 162 | 124.5 | 94 | -67.8 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 661 | L | 30.1 | Very low | 32.1 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | 61.9 | 162.7 | 147.1 | -54.6 | 170.1 | 0 | 0 | 0 | 117.6 | ||||
| 662 | T | 31.1 | Very low | 32.4 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | cis | -146.7 | -177.1 | 8.4 | -24.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 663 | L | 32.1 | Very low | 32.3 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -86.8 | 153.5 | -176.7 | -62.6 | 162.6 | 0 | 0 | 0 | 114.7 | ||||
| 664 | D | 30.6 | Very low | 32.2 | Very low | 167 Ų | 167 | 139 Ų | 139 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -178.9 | 161.9 | 141.8 | -101.7 | -13.6 | 0 | 0 | 0 | 107.7 | ||||
| 665 | A | 30.4 | Very low | 32.1 | Very low | 86 Ų | 86 | 141.6 Ų | 141.6 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | cis | -169 | 152.1 | -31.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 666 | A | 33.8 | Very low | 32 | Very low | 100 Ų | 100 | 144.5 Ų | 144.5 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | -114.9 | 143.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 667 | P | 38.2 | Very low | 31.7 | Very low | 130 Ų | 130 | 144 Ų | 144 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | trans | -106.1 | 154.9 | 158.6 | 36.2 | -28.1 | 0 | 0 | 0 | 112.6 | ||||
| 668 | D | 33 | Very low | 32.1 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | trans | -100.5 | 173.9 | -178.3 | 175.4 | 38.8 | 0 | 0 | 0 | 111.9 | ||||
| 669 | H | 32.9 | Very low | 31.7 | Very low | 164 Ų | 164 | 145 Ų | 145 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | 134.6 | 130 | 144.3 | -61.7 | -26.8 | 0 | 0 | 0 | 116.1 | ||||
| 670 | N | 29.6 | Very low | 31.5 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -104.9 | -172.7 | 168.7 | -70.9 | -91 | 0 | 0 | 0 | 109.5 | ||||
| 671 | P | 51.1 | Low | 31.3 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | -121.8 | -164.7 | -65.4 | 38.6 | -23.8 | 0 | 0 | 0 | 110.4 | |||||
| 672 | P | 37.1 | Very low | 30.9 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | -144.3 | 171.8 | 120 | 37.4 | -23.5 | 0 | 0 | 0 | 115.5 | |||||
| 673 | C | 26.5 | Very low | 30.6 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -129.9 | 143 | -177.6 | 165.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 674 | R | 27.9 | Very low | 30.2 | Very low | 220 Ų | 220 | 146.2 Ų | 146.2 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | 155.8 | 159.8 | 158.2 | -89.2 | 163.7 | -173 | -157.9 | 3.9 | 109.5 | ||||
| 675 | Q | 27.3 | Very low | 29.8 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | cis | -146.8 | -162 | 4.7 | -138.7 | 158.3 | 11 | 0 | 0 | 112.9 | ||||
| 676 | R | 24.6 | Very low | 30.1 | Very low | 239 Ų | 239 | 147.8 Ų | 147.8 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -96.3 | 163.2 | -167.5 | -68.4 | 176.9 | 171.4 | 164.7 | -5.8 | 115.2 | ||||
| 677 | S | 27.9 | Very low | 29.5 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -62.9 | 174.8 | 157.6 | 67.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 678 | P | 38.5 | Very low | 28.9 | Very low | 113 Ų | 113 | 149.8 Ų | 149.8 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | -137.4 | -156.1 | 56.5 | 38.1 | -14.4 | 0 | 0 | 0 | 112.1 | |||||
| 679 | Q | 25 | Very low | 28.7 | Very low | 156 Ų | 156 | 153.1 Ų | 153.1 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | cis | -166.8 | 147.2 | 7.5 | -157.6 | 175.3 | -117.5 | 0 | 0 | 112.7 | ||||
| 680 | R | 25.2 | Very low | 28.4 | Very low | 198 Ų | 198 | 154.3 Ų | 154.3 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | trans | 62.2 | 167 | 157.9 | -86.9 | 161.6 | 165.2 | -134.2 | 7.2 | 117.3 | ||||
| 681 | E | 23.8 | Very low | 28.9 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | cis | -145.1 | 132.7 | 5.8 | -128.3 | 139.1 | -141.6 | 0 | 0 | 107.2 | ||||
| 682 | L | 23.3 | Very low | 28.4 | Very low | 135 Ų | 135 | 152.1 Ų | 152.1 | 71% | 0.707 | 77% | 0.771 | S | S | * | * | 87.7 | 105.8 | 79.5 | -160.9 | 87.4 | 0 | 0 | 0 | 116.4 | |||||
| 683 | Q | 23.8 | Very low | 27.8 | Very low | 158 Ų | 158 | 152 Ų | 152 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 79.9 | 148.8 | 142.1 | -83.8 | 177.4 | -21.3 | 0 | 0 | 125.4 | ||||
| 684 | L | 24.4 | Very low | 27.7 | Very low | 160 Ų | 160 | 152.7 Ų | 152.7 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | 92.7 | 107.8 | 147.3 | -75.9 | 155 | 0 | 0 | 0 | 122.3 | ||||
| 685 | Q | 21.9 | Very low | 27.6 | Very low | 173 Ų | 173 | 149.8 Ų | 149.8 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | trans | -70.5 | -177.1 | 140.2 | -68.9 | -178.9 | -12.5 | 0 | 0 | 110.5 | ||||
| 686 | P | 36.3 | Very low | 28 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | cis | -120.4 | -155.5 | 1.8 | 23.2 | 4.6 | 0 | 0 | 0 | 111.3 | ||||
| 687 | T | 22.6 | Very low | 28 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | cis | -164.9 | 171 | 32.8 | -50 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 688 | E | 25.1 | Very low | 27.8 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -4.7 | 150.8 | 163.8 | -59 | 163.5 | 123.8 | 0 | 0 | 119.5 | ||||
| 689 | E | 27.3 | Very low | 27 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 91% | 0.907 | 76% | 0.759 | S | S | * | * | -154.6 | -162.8 | 58.1 | -81 | -168.9 | 137.6 | 0 | 0 | 114.4 | |||||
| 690 | Q | 27.2 | Very low | 27.2 | Very low | 189 Ų | 189 | 145.3 Ų | 145.3 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | -104.7 | -176.9 | -163 | -105.1 | -165.3 | 18.2 | 0 | 0 | 114.4 | ||||
| 691 | P | 40.6 | Very low | 27.3 | Very low | 107 Ų | 107 | 143 Ų | 143 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | -91.7 | -160.7 | -155.8 | 44.7 | -42.4 | 0 | 0 | 0 | 112.1 | ||||
| 692 | P | 40.9 | Very low | 27.5 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | cis | -147.1 | -171 | 7.5 | 37.1 | -12.1 | 0 | 0 | 0 | 118.3 | ||||
| 693 | V | 23.5 | Very low | 27.8 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | trans | 88.2 | 135.9 | 136.6 | 125.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 694 | V | 25.2 | Very low | 27.9 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | trans | 80.6 | 119.3 | 154.5 | 160.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 695 | L | 24.9 | Very low | 28.2 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | -66.6 | 158.9 | 157.9 | -72.3 | 164.1 | 0 | 0 | 0 | 110.8 | ||||
| 696 | P | 36.3 | Very low | 28.4 | Very low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | cis | -153.3 | -177.3 | 38.1 | 43.1 | -22.6 | 0 | 0 | 0 | 117.7 | ||||
| 697 | G | 24.4 | Very low | 27.9 | Very low | 62 Ų | 62 | 139.4 Ų | 139.4 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | 130.4 | 120.9 | 123.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 698 | F | 23.6 | Very low | 28.1 | Very low | 194 Ų | 194 | 138.2 Ų | 138.2 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | trans | 69 | 109.8 | 135.9 | -76.7 | -94 | 0 | 0 | 0 | 123 | ||||
| 699 | C | 22.6 | Very low | 28 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | 76.6 | 157.3 | 126.5 | -78.2 | 0 | 0 | 0 | 0 | 120 | |||||
| 700 | R | 28.9 | Very low | 28.8 | Very low | 206 Ų | 206 | 132.9 Ų | 132.9 | 78% | 0.777 | 74% | 0.736 | S | S | * | * | cis | -162.9 | 144.6 | 10.4 | -134.9 | 177.9 | -171.7 | -169.8 | 2.9 | 114.3 | ||||
| 701 | K | 26.3 | Very low | 28.8 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 65% | 0.648 | 73% | 0.726 | S | S | * | * | trans | 57.3 | 166.3 | 137.6 | -84 | 176.9 | 154.1 | -75.5 | 0 | 120 | ||||
| 702 | D | 29.5 | Very low | 28.2 | Very low | 114 Ų | 114 | 135 Ų | 135 | 61% | 0.61 | 74% | 0.736 | S | S | * | * | cis | -159.3 | 165.7 | -2 | -117.4 | -20.3 | 0 | 0 | 0 | 107.7 | ||||
| 703 | S | 28.8 | Very low | 27.2 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | cis | -120 | -126.8 | -4.4 | -64.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 704 | S | 25.9 | Very low | 27.9 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | cis | -151.1 | 159.6 | -5.6 | -95.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 705 | L | 30.7 | Very low | 28.1 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | cis | 91.2 | 120.3 | 22.9 | -58.8 | 176.9 | 0 | 0 | 0 | 114.5 | ||||
| 706 | K | 25.8 | Very low | 28.3 | Very low | 165 Ų | 165 | 130.6 Ų | 130.6 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | cis | -167.4 | 129.9 | 7.8 | -147.6 | -178.7 | 175.3 | -167.9 | 0 | 117.1 | ||||
| 707 | F | 26.2 | Very low | 27.8 | Very low | 186 Ų | 186 | 132.4 Ų | 132.4 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | trans | 59.7 | 161.4 | 136.3 | -77.3 | -131.5 | 0 | 0 | 0 | 123 | ||||
| 708 | A | 26.1 | Very low | 27.9 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 63% | 0.628 | 75% | 0.746 | S | S | * | * | cis | -176.9 | 169.6 | -23.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 709 | L | 24.3 | Very low | 28.1 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | trans | 0.2 | 168.5 | 154.6 | -88.1 | 78.8 | 0 | 0 | 0 | 122.8 | E711 | L709-E711 HydrophobicContact CD2-CG 3.98Å; L709-E711 VanDerWaalsContact CD2-OE1 3.24Å; L709-E711 WeakPolarHBondContact CD2-OE1 3.37Å | ||
| 710 | P | 42.5 | Very low | 28.2 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | cis | -145.4 | -161.1 | 40 | 41.2 | -18.4 | 0 | 0 | 0 | 117.1 | ||||
| 711 | E | 28.7 | Very low | 28 | Very low | 147 Ų | 147 | 135 Ų | 135 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | cis | -167 | 162.9 | -48.6 | -85.5 | 145.2 | -147.2 | 0 | 0 | 111.7 | L709 | L709-E711 HydrophobicContact CD2-CG 3.98Å; L709-E711 VanDerWaalsContact CD2-OE1 3.24Å; L709-E711 WeakPolarHBondContact CD2-OE1 3.37Å | ||
| 712 | E | 26.8 | Very low | 27.9 | Very low | 194 Ų | 194 | 134.3 Ų | 134.3 | 91% | 0.907 | 73% | 0.731 | S | S | * | * | trans | 76.3 | 156.9 | 163.1 | -65.7 | -61.1 | 114.1 | 0 | 0 | 125.1 | ||||
| 713 | G | 20.5 | Very low | 27.6 | Very low | 67 Ų | 67 | 133.8 Ų | 133.8 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | trans | -121 | -135.5 | -174 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 714 | P | 38.8 | Very low | 27.4 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | cis | -144 | 176.4 | -12 | 45.1 | -27.2 | 0 | 0 | 0 | 118.1 | ||||
| 715 | L | 28.9 | Very low | 27.3 | Very low | 179 Ų | 179 | 138.7 Ų | 138.7 | 94% | 0.937 | 74% | 0.735 | S | S | * | * | trans | 60.2 | 148.2 | 158.5 | -67.5 | 159.2 | 0 | 0 | 0 | 120.6 | ||||
| 716 | G | 28.2 | Very low | 27.1 | Very low | 72 Ų | 72 | 136.5 Ų | 136.5 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | cis | 167.5 | -176.8 | -5.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 717 | D | 26.5 | Very low | 27.1 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | trans | 110.5 | 145.8 | 156.4 | -131.2 | -3.1 | 0 | 0 | 0 | 123.3 | ||||
| 718 | E | 27.1 | Very low | 27.1 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | trans | 44.7 | 165.2 | 165.8 | -55.7 | -148.3 | 108.2 | 0 | 0 | 124.6 | ||||
| 719 | R | 26.6 | Very low | 27.1 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | cis | -176.7 | 130.4 | -43.9 | -164.8 | -171.9 | 178 | -98.9 | -11.2 | 112.8 | ||||
| 720 | E | 25.9 | Very low | 27.4 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | trans | 60.6 | 164.5 | 155.7 | -93.6 | 159.4 | -128.7 | 0 | 0 | 121 | ||||
| 721 | E | 24.9 | Very low | 26.9 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | cis | -165 | -179.9 | -5.4 | -151.1 | -165.1 | 147.4 | 0 | 0 | 111.4 | ||||
| 722 | I | 24.1 | Very low | 26.9 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 70% | 0.697 | 76% | 0.755 | S | S | * | * | trans | 74.7 | 146.4 | 155.2 | -67.1 | 166.2 | 0 | 0 | 0 | 119.1 | ||||
| 723 | V | 22.7 | Very low | 26.9 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 62% | 0.618 | 75% | 0.748 | S | S | * | * | cis | -176.1 | 175.6 | -39.7 | 132.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 724 | H | 24 | Very low | 27.4 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | 96.7 | 126.4 | 176.5 | -58.8 | -77 | 0 | 0 | 0 | 116.2 | ||||
| 725 | I | 24.4 | Very low | 27.1 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | cis | 103.4 | 104.9 | 18.2 | -60.5 | 163.7 | 0 | 0 | 0 | 114.7 | ||||
| 726 | A | 27.1 | Very low | 27.2 | Very low | 93 Ų | 93 | 143.7 Ų | 143.7 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | 170.2 | 131.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 727 | E | 25.1 | Very low | 27.4 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | cis | 82.3 | 112.4 | 28.4 | -64 | -174.2 | 153.5 | 0 | 0 | 116 | ||||
