| 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 | 28.3 | Very low | 75.6 | Confident | 243 Ų | 243 | 73.2 Ų | 73.2 | 100% | 1.197 | 44% | 0.441 | S | S | * | . | 0 | 98.4 | 0 | -73.1 | 173.1 | 173.9 | 0 | 0 | 105.8 | S3 | M1-S3 PolarHBondContact O-N 3.21Š| |||
| 2 | G | 37.8 | Very low | 76.6 | Confident | 82 Ų | 82 | 73.4 Ų | 73.4 | 85% | 0.845 | 44% | 0.438 | S | S | * | . | trans | -81.3 | 105.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | S | 50.3 | Low | 77 | Confident | 99 Ų | 99 | 68.4 Ų | 68.4 | 69% | 0.692 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 140.7 | 163.1 | 42.1 | 0 | 0 | 0 | 0 | 108.6 | M1 | M1-S3 PolarHBondContact O-N 3.21Š|
| 4 | D | 76.1 | Confident | 77.2 | Confident | 148 Ų | 148 | 67.9 Ų | 67.9 | 79% | 0.791 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 141.8 | 171 | -72.6 | -43.9 | 0 | 0 | 0 | 109.8 | H6 | D4-H6 PolarHBondContact O-N 3.13Å; D4-H6 PolarHBondContact O-ND1 3.15Å |
| 5 | A | 88.3 | Confident | 76.8 | Confident | 37 Ų | 37 | 69.3 Ų | 69.3 | 31% | 0.306 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 129.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | W100 S101 K102 | A5-W100 VanDerWaalsContact C-CZ2 3.45Å; A5-W100 HydrophobicContact CB-CZ2 3.54Å; A5-W100 VanDerWaalsContact O-CH2 3.24Å; A5-W100 WeakPolarHBondContact O-CH2 3.45Å; A5-W100 VanDerWaalsContact O-CZ2 3.28Å; A5-W100 WeakPolarHBondContact O-CZ2 3.33Å; A5-S101 WeakPolarHBondContact CA-OG 3.45Å; A5-K102 HydrophobicContact CB-CB 3.92Å |
| 6 | H | 91.8 | Very high | 76.7 | Confident | 87 Ų | 87 | 74.7 Ų | 74.7 | 40% | 0.403 | 43% | 0.428 | S | S | . | . | trans | -144.4 | 163 | -173.1 | 60.7 | -76 | 0 | 0 | 0 | 110.6 | D4 W100 S101 | D4-H6 PolarHBondContact O-N 3.13Å; D4-H6 PolarHBondContact O-ND1 3.15Å; H6-W100 VanDerWaalsContact C-CZ3 3.49Å; H6-S101 PolarHBondContact N-OG 3.26Å; H6-S101 VanDerWaalsContact O-CB 3.28Å; H6-S101 WeakPolarHBondContact O-CB 3.34Å; H6-S101 PolarHBondContact O-N 2.91Å; H6-S101 PolarHBondContact O-OG 3.17Å | ||
| 7 | P | 91.8 | Very high | 76.6 | Confident | 39 Ų | 39 | 75.8 Ų | 75.8 | 25% | 0.253 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 139.8 | 173 | 31.4 | -34 | 0 | 0 | 0 | 110.5 | F84 W100 | P7-F84 HydrophobicContact CB-CD1 3.58Å; P7-F84 HydrophobicContact CB-CE1 3.96Å; P7-F84 HydrophobicContact CB-CG 4.42Å; P7-W100 HydrophobicContact CB-CE3 4.46Å; P7-W100 HydrophobicContact CB-CZ3 4.47Å |
| 8 | V | 92.6 | Very high | 76.5 | Confident | 24 Ų | 24 | 75.4 Ų | 75.4 | 15% | 0.145 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.6 | -178.2 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | I10 A26 I30 Q98 L99 | V8-I10 HydrophobicContact CG1-CG2 4.44Å; V8-I10 WeakPolarHBondContact O-CD1 3.45Å; V8-I10 PolarHBondContact O-N 3.1Å; V8-A26 HydrophobicContact CG1-CB 3.77Å; V8-I30 HydrophobicContact CB-CD1 3.85Å; V8-I30 HydrophobicContact CG1-CD1 4Å; V8-I30 HydrophobicContact CG2-CD1 4.08Å; V8-Q98 WeakPolarHBondContact O-CA 3.46Å; V8-L99 PolarHBondContact N-O 3.39Å; V8-L99 PolarHBondContact O-N 2.93Å |
| 9 | Q | 91.4 | Very high | 76.7 | Confident | 46 Ų | 46 | 73.2 Ų | 73.2 | 22% | 0.215 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 121.5 | 174.5 | -165.3 | 69.5 | 36.8 | 0 | 0 | 110.1 | V11 T95 I97 | Q9-V11 PolarHBondContact NE2-O 3.21Å; Q9-T95 PolarHBondContact NE2-O 3.22Å; Q9-T95 PolarHBondContact OE1-O 3.44Å; Q9-I97 PolarHBondContact NE2-O 3.36Å |
| 10 | I | 93.2 | Very high | 77.1 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | -33.4 | -179 | 57.3 | -80.8 | 0 | 0 | 0 | 112.3 | V8 L22 N23 L27 I97 L99 | V8-I10 HydrophobicContact CG1-CG2 4.44Å; V8-I10 WeakPolarHBondContact O-CD1 3.45Å; V8-I10 PolarHBondContact O-N 3.1Å; I10-L22 CarbonylContact O-C 3.56Å; I10-L22 WeakPolarHBondContact O-CA 3.43Å; I10-L22 WeakPolarHBondContact O-CD1 3.36Å; I10-N23 PolarHBondContact O-N 3.04Å; I10-L27 HydrophobicContact CB-CD1 4.48Å; I10-L27 HydrophobicContact CG2-CB 3.99Å; I10-L27 HydrophobicContact CG2-CD1 3.98Å; I10-I97 VanDerWaalsContact CD1-C 3.42Å; I10-I97 HydrophobicContact CD1-CB 4.28Å; I10-I97 HydrophobicContact CD1-CG2 3.98Å; I10-I97 WeakPolarHBondContact CD1-O 3.18Å; I10-I97 HydrophobicContact CG1-CB 4.28Å; I10-I97 HydrophobicContact CG1-CG2 4.21Å; I10-I97 PolarHBondContact N-O 3.36Å; I10-L99 HydrophobicContact CD1-CB 3.72Å; I10-L99 HydrophobicContact CD1-CD1 4.31Å; I10-L99 HydrophobicContact CD1-CD2 4.38Å; I10-L99 HydrophobicContact CD1-CG 3.44Å; I10-L99 VanDerWaalsContact CD1-CG 3.44Å; I10-L99 HydrophobicContact CG1-CG 4.11Å |
| 11 | V | 90.4 | Very high | 77.6 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 117.2 | 171.5 | 177.2 | 0 | 0 | 0 | 0 | 107.7 | Q9 F20 T21 L22 G96 I97 I137 I307 | Q9-V11 PolarHBondContact NE2-O 3.21Å; V11-F20 HydrophobicContact CG1-CD1 4.1Å; V11-T21 CarbonylContact C-O 3.56Å; V11-T21 WeakPolarHBondContact CA-O 3.25Å; V11-L22 HydrophobicContact CG2-CD1 3.99Å; V11-G96 VanDerWaalsContact O-CA 3.31Å; V11-G96 WeakPolarHBondContact O-CA 3.48Å; V11-I97 HydrophobicContact CB-CB 3.95Å; V11-I97 HydrophobicContact CB-CD1 4.32Å; V11-I97 HydrophobicContact CB-CG1 3.99Å; V11-I97 HydrophobicContact CG2-CB 4.18Å; V11-I97 HydrophobicContact CG2-CD1 4.05Å; V11-I97 HydrophobicContact CG2-CG1 4.22Å; V11-I97 PolarHBondContact N-O 3.46Å; V11-I97 PolarHBondContact O-N 3.5Å; V11-I97 VanDerWaalsContact O-N 3.07Å; V11-I137 HydrophobicContact CG1-CD1 4.07Å; V11-I307 HydrophobicContact CG1-CD1 3.93Å; V11-I307 HydrophobicContact CG2-CD1 4.34Å |
| 12 | D | 86.8 | Confident | 80.7 | Confident | 76 Ų | 76 | 59 Ų | 59 | 41% | 0.406 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 149.2 | 174.3 | -150.9 | -20.4 | 0 | 0 | 0 | 110.4 | F20 T21 | D12-F20 WeakPolarHBondContact O-CA 3.43Å; D12-T21 PolarHBondContact N-O 2.94Å; D12-T21 PolarHBondContact O-N 3.43Å |