| 728 | E | 25.7 | Very low | 27.5 | Very low | 180 Ų | 180 | 146.2 Ų | 146.2 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | trans | 64.5 | 152.3 | 152.3 | -54.4 | 179.4 | 157.6 | 0 | 0 | 117.6 | ||||
| 729 | D | 26.2 | Very low | 27.6 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | cis | -154.9 | -168.8 | 10.8 | -154.6 | -6 | 0 | 0 | 0 | 112.7 | ||||
| 730 | E | 30.3 | Very low | 27.8 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -82.4 | -169.2 | -175.9 | -59.6 | -166.2 | 106.5 | 0 | 0 | 117.5 | ||||
| 731 | L | 32.6 | Very low | 28.3 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 90.6 | 156.7 | 160.3 | -50.5 | 178.1 | 0 | 0 | 0 | 119.4 | ||||
| 732 | Q | 29.6 | Very low | 28.6 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | cis | -177.5 | 139 | -46.7 | 166.6 | 170.8 | -23.5 | 0 | 0 | 109.6 | ||||
| 733 | D | 25.4 | Very low | 29.3 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | 175.3 | 142.8 | 151.8 | -97.8 | -3 | 0 | 0 | 0 | 109.5 | ||||
| 734 | E | 32 | Very low | 29.8 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | cis | 79.2 | 126.8 | 48 | -71 | -107.6 | 114 | 0 | 0 | 113.4 | ||||
| 735 | V | 32.8 | Very low | 30.5 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 61% | 0.606 | 77% | 0.774 | S | S | * | * | cis | -154 | 160.8 | -15.7 | -150.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 736 | Q | 29.2 | Very low | 31.1 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 58.4 | 124.2 | 144.6 | -101 | 173.5 | 29.3 | 0 | 0 | 120.4 | ||||
| 737 | S | 32.8 | Very low | 31.5 | Very low | 94 Ų | 94 | 146.3 Ų | 146.3 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | 175.4 | 169.7 | 66.8 | -81.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 738 | Q | 29.1 | Very low | 32 | Very low | 192 Ų | 192 | 144.7 Ų | 144.7 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | 85.5 | 162.1 | 158.8 | -50.6 | -149.7 | -5.9 | 0 | 0 | 119.5 | ||||
| 739 | S | 28.5 | Very low | 32.6 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -148.5 | 147.8 | -155.7 | -47.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 740 | S | 31 | Very low | 33.2 | Very low | 126 Ų | 126 | 143 Ų | 143 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | trans | -168.1 | 162.3 | 159.9 | -79.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 741 | A | 36.3 | Very low | 33.7 | Very low | 99 Ų | 99 | 141 Ų | 141 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | -171.8 | 48.6 | -56 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 742 | S | 31.1 | Very low | 33.9 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -147.5 | 147.5 | -178.8 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 743 | S | 38.4 | Very low | 34.4 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | cis | 167.9 | 87.9 | -33.4 | 46.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 744 | E | 33.8 | Very low | 34.8 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -113.1 | 140.2 | -179.1 | -119.2 | 62.5 | -132.5 | 0 | 0 | 111 | ||||
| 745 | D | 38.8 | Very low | 34.8 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -81.8 | 132 | -169.2 | -80.9 | -51.1 | 0 | 0 | 0 | 114.3 | ||||
| 746 | Y | 36.6 | Very low | 35.1 | Very low | 211 Ų | 211 | 145.5 Ų | 145.5 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -95.2 | 108.3 | 170.9 | -76.1 | -79.4 | 0 | 0 | 0 | 111.8 | I748 | Y746-I748 PolarHBondContact O-N 2.79Å; Y746-I748 VanDerWaalsContact O-N 3.13Å | ||
| 747 | I | 36.2 | Very low | 35.7 | Very low | 158 Ų | 158 | 141 Ų | 141 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -76.4 | 98.1 | 167 | -57.8 | 179.2 | 0 | 0 | 0 | 109.3 | I749 | I747-I749 HydrophobicContact CG2-CG1 4.32Š| ||
| 748 | I | 35.1 | Very low | 36 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 66% | 0.662 | 80% | 0.801 | S | S | * | * | trans | -91.8 | 110.1 | 172.6 | -51.6 | 179.1 | 0 | 0 | 0 | 109.4 | Y746 L750 | Y746-I748 PolarHBondContact O-N 2.79Å; Y746-I748 VanDerWaalsContact O-N 3.13Å; I748-L750 HydrophobicContact CG2-CD2 3.96Å; I748-L750 HydrophobicContact CG2-CG 3.98Å; I748-L750 PolarHBondContact O-N 3.5Å | ||
| 749 | I | 39 | Very low | 36.7 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 80% | 0.795 | 80% | 0.798 | S | S | * | * | trans | -83.9 | 103 | 169.9 | -56.9 | 179.1 | 0 | 0 | 0 | 108.8 | I747 | I747-I749 HydrophobicContact CG2-CG1 4.32Š| ||
| 750 | L | 38.4 | Very low | 37 | Very low | 136 Ų | 136 | 148 Ų | 148 | 71% | 0.712 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 139.1 | 170 | -66.8 | 176.7 | 0 | 0 | 0 | 110.6 | I748 | I748-L750 HydrophobicContact CG2-CD2 3.96Å; I748-L750 HydrophobicContact CG2-CG 3.98Å; I748-L750 PolarHBondContact O-N 3.5Å |
| 751 | P | 40.5 | Very low | 37 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 134.1 | 170.1 | -21.3 | 33.7 | 0 | 0 | 0 | 112.5 | C753 | P751-C753 PolarHBondContact O-N 3.47Š|
| 752 | E | 37.9 | Very low | 36.9 | Very low | 193 Ų | 193 | 147.9 Ų | 147.9 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 116.3 | -179 | -58.2 | 176.8 | 133.3 | 0 | 0 | 112.1 | ||
| 753 | C | 40.1 | Very low | 37 | Very low | 120 Ų | 120 | 147.2 Ų | 147.2 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -164 | 62.6 | 169.8 | -103.6 | 0 | 0 | 0 | 0 | 113.7 | P751 | P751-C753 PolarHBondContact O-N 3.47Š| ||
| 754 | F | 32.7 | Very low | 36.6 | Very low | 211 Ų | 211 | 149.9 Ų | 149.9 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -145.7 | 127 | 162.8 | -102.1 | -76.7 | 0 | 0 | 0 | 112.9 | ||||
| 755 | D | 31.9 | Very low | 36.4 | Very low | 128 Ų | 128 | 151.2 Ų | 151.2 | 68% | 0.684 | 79% | 0.794 | S | S | * | * | trans | -85.6 | 131.6 | 178.8 | -177.1 | -32.5 | 0 | 0 | 0 | 110.6 | S757 | D755-S757 PolarHBondContact O-N 3.45Å; D755-S757 VanDerWaalsContact OD1-CB 3.25Å; D755-S757 WeakPolarHBondContact OD1-CB 3.36Å; D755-S757 PolarHBondContact OD1-N 3.46Å; D755-S757 PolarHBondContact OD1-OG 3.13Å | ||
| 756 | T | 38.9 | Very low | 36 | Very low | 146 Ų | 146 | 147.8 Ų | 147.8 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | -100.5 | 57.1 | -173.2 | 45.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 757 | S | 41.7 | Very low | 35.8 | Very low | 80 Ų | 80 | 142.9 Ų | 142.9 | 56% | 0.559 | 78% | 0.78 | S | S | * | * | trans | -124.8 | 43.9 | -173.5 | 58.7 | 0 | 0 | 0 | 0 | 117 | D755 | D755-S757 PolarHBondContact O-N 3.45Å; D755-S757 VanDerWaalsContact OD1-CB 3.25Å; D755-S757 WeakPolarHBondContact OD1-CB 3.36Å; D755-S757 PolarHBondContact OD1-N 3.46Å; D755-S757 PolarHBondContact OD1-OG 3.13Å | ||
| 758 | R | 40.3 | Very low | 35.6 | Very low | 234 Ų | 234 | 140 Ų | 140 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -153 | 145.4 | 153.8 | -93 | 117.8 | -158.6 | -79.8 | 2.6 | 112.6 | ||||
| 759 | P | 43.3 | Very low | 35.4 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -83.8 | 164.7 | 177.6 | 35 | -35.8 | 0 | 0 | 0 | 113.5 | ||||
| 760 | L | 35.6 | Very low | 34.9 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | trans | -71.4 | 159.8 | 178.6 | -67.1 | 161.7 | 0 | 0 | 0 | 113.4 | ||||
| 761 | G | 30.8 | Very low | 34.8 | Very low | 65 Ų | 65 | 141.7 Ų | 141.7 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | -162 | 105.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 762 | D | 33.6 | Very low | 35.1 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | 56.6 | 127 | 157.4 | -57.3 | -31.8 | 0 | 0 | 0 | 119.7 | ||||
| 763 | S | 32.5 | Very low | 34.6 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | 73.5 | 131.9 | 61.8 | -153.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 764 | M | 30.6 | Very low | 34.4 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | cis | -162.7 | 158.9 | 21.2 | -150.9 | -167.9 | -43.7 | 0 | 0 | 113 | ||||
| 765 | Y | 29.4 | Very low | 34.4 | Very low | 201 Ų | 201 | 133.8 Ų | 133.8 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | trans | 65.3 | 134.4 | 143.2 | -112.9 | -123.9 | 0 | 0 | 0 | 124 | ||||
| 766 | S | 32 | Very low | 34.5 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | trans | 55.1 | 161.8 | 143.9 | -69.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 767 | S | 32.3 | Very low | 34 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | cis | 159.7 | 103.6 | -32 | -87.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 768 | A | 32.1 | Very low | 33.4 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | 59.7 | 160.3 | 149.7 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 769 | L | 29.1 | Very low | 32.9 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 94.1 | 104.7 | 159.3 | -53.5 | -176.8 | 0 | 0 | 0 | 121.1 | ||||
| 770 | S | 30.1 | Very low | 32.2 | Very low | 116 Ų | 116 | 132 Ų | 132 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | 75.3 | 157 | 125.1 | -56.9 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 771 | Q | 34.5 | Very low | 32.1 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | -86 | -166.8 | -178 | -52.3 | 177.8 | -23.8 | 0 | 0 | 111.6 | ||||
| 772 | P | 47.8 | Very low | 32.7 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | cis | -145.9 | -177.4 | 2 | 44 | -24.2 | 0 | 0 | 0 | 118.7 | ||||
| 773 | G | 28.1 | Very low | 32.3 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 89.8 | 164 | 150.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 774 | L | 34.3 | Very low | 32.1 | Very low | 154 Ų | 154 | 133 Ų | 133 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | cis | -167.1 | 157.5 | -10.8 | -153.7 | 72.3 | 0 | 0 | 0 | 113.1 | ||||
| 775 | E | 33.6 | Very low | 32 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 63% | 0.626 | 78% | 0.779 | S | S | * | * | trans | 68.9 | 156.2 | 163 | -41 | -158.9 | 147.8 | 0 | 0 | 120.7 | ||||
| 776 | R | 34.3 | Very low | 32.1 | Very low | 207 Ų | 207 | 129.9 Ų | 129.9 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | cis | -157.3 | 162.7 | 2.3 | -155.1 | 168.5 | -94.8 | -108.7 | -3.3 | 109.2 | ||||
| 777 | G | 29.1 | Very low | 31.7 | Very low | 72 Ų | 72 | 129.2 Ų | 129.2 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | cis | 138.1 | 103 | -12.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 778 | A | 28.4 | Very low | 31.5 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -156.5 | 121.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 779 | E | 29.7 | Very low | 31.3 | Very low | 193 Ų | 193 | 135.4 Ų | 135.4 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | 68.8 | 129.2 | 99.7 | -65.6 | 179.8 | -173.7 | 0 | 0 | 115.8 | |||||
| 780 | S | 29.1 | Very low | 31.6 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | cis | -162.1 | 167.9 | -5 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 781 | E | 32.4 | Very low | 31.4 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -60 | 175.4 | 177.7 | -86.8 | -89.4 | 130.1 | 0 | 0 | 116.7 | ||||
| 782 | P | 43.1 | Very low | 31.1 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | cis | -145.5 | 159.6 | 19.9 | 41.5 | -21.2 | 0 | 0 | 0 | 121.9 | ||||
| 783 | G | 25.1 | Very low | 30.3 | Very low | 62 Ų | 62 | 132.3 Ų | 132.3 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | 78.2 | 148 | 118.6 | 0 | 0 | 0 | 0 | 0 | 126.6 | |||||
| 784 | I | 29 | Very low | 30.1 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | trans | 101.8 | 155.8 | 154.2 | -59.7 | -179.8 | 0 | 0 | 0 | 118.9 | ||||
| 785 | E | 29 | Very low | 29.6 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -112.8 | 170.5 | -145.7 | -47.8 | 168.3 | 106.8 | 0 | 0 | 116.6 | ||||
| 786 | A | 30.2 | Very low | 29.2 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | 70.8 | 153.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 787 | G | 25.3 | Very low | 28.8 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 145.8 | 130.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 788 | Q | 27 | Very low | 29.3 | Very low | 191 Ų | 191 | 138.8 Ų | 138.8 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -106.6 | 172.6 | 173.5 | -67.3 | 162.9 | -101.6 | 0 | 0 | 110.7 | ||||
| 789 | E | 27.5 | Very low | 29.1 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 67% | 0.673 | 79% | 0.793 | S | S | * | * | trans | 23 | 138.9 | 145.8 | -81.4 | -74.2 | 120.1 | 0 | 0 | 119.7 | T791 | E789-T791 PolarHBondContact OE2-OG1 2.83Š| ||
| 790 | P | 36.8 | Very low | 29 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | -143.9 | 160.4 | 100.4 | 39.3 | -27.1 | 0 | 0 | 0 | 116.8 | |||||
| 791 | T | 24.6 | Very low | 28.8 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | trans | -110.7 | 153.8 | 174.8 | 9.5 | 0 | 0 | 0 | 0 | 111.9 | E789 | E789-T791 PolarHBondContact OE2-OG1 2.83Š| ||
| 792 | E | 29.9 | Very low | 28.6 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | 65.7 | 127 | 150.8 | -65 | -169.8 | 159.5 | 0 | 0 | 125 | ||||
| 793 | A | 30.5 | Very low | 27.8 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | 88.6 | 156.7 | 125.8 | 0 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 794 | E | 23.9 | Very low | 28 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | 63.8 | 152.4 | 173.9 | -75.2 | -160.9 | 121.6 | 0 | 0 | 119.1 | R796 | E794-R796 IonicContact OE1-CZ 3.64Å; E794-R796 IonicContact OE1-NH1 2.81Å; E794-R796 PolarHBondContact OE1-NH1 3.4Å; E794-R796 IonicContact OE1-NH2 3.6Å | ||
| 795 | E | 23.5 | Very low | 27.9 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | cis | -140.7 | -154.2 | 8.3 | -137.3 | -143.6 | 127.3 | 0 | 0 | 115 | ||||
| 796 | R | 25.6 | Very low | 27.7 | Very low | 179 Ų | 179 | 133 Ų | 133 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | trans | -96.9 | 145.3 | -154.7 | -63.1 | 165.5 | 178.6 | 74.9 | 10.7 | 117.4 | E794 | E794-R796 IonicContact OE1-CZ 3.64Å; E794-R796 IonicContact OE1-NH1 2.81Å; E794-R796 PolarHBondContact OE1-NH1 3.4Å; E794-R796 IonicContact OE1-NH2 3.6Å | ||
| 797 | L | 25.6 | Very low | 27.6 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | 24.9 | 140.9 | 140.3 | -72.1 | 177.2 | 0 | 0 | 0 | 121.6 | ||||
| 798 | P | 39.3 | Very low | 27.7 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | -153.4 | 170.5 | 82.4 | 41.1 | -22.8 | 0 | 0 | 0 | 119.9 | |||||
| 799 | A | 25.1 | Very low | 27.9 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | 86.2 | 131.6 | 153 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 800 | G | 27.8 | Very low | 27.8 | Very low | 69 Ų | 69 | 136.1 Ų | 136.1 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 76.2 | 99.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 801 | E | 24.6 | Very low | 27.4 | Very low | 200 Ų | 200 | 136.9 Ų | 136.9 | 94% | 0.935 | 78% | 0.778 | S | S | * | * | 46.4 | 125.7 | 69.9 | -58.4 | -171.1 | 148 | 0 | 0 | 113.7 | |||||
| 802 | S | 26.6 | Very low | 27.6 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | cis | -166.5 | 173.1 | -10 | 93.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 803 | Q | 27.6 | Very low | 27.7 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | cis | -168.7 | 120.4 | -13.9 | 158.5 | -178.4 | -7 | 0 | 0 | 107.3 | ||||
| 804 | P | 28.9 | Very low | 27.5 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -100 | 127.5 | 171 | 34.1 | -27.4 | 0 | 0 | 0 | 111.8 | ||||
| 805 | Q | 26.5 | Very low | 27.9 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 71% | 0.71 | 79% | 0.786 | S | S | * | * | trans | -149.8 | 167.5 | 179.9 | -159.6 | 170.1 | 3.3 | 0 | 0 | 110.5 | ||||
| 806 | A | 26 | Very low | 28.2 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | trans | 70.7 | 119.6 | -162.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 807 | Q | 28 | Very low | 28.5 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | cis | 64 | 121.8 | 45 | -54.8 | 177.7 | -28.2 | 0 | 0 | 113.6 | ||||
| 808 | S | 26.1 | Very low | 28.7 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -156.9 | 154.7 | 139.4 | -163.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 809 | I | 30.8 | Very low | 28.2 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -125.5 | 136.6 | 177.8 | -57.4 | 166.2 | 0 | 0 | 0 | 106.6 | ||||
| 810 | S | 26.8 | Very low | 28.3 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -155.1 | 125.2 | 154.8 | 40.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 811 | D | 28.7 | Very low | 28.3 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -112.8 | 170.2 | 162.3 | -157.4 | -16.6 | 0 | 0 | 0 | 107.3 | ||||
| 812 | I | 28.8 | Very low | 28.8 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | 72 | 104 | 165 | -56.7 | 169.9 | 0 | 0 | 0 | 117.7 | ||||
| 813 | L | 31.4 | Very low | 29.6 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | 41.4 | 125.4 | 133.5 | -50.2 | 177 | 0 | 0 | 0 | 121.7 | ||||
| 814 | T | 25 | Very low | 29.8 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | -171.2 | 159.7 | 117.1 | 16.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 815 | T | 32.3 | Very low | 29.6 | Very low | 131 Ų | 131 | 135 Ų | 135 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -104.5 | 134.7 | 173.1 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 816 | S | 31.6 | Very low | 30.4 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | trans | -167.3 | 161.2 | 149.5 | -102.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 817 | Q | 30.5 | Very low | 30.7 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -74.1 | 178.5 | 175.7 | -53 | 167.8 | 8.6 | 0 | 0 | 110.6 | ||||
| 818 | T | 30.6 | Very low | 30.9 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | cis | -166.4 | -168.5 | 11.3 | -9.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 819 | L | 28.7 | Very low | 31.2 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | 84.8 | 142 | 159.9 | -60 | -175.5 | 0 | 0 | 0 | 118.1 | ||||
| 820 | D | 26.1 | Very low | 31 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | cis | -167.1 | 176.8 | -18.3 | -160.4 | 3.7 | 0 | 0 | 0 | 111.9 | ||||
| 821 | T | 28.3 | Very low | 31.1 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | trans | 102.1 | 150.9 | 155.3 | -31.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 822 | V | 35.4 | Very low | 31.4 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | -150.9 | 143.4 | -150.3 | 158.8 | 0 | 0 | 0 | 0 | 108.8 | L824 | V822-L824 HydrophobicContact CG1-CG 4.05Š| ||
| 823 | P | 42.6 | Very low | 31.9 | Very low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | -156.1 | 119.5 | 94.8 | 37.3 | -14.2 | 0 | 0 | 0 | 120.4 | |||||
| 824 | L | 32.7 | Very low | 32.2 | Very low | 144 Ų | 144 | 128 Ų | 128 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | 57.3 | 117.1 | 118.6 | -61.2 | 175 | 0 | 0 | 0 | 124.8 | V822 | V822-L824 HydrophobicContact CG1-CG 4.05Š| |||
| 825 | V | 25.2 | Very low | 32.4 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | 69.7 | 143.8 | 120.9 | 168.6 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 826 | P | 43.5 | Very low | 32 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -119.8 | -160.1 | 19.6 | 9.2 | 18.3 | 0 | 0 | 0 | 114.2 | ||||
| 827 | E | 31.9 | Very low | 31.7 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | cis | 178.3 | 167 | -41 | -89.5 | -175.9 | 86.1 | 0 | 0 | 105.6 | ||||
| 828 | V | 31.4 | Very low | 31.6 | Very low | 107 Ų | 107 | 130 Ų | 130 | 65% | 0.648 | 76% | 0.76 | S | S | * | * | cis | -154 | 131.8 | -11 | 125.7 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 829 | V | 33.3 | Very low | 31.3 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | 90.9 | 124.1 | 52.9 | 172.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 830 | G | 26.1 | Very low | 32.1 | Very low | 76 Ų | 76 | 127.9 Ų | 127.9 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | trans | -160 | 133.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 831 | L | 28.1 | Very low | 32.1 | Very low | 150 Ų | 150 | 127 Ų | 127 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -119 | 155.5 | -161.3 | -73.8 | 157.1 | 0 | 0 | 0 | 114.1 | ||||
| 832 | P | 35.4 | Very low | 32.1 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -97.2 | 131.3 | 149.5 | 34.1 | -26.8 | 0 | 0 | 0 | 111.8 | ||||
| 833 | P | 39.5 | Very low | 31.7 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -94 | 172.3 | -177.7 | 36.5 | -35.7 | 0 | 0 | 0 | 115.1 | ||||
| 834 | P | 37.5 | Very low | 31 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -110.5 | -166 | -162.8 | 43.5 | -36.9 | 0 | 0 | 0 | 116 | ||||
| 835 | L | 29.8 | Very low | 30.6 | Very low | 164 Ų | 164 | 128 Ų | 128 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | -82.2 | 150.3 | 177.9 | -65.6 | 164.1 | 0 | 0 | 0 | 114.2 | ||||
| 836 | S | 24.5 | Very low | 30.9 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | 145.6 | 161.2 | 118.1 | 68.3 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 837 | R | 25.6 | Very low | 31.1 | Very low | 243 Ų | 243 | 129.2 Ų | 129.2 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | 72.6 | 173.1 | 166.8 | -62.3 | -167.7 | 179.7 | -145 | -0.8 | 118.6 | ||||
| 838 | S | 27.3 | Very low | 31 | Very low | 103 Ų | 103 | 124.6 Ų | 124.6 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | -161.4 | 144.9 | -131.2 | 55.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 839 | S | 24.6 | Very low | 30.9 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 64.9 | 169.1 | 156.1 | 85.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 840 | P | 46.2 | Very low | 30.5 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | cis | -133.2 | -174.2 | -7.1 | 41.4 | -24.1 | 0 | 0 | 0 | 116.4 | ||||
| 841 | S | 25.5 | Very low | 30.5 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 76.3 | 151.3 | 159.1 | -58.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 842 | A | 28.2 | Very low | 31.2 | Very low | 88 Ų | 88 | 126.9 Ų | 126.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -171 | 165.3 | -24.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 843 | Q | 27 | Very low | 30.6 | Very low | 174 Ų | 174 | 127 Ų | 127 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 96.2 | 134.4 | 158.3 | -55.7 | -161.2 | 21 | 0 | 0 | 123.7 | ||||
| 844 | H | 27.1 | Very low | 29.9 | Very low | 183 Ų | 183 | 126.7 Ų | 126.7 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | 3.4 | 155.1 | 155.3 | -53.1 | -84.1 | 0 | 0 | 0 | 123.4 | ||||
| 845 | G | 25 | Very low | 29.3 | Very low | 67 Ų | 67 | 125.8 Ų | 125.8 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | cis | 152.9 | 131.9 | -9.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 846 | S | 30.6 | Very low | 29 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | 69.4 | 173.5 | 156.8 | -51 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 847 | P | 48.1 | Very low | 28.9 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | cis | -138.2 | 164 | -2.3 | 41.6 | -24.2 | 0 | 0 | 0 | 119 | ||||
| 848 | G | 29.2 | Very low | 28.9 | Very low | 69 Ų | 69 | 122 Ų | 122 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | 74.1 | 161.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 849 | V | 30.2 | Very low | 29.6 | Very low | 141 Ų | 141 | 122.1 Ų | 122.1 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | cis | -170.8 | 169.3 | -4.7 | -98.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 850 | D | 25.5 | Very low | 29.5 | Very low | 142 Ų | 142 | 122.2 Ų | 122.2 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | cis | -150.3 | -132.3 | 8.5 | -153 | -96.7 | 0 | 0 | 0 | 113.3 | ||||
| 851 | S | 25.4 | Very low | 28.7 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -151.1 | -162 | 174.7 | -75.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 852 | P | 42.8 | Very low | 29.3 | Very low | 119 Ų | 119 | 123 Ų | 123 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | cis | -144.2 | -158.5 | 4.7 | 37 | -11 | 0 | 0 | 0 | 117 | ||||
| 853 | V | 23.9 | Very low | 29.4 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 114.1 | 87.5 | 153.6 | -168.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 854 | T | 24.9 | Very low | 29.7 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | 55.5 | 123.2 | 116.8 | -22 | 0 | 0 | 0 | 0 | 126.2 | |||||
| 855 | T | 24 | Very low | 29.8 | Very low | 111 Ų | 111 | 122 Ų | 122 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | trans | 78 | 122.6 | 140.5 | 39.7 | 0 | 0 | 0 | 0 | 128.1 | ||||
| 856 | Q | 23 | Very low | 30 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | 60.9 | 137.2 | 127.5 | -87.2 | 172 | -74.6 | 0 | 0 | 126.7 | |||||
| 857 | E | 22.5 | Very low | 29.8 | Very low | 151 Ų | 151 | 127.9 Ų | 127.9 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 66.1 | 103.6 | 140.1 | -74.3 | 164.8 | -156.1 | 0 | 0 | 123.9 | ||||
| 858 | V | 26.8 | Very low | 29 | Very low | 135 Ų | 135 | 129 Ų | 129 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | 31 | 139.3 | 99.7 | -178.9 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 859 | P | 42 | Very low | 29.8 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | cis | -135.7 | -168.2 | 8.5 | 29.2 | -4 | 0 | 0 | 0 | 116.5 | ||||