| 13 | V | 82.2 | Confident | 83.3 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 5% | 0.048 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 107.9 | 177.9 | -172.3 | 0 | 0 | 0 | 0 | 107 | K15 F20 I137 | V13-K15 PolarHBondContact O-N 3.23Å; V13-F20 HydrophobicContact CB-CE1 4.37Å; V13-F20 HydrophobicContact CG1-CE1 4.09Å; V13-F20 HydrophobicContact CG1-CZ 4.22Å; V13-F20 HydrophobicContact CG2-CD1 3.93Å; V13-F20 HydrophobicContact CG2-CE1 3.54Å; V13-F20 HydrophobicContact CG2-CZ 4.43Å; V13-I137 HydrophobicContact CG2-CD1 4.16Å |
| 14 | N | 80.1 | Confident | 85.4 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 117.9 | 173.9 | -178.2 | 2 | 0 | 0 | 0 | 108.6 | D16 D17 H18 S19 | N14-D16 VanDerWaalsContact C-N 3.32Å; N14-D16 PolarHBondContact OD1-N 3.48Å; N14-D16 VanDerWaalsContact OD1-N 3.17Å; N14-D17 WeakPolarHBondContact CB-OD1 3.46Å; N14-D17 PolarHBondContact ND2-OD1 3.43Å; N14-D17 PolarHBondContact ND2-OD2 3.31Å; N14-D17 VanDerWaalsContact ND2-OD2 3.08Å; N14-H18 WeakPolarHBondContact O-CA 3.27Å; N14-H18 PolarHBondContact O-N 3.04Å; N14-S19 PolarHBondContact N-O 3.16Å; N14-S19 PolarHBondContact O-N 3.25Å |
| 15 | K | 71.5 | Confident | 86.3 | Confident | 89 Ų | 89 | 56.9 Ų | 56.9 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -20.5 | -174.1 | -63.4 | -177 | 179.7 | -178.8 | 0 | 113.3 | V13 | V13-K15 PolarHBondContact O-N 3.23Š|
| 16 | D | 74.3 | Confident | 86.6 | Confident | 155 Ų | 155 | 55.7 Ų | 55.7 | 83% | 0.829 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -34.2 | -176.5 | -66.4 | -28 | 0 | 0 | 0 | 112 | N14 | N14-D16 VanDerWaalsContact C-N 3.32Å; N14-D16 PolarHBondContact OD1-N 3.48Å; N14-D16 VanDerWaalsContact OD1-N 3.17Å |
| 17 | D | 76 | Confident | 86.8 | Confident | 94 Ų | 94 | 51.5 Ų | 51.5 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 3.5 | -177.3 | 63.9 | 10.7 | 0 | 0 | 0 | 113.6 | N14 S19 | N14-D17 WeakPolarHBondContact CB-OD1 3.46Å; N14-D17 PolarHBondContact ND2-OD1 3.43Å; N14-D17 PolarHBondContact ND2-OD2 3.31Å; N14-D17 VanDerWaalsContact ND2-OD2 3.08Å; D17-S19 PolarHBondContact O-N 3.08Å; D17-S19 VanDerWaalsContact O-N 3.17Å; D17-S19 WeakPolarHBondContact OD1-CB 3.42Å; D17-S19 PolarHBondContact OD1-N 3.5Å; D17-S19 PolarHBondContact OD1-OG 3.44Å; D17-S19 PolarHBondContact OD2-OG 2.93Å |
| 18 | H | 73.8 | Confident | 86.9 | Confident | 68 Ų | 68 | 50.9 Ų | 50.9 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 32.4 | -175.6 | -60.7 | -79.3 | 0 | 0 | 0 | 113.3 | N14 D133 | N14-H18 WeakPolarHBondContact O-CA 3.27Å; N14-H18 PolarHBondContact O-N 3.04Å; H18-D133 IonicContact CE1-OD2 3.84Å; H18-D133 IonicContact CG-OD2 2.81Å; H18-D133 IonicContact ND1-OD2 3.28Å; H18-D133 PolarHBondContact ND1-OD2 3.26Å |
| 19 | S | 80.8 | Confident | 87 | Confident | 34 Ų | 34 | 57 Ų | 57 | 24% | 0.238 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 151.9 | 178.8 | 72.2 | 0 | 0 | 0 | 0 | 112.6 | N14 D17 | N14-S19 PolarHBondContact N-O 3.16Å; N14-S19 PolarHBondContact O-N 3.25Å; D17-S19 PolarHBondContact O-N 3.08Å; D17-S19 VanDerWaalsContact O-N 3.17Å; D17-S19 WeakPolarHBondContact OD1-CB 3.42Å; D17-S19 PolarHBondContact OD1-N 3.5Å; D17-S19 PolarHBondContact OD1-OG 3.44Å; D17-S19 PolarHBondContact OD2-OG 2.93Å |
| 20 | F | 84.8 | Confident | 87.2 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.6 | 179.8 | -66.8 | -86.7 | 0 | 0 | 0 | 110.9 | V11 D12 V13 D133 T136 I137 I307 Q311 | V11-F20 HydrophobicContact CG1-CD1 4.1Å; D12-F20 WeakPolarHBondContact O-CA 3.43Å; V13-F20 HydrophobicContact CB-CE1 4.37Å; V13-F20 HydrophobicContact CG1-CE1 4.09Å; V13-F20 HydrophobicContact CG1-CZ 4.22Å; V13-F20 HydrophobicContact CG2-CD1 3.93Å; V13-F20 HydrophobicContact CG2-CE1 3.54Å; V13-F20 HydrophobicContact CG2-CZ 4.43Å; F20-D133 HydrophobicContact CZ-CB 3.88Å; F20-T136 HydrophobicContact CD1-CG2 3.94Å; F20-T136 HydrophobicContact CD2-CG2 3.84Å; F20-T136 HydrophobicContact CE1-CG2 3.84Å; F20-T136 HydrophobicContact CE2-CG2 3.76Å; F20-T136 HydrophobicContact CG-CG2 3.97Å; F20-T136 HydrophobicContact CZ-CG2 3.79Å; F20-I137 HydrophobicContact CD1-CD1 4.05Å; F20-I137 HydrophobicContact CE1-CD1 3.69Å; F20-I137 HydrophobicContact CE1-CG1 3.86Å; F20-I307 HydrophobicContact CB-CD1 3.74Å; F20-I307 HydrophobicContact CB-CG1 4.35Å; F20-Q311 VanDerWaalsContact O-CG 3.32Å; F20-Q311 WeakPolarHBondContact O-CG 3.49Å; F20-Q311 PolarHBondContact O-NE2 2.55Å |
| 21 | T | 88.1 | Confident | 87.4 | Confident | 68 Ų | 68 | 55.3 Ų | 55.3 | 42% | 0.417 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.5 | 176.8 | 62.3 | 0 | 0 | 0 | 0 | 111 | V11 D12 | V11-T21 CarbonylContact C-O 3.56Å; V11-T21 WeakPolarHBondContact CA-O 3.25Å; D12-T21 PolarHBondContact N-O 2.94Å; D12-T21 PolarHBondContact O-N 3.43Å |
| 22 | L | 91.6 | Very high | 87.6 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 12% | 0.12 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 118.4 | 175.2 | -179.5 | 74 | 0 | 0 | 0 | 109.4 | I10 V11 T24 L27 F303 K304 I307 | I10-L22 CarbonylContact O-C 3.56Å; I10-L22 WeakPolarHBondContact O-CA 3.43Å; I10-L22 WeakPolarHBondContact O-CD1 3.36Å; V11-L22 HydrophobicContact CG2-CD1 3.99Å; L22-T24 PolarHBondContact O-N 3.33Å; L22-T24 PolarHBondContact O-OG1 3.27Å; L22-L27 HydrophobicContact CD1-CD2 3.97Å; L22-F303 HydrophobicContact CD1-CB 4.23Å; L22-F303 HydrophobicContact CD1-CD1 4.13Å; L22-F303 HydrophobicContact CD2-CB 4.16Å; L22-K304 HydrophobicContact CD2-CB 4.46Å; L22-K304 HydrophobicContact CD2-CG 3.91Å; L22-I307 HydrophobicContact CB-CB 4.19Å; L22-I307 HydrophobicContact CB-CG1 4.02Å; L22-I307 HydrophobicContact CB-CG2 3.81Å; L22-I307 HydrophobicContact CD2-CG2 4.06Å |
| 23 | N | 93.9 | Very high | 87.9 | Confident | 76 Ų | 76 | 58.4 Ų | 58.4 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | trans | -73.7 | 82.4 | 167.8 | -168.9 | -20.6 | 0 | 0 | 0 | 109.7 | I10 E25 A26 L27 | I10-N23 PolarHBondContact O-N 3.04Å; N23-E25 VanDerWaalsContact C-N 3.28Å; N23-E25 PolarHBondContact O-N 3.42Å; N23-A26 HydrophobicContact CB-CB 4.13Å; N23-A26 VanDerWaalsContact CG-CB 3.4Å; N23-A26 PolarHBondContact O-N 2.64Å; N23-A26 WeakPolarHBondContact OD1-CB 3.33Å; N23-A26 PolarHBondContact OD1-N 3.48Å; N23-L27 WeakPolarHBondContact O-CB 3.28Å; N23-L27 PolarHBondContact O-N 3.41Å | ||
| 24 | T | 93.9 | Very high | 88.3 | Confident | 57 Ų | 57 | 62.9 Ų | 62.9 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.2 | -35.1 | -175.3 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | L22 A28 K304 | L22-T24 PolarHBondContact O-N 3.33Å; L22-T24 PolarHBondContact O-OG1 3.27Å; T24-A28 WeakPolarHBondContact O-CB 3.48Å; T24-A28 PolarHBondContact O-N 3.06Å; T24-K304 VanDerWaalsContact CG2-CE 3.48Å |
| 25 | E | 94.9 | Very high | 88.9 | Confident | 150 Ų | 150 | 62.8 Ų | 62.8 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.5 | -48.4 | 178.6 | -65.6 | -177.5 | -177.7 | 0 | 0 | 111.3 | N23 A28 Q29 | N23-E25 VanDerWaalsContact C-N 3.28Å; N23-E25 PolarHBondContact O-N 3.42Å; E25-A28 PolarHBondContact O-N 2.92Å; E25-Q29 WeakPolarHBondContact O-CG 3.42Å; E25-Q29 PolarHBondContact O-N 3.01Å |
| 26 | A | 94.6 | Very high | 90 | Very high | 12 Ų | 12 | 58.9 Ų | 58.9 | 10% | 0.099 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | V8 N23 A28 Q29 I30 | V8-A26 HydrophobicContact CG1-CB 3.77Å; N23-A26 HydrophobicContact CB-CB 4.13Å; N23-A26 VanDerWaalsContact CG-CB 3.4Å; N23-A26 PolarHBondContact O-N 2.64Å; N23-A26 WeakPolarHBondContact OD1-CB 3.33Å; N23-A26 PolarHBondContact OD1-N 3.48Å; A26-A28 VanDerWaalsContact C-N 3.34Å; A26-A28 PolarHBondContact O-N 2.99Å; A26-Q29 PolarHBondContact O-N 3.45Å; A26-I30 WeakPolarHBondContact O-CG1 3.3Å; A26-I30 PolarHBondContact O-N 3.39Å |
| 27 | L | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 176.8 | -174.4 | 61 | 0 | 0 | 0 | 111.8 | I10 L22 N23 I30 L31 L99 L300 F303 | I10-L27 HydrophobicContact CB-CD1 4.48Å; I10-L27 HydrophobicContact CG2-CB 3.99Å; I10-L27 HydrophobicContact CG2-CD1 3.98Å; L22-L27 HydrophobicContact CD1-CD2 3.97Å; N23-L27 WeakPolarHBondContact O-CB 3.28Å; N23-L27 PolarHBondContact O-N 3.41Å; L27-I30 PolarHBondContact O-N 2.94Å; L27-L31 HydrophobicContact CD1-CD1 3.54Å; L27-L31 HydrophobicContact CD1-CG 3.92Å; L27-L31 HydrophobicContact CD2-CD1 4.45Å; L27-L31 HydrophobicContact CG-CD1 3.87Å; L27-L31 HydrophobicContact CG-CG 4.4Å; L27-L31 WeakPolarHBondContact O-CB 3.45Å; L27-L31 PolarHBondContact O-N 3.47Å; L27-L99 HydrophobicContact CD1-CD1 3.58Å; L27-L300 HydrophobicContact CB-CD1 4.12Å; L27-L300 HydrophobicContact CD2-CD1 3.58Å; L27-L300 HydrophobicContact CG-CD1 3.7Å; L27-F303 HydrophobicContact CD2-CB 3.59Å; L27-F303 HydrophobicContact CD2-CD1 4.33Å; L27-F303 HydrophobicContact CD2-CD2 3.82Å; L27-F303 HydrophobicContact CD2-CG 3.66Å |
| 28 | A | 95.3 | Very high | 91.8 | Very high | 25 Ų | 25 | 53.4 Ų | 53.4 | 21% | 0.207 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T24 E25 A26 I30 L31 L32 L300 | T24-A28 WeakPolarHBondContact O-CB 3.48Å; T24-A28 PolarHBondContact O-N 3.06Å; E25-A28 PolarHBondContact O-N 2.92Å; A26-A28 VanDerWaalsContact C-N 3.34Å; A26-A28 PolarHBondContact O-N 2.99Å; A28-I30 VanDerWaalsContact C-N 3.25Å; A28-I30 PolarHBondContact O-N 3.36Å; A28-L31 PolarHBondContact O-N 3.23Å; A28-L32 HydrophobicContact CB-CD1 3.93Å; A28-L32 HydrophobicContact CB-CG 4.29Å; A28-L32 WeakPolarHBondContact O-CA 3.38Å; A28-L32 WeakPolarHBondContact O-CB 3.3Å; A28-L32 PolarHBondContact O-N 3.09Å; A28-L300 HydrophobicContact CB-CD2 4.14Å |
| 29 | Q | 94.9 | Very high | 92.8 | Very high | 152 Ų | 152 | 52.2 Ų | 52.2 | 71% | 0.71 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -59.6 | -36.5 | 175.5 | -74.4 | 175.2 | 11.7 | 0 | 0 | 112.4 | E25 A26 | E25-Q29 WeakPolarHBondContact O-CG 3.42Å; E25-Q29 PolarHBondContact O-N 3.01Å; A26-Q29 PolarHBondContact O-N 3.45Å |
| 30 | I | 95 | Very high | 93.6 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -77.5 | -49.3 | 178.9 | -61.5 | 170.9 | 0 | 0 | 0 | 111.2 | V8 A26 L27 A28 L99 V103 | V8-I30 HydrophobicContact CB-CD1 3.85Å; V8-I30 HydrophobicContact CG1-CD1 4Å; V8-I30 HydrophobicContact CG2-CD1 4.08Å; A26-I30 WeakPolarHBondContact O-CG1 3.3Å; A26-I30 PolarHBondContact O-N 3.39Å; L27-I30 PolarHBondContact O-N 2.94Å; A28-I30 VanDerWaalsContact C-N 3.25Å; A28-I30 PolarHBondContact O-N 3.36Å; I30-L99 HydrophobicContact CD1-CB 4.26Å; I30-V103 HydrophobicContact CG2-CG2 3.47Å; I30-V103 VanDerWaalsContact CG2-CG2 3.47Å |
| 31 | L | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -89.8 | -22 | -168.7 | -64.5 | -175.6 | 0 | 0 | 0 | 114.5 | L27 A28 R37 V117 C296 L299 L300 | L27-L31 HydrophobicContact CD1-CD1 3.54Å; L27-L31 HydrophobicContact CD1-CG 3.92Å; L27-L31 HydrophobicContact CD2-CD1 4.45Å; L27-L31 HydrophobicContact CG-CD1 3.87Å; L27-L31 HydrophobicContact CG-CG 4.4Å; L27-L31 WeakPolarHBondContact O-CB 3.45Å; L27-L31 PolarHBondContact O-N 3.47Å; A28-L31 PolarHBondContact O-N 3.23Å; L31-R37 WeakPolarHBondContact O-CA 3.39Å; L31-V117 HydrophobicContact CD2-CG2 4.19Å; L31-C296 HydrophobicContact CB-CB 4.28Å; L31-C296 HydrophobicContact CD2-CB 4.22Å; L31-C296 VanDerWaalsContact O-CB 3.29Å; L31-C296 WeakPolarHBondContact O-CB 3.12Å; L31-L299 HydrophobicContact CD1-CB 4.22Å; L31-L299 HydrophobicContact CD1-CD2 4.05Å; L31-L299 HydrophobicContact CD1-CG 4.19Å; L31-L299 HydrophobicContact CD2-CD2 4.35Å; L31-L300 HydrophobicContact CD1-CB 4.24Å |
| 32 | L | 94.9 | Very high | 94.6 | Very high | 64 Ų | 64 | 50.7 Ų | 50.7 | 34% | 0.335 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -99.2 | 8.6 | 179.6 | -54.6 | -176 | 0 | 0 | 0 | 113.4 | A28 R297 L300 | A28-L32 HydrophobicContact CB-CD1 3.93Å; A28-L32 HydrophobicContact CB-CG 4.29Å; A28-L32 WeakPolarHBondContact O-CA 3.38Å; A28-L32 WeakPolarHBondContact O-CB 3.3Å; A28-L32 PolarHBondContact O-N 3.09Å; L32-R297 HydrophobicContact CD2-CB 4.02Å; L32-R297 HydrophobicContact CD2-CG 3.92Å; L32-L300 HydrophobicContact CD1-CD2 3.71Å; L32-L300 HydrophobicContact CD2-CD2 4Å; L32-L300 HydrophobicContact CG-CD2 3.88Å |