| 860 | S | 21.1 | Very low | 30.1 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | 112.2 | 146.7 | 139.1 | -63.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 861 | V | 31 | Very low | 30.1 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | trans | -108.9 | 144.4 | -176.4 | 166.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 862 | P | 37.9 | Very low | 30.4 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | -153 | 148.3 | 119.1 | 38.1 | -20.5 | 0 | 0 | 0 | 117.5 | |||||
| 863 | D | 30 | Very low | 29.8 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | trans | 53 | 155.6 | 137.2 | -73.8 | 5 | 0 | 0 | 0 | 123.2 | ||||
| 864 | Q | 33.4 | Very low | 29.9 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | cis | -151.5 | -164.6 | -6.1 | -122.6 | 177.5 | 78.6 | 0 | 0 | 107.5 | ||||
| 865 | I | 29.7 | Very low | 30.1 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | cis | -155 | 162 | 17.7 | -9.6 | 172.1 | 0 | 0 | 0 | 112.2 | ||||
| 866 | R | 28.6 | Very low | 30.2 | Very low | 238 Ų | 238 | 130 Ų | 130 | 90% | 0.898 | 75% | 0.75 | S | S | * | * | trans | 76.2 | 108.6 | 137.4 | -172.9 | 157.3 | -73.1 | -132.3 | -5.8 | 122.1 | ||||
| 867 | G | 25.8 | Very low | 30.4 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -178.4 | 110.1 | 153.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 868 | E | 30.5 | Very low | 30.6 | Very low | 150 Ų | 150 | 128 Ų | 128 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | -148.2 | 171.6 | -172.9 | -126.2 | -138.4 | 142.4 | 0 | 0 | 109 | R870 | E868-R870 IonicContact OE1-CZ 3.03Å; E868-R870 IonicContact OE1-NH1 2.64Å; E868-R870 PolarHBondContact OE1-NH1 3.48Å; E868-R870 IonicContact OE1-NH2 2.69Å; E868-R870 PolarHBondContact OE1-NH2 2.89Å; E868-R870 IonicContact OE2-CZ 2.75Å; E868-R870 IonicContact OE2-NH1 3.72Å; E868-R870 PolarHBondContact OE2-NH1 3.18Å; E868-R870 IonicContact OE2-NH2 3.59Å; E868-R870 PolarHBondContact OE2-NH2 2.92Å | ||
| 869 | P | 47.1 | Very low | 30.6 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 61% | 0.61 | 76% | 0.757 | S | S | * | * | cis | -134 | -148.7 | -1.2 | 47.1 | -29.4 | 0 | 0 | 0 | 111.5 | ||||
| 870 | R | 35.5 | Very low | 29.9 | Very low | 187 Ų | 187 | 133.5 Ų | 133.5 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | cis | -159.6 | 160.5 | -15.2 | -148.1 | 157.6 | -68 | -61.4 | -2.1 | 106.1 | E868 | E868-R870 IonicContact OE1-CZ 3.03Å; E868-R870 IonicContact OE1-NH1 2.64Å; E868-R870 PolarHBondContact OE1-NH1 3.48Å; E868-R870 IonicContact OE1-NH2 2.69Å; E868-R870 PolarHBondContact OE1-NH2 2.89Å; E868-R870 IonicContact OE2-CZ 2.75Å; E868-R870 IonicContact OE2-NH1 3.72Å; E868-R870 PolarHBondContact OE2-NH1 3.18Å; E868-R870 IonicContact OE2-NH2 3.59Å; E868-R870 PolarHBondContact OE2-NH2 2.92Å | ||
| 871 | G | 25.4 | Very low | 30.3 | Very low | 62 Ų | 62 | 137.4 Ų | 137.4 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | cis | 160.6 | 177.1 | -12.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 872 | S | 33.1 | Very low | 30 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | 68.9 | 149.3 | 172.1 | -64.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 873 | S | 30.1 | Very low | 29.5 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | cis | -178.3 | 150.6 | -18.6 | 53 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 874 | G | 25.9 | Very low | 29.3 | Very low | 73 Ų | 73 | 141.4 Ų | 141.4 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | 147 | 94.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 875 | L | 28.6 | Very low | 29.3 | Very low | 164 Ų | 164 | 142 Ų | 142 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | 31 | 135.9 | 136.3 | -89.1 | 69.5 | 0 | 0 | 0 | 125.2 | ||||
| 876 | V | 27.3 | Very low | 29.2 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | 91 | 141 | 128.5 | 166.3 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 877 | N | 26 | Very low | 29.3 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -48.3 | 151 | 173.3 | -44.4 | -42.4 | 0 | 0 | 0 | 115.6 | ||||
| 878 | S | 26.5 | Very low | 29.8 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | -175.8 | 127.2 | 108.1 | -166.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 879 | R | 27.3 | Very low | 29.7 | Very low | 215 Ų | 215 | 146 Ų | 146 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | 16.9 | 132.1 | 135.5 | -112.6 | -179 | -173 | -167.1 | 5.6 | 120.7 | ||||
| 880 | Q | 27.2 | Very low | 29.3 | Very low | 143 Ų | 143 | 149.3 Ų | 149.3 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | 109.2 | 116.2 | 116.5 | -161.3 | 163.5 | -53.3 | 0 | 0 | 120.7 | |||||
| 881 | K | 30.1 | Very low | 29.2 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | 34.9 | 127.5 | 147.2 | -63.5 | -179.9 | 176.1 | -173.2 | 0 | 121 | ||||
| 882 | S | 23.9 | Very low | 30.3 | Very low | 116 Ų | 116 | 146.8 Ų | 146.8 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | -154 | 139.2 | 126.2 | 49.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 883 | Y | 27.9 | Very low | 30.6 | Very low | 213 Ų | 213 | 145.2 Ų | 145.2 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -80.3 | 157.8 | 144.6 | -88.7 | -118.8 | 0 | 0 | 0 | 105.3 | ||||
| 884 | D | 26.6 | Very low | 31.6 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | -169.9 | 175.9 | 55.5 | -130.7 | -41.9 | 0 | 0 | 0 | 113.9 | |||||
| 885 | Q | 33.3 | Very low | 32.8 | Very low | 165 Ų | 165 | 146 Ų | 146 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | trans | -8.1 | 135.7 | 164.3 | -134 | 73.2 | -23.2 | 0 | 0 | 120.9 | ||||
| 886 | S | 27.5 | Very low | 33.6 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | -141.8 | 163.1 | 140.3 | 85.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 887 | R | 29.8 | Very low | 34.7 | Very low | 228 Ų | 228 | 136.7 Ų | 136.7 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | -96.6 | 161.3 | -164.2 | -71.6 | -176.6 | 175.7 | -171.6 | -2.1 | 114.2 | ||||
| 888 | H | 35.7 | Very low | 35.8 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | trans | -0.6 | 136.3 | 163.2 | -62.2 | -84.8 | 0 | 0 | 0 | 119.1 | ||||
| 889 | N | 28.1 | Very low | 37.1 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | trans | -139.7 | 132.7 | 130.8 | -121.8 | -19 | 0 | 0 | 0 | 109.9 | ||||
| 890 | N | 40 | Very low | 38.5 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 88% | 0.877 | 73% | 0.726 | S | S | * | * | trans | -76 | 132.1 | 168.7 | -97.4 | -0.1 | 0 | 0 | 0 | 108.6 | ||||
| 891 | G | 33.6 | Very low | 40.3 | Very low | 70 Ų | 70 | 127.5 Ų | 127.5 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | trans | -160.8 | 86.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S893 | G891-S893 PolarHBondContact O-N 3.26Š| ||
| 892 | S | 48.6 | Very low | 41.5 | Very low | 127 Ų | 127 | 121.1 Ų | 121.1 | 89% | 0.888 | 70% | 0.697 | S | S | * | * | trans | -71.8 | 66.4 | 180 | 40 | 0 | 0 | 0 | 0 | 112.2 | I894 | S892-I894 PolarHBondContact O-N 2.9Š| ||
| 893 | S | 39.2 | Very low | 43.3 | Very low | 87 Ų | 87 | 121 Ų | 121 | 61% | 0.608 | 69% | 0.687 | S | S | * | * | trans | -77.4 | 112.7 | 172.8 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | G891 A895 G896 | G891-S893 PolarHBondContact O-N 3.26Å; S893-A895 PolarHBondContact O-N 2.88Å; S893-A895 VanDerWaalsContact O-N 3.09Å; S893-G896 PolarHBondContact O-N 3.33Å | ||
| 894 | I | 51.6 | Low | 45.1 | Very low | 148 Ų | 148 | 114.4 Ų | 114.4 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -28.7 | -177.1 | -63.5 | 167.8 | 0 | 0 | 0 | 112.1 | S892 G896 G897 | S892-I894 PolarHBondContact O-N 2.9Å; I894-G896 PolarHBondContact O-N 3.17Å; I894-G897 PolarHBondContact O-N 2.95Å |
| 895 | A | 49.5 | Very low | 47.2 | Very low | 57 Ų | 57 | 113 Ų | 113 | 47% | 0.471 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -58.3 | -29 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | S893 G897 V899 | S893-A895 PolarHBondContact O-N 2.88Å; S893-A895 VanDerWaalsContact O-N 3.09Å; A895-G897 PolarHBondContact O-N 3.09Å; A895-V899 WeakPolarHBondContact O-CG2 3.21Å; A895-V899 PolarHBondContact O-N 2.93Å |
| 896 | G | 45.6 | Very low | 48.5 | Very low | 41 Ų | 41 | 107.8 Ų | 107.8 | 42% | 0.423 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -69 | -30.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S893 I894 K900 | S893-G896 PolarHBondContact O-N 3.33Å; I894-G896 PolarHBondContact O-N 3.17Å; G896-K900 PolarHBondContact O-N 2.88Å |
| 897 | G | 51.2 | Low | 50.1 | Low | 51 Ų | 51 | 105 Ų | 105 | 53% | 0.526 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -71.3 | -49.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I894 A895 V899 K900 G901 | I894-G897 PolarHBondContact O-N 2.95Å; A895-G897 PolarHBondContact O-N 3.09Å; G897-V899 PolarHBondContact O-N 2.97Å; G897-K900 PolarHBondContact O-N 3.12Å; G897-G901 PolarHBondContact O-N 2.69Å |
| 898 | L | 49.5 | Very low | 51.6 | Low | 131 Ų | 131 | 97.5 Ų | 97.5 | 69% | 0.686 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -56.5 | -44.5 | 178.6 | -84.5 | 157.3 | 0 | 0 | 0 | 112.7 | G901 A902 | L898-G901 PolarHBondContact O-N 3.27Å; L898-A902 WeakPolarHBondContact O-CB 3.2Å; L898-A902 PolarHBondContact O-N 3.07Å |
| 899 | V | 53 | Low | 52.7 | Low | 89 Ų | 89 | 91.4 Ų | 91.4 | 54% | 0.539 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.6 | -38.4 | 179.4 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | A895 G897 L903 | A895-V899 WeakPolarHBondContact O-CG2 3.21Å; A895-V899 PolarHBondContact O-N 2.93Å; G897-V899 PolarHBondContact O-N 2.97Å; V899-L903 HydrophobicContact CG1-CD1 3.94Å; V899-L903 WeakPolarHBondContact O-CB 3.42Å; V899-L903 VanDerWaalsContact O-CG 3.32Å; V899-L903 WeakPolarHBondContact O-CG 3.38Å; V899-L903 PolarHBondContact O-N 3.4Å |
| 900 | K | 57.3 | Low | 54.4 | Low | 167 Ų | 167 | 90.9 Ų | 90.9 | 73% | 0.726 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.8 | -40.3 | 174.1 | -79.2 | -174.3 | 174.3 | -177.1 | 0 | 112.5 | G896 G897 L903 S904 | G896-K900 PolarHBondContact O-N 2.88Å; G897-K900 PolarHBondContact O-N 3.12Å; K900-L903 PolarHBondContact O-N 2.93Å; K900-S904 WeakPolarHBondContact O-CB 3.47Å; K900-S904 PolarHBondContact O-N 3.21Å |
| 901 | G | 64.1 | Low | 55.4 | Low | 37 Ų | 37 | 90.5 Ų | 90.5 | 38% | 0.381 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.5 | -51.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G897 L898 L903 S904 V905 | G897-G901 PolarHBondContact O-N 2.69Å; L898-G901 PolarHBondContact O-N 3.27Å; G901-L903 PolarHBondContact O-N 2.88Å; G901-S904 PolarHBondContact O-N 3.5Å; G901-S904 VanDerWaalsContact O-N 3.17Å; G901-V905 WeakPolarHBondContact O-CG2 3.45Å; G901-V905 PolarHBondContact O-N 3.32Å |
| 902 | A | 55.4 | Low | 56.5 | Low | 62 Ų | 62 | 91 Ų | 91 | 51% | 0.512 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.4 | -42.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L898 A906 | L898-A902 WeakPolarHBondContact O-CB 3.2Å; L898-A902 PolarHBondContact O-N 3.07Å; A902-A906 WeakPolarHBondContact O-CB 3.47Å; A902-A906 PolarHBondContact O-N 2.91Å |
| 903 | L | 61 | Low | 56.7 | Low | 115 Ų | 115 | 91.4 Ų | 91.4 | 60% | 0.602 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.4 | -36.3 | 175.7 | -76 | 168.3 | 0 | 0 | 0 | 112.8 | V899 K900 G901 A907 | V899-L903 HydrophobicContact CG1-CD1 3.94Å; V899-L903 WeakPolarHBondContact O-CB 3.42Å; V899-L903 VanDerWaalsContact O-CG 3.32Å; V899-L903 WeakPolarHBondContact O-CG 3.38Å; V899-L903 PolarHBondContact O-N 3.4Å; K900-L903 PolarHBondContact O-N 2.93Å; G901-L903 PolarHBondContact O-N 2.88Å; L903-A907 VanDerWaalsContact O-CB 3.25Å; L903-A907 WeakPolarHBondContact O-CB 3.13Å; L903-A907 PolarHBondContact O-N 2.88Å |
| 904 | S | 67 | Low | 57.1 | Low | 74 Ų | 74 | 94 Ų | 94 | 52% | 0.517 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.4 | -46.1 | 175.7 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | K900 G901 A907 S908 | K900-S904 WeakPolarHBondContact O-CB 3.47Å; K900-S904 PolarHBondContact O-N 3.21Å; G901-S904 PolarHBondContact O-N 3.5Å; G901-S904 VanDerWaalsContact O-N 3.17Å; S904-A907 PolarHBondContact O-N 3.36Å; S904-S908 WeakPolarHBondContact O-CB 3.38Å; S904-S908 PolarHBondContact O-N 3Å; S904-S908 PolarHBondContact O-OG 3.23Å |
| 905 | V | 69.8 | Low | 56.7 | Low | 103 Ų | 103 | 90.7 Ų | 90.7 | 62% | 0.624 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.5 | -43.7 | 175.3 | 174 | 0 | 0 | 0 | 0 | 111.3 | G901 S908 A909 | G901-V905 WeakPolarHBondContact O-CG2 3.45Å; G901-V905 PolarHBondContact O-N 3.32Å; V905-S908 PolarHBondContact O-N 3.08Å; V905-A909 WeakPolarHBondContact O-CB 3.35Å; V905-A909 PolarHBondContact O-N 3.11Å |
| 906 | A | 61 | Low | 56.4 | Low | 56 Ų | 56 | 90.7 Ų | 90.7 | 46% | 0.463 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.2 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A902 S908 A909 Y910 | A902-A906 WeakPolarHBondContact O-CB 3.47Å; A902-A906 PolarHBondContact O-N 2.91Å; A906-S908 VanDerWaalsContact C-N 3.3Å; A906-S908 PolarHBondContact O-N 3.11Å; A906-A909 PolarHBondContact O-N 3.39Å; A906-Y910 WeakPolarHBondContact O-CB 3.45Å; A906-Y910 PolarHBondContact O-N 3.45Å |
| 907 | A | 61.3 | Low | 56.1 | Low | 61 Ų | 61 | 94.6 Ų | 94.6 | 50% | 0.504 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.8 | -37.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L903 S904 K911 | L903-A907 VanDerWaalsContact O-CB 3.25Å; L903-A907 WeakPolarHBondContact O-CB 3.13Å; L903-A907 PolarHBondContact O-N 2.88Å; S904-A907 PolarHBondContact O-N 3.36Å; A907-K911 WeakPolarHBondContact O-CB 3.32Å; A907-K911 PolarHBondContact O-N 3.21Å |
| 908 | S | 61.7 | Low | 55.4 | Low | 71 Ų | 71 | 97.9 Ų | 97.9 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.7 | -42.3 | 178.6 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | S904 V905 A906 K911 A912 | S904-S908 WeakPolarHBondContact O-CB 3.38Å; S904-S908 PolarHBondContact O-N 3Å; S904-S908 PolarHBondContact O-OG 3.23Å; V905-S908 PolarHBondContact O-N 3.08Å; A906-S908 VanDerWaalsContact C-N 3.3Å; A906-S908 PolarHBondContact O-N 3.11Å; S908-K911 PolarHBondContact O-N 2.98Å; S908-A912 WeakPolarHBondContact O-CB 3.36Å; S908-A912 PolarHBondContact O-N 2.92Å |
| 909 | A | 58.2 | Low | 54.8 | Low | 43 Ų | 43 | 98.4 Ų | 98.4 | 36% | 0.355 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.6 | -41.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V905 A906 K911 A912 L913 | V905-A909 WeakPolarHBondContact O-CB 3.35Å; V905-A909 PolarHBondContact O-N 3.11Å; A906-A909 PolarHBondContact O-N 3.39Å; A909-K911 VanDerWaalsContact C-N 3.34Å; A909-K911 PolarHBondContact O-N 3.47Å; A909-A912 PolarHBondContact O-N 3.2Å; A909-L913 WeakPolarHBondContact O-CB 3.45Å; A909-L913 VanDerWaalsContact O-CG 3.31Å; A909-L913 WeakPolarHBondContact O-CG 3.25Å; A909-L913 PolarHBondContact O-N 2.95Å |
| 910 | Y | 63.8 | Low | 54 | Low | 155 Ų | 155 | 100 Ų | 100 | 61% | 0.608 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.4 | -42.1 | 174.4 | -165.9 | -86.1 | 0 | 0 | 0 | 111.2 | A906 A912 L913 F914 | A906-Y910 WeakPolarHBondContact O-CB 3.45Å; A906-Y910 PolarHBondContact O-N 3.45Å; Y910-A912 VanDerWaalsContact C-N 3.32Å; Y910-A912 PolarHBondContact O-N 2.77Å; Y910-L913 PolarHBondContact O-N 2.87Å; Y910-F914 HydrophobicContact CD1-CB 4.46Å; Y910-F914 HydrophobicContact CD1-CD2 4.04Å; Y910-F914 AromaticContact CD2-CD2 3.57Å; Y910-F914 HydrophobicContact CD2-CD2 3.57Å; Y910-F914 AromaticContact CD2-CE2 3.71Å; Y910-F914 HydrophobicContact CD2-CE2 3.71Å; Y910-F914 HydrophobicContact CE1-CB 4.19Å; Y910-F914 HydrophobicContact CE1-CD2 4.01Å; Y910-F914 HydrophobicContact CE1-CG 4.33Å; Y910-F914 AromaticContact CE2-CD2 3.55Å; Y910-F914 HydrophobicContact CE2-CD2 3.55Å; Y910-F914 AromaticContact CE2-CE2 3.63Å; Y910-F914 HydrophobicContact CE2-CE2 3.63Å; Y910-F914 HydrophobicContact CE2-CG 4.38Å; Y910-F914 AromaticContact CG-CD2 3.82Å; Y910-F914 HydrophobicContact CG-CD2 3.82Å; Y910-F914 HydrophobicContact CG-CE2 4.39Å; Y910-F914 AromaticContact CZ-CD2 3.77Å; Y910-F914 WeakPolarHBondContact O-CB 3.04Å; Y910-F914 WeakPolarHBondContact O-CD2 3.21Å; Y910-F914 PolarHBondContact O-N 3.17Å |
| 911 | K | 61.1 | Low | 53.1 | Low | 156 Ų | 156 | 96.5 Ų | 96.5 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.2 | -35.2 | 174.3 | -163 | 177.1 | -176.3 | -176 | 0 | 112.3 | A907 S908 A909 S915 | A907-K911 WeakPolarHBondContact O-CB 3.32Å; A907-K911 PolarHBondContact O-N 3.21Å; S908-K911 PolarHBondContact O-N 2.98Å; A909-K911 VanDerWaalsContact C-N 3.34Å; A909-K911 PolarHBondContact O-N 3.47Å; K911-S915 VanDerWaalsContact O-CB 3.23Å; K911-S915 WeakPolarHBondContact O-CB 3.32Å; K911-S915 PolarHBondContact O-N 2.9Å; K911-S915 PolarHBondContact O-OG 2.87Å |
| 912 | A | 57.2 | Low | 51.9 | Low | 81 Ų | 81 | 101.5 Ų | 101.5 | 67% | 0.669 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -74.2 | -32.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S908 A909 Y910 | S908-A912 WeakPolarHBondContact O-CB 3.36Å; S908-A912 PolarHBondContact O-N 2.92Å; A909-A912 PolarHBondContact O-N 3.2Å; Y910-A912 VanDerWaalsContact C-N 3.32Å; Y910-A912 PolarHBondContact O-N 2.77Å |
| 913 | L | 52 | Low | 51.2 | Low | 134 Ų | 134 | 101.7 Ų | 101.7 | 70% | 0.702 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -91.7 | -23.7 | -175.7 | -68.8 | 169.8 | 0 | 0 | 0 | 114.3 | A909 Y910 | A909-L913 WeakPolarHBondContact O-CB 3.45Å; A909-L913 VanDerWaalsContact O-CG 3.31Å; A909-L913 WeakPolarHBondContact O-CG 3.25Å; A909-L913 PolarHBondContact O-N 2.95Å; Y910-L913 PolarHBondContact O-N 2.87Å |
| 914 | F | 46.8 | Very low | 50.5 | Low | 142 Ų | 142 | 104.4 Ų | 104.4 | 62% | 0.623 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -119.6 | 2.6 | -176.3 | -62 | -76.3 | 0 | 0 | 0 | 114.7 | Y910 G916 | Y910-F914 HydrophobicContact CD1-CB 4.46Å; Y910-F914 HydrophobicContact CD1-CD2 4.04Å; Y910-F914 AromaticContact CD2-CD2 3.57Å; Y910-F914 HydrophobicContact CD2-CD2 3.57Å; Y910-F914 AromaticContact CD2-CE2 3.71Å; Y910-F914 HydrophobicContact CD2-CE2 3.71Å; Y910-F914 HydrophobicContact CE1-CB 4.19Å; Y910-F914 HydrophobicContact CE1-CD2 4.01Å; Y910-F914 HydrophobicContact CE1-CG 4.33Å; Y910-F914 AromaticContact CE2-CD2 3.55Å; Y910-F914 HydrophobicContact CE2-CD2 3.55Å; Y910-F914 AromaticContact CE2-CE2 3.63Å; Y910-F914 HydrophobicContact CE2-CE2 3.63Å; Y910-F914 HydrophobicContact CE2-CG 4.38Å; Y910-F914 AromaticContact CG-CD2 3.82Å; Y910-F914 HydrophobicContact CG-CD2 3.82Å; Y910-F914 HydrophobicContact CG-CE2 4.39Å; Y910-F914 AromaticContact CZ-CD2 3.77Å; Y910-F914 WeakPolarHBondContact O-CB 3.04Å; Y910-F914 WeakPolarHBondContact O-CD2 3.21Å; Y910-F914 PolarHBondContact O-N 3.17Å; F914-G916 PolarHBondContact O-N 3.46Å |
| 915 | S | 44.8 | Very low | 50.1 | Low | 78 Ų | 78 | 102.3 Ų | 102.3 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | trans | -73 | 113.5 | 160.7 | -61.7 | 0 | 0 | 0 | 0 | 108.9 | K911 | K911-S915 VanDerWaalsContact O-CB 3.23Å; K911-S915 WeakPolarHBondContact O-CB 3.32Å; K911-S915 PolarHBondContact O-N 2.9Å; K911-S915 PolarHBondContact O-OG 2.87Å | ||
| 916 | G | 43.2 | Very low | 50.3 | Low | 57 Ų | 57 | 100.2 Ų | 100.2 | 59% | 0.588 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -60 | 163 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F914 | F914-G916 PolarHBondContact O-N 3.46Š|
| 917 | P | 39.3 | Very low | 51 | Low | 124 Ų | 124 | 105.8 Ų | 105.8 | 81% | 0.805 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 134.9 | 178.7 | 24.4 | -34.2 | 0 | 0 | 0 | 110.1 | V919 | P917-V919 PolarHBondContact O-N 2.83Š|
| 918 | P | 36.8 | Very low | 51.7 | Low | 120 Ų | 120 | 109.2 Ų | 109.2 | 78% | 0.779 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 123.7 | -175.5 | 25.2 | -33.6 | 0 | 0 | 0 | 109.8 | T920 | P918-T920 PolarHBondContact O-N 3.46Å; P918-T920 VanDerWaalsContact O-N 3.12Å |
| 919 | V | 36.8 | Very low | 52.8 | Low | 141 Ų | 141 | 110.8 Ų | 110.8 | 86% | 0.855 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 117.1 | 164.5 | 176.8 | 0 | 0 | 0 | 0 | 106.4 | P917 A921 | P917-V919 PolarHBondContact O-N 2.83Å; V919-A921 PolarHBondContact O-N 3.24Å |
| 920 | T | 36 | Very low | 54.2 | Low | 123 Ų | 123 | 109.6 Ų | 109.6 | 76% | 0.755 | 62% | 0.622 | S | S | * | * | trans | -62.8 | 103.8 | -179.3 | 46.5 | 0 | 0 | 0 | 0 | 109.8 | P918 Q922 | P918-T920 PolarHBondContact O-N 3.46Å; P918-T920 VanDerWaalsContact O-N 3.12Å; T920-Q922 PolarHBondContact O-N 2.9Å | ||
| 921 | A | 37.3 | Very low | 55.4 | Low | 94 Ų | 94 | 105 Ų | 105 | 78% | 0.777 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 126.6 | 159 | 0 | 0 | 0 | 0 | 0 | 107.5 | V919 | V919-A921 PolarHBondContact O-N 3.24Š|
| 922 | Q | 39.4 | Very low | 56.8 | Low | 141 Ų | 141 | 100.5 Ų | 100.5 | 66% | 0.659 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 141.8 | 175.6 | -69.8 | -164 | -22.6 | 0 | 0 | 109.3 | T920 I924 | T920-Q922 PolarHBondContact O-N 2.9Å; Q922-I924 PolarHBondContact O-N 3.33Å |
| 923 | P | 40.4 | Very low | 58.4 | Low | 66 Ų | 66 | 98.2 Ų | 98.2 | 43% | 0.429 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 127.5 | 173.9 | 27.3 | -33.6 | 0 | 0 | 0 | 109.3 | V925 | P923-V925 HydrophobicContact CB-CG2 4.24Å; P923-V925 HydrophobicContact CG-CG2 4.33Å; P923-V925 PolarHBondContact O-N 2.93Å |
| 924 | I | 46.4 | Very low | 60.2 | Low | 173 Ų | 173 | 92.5 Ų | 92.5 | 89% | 0.887 | 55% | 0.554 | S | S | * | * | trans | -74.7 | 83.1 | 170 | -56.3 | 177.5 | 0 | 0 | 0 | 107 | Q922 | Q922-I924 PolarHBondContact O-N 3.33Š| ||
| 925 | V | 58.2 | Low | 62.2 | Low | 29 Ų | 29 | 88.4 Ų | 88.4 | 18% | 0.176 | 55% | 0.546 | C | S | . | . | trans | -73.5 | 133.9 | 172.7 | 168.8 | 0 | 0 | 0 | 0 | 108.7 | P923 Q929 Y957 | P923-V925 HydrophobicContact CB-CG2 4.24Å; P923-V925 HydrophobicContact CG-CG2 4.33Å; P923-V925 PolarHBondContact O-N 2.93Å; V925-Q929 HydrophobicContact CG1-CB 3.91Å; V925-Q929 HydrophobicContact CG1-CG 3.96Å; V925-Y957 HydrophobicContact CB-CD1 4.39Å; V925-Y957 HydrophobicContact CB-CD2 3.78Å; V925-Y957 HydrophobicContact CB-CE1 4.36Å; V925-Y957 HydrophobicContact CB-CE2 3.72Å; V925-Y957 HydrophobicContact CB-CG 4.13Å; V925-Y957 HydrophobicContact CG1-CD1 3.91Å; V925-Y957 HydrophobicContact CG1-CD2 4.14Å; V925-Y957 HydrophobicContact CG1-CE1 4.09Å; V925-Y957 HydrophobicContact CG1-CE2 4.29Å; V925-Y957 HydrophobicContact CG1-CG 3.94Å; V925-Y957 HydrophobicContact CG2-CD2 3.41Å; V925-Y957 VanDerWaalsContact CG2-CD2 3.41Å; V925-Y957 HydrophobicContact CG2-CE2 3.78Å; V925-Y957 HydrophobicContact CG2-CG 3.89Å | ||
| 926 | S | 73.9 | Confident | 64.4 | Low | 59 Ų | 59 | 88.8 Ų | 88.8 | 41% | 0.413 | 54% | 0.539 | S | S | . | . | trans | -65.4 | 156 | -177.6 | 65.8 | 0 | 0 | 0 | 0 | 112.1 | D928 Q929 T930 | S926-D928 VanDerWaalsContact C-N 3.27Å; S926-D928 PolarHBondContact O-N 3.31Å; S926-Q929 PolarHBondContact O-N 2.89Å; S926-Q929 VanDerWaalsContact OG-CB 3.28Å; S926-Q929 WeakPolarHBondContact OG-CB 3.26Å; S926-Q929 PolarHBondContact OG-N 3.13Å; S926-T930 PolarHBondContact O-N 2.92Å; S926-T930 PolarHBondContact O-OG1 2.91Å | ||
| 927 | E | 77 | Confident | 66.6 | Low | 174 Ų | 174 | 86 Ų | 86 | 81% | 0.813 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -36.1 | 178 | -168.6 | 155.9 | -160.5 | 0 | 0 | 111.1 | T930 A931 | E927-T930 CarbonylContact O-C 3.55Å; E927-T930 WeakPolarHBondContact O-CB 3Å; E927-T930 PolarHBondContact O-N 3.48Å; E927-A931 WeakPolarHBondContact O-CB 3.41Å; E927-A931 PolarHBondContact O-N 2.94Å |
| 928 | D | 75.4 | Confident | 68.9 | Low | 133 Ų | 133 | 84 Ų | 84 | 71% | 0.711 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.2 | -43.7 | 173.4 | -59.4 | -45.3 | 0 | 0 | 0 | 113 | S926 T930 A931 A932 | S926-D928 VanDerWaalsContact C-N 3.27Å; S926-D928 PolarHBondContact O-N 3.31Å; D928-T930 VanDerWaalsContact C-N 3.29Å; D928-T930 PolarHBondContact O-N 3.43Å; D928-A931 PolarHBondContact O-N 3.45Å; D928-A931 VanDerWaalsContact O-N 3.17Å; D928-A932 WeakPolarHBondContact O-CB 3.43Å; D928-A932 PolarHBondContact O-N 3.14Å |
| 929 | Q | 84.8 | Confident | 71.4 | Confident | 104 Ų | 104 | 85.2 Ų | 85.2 | 49% | 0.486 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 176.1 | -174.3 | 173.3 | 27.3 | 0 | 0 | 110.8 | V925 S926 L933 | V925-Q929 HydrophobicContact CG1-CB 3.91Å; V925-Q929 HydrophobicContact CG1-CG 3.96Å; S926-Q929 PolarHBondContact O-N 2.89Å; S926-Q929 VanDerWaalsContact OG-CB 3.28Å; S926-Q929 WeakPolarHBondContact OG-CB 3.26Å; S926-Q929 PolarHBondContact OG-N 3.13Å; Q929-L933 HydrophobicContact CG-CD1 4.2Å; Q929-L933 WeakPolarHBondContact O-CB 3.22Å; Q929-L933 VanDerWaalsContact O-CG 3.23Å; Q929-L933 WeakPolarHBondContact O-CG 3.22Å; Q929-L933 PolarHBondContact O-N 2.84Å; Q929-L933 VanDerWaalsContact O-N 3.08Å |