| 33 | D | 93.9 | Very high | 94.9 | Very high | 78 Ų | 78 | 49.6 Ų | 49.6 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | trans | -53.9 | 127.4 | 170.9 | -177.3 | -48 | 0 | 0 | 0 | 109.5 | A35 V36 R37 | D33-A35 PolarHBondContact O-N 3.39Å; D33-A35 VanDerWaalsContact OD1-CB 3.27Å; D33-A35 WeakPolarHBondContact OD1-CB 3.48Å; D33-A35 PolarHBondContact OD1-N 2.86Å; D33-V36 HydrophobicContact CB-CG2 4.15Å; D33-V36 PolarHBondContact O-N 2.87Å; D33-R37 WeakPolarHBondContact O-CB 3.2Å; D33-R37 PolarHBondContact O-N 3.33Å | ||
| 34 | P | 90.8 | Very high | 95.1 | Very high | 101 Ų | 101 | 46.1 Ų | 46.1 | 66% | 0.656 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -27.9 | -178.8 | -28.2 | 35.1 | 0 | 0 | 0 | 114.8 | ||
| 35 | A | 92 | Very high | 95.2 | Very high | 60 Ų | 60 | 43.4 Ų | 43.4 | 50% | 0.496 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -21.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D33 K39 | D33-A35 PolarHBondContact O-N 3.39Å; D33-A35 VanDerWaalsContact OD1-CB 3.27Å; D33-A35 WeakPolarHBondContact OD1-CB 3.48Å; D33-A35 PolarHBondContact OD1-N 2.86Å; A35-K39 WeakPolarHBondContact O-CE 3.38Å; A35-K39 PolarHBondContact O-NZ 3.32Å |
| 36 | V | 94.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131 | -17.4 | -174.5 | -57 | 0 | 0 | 0 | 0 | 114.8 | D33 D38 K39 V103 A115 C296 | D33-V36 HydrophobicContact CB-CG2 4.15Å; D33-V36 PolarHBondContact O-N 2.87Å; V36-D38 PolarHBondContact O-N 3.45Å; V36-K39 WeakPolarHBondContact O-CB 3.44Å; V36-K39 PolarHBondContact O-N 3.39Å; V36-V103 HydrophobicContact CB-CG1 4.23Å; V36-V103 HydrophobicContact CG1-CB 4.19Å; V36-V103 HydrophobicContact CG1-CG1 4.04Å; V36-V103 HydrophobicContact CG2-CB 4.21Å; V36-V103 HydrophobicContact CG2-CG1 4.24Å; V36-V103 HydrophobicContact CG2-CG2 4.3Å; V36-A115 HydrophobicContact CB-CB 4.29Å; V36-C296 PolarHBondContact O-SG 2.99Å |
| 37 | R | 94.1 | Very high | 95 | Very high | 64 Ų | 64 | 35.7 Ų | 35.7 | 24% | 0.242 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -32.4 | -170.9 | 66.9 | -180 | -175.5 | 169.5 | -2.8 | 115.5 | L31 D33 R297 D339 | L31-R37 WeakPolarHBondContact O-CA 3.39Å; D33-R37 WeakPolarHBondContact O-CB 3.2Å; D33-R37 PolarHBondContact O-N 3.33Å; R37-R297 WeakPolarHBondContact O-CB 3.14Å; R37-R297 PolarHBondContact O-N 3.28Å; R37-R297 VanDerWaalsContact O-N 3.08Å; R37-D339 IonicContact CZ-OD1 2.95Å; R37-D339 IonicContact NH1-OD1 3.42Å; R37-D339 IonicContact NH2-OD1 2.76Å |
| 38 | D | 93.2 | Very high | 94.5 | Very high | 70 Ų | 70 | 35.8 Ų | 35.8 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -1.5 | -177.6 | -53.3 | -48.8 | 0 | 0 | 0 | 113.2 | V36 R297 K343 | V36-D38 PolarHBondContact O-N 3.45Å; D38-R297 IonicContact OD1-CZ 3.99Å; D38-R297 IonicContact OD1-NE 3.87Å; D38-R297 IonicContact OD1-NH2 2.78Å; D38-R297 PolarHBondContact OD1-NH2 2.92Å; D38-K343 VanDerWaalsContact CG-NZ 3.28Å; D38-K343 IonicContact OD1-NZ 3.27Å; D38-K343 PolarHBondContact OD1-NZ 3.12Å; D38-K343 IonicContact OD2-NZ 2.94Å; D38-K343 PolarHBondContact OD2-NZ 2.91Å |
| 39 | K | 95.6 | Very high | 93.7 | Very high | 42 Ų | 42 | 36 Ų | 36 | 18% | 0.183 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -81.1 | 145.7 | 177.6 | -61.4 | -175.2 | -174.4 | 175.3 | 0 | 110.5 | A35 V36 V41 T105 E113 A115 T295 C296 | A35-K39 WeakPolarHBondContact O-CE 3.38Å; A35-K39 PolarHBondContact O-NZ 3.32Å; V36-K39 WeakPolarHBondContact O-CB 3.44Å; V36-K39 PolarHBondContact O-N 3.39Å; K39-V41 PolarHBondContact O-N 3.07Å; K39-T105 HydrophobicContact CD-CG2 4.21Å; K39-T105 PolarHBondContact NZ-OG1 2.55Å; K39-E113 HydrophobicContact CD-CG 4.36Å; K39-E113 WeakPolarHBondContact CE-OE2 3.5Å; K39-E113 VanDerWaalsContact NZ-CD 3.28Å; K39-E113 IonicContact NZ-OE1 2.78Å; K39-E113 IonicContact NZ-OE2 2.99Å; K39-E113 PolarHBondContact NZ-OE2 3.13Å; K39-A115 HydrophobicContact CB-CB 4Å; K39-T295 VanDerWaalsContact O-CA 3.24Å; K39-T295 WeakPolarHBondContact O-CA 3.41Å; K39-C296 PolarHBondContact O-N 3.04Å; K39-C296 VanDerWaalsContact O-N 3.09Å |
| 40 | H | 96.8 | Very high | 92.8 | Very high | 70 Ų | 70 | 30.3 Ų | 30.3 | 32% | 0.324 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 134.1 | 170.1 | -60.6 | -48.4 | 0 | 0 | 0 | 110 | V114 A115 E286 V294 | H40-V114 WeakPolarHBondContact O-CA 3.34Å; H40-A115 PolarHBondContact O-N 3.14Å; H40-E286 HydrophobicContact CB-CB 4.27Å; H40-E286 HydrophobicContact CB-CG 3.85Å; H40-V294 WeakPolarHBondContact CA-O 3.24Å |
| 41 | V | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 141.2 | -171.9 | 72 | 0 | 0 | 0 | 0 | 111 | K39 V43 A115 V117 E286 K287 V294 L299 | K39-V41 PolarHBondContact O-N 3.07Å; V41-V43 HydrophobicContact CG1-CG2 4.15Å; V41-V43 HydrophobicContact CG2-CG2 3.76Å; V41-A115 CarbonylContact C-O 3.58Å; V41-A115 VanDerWaalsContact CA-O 3.3Å; V41-A115 WeakPolarHBondContact CA-O 3.47Å; V41-V117 HydrophobicContact CG2-CB 4.44Å; V41-V117 HydrophobicContact CG2-CG2 3.74Å; V41-E286 CarbonylContact O-C 3.59Å; V41-E286 WeakPolarHBondContact O-CA 3.45Å; V41-K287 HydrophobicContact CG1-CB 4.04Å; V41-K287 PolarHBondContact O-N 3.29Å; V41-V294 HydrophobicContact CG1-CB 4.46Å; V41-V294 HydrophobicContact CG1-CG1 4.31Å; V41-V294 PolarHBondContact N-O 3.46Å; V41-L299 HydrophobicContact CG1-CB 4.2Å; V41-L299 HydrophobicContact CG1-CD2 4.04Å; V41-L299 HydrophobicContact CG2-CD2 4.04Å |
| 42 | V | 97.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123 | 169.9 | 177.2 | 0 | 0 | 0 | 0 | 105.7 | V114 A115 V116 V117 L284 A285 E286 | V42-V114 HydrophobicContact CG2-CB 4.16Å; V42-V114 HydrophobicContact CG2-CG2 4.07Å; V42-A115 PolarHBondContact N-O 3.31Å; V42-V116 HydrophobicContact CB-CG2 4.15Å; V42-V116 WeakPolarHBondContact O-CA 3.3Å; V42-V117 PolarHBondContact O-N 3.07Å; V42-L284 HydrophobicContact CG1-CB 4.29Å; V42-L284 HydrophobicContact CG1-CD2 4Å; V42-L284 HydrophobicContact CG2-CB 4.05Å; V42-A285 WeakPolarHBondContact CG1-O 3.46Å; V42-E286 HydrophobicContact CG2-CG 4.33Å |