| 930 | T | 87.9 | Confident | 73.6 | Confident | 18 Ų | 18 | 80.9 Ų | 80.9 | 11% | 0.11 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 171.1 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | S926 E927 D928 L933 M934 L949 Y957 | S926-T930 PolarHBondContact O-N 2.92Å; S926-T930 PolarHBondContact O-OG1 2.91Å; E927-T930 CarbonylContact O-C 3.55Å; E927-T930 WeakPolarHBondContact O-CB 3Å; E927-T930 PolarHBondContact O-N 3.48Å; D928-T930 VanDerWaalsContact C-N 3.29Å; D928-T930 PolarHBondContact O-N 3.43Å; T930-L933 PolarHBondContact O-N 3.28Å; T930-M934 HydrophobicContact CG2-CG 4.38Å; T930-M934 WeakPolarHBondContact O-CB 3.47Å; T930-M934 WeakPolarHBondContact O-CG 3.33Å; T930-M934 PolarHBondContact O-N 2.69Å; T930-L949 HydrophobicContact CG2-CD1 3.68Å; T930-Y957 HydrophobicContact CG2-CE1 4.05Å; T930-Y957 WeakPolarHBondContact OG1-CE1 3.24Å |
| 931 | A | 87.9 | Confident | 75.7 | Confident | 58 Ų | 58 | 75.8 Ų | 75.8 | 48% | 0.479 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E927 D928 M934 A935 | E927-A931 WeakPolarHBondContact O-CB 3.41Å; E927-A931 PolarHBondContact O-N 2.94Å; D928-A931 PolarHBondContact O-N 3.45Å; D928-A931 VanDerWaalsContact O-N 3.17Å; A931-M934 PolarHBondContact O-N 3.34Å; A931-A935 WeakPolarHBondContact O-CB 3.34Å; A931-A935 PolarHBondContact O-N 3.06Å |
| 932 | A | 91.4 | Very high | 78 | Confident | 61 Ų | 61 | 71.9 Ų | 71.9 | 50% | 0.504 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D928 M934 A935 H936 | D928-A932 WeakPolarHBondContact O-CB 3.43Å; D928-A932 PolarHBondContact O-N 3.14Å; A932-M934 VanDerWaalsContact C-N 3.32Å; A932-M934 PolarHBondContact O-N 2.62Å; A932-A935 PolarHBondContact O-N 3.22Å; A932-H936 PolarHBondContact O-N 3.38Å |
| 933 | L | 91.6 | Very high | 79.9 | Confident | 34 Ų | 34 | 69.4 Ų | 69.4 | 18% | 0.178 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.6 | -36.2 | 176.5 | -67.5 | 170.6 | 0 | 0 | 0 | 112 | Q929 T930 L937 L952 Y957 I959 | Q929-L933 HydrophobicContact CG-CD1 4.2Å; Q929-L933 WeakPolarHBondContact O-CB 3.22Å; Q929-L933 VanDerWaalsContact O-CG 3.23Å; Q929-L933 WeakPolarHBondContact O-CG 3.22Å; Q929-L933 PolarHBondContact O-N 2.84Å; Q929-L933 VanDerWaalsContact O-N 3.08Å; T930-L933 PolarHBondContact O-N 3.28Å; L933-L937 WeakPolarHBondContact O-CG 3.43Å; L933-L937 PolarHBondContact O-N 3.44Å; L933-L937 VanDerWaalsContact O-N 3.17Å; L933-L952 HydrophobicContact CB-CD1 4.16Å; L933-L952 HydrophobicContact CB-CD2 4.06Å; L933-L952 HydrophobicContact CD1-CD2 4.19Å; L933-Y957 HydrophobicContact CD1-CD1 4.33Å; L933-I959 HydrophobicContact CB-CD1 4.38Å; L933-I959 HydrophobicContact CD2-CB 4.16Å; L933-I959 HydrophobicContact CD2-CD1 3.91Å; L933-I959 HydrophobicContact CD2-CG2 4.45Å |
| 934 | M | 89 | Confident | 82.1 | Confident | 13 Ų | 13 | 70.2 Ų | 70.2 | 6% | 0.064 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 172.2 | -72.3 | -68.3 | -60.8 | 0 | 0 | 111.8 | T930 A931 A932 H936 L937 F938 R945 N948 L949 L952 | T930-M934 HydrophobicContact CG2-CG 4.38Å; T930-M934 WeakPolarHBondContact O-CB 3.47Å; T930-M934 WeakPolarHBondContact O-CG 3.33Å; T930-M934 PolarHBondContact O-N 2.69Å; A931-M934 PolarHBondContact O-N 3.34Å; A932-M934 VanDerWaalsContact C-N 3.32Å; A932-M934 PolarHBondContact O-N 2.62Å; M934-H936 VanDerWaalsContact C-N 3.34Å; M934-H936 PolarHBondContact O-N 3.14Å; M934-L937 PolarHBondContact O-N 3.47Å; M934-F938 HydrophobicContact CB-CE2 4.41Å; M934-F938 HydrophobicContact CE-CE2 4.05Å; M934-F938 HydrophobicContact CE-CZ 4.31Å; M934-F938 WeakPolarHBondContact O-CD2 3.46Å; M934-F938 PolarHBondContact O-N 2.86Å; M934-R945 HydrophobicContact CE-CB 4.23Å; M934-R945 HydrophobicContact CE-CG 3.52Å; M934-R945 WeakPolarHBondContact CE-O 3.38Å; M934-N948 HydrophobicContact CE-CB 3.75Å; M934-N948 HydrophobicContact SD-CB 3.62Å; M934-L949 HydrophobicContact CE-CB 4.46Å; M934-L949 HydrophobicContact SD-CB 4.15Å; M934-L952 HydrophobicContact CG-CD1 3.91Å; M934-L952 HydrophobicContact SD-CD1 3.56Å; M934-L952 VanDerWaalsContact SD-CD1 3.56Å |
| 935 | A | 89.1 | Confident | 84 | Confident | 56 Ų | 56 | 70.6 Ų | 70.6 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | A931 A932 L937 F938 E939 | A931-A935 WeakPolarHBondContact O-CB 3.34Å; A931-A935 PolarHBondContact O-N 3.06Å; A932-A935 PolarHBondContact O-N 3.22Å; A935-L937 PolarHBondContact O-N 3.04Å; A935-F938 WeakPolarHBondContact O-CB 2.95Å; A935-F938 PolarHBondContact O-N 3.01Å; A935-E939 WeakPolarHBondContact O-CB 3.31Å; A935-E939 PolarHBondContact O-N 3.09Å |
| 936 | H | 90.6 | Very high | 85.4 | Confident | 86 Ų | 86 | 76.3 Ų | 76.3 | 40% | 0.398 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.8 | -32.7 | 176.9 | -165.3 | 48.7 | 0 | 0 | 0 | 112.8 | A932 M934 E939 M940 I959 | A932-H936 PolarHBondContact O-N 3.38Å; M934-H936 VanDerWaalsContact C-N 3.34Å; M934-H936 PolarHBondContact O-N 3.14Å; H936-E939 IonicContact CE1-OE2 3.85Å; H936-E939 IonicContact CG-OE2 2.73Å; H936-E939 IonicContact ND1-OE2 2.71Å; H936-E939 PolarHBondContact ND1-OE2 3.3Å; H936-E939 PolarHBondContact O-N 2.94Å; H936-M940 WeakPolarHBondContact O-CE 3.39Å; H936-M940 PolarHBondContact O-N 3.39Å; H936-M940 VanDerWaalsContact O-N 3.11Å; H936-I959 HydrophobicContact CB-CD1 4.08Å |
| 937 | L | 89.9 | Confident | 86 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 170.5 | -70 | 168.8 | 0 | 0 | 0 | 112.3 | L933 M934 A935 M940 G941 F942 N948 L952 I959 V962 V963 L966 | L933-L937 WeakPolarHBondContact O-CG 3.43Å; L933-L937 PolarHBondContact O-N 3.44Å; L933-L937 VanDerWaalsContact O-N 3.17Å; M934-L937 PolarHBondContact O-N 3.47Å; A935-L937 PolarHBondContact O-N 3.04Å; L937-M940 HydrophobicContact CD2-CE 4.05Å; L937-G941 PolarHBondContact O-N 3.18Å; L937-F942 HydrophobicContact CB-CB 4.5Å; L937-F942 HydrophobicContact CD2-CD2 4.25Å; L937-F942 WeakPolarHBondContact O-CB 3.24Å; L937-F942 PolarHBondContact O-N 3.24Å; L937-N948 WeakPolarHBondContact CB-ND2 3.39Å; L937-N948 HydrophobicContact CD1-CB 3.82Å; L937-L952 HydrophobicContact CD1-CD1 3.98Å; L937-L952 HydrophobicContact CD1-CD2 4.45Å; L937-L952 HydrophobicContact CD1-CG 4.13Å; L937-I959 HydrophobicContact CD2-CD1 4.19Å; L937-I959 HydrophobicContact CD2-CG1 4.01Å; L937-I959 HydrophobicContact CG-CD1 3.94Å; L937-I959 HydrophobicContact CG-CG1 4.25Å; L937-V962 HydrophobicContact CD1-CG1 3.81Å; L937-V962 HydrophobicContact CD2-CG1 3.98Å; L937-V963 HydrophobicContact CD2-CG2 3.65Å; L937-L966 HydrophobicContact CD2-CD1 3.9Å |
| 938 | F | 86.8 | Confident | 86.7 | Confident | 80 Ų | 80 | 66.7 Ų | 66.7 | 35% | 0.351 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 172.2 | -73.7 | -66.1 | 0 | 0 | 0 | 112.2 | M934 A935 M940 G941 C943 R945 | M934-F938 HydrophobicContact CB-CE2 4.41Å; M934-F938 HydrophobicContact CE-CE2 4.05Å; M934-F938 HydrophobicContact CE-CZ 4.31Å; M934-F938 WeakPolarHBondContact O-CD2 3.46Å; M934-F938 PolarHBondContact O-N 2.86Å; A935-F938 WeakPolarHBondContact O-CB 2.95Å; A935-F938 PolarHBondContact O-N 3.01Å; F938-M940 VanDerWaalsContact C-N 3.32Å; F938-M940 PolarHBondContact O-N 3.44Å; F938-G941 WeakPolarHBondContact O-CA 3.48Å; F938-G941 PolarHBondContact O-N 3.32Å; F938-C943 WeakPolarHBondContact CE1-O 3.41Å; F938-R945 HydrophobicContact CE2-CG 4.49Å; F938-R945 HydrophobicContact CZ-CB 3.88Å; F938-R945 HydrophobicContact CZ-CG 3.95Å |
| 939 | E | 88.9 | Confident | 87.4 | Confident | 146 Ų | 146 | 62.7 Ų | 62.7 | 68% | 0.682 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.2 | -38.7 | 177.9 | -178.6 | -179.2 | -145.4 | 0 | 0 | 112.7 | A935 H936 G941 | A935-E939 WeakPolarHBondContact O-CB 3.31Å; A935-E939 PolarHBondContact O-N 3.09Å; H936-E939 IonicContact CE1-OE2 3.85Å; H936-E939 IonicContact CG-OE2 2.73Å; H936-E939 IonicContact ND1-OE2 2.71Å; H936-E939 PolarHBondContact ND1-OE2 3.3Å; H936-E939 PolarHBondContact O-N 2.94Å; E939-G941 VanDerWaalsContact C-N 3.25Å; E939-G941 PolarHBondContact O-N 2.91Å |
| 940 | M | 83.1 | Confident | 87.7 | Confident | 51 Ų | 51 | 65.4 Ų | 65.4 | 25% | 0.251 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.5 | -23 | 172.7 | -74.6 | -178.3 | -85.6 | 0 | 0 | 113.2 | H936 L937 F938 F942 I959 V963 W974 R978 | H936-M940 WeakPolarHBondContact O-CE 3.39Å; H936-M940 PolarHBondContact O-N 3.39Å; H936-M940 VanDerWaalsContact O-N 3.11Å; L937-M940 HydrophobicContact CD2-CE 4.05Å; F938-M940 VanDerWaalsContact C-N 3.32Å; F938-M940 PolarHBondContact O-N 3.44Å; M940-F942 HydrophobicContact CB-CD2 3.84Å; M940-F942 HydrophobicContact CB-CE2 3.9Å; M940-F942 HydrophobicContact SD-CE2 4.47Å; M940-I959 HydrophobicContact CE-CD1 4.31Å; M940-I959 HydrophobicContact CE-CG1 4.42Å; M940-V963 HydrophobicContact CE-CG2 3.72Å; M940-V963 HydrophobicContact SD-CG2 3.96Å; M940-W974 WeakPolarHBondContact O-CZ3 3.33Å; M940-R978 PolarHBondContact O-NH2 2.68Å |
| 941 | G | 81 | Confident | 87.8 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 111.9 | 8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L937 F938 E939 C943 | L937-G941 PolarHBondContact O-N 3.18Å; F938-G941 WeakPolarHBondContact O-CA 3.48Å; F938-G941 PolarHBondContact O-N 3.32Å; E939-G941 VanDerWaalsContact C-N 3.25Å; E939-G941 PolarHBondContact O-N 2.91Å; G941-C943 PolarHBondContact O-N 3.41Å; G941-C943 VanDerWaalsContact O-N 3.13Å |
| 942 | F | 85.3 | Confident | 88.1 | Confident | 13 Ų | 13 | 62 Ų | 62 | 6% | 0.057 | 31% | 0.313 | C | S | . | . | trans | -84 | 84.8 | 177.5 | -59.6 | -74 | 0 | 0 | 0 | 110.3 | L937 M940 D944 N948 V963 L966 L967 W974 | L937-F942 HydrophobicContact CB-CB 4.5Å; L937-F942 HydrophobicContact CD2-CD2 4.25Å; L937-F942 WeakPolarHBondContact O-CB 3.24Å; L937-F942 PolarHBondContact O-N 3.24Å; M940-F942 HydrophobicContact CB-CD2 3.84Å; M940-F942 HydrophobicContact CB-CE2 3.9Å; M940-F942 HydrophobicContact SD-CE2 4.47Å; F942-D944 PolarHBondContact O-N 3.42Å; F942-N948 PolarHBondContact O-ND2 3.37Å; F942-V963 HydrophobicContact CE2-CG1 4.07Å; F942-V963 HydrophobicContact CE2-CG2 4.17Å; F942-V963 HydrophobicContact CZ-CG1 4.2Å; F942-L966 HydrophobicContact CB-CD1 3.98Å; F942-L966 HydrophobicContact CD1-CB 3.79Å; F942-L966 HydrophobicContact CD1-CD1 3.89Å; F942-L966 HydrophobicContact CD1-CD2 4.41Å; F942-L966 HydrophobicContact CD1-CG 4.25Å; F942-L966 HydrophobicContact CD2-CD1 4.1Å; F942-L966 HydrophobicContact CE1-CB 3.67Å; F942-L966 HydrophobicContact CE1-CD1 4.4Å; F942-L966 HydrophobicContact CG-CB 4.46Å; F942-L966 HydrophobicContact CG-CD1 3.72Å; F942-L966 HydrophobicContact CZ-CB 4.25Å; F942-L967 HydrophobicContact CE1-CD2 4.35Å; F942-L967 HydrophobicContact CZ-CD2 3.95Å; F942-L967 HydrophobicContact CZ-CG 4.17Å; F942-W974 HydrophobicContact CE1-CB 3.96Å; F942-W974 HydrophobicContact CE1-CG 4.43Å | ||
| 943 | C | 79.4 | Confident | 87.9 | Confident | 88 Ų | 88 | 65.8 Ų | 65.8 | 60% | 0.595 | 31% | 0.314 | S | S | * | . | trans | -80.5 | -4.5 | -169.9 | -65 | 0 | 0 | 0 | 0 | 116.4 | F938 G941 R945 | F938-C943 WeakPolarHBondContact CE1-O 3.41Å; G941-C943 PolarHBondContact O-N 3.41Å; G941-C943 VanDerWaalsContact O-N 3.13Å; C943-R945 PolarHBondContact O-N 2.74Å; C943-R945 VanDerWaalsContact O-N 3.12Å | ||
| 944 | D | 85.8 | Confident | 87.9 | Confident | 83 Ų | 83 | 69.8 Ų | 69.8 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | trans | -79.3 | 97 | 176.1 | -174.1 | -18.6 | 0 | 0 | 0 | 111.7 | F942 Q946 L947 N948 | F942-D944 PolarHBondContact O-N 3.42Å; D944-Q946 PolarHBondContact O-N 3.13Å; D944-Q946 WeakPolarHBondContact OD1-CA 3.31Å; D944-Q946 PolarHBondContact OD1-N 2.89Å; D944-L947 HydrophobicContact CB-CB 3.87Å; D944-L947 PolarHBondContact O-N 3.36Å; D944-L947 PolarHBondContact OD1-N 3.19Å; D944-L947 VanDerWaalsContact OD2-CB 3.31Å; D944-L947 WeakPolarHBondContact OD2-CB 3.48Å; D944-N948 VanDerWaalsContact O-CB 3.3Å; D944-N948 WeakPolarHBondContact O-CB 3.38Å; D944-N948 PolarHBondContact O-N 3.48Å; D944-N948 PolarHBondContact O-ND2 3.39Å; D944-N948 PolarHBondContact O-OD1 3.45Å | ||
| 945 | R | 87.3 | Confident | 87.9 | Confident | 181 Ų | 181 | 70.8 Ų | 70.8 | 68% | 0.683 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -57.1 | -32.6 | 177.4 | -162.6 | 178.9 | 175.7 | 172.5 | -1.3 | 113.5 | M934 F938 C943 L949 | M934-R945 HydrophobicContact CE-CB 4.23Å; M934-R945 HydrophobicContact CE-CG 3.52Å; M934-R945 WeakPolarHBondContact CE-O 3.38Å; F938-R945 HydrophobicContact CE2-CG 4.49Å; F938-R945 HydrophobicContact CZ-CB 3.88Å; F938-R945 HydrophobicContact CZ-CG 3.95Å; C943-R945 PolarHBondContact O-N 2.74Å; C943-R945 VanDerWaalsContact O-N 3.12Å; R945-L949 WeakPolarHBondContact O-CB 3.45Å; R945-L949 PolarHBondContact O-N 3.15Å |
| 946 | Q | 86.9 | Confident | 88 | Confident | 149 Ų | 149 | 72.9 Ų | 72.9 | 70% | 0.696 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -83.8 | -39.9 | -175.7 | -61.9 | -167.7 | 12 | 0 | 0 | 111.9 | D944 R950 | D944-Q946 PolarHBondContact O-N 3.13Å; D944-Q946 WeakPolarHBondContact OD1-CA 3.31Å; D944-Q946 PolarHBondContact OD1-N 2.89Å; Q946-R950 VanDerWaalsContact O-CB 3.3Å; Q946-R950 WeakPolarHBondContact O-CB 3.3Å; Q946-R950 PolarHBondContact O-N 2.84Å; Q946-R950 VanDerWaalsContact O-N 3.09Å |