| 43 | V | 97.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 111.9 | -174.1 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | V41 V117 M119 S146 V147 L299 | V41-V43 HydrophobicContact CG1-CG2 4.15Å; V41-V43 HydrophobicContact CG2-CG2 3.76Å; V43-V117 HydrophobicContact CG2-CB 4.38Å; V43-M119 HydrophobicContact CG1-CE 3.64Å; V43-S146 PolarHBondContact N-OG 2.83Å; V43-S146 PolarHBondContact O-N 3.23Å; V43-S146 PolarHBondContact O-OG 2.9Å; V43-V147 PolarHBondContact O-N 3.3Å; V43-V147 VanDerWaalsContact O-N 3.12Å; V43-L299 HydrophobicContact CG2-CD1 4.43Å; V43-L299 HydrophobicContact CG2-CD2 3.57Å |
| 44 | L | 97.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 113 | 176.9 | -162.7 | 111.8 | 0 | 0 | 0 | 108.8 | M61 V117 L118 M119 V147 I149 L278 L279 | L44-M61 HydrophobicContact CD2-CE 3.78Å; L44-M61 HydrophobicContact CD2-SD 3.23Å; L44-M61 WeakPolarHBondContact CD2-SD 3.35Å; L44-V117 PolarHBondContact N-O 3.15Å; L44-L118 HydrophobicContact CB-CD2 3.9Å; L44-L118 HydrophobicContact CD2-CD2 4.04Å; L44-M119 PolarHBondContact O-N 3.34Å; L44-V147 HydrophobicContact CD1-CB 3.9Å; L44-V147 HydrophobicContact CD1-CG1 3.95Å; L44-V147 HydrophobicContact CD1-CG2 4.39Å; L44-V147 HydrophobicContact CG-CB 4.47Å; L44-I149 HydrophobicContact CD1-CD1 4.36Å; L44-I149 HydrophobicContact CD2-CD1 3.82Å; L44-I149 HydrophobicContact CG-CD1 4.11Å; L44-L278 HydrophobicContact CD1-CB 4.29Å; L44-L279 HydrophobicContact CD1-CD2 4.27Å; L44-L279 HydrophobicContact CD2-CD2 4.5Å |
| 45 | S | 96.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 138.4 | -179.1 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | S141 V147 Q148 I149 | S45-S141 WeakPolarHBondContact OG-CB 3.43Å; S45-V147 PolarHBondContact N-O 2.99Å; S45-Q148 PolarHBondContact OG-NE2 3.4Å; S45-Q148 PolarHBondContact OG-OE1 2.97Å; S45-I149 WeakPolarHBondContact O-CB 3.46Å; S45-I149 PolarHBondContact O-N 2.99Å |
| 46 | V | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 113.9 | 169.3 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | K54 L57 L58 M119 T121 I149 N151 | V46-K54 HydrophobicContact CG1-CB 3.83Å; V46-K54 HydrophobicContact CG1-CD 4.09Å; V46-K54 HydrophobicContact CG1-CG 3.86Å; V46-L57 HydrophobicContact CG2-CD2 4.46Å; V46-L58 HydrophobicContact CB-CD1 4.23Å; V46-L58 HydrophobicContact CB-CD2 4.43Å; V46-L58 HydrophobicContact CB-CG 4.24Å; V46-L58 HydrophobicContact CG2-CD1 4.29Å; V46-L58 HydrophobicContact CG2-CD2 3.65Å; V46-L58 HydrophobicContact CG2-CG 3.8Å; V46-M119 PolarHBondContact N-O 3.02Å; V46-M119 VanDerWaalsContact N-O 3.12Å; V46-T121 PolarHBondContact O-N 3.3Å; V46-T121 PolarHBondContact O-OG1 3.46Å; V46-I149 HydrophobicContact CB-CB 4.49Å; V46-I149 HydrophobicContact CG1-CB 4.48Å; V46-I149 HydrophobicContact CG1-CG2 4.26Å; V46-I149 HydrophobicContact CG2-CB 4.09Å; V46-I149 HydrophobicContact CG2-CD1 4.02Å; V46-I149 HydrophobicContact CG2-CG2 4.42Å; V46-N151 HydrophobicContact CG1-CB 3.99Å |
| 47 | A | 90.3 | Very high | 90 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 159.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T121 F138 I149 Y150 N151 | A47-T121 VanDerWaalsContact CA-OG1 3.25Å; A47-T121 WeakPolarHBondContact CA-OG1 3.41Å; A47-T121 HydrophobicContact CB-CG2 4.13Å; A47-T121 VanDerWaalsContact CB-OG1 3.22Å; A47-T121 WeakPolarHBondContact CB-OG1 3.38Å; A47-F138 HydrophobicContact CB-CD2 3.56Å; A47-F138 HydrophobicContact CB-CE2 3.81Å; A47-I149 PolarHBondContact N-O 3.4Å; A47-I149 VanDerWaalsContact O-O 3.07Å; A47-Y150 CarbonylContact O-C 3.56Å; A47-Y150 WeakPolarHBondContact O-CA 3.38Å; A47-N151 PolarHBondContact O-N 2.8Å |
| 48 | G | 85.4 | Confident | 90 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 142.8 | -179.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K54 G123 A124 | G48-K54 PolarHBondContact O-NZ 3.37Å; G48-G123 WeakPolarHBondContact O-CA 3.3Å; G48-A124 PolarHBondContact O-N 2.96Å |
| 49 | A | 79.7 | Confident | 90 | Very high | 30 Ų | 30 | 18.8 Ų | 18.8 | 25% | 0.248 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 153.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K52 K54 | A49-K52 HydrophobicContact CB-CG 3.9Å; A49-K54 PolarHBondContact O-NZ 3.02Å |
| 50 | F | 75.6 | Confident | 89.9 | Confident | 31 Ų | 31 | 16.9 Ų | 16.9 | 14% | 0.136 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 151.2 | 177.4 | -173.1 | -115.9 | 0 | 0 | 0 | 113.3 | K52 E91 P92 A124 D126 | F50-K52 WeakPolarHBondContact O-CG 3.4Å; F50-K52 PolarHBondContact O-N 2.97Å; F50-K52 VanDerWaalsContact O-N 3.15Å; F50-E91 VanDerWaalsContact CE1-O 3.3Å; F50-E91 WeakPolarHBondContact CE1-O 3.37Å; F50-E91 VanDerWaalsContact CZ-C 3.49Å; F50-E91 WeakPolarHBondContact CZ-O 3.46Å; F50-P92 HydrophobicContact CE1-CB 4.46Å; F50-P92 HydrophobicContact CE2-CB 4.38Å; F50-P92 HydrophobicContact CZ-CB 4.25Å; F50-A124 PolarHBondContact N-O 3.44Å; F50-A124 VanDerWaalsContact N-O 3.07Å; F50-D126 HydrophobicContact CD1-CB 4.42Å; F50-D126 HydrophobicContact CG-CB 4.46Å |
| 51 | R | 73.6 | Confident | 89.9 | Confident | 73 Ų | 73 | 13.5 Ų | 13.5 | 28% | 0.275 | 7% | 0.072 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 20.9 | -174 | -63.6 | -48.2 | -173.3 | 164.4 | 4.9 | 117.2 | G53 R87 G88 G89 E91 | R51-G53 PolarHBondContact O-N 2.92Å; R51-R87 PolarHBondContact NH1-O 3.47Å; R51-G88 PolarHBondContact NH1-O 3.18Å; R51-G88 PolarHBondContact NH2-O 3.01Å; R51-G89 WeakPolarHBondContact CD-O 3.35Å; R51-G89 PolarHBondContact NE-O 3.08Å; R51-G89 PolarHBondContact NH2-O 3.27Å; R51-E91 PolarHBondContact NE-O 3.42Å; R51-E91 VanDerWaalsContact NE-O 3.07Å; R51-E91 PolarHBondContact NH2-O 2.97Å |
| 52 | K | 82 | Confident | 89.7 | Confident | 78 Ų | 78 | 13.6 Ų | 13.6 | 34% | 0.339 | 7% | 0.073 | S | C | . | . | S | Bend | trans | -95 | 21.8 | 178.2 | -55.8 | -50.9 | -176.3 | 165.5 | 0 | 115.2 | A49 F50 N151 S153 R191 | A49-K52 HydrophobicContact CB-CG 3.9Å; F50-K52 WeakPolarHBondContact O-CG 3.4Å; F50-K52 PolarHBondContact O-N 2.97Å; F50-K52 VanDerWaalsContact O-N 3.15Å; K52-N151 WeakPolarHBondContact CB-ND2 3.44Å; K52-N151 PolarHBondContact O-ND2 2.91Å; K52-S153 PolarHBondContact NZ-OG 3.25Å; K52-R191 PolarHBondContact O-NH1 3.48Å |