| 947 | L | 87.6 | Confident | 87.9 | Confident | 30 Ų | 30 | 70.8 Ų | 70.8 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.3 | -48.3 | 173.9 | -177.3 | 60.5 | 0 | 0 | 0 | 110.9 | D944 L949 R950 L951 L966 I969 | D944-L947 HydrophobicContact CB-CB 3.87Å; D944-L947 PolarHBondContact O-N 3.36Å; D944-L947 PolarHBondContact OD1-N 3.19Å; D944-L947 VanDerWaalsContact OD2-CB 3.31Å; D944-L947 WeakPolarHBondContact OD2-CB 3.48Å; L947-L949 PolarHBondContact O-N 3.46Å; L947-R950 WeakPolarHBondContact O-CB 3.33Å; L947-R950 PolarHBondContact O-N 3.11Å; L947-L951 HydrophobicContact CD1-CD1 3.97Å; L947-L951 HydrophobicContact CD1-CG 4.15Å; L947-L951 HydrophobicContact CG-CD1 3.93Å; L947-L951 HydrophobicContact CG-CG 4.45Å; L947-L951 WeakPolarHBondContact O-CB 3.38Å; L947-L951 WeakPolarHBondContact O-CG 3.49Å; L947-L951 PolarHBondContact O-N 3.32Å; L947-L966 HydrophobicContact CD2-CD2 3.62Å; L947-L966 HydrophobicContact CG-CD2 3.84Å; L947-I969 HydrophobicContact CD1-CD1 4.28Å; L947-I969 HydrophobicContact CD2-CG2 4.38Å |
| 948 | N | 91.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.6 | -49.1 | 178.1 | -70.5 | -2.7 | 0 | 0 | 0 | 112.1 | M934 L937 F942 D944 R950 L951 L952 L966 | M934-N948 HydrophobicContact CE-CB 3.75Å; M934-N948 HydrophobicContact SD-CB 3.62Å; L937-N948 WeakPolarHBondContact CB-ND2 3.39Å; L937-N948 HydrophobicContact CD1-CB 3.82Å; F942-N948 PolarHBondContact O-ND2 3.37Å; D944-N948 VanDerWaalsContact O-CB 3.3Å; D944-N948 WeakPolarHBondContact O-CB 3.38Å; D944-N948 PolarHBondContact O-N 3.48Å; D944-N948 PolarHBondContact O-ND2 3.39Å; D944-N948 PolarHBondContact O-OD1 3.45Å; N948-R950 VanDerWaalsContact C-N 3.32Å; N948-R950 PolarHBondContact O-N 3.12Å; N948-L951 PolarHBondContact O-N 3.24Å; N948-L952 WeakPolarHBondContact O-CB 3.49Å; N948-L952 WeakPolarHBondContact O-CG 3.23Å; N948-L952 PolarHBondContact O-N 3.42Å; N948-L966 WeakPolarHBondContact OD1-CD1 3.5Å |
| 949 | L | 90.1 | Very high | 88.1 | Confident | 49 Ų | 49 | 71.7 Ų | 71.7 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.6 | -35.2 | 179.6 | -176.1 | 63 | 0 | 0 | 0 | 112.2 | T930 M934 R945 L947 R953 | T930-L949 HydrophobicContact CG2-CD1 3.68Å; M934-L949 HydrophobicContact CE-CB 4.46Å; M934-L949 HydrophobicContact SD-CB 4.15Å; R945-L949 WeakPolarHBondContact O-CB 3.45Å; R945-L949 PolarHBondContact O-N 3.15Å; L947-L949 PolarHBondContact O-N 3.46Å; L949-R953 WeakPolarHBondContact O-CG 3.37Å; L949-R953 PolarHBondContact O-N 3.46Å; L949-R953 VanDerWaalsContact O-N 3.15Å |
| 950 | R | 90.1 | Very high | 88.1 | Confident | 162 Ų | 162 | 71 Ų | 71 | 61% | 0.611 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.7 | -43 | 173.9 | -174.6 | -176.1 | -61.9 | 155.5 | 5.1 | 111.3 | Q946 L947 N948 R953 K954 | Q946-R950 VanDerWaalsContact O-CB 3.3Å; Q946-R950 WeakPolarHBondContact O-CB 3.3Å; Q946-R950 PolarHBondContact O-N 2.84Å; Q946-R950 VanDerWaalsContact O-N 3.09Å; L947-R950 WeakPolarHBondContact O-CB 3.33Å; L947-R950 PolarHBondContact O-N 3.11Å; N948-R950 VanDerWaalsContact C-N 3.32Å; N948-R950 PolarHBondContact O-N 3.12Å; R950-R953 PolarHBondContact O-N 3.12Å; R950-K954 WeakPolarHBondContact O-CB 3.41Å; R950-K954 PolarHBondContact O-N 2.96Å |
| 951 | L | 91.1 | Very high | 88.4 | Confident | 5 Ų | 5 | 73.1 Ų | 73.1 | 3% | 0.026 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -72.8 | -38.7 | -179.7 | -69.4 | 176.3 | 0 | 0 | 0 | 112.4 | L947 N948 R953 K954 H955 V962 E965 L966 I969 | L947-L951 HydrophobicContact CD1-CD1 3.97Å; L947-L951 HydrophobicContact CD1-CG 4.15Å; L947-L951 HydrophobicContact CG-CD1 3.93Å; L947-L951 HydrophobicContact CG-CG 4.45Å; L947-L951 WeakPolarHBondContact O-CB 3.38Å; L947-L951 WeakPolarHBondContact O-CG 3.49Å; L947-L951 PolarHBondContact O-N 3.32Å; N948-L951 PolarHBondContact O-N 3.24Å; L951-R953 VanDerWaalsContact C-N 3.33Å; L951-R953 PolarHBondContact O-N 3.45Å; L951-K954 HydrophobicContact CD2-CD 3.96Å; L951-K954 WeakPolarHBondContact O-CB 3.46Å; L951-K954 PolarHBondContact O-N 3.42Å; L951-K954 VanDerWaalsContact O-N 3.11Å; L951-H955 PolarHBondContact O-CD2 3.33Å; L951-H955 PolarHBondContact O-N 2.62Å; L951-V962 VanDerWaalsContact C-CG2 3.5Å; L951-V962 HydrophobicContact CB-CB 4.39Å; L951-V962 HydrophobicContact CB-CG1 3.79Å; L951-V962 HydrophobicContact CB-CG2 4.08Å; L951-V962 HydrophobicContact CD1-CG1 4.48Å; L951-V962 WeakPolarHBondContact O-CG2 3.47Å; L951-E965 HydrophobicContact CD2-CB 4.45Å; L951-E965 VanDerWaalsContact CD2-CD 3.46Å; L951-E965 HydrophobicContact CD2-CG 4.03Å; L951-E965 VanDerWaalsContact CD2-OE1 3.27Å; L951-E965 WeakPolarHBondContact CD2-OE1 3.37Å; L951-L966 HydrophobicContact CD1-CD2 3.56Å; L951-L966 HydrophobicContact CD1-CG 3.62Å; L951-I969 HydrophobicContact CD1-CD1 4.22Å |
| 952 | L | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.2 | -48.2 | 170.1 | -78.1 | 168 | 0 | 0 | 0 | 110.6 | L933 M934 L937 N948 K954 H955 N956 Y957 V962 | L933-L952 HydrophobicContact CB-CD1 4.16Å; L933-L952 HydrophobicContact CB-CD2 4.06Å; L933-L952 HydrophobicContact CD1-CD2 4.19Å; M934-L952 HydrophobicContact CG-CD1 3.91Å; M934-L952 HydrophobicContact SD-CD1 3.56Å; M934-L952 VanDerWaalsContact SD-CD1 3.56Å; L937-L952 HydrophobicContact CD1-CD1 3.98Å; L937-L952 HydrophobicContact CD1-CD2 4.45Å; L937-L952 HydrophobicContact CD1-CG 4.13Å; N948-L952 WeakPolarHBondContact O-CB 3.49Å; N948-L952 WeakPolarHBondContact O-CG 3.23Å; N948-L952 PolarHBondContact O-N 3.42Å; L952-K954 VanDerWaalsContact C-N 3.31Å; L952-K954 PolarHBondContact O-N 3.23Å; L952-H955 PolarHBondContact O-N 3.31Å; L952-N956 PolarHBondContact O-N 2.85Å; L952-Y957 HydrophobicContact CB-CD1 3.84Å; L952-Y957 HydrophobicContact CB-CE1 4.18Å; L952-Y957 HydrophobicContact CD2-CD1 4.34Å; L952-Y957 WeakPolarHBondContact O-CA 3.25Å; L952-Y957 PolarHBondContact O-N 3.29Å; L952-V962 HydrophobicContact CB-CG2 4.49Å; L952-V962 HydrophobicContact CD2-CG2 3.93Å; L952-V962 HydrophobicContact CG-CG2 4.11Å |
| 953 | R | 88.4 | Confident | 89.1 | Confident | 140 Ų | 140 | 73 Ų | 73 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.2 | -30.7 | 175.2 | -71.1 | 175.3 | 179.6 | -177.8 | 1.2 | 113.6 | L949 R950 L951 | L949-R953 WeakPolarHBondContact O-CG 3.37Å; L949-R953 PolarHBondContact O-N 3.46Å; L949-R953 VanDerWaalsContact O-N 3.15Å; R950-R953 PolarHBondContact O-N 3.12Å; L951-R953 VanDerWaalsContact C-N 3.33Å; L951-R953 PolarHBondContact O-N 3.45Å |
| 954 | K | 90.8 | Very high | 89.6 | Confident | 118 Ų | 118 | 73.4 Ų | 73.4 | 51% | 0.513 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.5 | -39.5 | 175.4 | -169.6 | -168.1 | -178.3 | -163.9 | 0 | 112.4 | R950 L951 L952 E965 | R950-K954 WeakPolarHBondContact O-CB 3.41Å; R950-K954 PolarHBondContact O-N 2.96Å; L951-K954 HydrophobicContact CD2-CD 3.96Å; L951-K954 WeakPolarHBondContact O-CB 3.46Å; L951-K954 PolarHBondContact O-N 3.42Å; L951-K954 VanDerWaalsContact O-N 3.11Å; L952-K954 VanDerWaalsContact C-N 3.31Å; L952-K954 PolarHBondContact O-N 3.23Å; K954-E965 IonicContact NZ-OE1 2.68Å; K954-E965 PolarHBondContact NZ-OE1 2.93Å; K954-E965 IonicContact NZ-OE2 3.36Å; K954-E965 PolarHBondContact NZ-OE2 2.87Å |
| 955 | H | 89.7 | Confident | 89.7 | Confident | 33 Ų | 33 | 71.6 Ų | 71.6 | 15% | 0.153 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 23.4 | -173 | -67.7 | -60.9 | 0 | 0 | 0 | 113.9 | L951 L952 Y957 N958 Q961 V962 E965 | L951-H955 PolarHBondContact O-CD2 3.33Å; L951-H955 PolarHBondContact O-N 2.62Å; L952-H955 PolarHBondContact O-N 3.31Å; H955-Y957 PolarHBondContact O-N 2.94Å; H955-N958 HydrophobicContact CB-CB 4.49Å; H955-N958 WeakPolarHBondContact O-CB 3.15Å; H955-N958 PolarHBondContact O-N 3.4Å; H955-Q961 HydrophobicContact CB-CB 3.88Å; H955-V962 HydrophobicContact CB-CG2 4.16Å; H955-E965 IonicContact CD2-OE2 2.7Å; H955-E965 IonicContact CE1-OE2 3.45Å; H955-E965 PolarHBondContact CE1-OE2 3Å; H955-E965 IonicContact NE2-OE2 3.83Å; H955-E965 PolarHBondContact NE2-OE2 3.46Å |
| 956 | N | 90.1 | Very high | 89.7 | Confident | 100 Ų | 100 | 63.1 Ų | 63.1 | 54% | 0.535 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 42.5 | -178.1 | -55.7 | -69.5 | 0 | 0 | 0 | 113 | L952 N958 | L952-N956 PolarHBondContact O-N 2.85Å; N956-N958 PolarHBondContact O-N 2.9Å |
| 957 | Y | 89.6 | Confident | 89.6 | Confident | 42 Ų | 42 | 58.2 Ų | 58.2 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 15.3 | -179.2 | -57.3 | -94.7 | 0 | 0 | 0 | 115.3 | V925 T930 L933 L952 H955 I959 | V925-Y957 HydrophobicContact CB-CD1 4.39Å; V925-Y957 HydrophobicContact CB-CD2 3.78Å; V925-Y957 HydrophobicContact CB-CE1 4.36Å; V925-Y957 HydrophobicContact CB-CE2 3.72Å; V925-Y957 HydrophobicContact CB-CG 4.13Å; V925-Y957 HydrophobicContact CG1-CD1 3.91Å; V925-Y957 HydrophobicContact CG1-CD2 4.14Å; V925-Y957 HydrophobicContact CG1-CE1 4.09Å; V925-Y957 HydrophobicContact CG1-CE2 4.29Å; V925-Y957 HydrophobicContact CG1-CG 3.94Å; V925-Y957 HydrophobicContact CG2-CD2 3.41Å; V925-Y957 VanDerWaalsContact CG2-CD2 3.41Å; V925-Y957 HydrophobicContact CG2-CE2 3.78Å; V925-Y957 HydrophobicContact CG2-CG 3.89Å; T930-Y957 HydrophobicContact CG2-CE1 4.05Å; T930-Y957 WeakPolarHBondContact OG1-CE1 3.24Å; L933-Y957 HydrophobicContact CD1-CD1 4.33Å; L952-Y957 HydrophobicContact CB-CD1 3.84Å; L952-Y957 HydrophobicContact CB-CE1 4.18Å; L952-Y957 HydrophobicContact CD2-CD1 4.34Å; L952-Y957 WeakPolarHBondContact O-CA 3.25Å; L952-Y957 PolarHBondContact O-N 3.29Å; H955-Y957 PolarHBondContact O-N 2.94Å; Y957-I959 PolarHBondContact O-N 3.43Å; Y957-I959 VanDerWaalsContact O-N 3.08Å |
| 958 | N | 89.6 | Confident | 89.3 | Confident | 65 Ų | 65 | 64 Ų | 64 | 35% | 0.348 | 30% | 0.303 | S | S | . | . | trans | -73 | 97.2 | 173.1 | -174.6 | -14.8 | 0 | 0 | 0 | 111.8 | H955 N956 L960 Q961 V962 | H955-N958 HydrophobicContact CB-CB 4.49Å; H955-N958 WeakPolarHBondContact O-CB 3.15Å; H955-N958 PolarHBondContact O-N 3.4Å; N956-N958 PolarHBondContact O-N 2.9Å; N958-L960 VanDerWaalsContact C-N 3.26Å; N958-L960 PolarHBondContact O-N 2.97Å; N958-L960 PolarHBondContact OD1-N 3.25Å; N958-Q961 HydrophobicContact CB-CB 4.35Å; N958-Q961 HydrophobicContact CB-CG 4.43Å; N958-Q961 VanDerWaalsContact ND2-CD 3.32Å; N958-Q961 PolarHBondContact ND2-OE1 2.66Å; N958-Q961 PolarHBondContact O-N 2.78Å; N958-Q961 VanDerWaalsContact O-N 3.09Å; N958-V962 PolarHBondContact O-N 3.03Å; N958-V962 VanDerWaalsContact O-N 3.11Å | ||
| 959 | I | 90.1 | Very high | 88.7 | Confident | 34 Ų | 34 | 67.8 Ų | 67.8 | 17% | 0.174 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.8 | -30.4 | -175.4 | -164.7 | 149.6 | 0 | 0 | 0 | 114.3 | L933 H936 L937 M940 Y957 Q961 V962 V963 | L933-I959 HydrophobicContact CB-CD1 4.38Å; L933-I959 HydrophobicContact CD2-CB 4.16Å; L933-I959 HydrophobicContact CD2-CD1 3.91Å; L933-I959 HydrophobicContact CD2-CG2 4.45Å; H936-I959 HydrophobicContact CB-CD1 4.08Å; L937-I959 HydrophobicContact CD2-CD1 4.19Å; L937-I959 HydrophobicContact CD2-CG1 4.01Å; L937-I959 HydrophobicContact CG-CD1 3.94Å; L937-I959 HydrophobicContact CG-CG1 4.25Å; M940-I959 HydrophobicContact CE-CD1 4.31Å; M940-I959 HydrophobicContact CE-CG1 4.42Å; Y957-I959 PolarHBondContact O-N 3.43Å; Y957-I959 VanDerWaalsContact O-N 3.08Å; I959-Q961 PolarHBondContact O-N 3.24Å; I959-V962 PolarHBondContact O-N 3.38Å; I959-V963 HydrophobicContact CG1-CG2 4.34Å; I959-V963 WeakPolarHBondContact O-CG2 3.45Å; I959-V963 PolarHBondContact O-N 2.84Å |
| 960 | L | 89.8 | Confident | 87.6 | Confident | 133 Ų | 133 | 67.8 Ų | 67.8 | 70% | 0.696 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.4 | -40.2 | 176.4 | -74.8 | 162.6 | 0 | 0 | 0 | 111.7 | N958 T964 | N958-L960 VanDerWaalsContact C-N 3.26Å; N958-L960 PolarHBondContact O-N 2.97Å; N958-L960 PolarHBondContact OD1-N 3.25Å; L960-T964 WeakPolarHBondContact O-CB 3.28Å; L960-T964 PolarHBondContact O-N 3.4Å; L960-T964 PolarHBondContact O-OG1 2.67Å |
| 961 | Q | 89.9 | Confident | 86.4 | Confident | 94 Ų | 94 | 66.2 Ų | 66.2 | 44% | 0.439 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -72.1 | -35.4 | 176.1 | -70 | 178.1 | -41.3 | 0 | 0 | 111.5 | H955 N958 I959 T964 E965 | H955-Q961 HydrophobicContact CB-CB 3.88Å; N958-Q961 HydrophobicContact CB-CB 4.35Å; N958-Q961 HydrophobicContact CB-CG 4.43Å; N958-Q961 VanDerWaalsContact ND2-CD 3.32Å; N958-Q961 PolarHBondContact ND2-OE1 2.66Å; N958-Q961 PolarHBondContact O-N 2.78Å; N958-Q961 VanDerWaalsContact O-N 3.09Å; I959-Q961 PolarHBondContact O-N 3.24Å; Q961-T964 PolarHBondContact O-N 2.83Å; Q961-E965 PolarHBondContact O-N 3.08Å |