| 53 | G | 83.3 | Confident | 89.5 | Confident | 26 Ų | 26 | 14.3 Ų | 14.3 | 27% | 0.268 | 8% | 0.075 | S | C | . | . | S | Bend | trans | 67.8 | 40.7 | 173 | 0 | 0 | 0 | 0 | 0 | 115.1 | R51 L57 R191 | R51-G53 PolarHBondContact O-N 2.92Å; G53-L57 PolarHBondContact O-N 2.87Å; G53-R191 PolarHBondContact O-NH1 2.87Å |
| 54 | K | 89.5 | Confident | 89.3 | Confident | 13 Ų | 13 | 15.2 Ų | 15.2 | 6% | 0.057 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.8 | -57.6 | 176.9 | -63 | -168.3 | -62.4 | -74.5 | 0 | 111.9 | V46 G48 A49 F56 L57 L58 T121 N151 | V46-K54 HydrophobicContact CG1-CB 3.83Å; V46-K54 HydrophobicContact CG1-CD 4.09Å; V46-K54 HydrophobicContact CG1-CG 3.86Å; G48-K54 PolarHBondContact O-NZ 3.37Å; A49-K54 PolarHBondContact O-NZ 3.02Å; K54-F56 VanDerWaalsContact C-N 3.26Å; K54-F56 PolarHBondContact O-N 3.32Å; K54-L57 WeakPolarHBondContact O-CA 3.2Å; K54-L57 WeakPolarHBondContact O-CB 3.31Å; K54-L57 PolarHBondContact O-N 3.3Å; K54-L58 PolarHBondContact O-N 3.07Å; K54-T121 WeakPolarHBondContact CE-O 3.47Å; K54-N151 HydrophobicContact CG-CB 4.14Å |
| 55 | S | 87.5 | Confident | 89.1 | Confident | 12 Ų | 12 | 15.6 Ų | 15.6 | 8% | 0.084 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.5 | -38.3 | 177.8 | -37.7 | 0 | 0 | 0 | 0 | 111.6 | L57 L58 D59 D120 | S55-L57 VanDerWaalsContact C-N 3.31Å; S55-L57 PolarHBondContact O-N 3.16Å; S55-L58 PolarHBondContact O-N 3.37Å; S55-L58 VanDerWaalsContact O-N 3.16Å; S55-D59 PolarHBondContact O-N 3.4Å; S55-D120 WeakPolarHBondContact CB-OD2 3.43Å; S55-D120 PolarHBondContact OG-OD2 3.46Å |
| 56 | F | 89.8 | Confident | 88.9 | Confident | 11 Ų | 11 | 20.2 Ų | 20.2 | 5% | 0.048 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58 | -38.8 | 172.3 | -178.6 | -107.4 | 0 | 0 | 0 | 113.2 | K54 F60 L81 W86 V250 F256 F267 | K54-F56 VanDerWaalsContact C-N 3.26Å; K54-F56 PolarHBondContact O-N 3.32Å; F56-F60 HydrophobicContact CD1-CE2 4.14Å; F56-F60 HydrophobicContact CD2-CE2 4.4Å; F56-F60 HydrophobicContact CE1-CD2 4.42Å; F56-F60 AromaticContact CE1-CE2 3.61Å; F56-F60 HydrophobicContact CE1-CE2 3.61Å; F56-F60 AromaticContact CE2-CE2 3.86Å; F56-F60 HydrophobicContact CE2-CE2 3.86Å; F56-F60 HydrophobicContact CE2-CZ 4.29Å; F56-F60 AromaticContact CZ-CE2 3.46Å; F56-F60 HydrophobicContact CZ-CE2 3.46Å; F56-F60 VanDerWaalsContact CZ-CE2 3.46Å; F56-F60 AromaticContact CZ-CZ 3.98Å; F56-F60 HydrophobicContact CZ-CZ 3.98Å; F56-F60 VanDerWaalsContact O-CD2 3.23Å; F56-F60 WeakPolarHBondContact O-CD2 3.38Å; F56-L81 HydrophobicContact CD2-CD2 3.56Å; F56-L81 HydrophobicContact CE2-CD2 3.63Å; F56-L81 HydrophobicContact CG-CD2 4.42Å; F56-W86 HydrophobicContact CD2-CD2 4.3Å; F56-W86 HydrophobicContact CD2-CE3 4.28Å; F56-W86 HydrophobicContact CD2-CH2 4.1Å; F56-W86 HydrophobicContact CD2-CZ2 4.1Å; F56-W86 HydrophobicContact CD2-CZ3 4.19Å; F56-W86 HydrophobicContact CE2-CH2 4.25Å; F56-W86 HydrophobicContact CE2-CZ2 4.39Å; F56-V250 HydrophobicContact CZ-CG1 4.22Å; F56-F256 AromaticContact CE2-CE1 3.72Å; F56-F256 HydrophobicContact CE2-CE1 3.72Å; F56-F256 HydrophobicContact CE2-CZ 4.1Å; F56-F256 HydrophobicContact CZ-CE1 4.17Å; F56-F256 HydrophobicContact CZ-CZ 4.29Å; F56-F267 HydrophobicContact CE1-CE1 4.11Å; F56-F267 HydrophobicContact CE1-CZ 4.1Å |
| 57 | L | 92.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.6 | -43 | 174.8 | 178.3 | 71.9 | 0 | 0 | 0 | 111.5 | V46 G53 K54 S55 D59 F60 M61 L189 L271 L274 I275 | V46-L57 HydrophobicContact CG2-CD2 4.46Å; G53-L57 PolarHBondContact O-N 2.87Å; K54-L57 WeakPolarHBondContact O-CA 3.2Å; K54-L57 WeakPolarHBondContact O-CB 3.31Å; K54-L57 PolarHBondContact O-N 3.3Å; S55-L57 VanDerWaalsContact C-N 3.31Å; S55-L57 PolarHBondContact O-N 3.16Å; L57-D59 VanDerWaalsContact C-N 3.25Å; L57-D59 PolarHBondContact O-N 2.98Å; L57-F60 PolarHBondContact O-N 3.44Å; L57-M61 HydrophobicContact CD1-CE 4.32Å; L57-M61 HydrophobicContact CD2-CE 3.87Å; L57-M61 HydrophobicContact CG-CE 3.81Å; L57-M61 PolarHBondContact O-N 3.46Å; L57-L189 HydrophobicContact CD2-CD2 3.29Å; L57-L271 HydrophobicContact CD1-CD1 3.82Å; L57-L274 HydrophobicContact CD1-CD2 4.21Å; L57-I275 HydrophobicContact CD1-CD1 3.93Å |
| 58 | L | 93.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.2 | -33.6 | 178.1 | -77.7 | 168.7 | 0 | 0 | 0 | 112.4 | V46 K54 S55 F60 M61 L62 F84 L118 D120 | V46-L58 HydrophobicContact CB-CD1 4.23Å; V46-L58 HydrophobicContact CB-CD2 4.43Å; V46-L58 HydrophobicContact CB-CG 4.24Å; V46-L58 HydrophobicContact CG2-CD1 4.29Å; V46-L58 HydrophobicContact CG2-CD2 3.65Å; V46-L58 HydrophobicContact CG2-CG 3.8Å; K54-L58 PolarHBondContact O-N 3.07Å; S55-L58 PolarHBondContact O-N 3.37Å; S55-L58 VanDerWaalsContact O-N 3.16Å; L58-F60 VanDerWaalsContact C-N 3.33Å; L58-F60 PolarHBondContact O-N 3.37Å; L58-M61 HydrophobicContact CD2-SD 3.9Å; L58-M61 CarbonylContact O-C 3.59Å; L58-M61 WeakPolarHBondContact O-CA 3.34Å; L58-M61 VanDerWaalsContact O-CB 3.25Å; L58-M61 WeakPolarHBondContact O-CB 3.33Å; L58-M61 PolarHBondContact O-N 3.24Å; L58-M61 VanDerWaalsContact O-N 3.12Å; L58-L62 PolarHBondContact O-N 2.96Å; L58-F84 HydrophobicContact CB-CD2 3.79Å; L58-F84 HydrophobicContact CB-CE2 3.98Å; L58-F84 HydrophobicContact CD1-CD2 4.32Å; L58-F84 HydrophobicContact CD1-CE2 4.26Å; L58-L118 HydrophobicContact CD2-CB 4.36Å; L58-D120 HydrophobicContact CD1-CB 3.37Å; L58-D120 VanDerWaalsContact CD1-CG 3.49Å; L58-D120 WeakPolarHBondContact CD1-OD1 3.16Å |
| 59 | D | 93.4 | Very high | 86.8 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69 | -32.4 | 177.4 | -71.8 | -1.6 | 0 | 0 | 0 | 112.7 | S55 L57 M61 L62 R63 L81 G83 F84 W86 | S55-D59 PolarHBondContact O-N 3.4Å; L57-D59 VanDerWaalsContact C-N 3.25Å; L57-D59 PolarHBondContact O-N 2.98Å; D59-M61 VanDerWaalsContact C-N 3.32Å; D59-L62 WeakPolarHBondContact O-CB 3.19Å; D59-L62 PolarHBondContact O-N 2.97Å; D59-R63 WeakPolarHBondContact O-CB 3.34Å; D59-R63 PolarHBondContact O-N 3.4Å; D59-L81 HydrophobicContact CB-CD1 3.68Å; D59-L81 HydrophobicContact CB-CD2 3.69Å; D59-L81 HydrophobicContact CB-CG 3.47Å; D59-L81 VanDerWaalsContact CB-CG 3.47Å; D59-G83 VanDerWaalsContact OD1-CA 3.3Å; D59-G83 WeakPolarHBondContact OD1-CA 3.17Å; D59-F84 PolarHBondContact OD1-N 3.32Å; D59-W86 PolarHBondContact OD2-NE1 3.09Å |
| 60 | F | 94.4 | Very high | 86.6 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.3 | -34.4 | 169.9 | -74.5 | -63.5 | 0 | 0 | 0 | 112.2 | F56 L57 L58 R63 Y64 W73 L74 L81 L260 L271 | F56-F60 HydrophobicContact CD1-CE2 4.14Å; F56-F60 HydrophobicContact CD2-CE2 4.4Å; F56-F60 HydrophobicContact CE1-CD2 4.42Å; F56-F60 AromaticContact CE1-CE2 3.61Å; F56-F60 HydrophobicContact CE1-CE2 3.61Å; F56-F60 AromaticContact CE2-CE2 3.86Å; F56-F60 HydrophobicContact CE2-CE2 3.86Å; F56-F60 HydrophobicContact CE2-CZ 4.29Å; F56-F60 AromaticContact CZ-CE2 3.46Å; F56-F60 HydrophobicContact CZ-CE2 3.46Å; F56-F60 VanDerWaalsContact CZ-CE2 3.46Å; F56-F60 AromaticContact CZ-CZ 3.98Å; F56-F60 HydrophobicContact CZ-CZ 3.98Å; F56-F60 VanDerWaalsContact O-CD2 3.23Å; F56-F60 WeakPolarHBondContact O-CD2 3.38Å; L57-F60 PolarHBondContact O-N 3.44Å; L58-F60 VanDerWaalsContact C-N 3.33Å; L58-F60 PolarHBondContact O-N 3.37Å; F60-R63 PolarHBondContact O-N 2.89Å; F60-Y64 PolarHBondContact O-N 3.47Å; F60-W73 HydrophobicContact CB-CZ3 4.48Å; F60-L74 HydrophobicContact CD1-CD1 3.93Å; F60-L74 HydrophobicContact CE1-CD1 4.12Å; F60-L81 HydrophobicContact CD1-CD1 3.94Å; F60-L81 HydrophobicContact CD2-CD2 4.11Å; F60-L81 HydrophobicContact CE1-CD1 3.96Å; F60-L81 HydrophobicContact CE1-CD2 4.28Å; F60-L81 HydrophobicContact CE2-CD2 3.81Å; F60-L81 HydrophobicContact CG-CD1 4.33Å; F60-L81 HydrophobicContact CG-CD2 4.5Å; F60-L81 HydrophobicContact CZ-CD1 4.41Å; F60-L81 HydrophobicContact CZ-CD2 3.9Å; F60-L260 HydrophobicContact CE1-CD2 3.73Å; F60-L260 HydrophobicContact CZ-CD2 3.97Å; F60-L271 HydrophobicContact CB-CD1 4.44Å; F60-L271 HydrophobicContact CB-CD2 4.11Å; F60-L271 HydrophobicContact CD1-CD2 3.86Å; F60-L271 HydrophobicContact CD2-CD1 4.47Å; F60-L271 HydrophobicContact CD2-CD2 3.54Å; F60-L271 HydrophobicContact CE1-CD2 4.14Å; F60-L271 HydrophobicContact CE2-CD2 3.8Å; F60-L271 HydrophobicContact CG-CD2 3.57Å; F60-L271 HydrophobicContact CZ-CD2 4.1Å |
| 61 | M | 95.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 171.5 | -67.9 | 171.2 | 177.5 | 0 | 0 | 111 | L44 L57 L58 D59 R63 Y64 M65 L118 I149 I275 L278 L279 | L44-M61 HydrophobicContact CD2-CE 3.78Å; L44-M61 HydrophobicContact CD2-SD 3.23Å; L44-M61 WeakPolarHBondContact CD2-SD 3.35Å; L57-M61 HydrophobicContact CD1-CE 4.32Å; L57-M61 HydrophobicContact CD2-CE 3.87Å; L57-M61 HydrophobicContact CG-CE 3.81Å; L57-M61 PolarHBondContact O-N 3.46Å; L58-M61 HydrophobicContact CD2-SD 3.9Å; L58-M61 CarbonylContact O-C 3.59Å; L58-M61 WeakPolarHBondContact O-CA 3.34Å; L58-M61 VanDerWaalsContact O-CB 3.25Å; L58-M61 WeakPolarHBondContact O-CB 3.33Å; L58-M61 PolarHBondContact O-N 3.24Å; L58-M61 VanDerWaalsContact O-N 3.12Å; D59-M61 VanDerWaalsContact C-N 3.32Å; M61-R63 PolarHBondContact O-N 3.47Å; M61-Y64 PolarHBondContact O-N 3.47Å; M61-M65 VanDerWaalsContact O-CG 3.23Å; M61-M65 WeakPolarHBondContact O-CG 3.28Å; M61-M65 PolarHBondContact O-N 3.44Å; M61-L118 HydrophobicContact CB-CD1 4.02Å; M61-I149 HydrophobicContact CE-CD1 3.66Å; M61-I275 HydrophobicContact CE-CD1 3.77Å; M61-I275 HydrophobicContact CG-CD1 3.66Å; M61-I275 HydrophobicContact CG-CG2 4.31Å; M61-L278 HydrophobicContact CE-CD1 3.72Å; M61-L279 HydrophobicContact CB-CD1 3.62Å; M61-L279 HydrophobicContact CG-CD1 3.8Å |
| 62 | L | 94.3 | Very high | 87.2 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.7 | -48.8 | 173.1 | -74.8 | 172.7 | 0 | 0 | 0 | 111.1 | L58 D59 Y64 M65 H66 F84 W100 F104 L118 | L58-L62 PolarHBondContact O-N 2.96Å; D59-L62 WeakPolarHBondContact O-CB 3.19Å; D59-L62 PolarHBondContact O-N 2.97Å; L62-Y64 VanDerWaalsContact C-N 3.32Å; L62-Y64 PolarHBondContact O-N 2.97Å; L62-M65 PolarHBondContact O-N 3.43Å; L62-M65 VanDerWaalsContact O-N 3.1Å; L62-H66 PolarHBondContact O-CD2 3.18Å; L62-H66 PolarHBondContact O-N 3.36Å; L62-F84 HydrophobicContact CD1-CD2 3.74Å; L62-F84 HydrophobicContact CD1-CE2 3.78Å; L62-F84 HydrophobicContact CG-CE2 4.31Å; L62-W100 HydrophobicContact CD1-CD2 3.88Å; L62-W100 HydrophobicContact CD1-CE3 3.76Å; L62-W100 HydrophobicContact CD1-CH2 4.1Å; L62-W100 HydrophobicContact CD1-CZ2 4.19Å; L62-W100 HydrophobicContact CD1-CZ3 3.86Å; L62-W100 HydrophobicContact CD2-CB 4.24Å; L62-W100 VanDerWaalsContact CD2-CD1 3.49Å; L62-W100 HydrophobicContact CD2-CD2 3.65Å; L62-W100 HydrophobicContact CD2-CE3 4.36Å; L62-W100 HydrophobicContact CD2-CG 3.56Å; L62-W100 HydrophobicContact CD2-CZ2 4.44Å; L62-W100 HydrophobicContact CG-CD2 4.46Å; L62-F104 HydrophobicContact CD2-CE2 3.82Å; L62-F104 HydrophobicContact CD2-CZ 3.86Å; L62-L118 HydrophobicContact CD2-CD1 3.61Å; L62-L118 HydrophobicContact CG-CD1 3.83Å |
| 63 | R | 93.9 | Very high | 87.6 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 6% | 0.06 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 178.6 | -166.6 | -179.3 | -90.4 | 166.2 | -2.2 | 111.5 | D59 F60 M61 H66 R67 W73 L74 E79 E80 | D59-R63 WeakPolarHBondContact O-CB 3.34Å; D59-R63 PolarHBondContact O-N 3.4Å; F60-R63 PolarHBondContact O-N 2.89Å; M61-R63 PolarHBondContact O-N 3.47Å; R63-H66 PolarHBondContact O-N 3.03Å; R63-R67 WeakPolarHBondContact O-CB 3.47Å; R63-R67 WeakPolarHBondContact O-CG 3.41Å; R63-R67 PolarHBondContact O-N 3.48Å; R63-W73 WeakPolarHBondContact CD-O 3.48Å; R63-W73 WeakPolarHBondContact CG-O 3.39Å; R63-L74 WeakPolarHBondContact CD-O 3.18Å; R63-L74 PolarHBondContact NH1-O 2.93Å; R63-E79 IonicContact CZ-OE1 3Å; R63-E79 IonicContact NE-OE1 2.76Å; R63-E79 PolarHBondContact NE-OE1 2.91Å; R63-E79 PolarHBondContact NH2-O 3.3Å; R63-E79 IonicContact NH2-OE1 3.89Å; R63-E79 PolarHBondContact NH2-OE1 3.45Å; R63-E80 VanDerWaalsContact NH2-C 3.3Å; R63-E80 PolarHBondContact NH2-O 3.01Å |