| 962 | V | 91.1 | Very high | 85 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -50.8 | 173.4 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | L937 L951 L952 H955 N958 I959 T964 E965 L966 | L937-V962 HydrophobicContact CD1-CG1 3.81Å; L937-V962 HydrophobicContact CD2-CG1 3.98Å; L951-V962 VanDerWaalsContact C-CG2 3.5Å; L951-V962 HydrophobicContact CB-CB 4.39Å; L951-V962 HydrophobicContact CB-CG1 3.79Å; L951-V962 HydrophobicContact CB-CG2 4.08Å; L951-V962 HydrophobicContact CD1-CG1 4.48Å; L951-V962 WeakPolarHBondContact O-CG2 3.47Å; L952-V962 HydrophobicContact CB-CG2 4.49Å; L952-V962 HydrophobicContact CD2-CG2 3.93Å; L952-V962 HydrophobicContact CG-CG2 4.11Å; H955-V962 HydrophobicContact CB-CG2 4.16Å; N958-V962 PolarHBondContact O-N 3.03Å; N958-V962 VanDerWaalsContact O-N 3.11Å; I959-V962 PolarHBondContact O-N 3.38Å; V962-T964 VanDerWaalsContact C-N 3.32Å; V962-T964 PolarHBondContact O-N 2.73Å; V962-E965 PolarHBondContact O-N 3.27Å; V962-L966 HydrophobicContact CG1-CD1 3.66Å; V962-L966 HydrophobicContact CG1-CG 4.26Å; V962-L966 WeakPolarHBondContact O-CB 3.25Å; V962-L966 VanDerWaalsContact O-CG 3.31Å; V962-L966 WeakPolarHBondContact O-CG 3.23Å; V962-L966 PolarHBondContact O-N 3.04Å |
| 963 | V | 90.2 | Very high | 83.3 | Confident | 27 Ų | 27 | 73.9 Ų | 73.9 | 16% | 0.164 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.3 | -42 | 177.3 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | L937 M940 F942 I959 E965 L966 L967 | L937-V963 HydrophobicContact CD2-CG2 3.65Å; M940-V963 HydrophobicContact CE-CG2 3.72Å; M940-V963 HydrophobicContact SD-CG2 3.96Å; F942-V963 HydrophobicContact CE2-CG1 4.07Å; F942-V963 HydrophobicContact CE2-CG2 4.17Å; F942-V963 HydrophobicContact CZ-CG1 4.2Å; I959-V963 HydrophobicContact CG1-CG2 4.34Å; I959-V963 WeakPolarHBondContact O-CG2 3.45Å; I959-V963 PolarHBondContact O-N 2.84Å; V963-E965 VanDerWaalsContact C-N 3.33Å; V963-E965 PolarHBondContact O-N 3.45Å; V963-L966 PolarHBondContact O-N 3.21Å; V963-L967 HydrophobicContact CG1-CD1 3.88Å; V963-L967 HydrophobicContact CG1-CG 4.24Å; V963-L967 WeakPolarHBondContact O-CB 3.41Å; V963-L967 VanDerWaalsContact O-CG 3.24Å; V963-L967 WeakPolarHBondContact O-CG 3.47Å; V963-L967 PolarHBondContact O-N 3.08Å |
| 964 | T | 88.9 | Confident | 81.9 | Confident | 95 Ų | 95 | 70.6 Ų | 70.6 | 58% | 0.583 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.8 | -42 | 176.9 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | L960 Q961 V962 H968 | L960-T964 WeakPolarHBondContact O-CB 3.28Å; L960-T964 PolarHBondContact O-N 3.4Å; L960-T964 PolarHBondContact O-OG1 2.67Å; Q961-T964 PolarHBondContact O-N 2.83Å; V962-T964 VanDerWaalsContact C-N 3.32Å; V962-T964 PolarHBondContact O-N 2.73Å; T964-H968 PolarHBondContact O-N 3.34Å |
| 965 | E | 88.4 | Confident | 80.3 | Confident | 46 Ų | 46 | 71.4 Ų | 71.4 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -75 | -35.6 | 177.1 | -170 | 168.8 | 154.4 | 0 | 0 | 112.9 | L951 K954 H955 Q961 V962 V963 H968 I969 | L951-E965 HydrophobicContact CD2-CB 4.45Å; L951-E965 VanDerWaalsContact CD2-CD 3.46Å; L951-E965 HydrophobicContact CD2-CG 4.03Å; L951-E965 VanDerWaalsContact CD2-OE1 3.27Å; L951-E965 WeakPolarHBondContact CD2-OE1 3.37Å; K954-E965 IonicContact NZ-OE1 2.68Å; K954-E965 PolarHBondContact NZ-OE1 2.93Å; K954-E965 IonicContact NZ-OE2 3.36Å; K954-E965 PolarHBondContact NZ-OE2 2.87Å; H955-E965 IonicContact CD2-OE2 2.7Å; H955-E965 IonicContact CE1-OE2 3.45Å; H955-E965 PolarHBondContact CE1-OE2 3Å; H955-E965 IonicContact NE2-OE2 3.83Å; H955-E965 PolarHBondContact NE2-OE2 3.46Å; Q961-E965 PolarHBondContact O-N 3.08Å; V962-E965 PolarHBondContact O-N 3.27Å; V963-E965 VanDerWaalsContact C-N 3.33Å; V963-E965 PolarHBondContact O-N 3.45Å; E965-H968 PolarHBondContact O-N 3.44Å; E965-I969 HydrophobicContact CG-CD1 3.78Å; E965-I969 HydrophobicContact CG-CG1 4.19Å; E965-I969 WeakPolarHBondContact O-CB 3.42Å; E965-I969 VanDerWaalsContact O-CG1 3.28Å; E965-I969 WeakPolarHBondContact O-CG1 3.27Å; E965-I969 PolarHBondContact O-N 2.64Å |
| 966 | L | 86.9 | Confident | 78.7 | Confident | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.016 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 174.1 | -76.2 | 166.2 | 0 | 0 | 0 | 112.2 | L937 F942 L947 N948 L951 V962 V963 H968 I969 N970 | L937-L966 HydrophobicContact CD2-CD1 3.9Å; F942-L966 HydrophobicContact CB-CD1 3.98Å; F942-L966 HydrophobicContact CD1-CB 3.79Å; F942-L966 HydrophobicContact CD1-CD1 3.89Å; F942-L966 HydrophobicContact CD1-CD2 4.41Å; F942-L966 HydrophobicContact CD1-CG 4.25Å; F942-L966 HydrophobicContact CD2-CD1 4.1Å; F942-L966 HydrophobicContact CE1-CB 3.67Å; F942-L966 HydrophobicContact CE1-CD1 4.4Å; F942-L966 HydrophobicContact CG-CB 4.46Å; F942-L966 HydrophobicContact CG-CD1 3.72Å; F942-L966 HydrophobicContact CZ-CB 4.25Å; L947-L966 HydrophobicContact CD2-CD2 3.62Å; L947-L966 HydrophobicContact CG-CD2 3.84Å; N948-L966 WeakPolarHBondContact OD1-CD1 3.5Å; L951-L966 HydrophobicContact CD1-CD2 3.56Å; L951-L966 HydrophobicContact CD1-CG 3.62Å; V962-L966 HydrophobicContact CG1-CD1 3.66Å; V962-L966 HydrophobicContact CG1-CG 4.26Å; V962-L966 WeakPolarHBondContact O-CB 3.25Å; V962-L966 VanDerWaalsContact O-CG 3.31Å; V962-L966 WeakPolarHBondContact O-CG 3.23Å; V962-L966 PolarHBondContact O-N 3.04Å; V963-L966 PolarHBondContact O-N 3.21Å; L966-H968 VanDerWaalsContact C-N 3.29Å; L966-H968 PolarHBondContact O-N 2.8Å; L966-I969 PolarHBondContact O-N 3.18Å; L966-N970 PolarHBondContact O-N 3.09Å; L966-N970 VanDerWaalsContact O-N 3.08Å |
| 967 | L | 83.9 | Confident | 76.9 | Confident | 45 Ų | 45 | 74.7 Ų | 74.7 | 24% | 0.236 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 174.5 | -70.2 | 171.1 | 0 | 0 | 0 | 111.1 | F942 V963 N971 N972 W974 | F942-L967 HydrophobicContact CE1-CD2 4.35Å; F942-L967 HydrophobicContact CZ-CD2 3.95Å; F942-L967 HydrophobicContact CZ-CG 4.17Å; V963-L967 HydrophobicContact CG1-CD1 3.88Å; V963-L967 HydrophobicContact CG1-CG 4.24Å; V963-L967 WeakPolarHBondContact O-CB 3.41Å; V963-L967 VanDerWaalsContact O-CG 3.24Å; V963-L967 WeakPolarHBondContact O-CG 3.47Å; V963-L967 PolarHBondContact O-N 3.08Å; L967-N971 PolarHBondContact O-N 2.98Å; L967-N972 PolarHBondContact O-N 2.91Å; L967-W974 HydrophobicContact CD2-CB 4.35Å; L967-W974 HydrophobicContact CD2-CD2 4.19Å; L967-W974 HydrophobicContact CD2-CG 3.67Å |
| 968 | H | 82.6 | Confident | 75 | Confident | 152 Ų | 152 | 79.6 Ų | 79.6 | 70% | 0.704 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -71.4 | -38.5 | 179.6 | -153.2 | 70.5 | 0 | 0 | 0 | 113 | T964 E965 L966 N970 N971 | T964-H968 PolarHBondContact O-N 3.34Å; E965-H968 PolarHBondContact O-N 3.44Å; L966-H968 VanDerWaalsContact C-N 3.29Å; L966-H968 PolarHBondContact O-N 2.8Å; H968-N970 VanDerWaalsContact C-N 3.33Å; H968-N970 PolarHBondContact O-N 3.22Å; H968-N971 PolarHBondContact O-N 3.31Å |
| 969 | I | 79.4 | Confident | 72.6 | Confident | 80 Ų | 80 | 90.7 Ų | 90.7 | 41% | 0.41 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 176.3 | -74.8 | 169.9 | 0 | 0 | 0 | 111.4 | L947 L951 E965 L966 N971 | L947-I969 HydrophobicContact CD1-CD1 4.28Å; L947-I969 HydrophobicContact CD2-CG2 4.38Å; L951-I969 HydrophobicContact CD1-CD1 4.22Å; E965-I969 HydrophobicContact CG-CD1 3.78Å; E965-I969 HydrophobicContact CG-CG1 4.19Å; E965-I969 WeakPolarHBondContact O-CB 3.42Å; E965-I969 VanDerWaalsContact O-CG1 3.28Å; E965-I969 WeakPolarHBondContact O-CG1 3.27Å; E965-I969 PolarHBondContact O-N 2.64Å; L966-I969 PolarHBondContact O-N 3.18Å; I969-N971 VanDerWaalsContact C-N 3.3Å; I969-N971 PolarHBondContact O-N 3.19Å |
| 970 | N | 67.1 | Low | 71.8 | Confident | 50 Ų | 50 | 93.6 Ų | 93.6 | 27% | 0.267 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 11.4 | 177.3 | -78 | 8.5 | 0 | 0 | 0 | 113.7 | L966 H968 N972 D973 W974 | L966-N970 PolarHBondContact O-N 3.09Å; L966-N970 VanDerWaalsContact O-N 3.08Å; H968-N970 VanDerWaalsContact C-N 3.33Å; H968-N970 PolarHBondContact O-N 3.22Å; N970-N972 PolarHBondContact O-N 2.88Å; N970-N972 VanDerWaalsContact O-N 3.08Å; N970-D973 WeakPolarHBondContact O-CA 3.43Å; N970-D973 WeakPolarHBondContact O-CB 3.3Å; N970-D973 PolarHBondContact O-N 2.83Å; N970-W974 HydrophobicContact CB-CB 4.48Å |
| 971 | N | 65.1 | Low | 70.8 | Confident | 128 Ų | 128 | 91.5 Ų | 91.5 | 68% | 0.684 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 22.8 | -174.5 | -59.7 | -40.5 | 0 | 0 | 0 | 114.9 | L967 H968 I969 D973 | L967-N971 PolarHBondContact O-N 2.98Å; H968-N971 PolarHBondContact O-N 3.31Å; I969-N971 VanDerWaalsContact C-N 3.3Å; I969-N971 PolarHBondContact O-N 3.19Å; N971-D973 VanDerWaalsContact C-N 3.27Å |
| 972 | N | 59.8 | Low | 69.7 | Low | 95 Ų | 95 | 91.3 Ų | 91.3 | 51% | 0.508 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 2.6 | -164.8 | -49.8 | -74.7 | 0 | 0 | 0 | 116.6 | L967 N970 W974 Y975 | L967-N972 PolarHBondContact O-N 2.91Å; N970-N972 PolarHBondContact O-N 2.88Å; N970-N972 VanDerWaalsContact O-N 3.08Å; N972-W974 PolarHBondContact O-N 3.08Å; N972-Y975 VanDerWaalsContact O-CD1 3.25Å; N972-Y975 WeakPolarHBondContact O-CD1 3.31Å; N972-Y975 WeakPolarHBondContact O-CE1 3.46Å |
| 973 | D | 56.7 | Low | 68.5 | Low | 71 Ų | 71 | 96.7 Ų | 96.7 | 38% | 0.38 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -76.5 | 25.4 | 174.1 | -62.1 | -37.3 | 0 | 0 | 0 | 113.6 | N970 N971 Y975 S976 | N970-D973 WeakPolarHBondContact O-CA 3.43Å; N970-D973 WeakPolarHBondContact O-CB 3.3Å; N970-D973 PolarHBondContact O-N 2.83Å; N971-D973 VanDerWaalsContact C-N 3.27Å; D973-Y975 HydrophobicContact CB-CE1 4.46Å; D973-Y975 PolarHBondContact O-N 3.24Å; D973-Y975 PolarHBondContact OD1-OH 3.45Å; D973-S976 VanDerWaalsContact O-CB 3.23Å; D973-S976 WeakPolarHBondContact O-CB 3.38Å; D973-S976 PolarHBondContact O-N 2.71Å; D973-S976 PolarHBondContact O-OG 3.36Å |
| 974 | W | 61.1 | Low | 67.1 | Low | 72 Ų | 72 | 101.1 Ų | 101.1 | 27% | 0.273 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -62.7 | -23.8 | 179.3 | 69.2 | -85.3 | 0 | 0 | 0 | 113.1 | M940 F942 L967 N970 N972 S976 | M940-W974 WeakPolarHBondContact O-CZ3 3.33Å; F942-W974 HydrophobicContact CE1-CB 3.96Å; F942-W974 HydrophobicContact CE1-CG 4.43Å; L967-W974 HydrophobicContact CD2-CB 4.35Å; L967-W974 HydrophobicContact CD2-CD2 4.19Å; L967-W974 HydrophobicContact CD2-CG 3.67Å; N970-W974 HydrophobicContact CB-CB 4.48Å; N972-W974 PolarHBondContact O-N 3.08Å; W974-S976 VanDerWaalsContact C-N 3.26Å; W974-S976 PolarHBondContact O-N 3.45Å |
| 975 | Y | 56.9 | Low | 65.7 | Low | 134 Ų | 134 | 101.5 Ų | 101.5 | 53% | 0.525 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -68.4 | -24 | 174.6 | 57.1 | -91.7 | 0 | 0 | 0 | 112.8 | N972 D973 H977 R978 | N972-Y975 VanDerWaalsContact O-CD1 3.25Å; N972-Y975 WeakPolarHBondContact O-CD1 3.31Å; N972-Y975 WeakPolarHBondContact O-CE1 3.46Å; D973-Y975 HydrophobicContact CB-CE1 4.46Å; D973-Y975 PolarHBondContact O-N 3.24Å; D973-Y975 PolarHBondContact OD1-OH 3.45Å; Y975-H977 PolarHBondContact O-N 3.49Å; Y975-H977 VanDerWaalsContact O-N 3.14Å; Y975-R978 PolarHBondContact O-N 3.24Å |
| 976 | S | 54.9 | Low | 64.1 | Low | 75 Ų | 75 | 105.4 Ų | 105.4 | 52% | 0.524 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -69.8 | -5.3 | -179.4 | -55.3 | 0 | 0 | 0 | 0 | 114.4 | D973 W974 | D973-S976 VanDerWaalsContact O-CB 3.23Å; D973-S976 WeakPolarHBondContact O-CB 3.38Å; D973-S976 PolarHBondContact O-N 2.71Å; D973-S976 PolarHBondContact O-OG 3.36Å; W974-S976 VanDerWaalsContact C-N 3.26Å; W974-S976 PolarHBondContact O-N 3.45Å |
| 977 | H | 53.2 | Low | 62.3 | Low | 127 Ų | 127 | 113.3 Ų | 113.3 | 59% | 0.588 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -119 | 23.4 | -179.5 | -63.5 | -46.6 | 0 | 0 | 0 | 113.4 | Y975 Y979 | Y975-H977 PolarHBondContact O-N 3.49Å; Y975-H977 VanDerWaalsContact O-N 3.14Å; H977-Y979 VanDerWaalsContact C-N 3.3Å; H977-Y979 PolarHBondContact O-N 2.84Å |
| 978 | R | 48.8 | Very low | 60.5 | Low | 146 Ų | 146 | 119 Ų | 119 | 55% | 0.551 | 55% | 0.549 | S | S | * | . | trans | -86.4 | 17 | 177.9 | -83.3 | -170.3 | 160.5 | -159.7 | -6.6 | 115.4 | M940 Y975 | M940-R978 PolarHBondContact O-NH2 2.68Å; Y975-R978 PolarHBondContact O-N 3.24Å | ||
| 979 | Y | 40.3 | Very low | 58.5 | Low | 298 Ų | 298 | 116 Ų | 116 | 100% | 1.169 | 54% | 0.535 | S | S | * | . | trans | -137.4 | 0 | 176.7 | -70.6 | -74.2 | 0 | 0 | 0 | 111 | H977 | H977-Y979 VanDerWaalsContact C-N 3.3Å; H977-Y979 PolarHBondContact O-N 2.84Å |
Retrieved 979 of 979 residues in 259.9 ms
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