| 64 | Y | 94.2 | Very high | 88 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 173 | 180 | -97.5 | 0 | 0 | 0 | 112.3 | F60 M61 L62 H66 R67 K68 W73 I275 P276 L279 | F60-Y64 PolarHBondContact O-N 3.47Å; M61-Y64 PolarHBondContact O-N 3.47Å; L62-Y64 VanDerWaalsContact C-N 3.32Å; L62-Y64 PolarHBondContact O-N 2.97Å; Y64-H66 VanDerWaalsContact C-N 3.28Å; Y64-H66 PolarHBondContact O-N 3.45Å; Y64-R67 CarbonylContact O-C 3.55Å; Y64-R67 PolarHBondContact O-N 3.49Å; Y64-R67 VanDerWaalsContact O-N 3.1Å; Y64-K68 VanDerWaalsContact O-CG 3.31Å; Y64-K68 WeakPolarHBondContact O-CG 3.2Å; Y64-K68 PolarHBondContact O-N 3.44Å; Y64-W73 HydrophobicContact CD2-CB 4.19Å; Y64-W73 AromaticContact CD2-CD1 3.92Å; Y64-W73 AromaticContact CD2-CD2 3.55Å; Y64-W73 HydrophobicContact CD2-CD2 3.55Å; Y64-W73 AromaticContact CD2-CE2 3.78Å; Y64-W73 AromaticContact CD2-CE3 3.97Å; Y64-W73 HydrophobicContact CD2-CE3 3.97Å; Y64-W73 AromaticContact CD2-CG 3.64Å; Y64-W73 HydrophobicContact CD2-CG 3.64Å; Y64-W73 HydrophobicContact CD2-CZ2 4.37Å; Y64-W73 AromaticContact CD2-NE1 3.99Å; Y64-W73 HydrophobicContact CE2-CD2 4.46Å; Y64-W73 HydrophobicContact CE2-CG 4.28Å; Y64-W73 HydrophobicContact CG-CD2 4.37Å; Y64-W73 HydrophobicContact CG-CE3 4.35Å; Y64-I275 HydrophobicContact CD1-CG2 4.14Å; Y64-I275 HydrophobicContact CD2-CG2 4.22Å; Y64-I275 HydrophobicContact CG-CG2 3.71Å; Y64-P276 HydrophobicContact CD2-CG 4.5Å; Y64-P276 HydrophobicContact CE2-CB 4.16Å; Y64-P276 HydrophobicContact CE2-CG 3.92Å; Y64-L279 HydrophobicContact CD1-CB 3.6Å; Y64-L279 HydrophobicContact CD1-CD1 3.98Å; Y64-L279 HydrophobicContact CD1-CG 4.46Å; Y64-L279 HydrophobicContact CE1-CB 3.53Å |
| 65 | M | 92.7 | Very high | 87.9 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.4 | -31.9 | -179.5 | -68.1 | -63.5 | -69.6 | 0 | 0 | 112.9 | M61 L62 K68 F104 V106 V116 L279 | M61-M65 VanDerWaalsContact O-CG 3.23Å; M61-M65 WeakPolarHBondContact O-CG 3.28Å; M61-M65 PolarHBondContact O-N 3.44Å; L62-M65 PolarHBondContact O-N 3.43Å; L62-M65 VanDerWaalsContact O-N 3.1Å; M65-K68 VanDerWaalsContact CE-NZ 3.33Å; M65-K68 WeakPolarHBondContact SD-CE 3.45Å; M65-K68 PolarHBondContact SD-NZ 2.99Å; M65-K68 VanDerWaalsContact SD-NZ 3.39Å; M65-F104 HydrophobicContact CB-CD1 3.8Å; M65-F104 HydrophobicContact CB-CD2 4.11Å; M65-F104 HydrophobicContact CB-CE1 3.68Å; M65-F104 HydrophobicContact CB-CE2 4.01Å; M65-F104 HydrophobicContact CB-CG 4.01Å; M65-F104 HydrophobicContact CB-CZ 3.79Å; M65-F104 HydrophobicContact CE-CB 3.3Å; M65-F104 HydrophobicContact CE-CD1 4.29Å; M65-F104 HydrophobicContact CE-CD2 3.94Å; M65-F104 HydrophobicContact CE-CG 3.6Å; M65-F104 HydrophobicContact CG-CD2 4.39Å; M65-F104 HydrophobicContact CG-CE2 4.49Å; M65-V106 HydrophobicContact CE-CG2 3.88Å; M65-V116 HydrophobicContact CE-CB 3.69Å; M65-V116 HydrophobicContact CE-CG1 3.73Å; M65-V116 HydrophobicContact CE-CG2 4.02Å; M65-L279 HydrophobicContact CG-CD1 4Å; M65-L279 HydrophobicContact SD-CB 4.06Å; M65-L279 HydrophobicContact SD-CD1 4.08Å; M65-L279 HydrophobicContact SD-CD2 4.12Å; M65-L279 HydrophobicContact SD-CG 4.32Å |
| 66 | H | 90.9 | Very high | 87.9 | Confident | 98 Ų | 98 | 46.8 Ų | 46.8 | 45% | 0.454 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -77.2 | -25.4 | 173.8 | -77.4 | -68.3 | 0 | 0 | 0 | 113.6 | L62 R63 Y64 F104 | L62-H66 PolarHBondContact O-CD2 3.18Å; L62-H66 PolarHBondContact O-N 3.36Å; R63-H66 PolarHBondContact O-N 3.03Å; Y64-H66 VanDerWaalsContact C-N 3.28Å; Y64-H66 PolarHBondContact O-N 3.45Å; H66-F104 AromaticContact CD2-CZ 3.95Å; H66-F104 AromaticContact CE1-CE1 3.65Å; H66-F104 AromaticContact CE1-CZ 3.9Å; H66-F104 AromaticContact ND1-CE1 3.86Å; H66-F104 AromaticContact NE2-CE1 3.73Å; H66-F104 AromaticContact NE2-CZ 3.55Å |
| 67 | R | 88.6 | Confident | 87.8 | Confident | 77 Ų | 77 | 50.5 Ų | 50.5 | 29% | 0.291 | 25% | 0.25 | S | C | . | . | trans | -119 | 25.5 | -171.3 | -62.3 | -174.4 | 176.8 | 174 | 0.2 | 114.5 | R63 Y64 S69 D70 W73 E79 | R63-R67 WeakPolarHBondContact O-CB 3.47Å; R63-R67 WeakPolarHBondContact O-CG 3.41Å; R63-R67 PolarHBondContact O-N 3.48Å; Y64-R67 CarbonylContact O-C 3.55Å; Y64-R67 PolarHBondContact O-N 3.49Å; Y64-R67 VanDerWaalsContact O-N 3.1Å; R67-S69 PolarHBondContact O-N 3.37Å; R67-D70 HydrophobicContact CB-CB 4.3Å; R67-D70 WeakPolarHBondContact O-CB 3.46Å; R67-D70 PolarHBondContact O-N 3.3Å; R67-W73 HydrophobicContact CB-CB 4.1Å; R67-E79 IonicContact CZ-OE1 2.83Å; R67-E79 VanDerWaalsContact CZ-OE1 3.27Å; R67-E79 IonicContact CZ-OE2 2.71Å; R67-E79 IonicContact NH1-OE1 3.68Å; R67-E79 PolarHBondContact NH1-OE1 2.86Å; R67-E79 IonicContact NH1-OE2 3.16Å; R67-E79 PolarHBondContact NH1-OE2 3.41Å; R67-E79 IonicContact NH2-OE1 3.68Å; R67-E79 PolarHBondContact NH2-OE1 3.34Å; R67-E79 IonicContact NH2-OE2 3.65Å; R67-E79 PolarHBondContact NH2-OE2 2.9Å | ||
| 68 | K | 71.4 | Confident | 87.6 | Confident | 68 Ų | 68 | 55 Ų | 55 | 30% | 0.296 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -25 | -173.3 | -69.8 | -171.6 | 175.5 | -158.3 | 0 | 116.1 | Y64 M65 V106 | Y64-K68 VanDerWaalsContact O-CG 3.31Å; Y64-K68 WeakPolarHBondContact O-CG 3.2Å; Y64-K68 PolarHBondContact O-N 3.44Å; M65-K68 VanDerWaalsContact CE-NZ 3.33Å; M65-K68 WeakPolarHBondContact SD-CE 3.45Å; M65-K68 PolarHBondContact SD-NZ 2.99Å; M65-K68 VanDerWaalsContact SD-NZ 3.39Å; K68-V106 VanDerWaalsContact NZ-CG1 3.3Å |
| 69 | S | 65.4 | Low | 87.4 | Confident | 127 Ų | 127 | 57.3 Ų | 57.3 | 89% | 0.888 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -0 | -178.5 | -48.4 | 0 | 0 | 0 | 0 | 114.3 | R67 | R67-S69 PolarHBondContact O-N 3.37Š|
| 70 | D | 76.3 | Confident | 87.2 | Confident | 81 Ų | 81 | 62.2 Ų | 62.2 | 43% | 0.433 | 31% | 0.307 | S | S | . | . | trans | -101.4 | 124.9 | -177.7 | -166.4 | -15.4 | 0 | 0 | 0 | 110.8 | R67 N72 W73 | R67-D70 HydrophobicContact CB-CB 4.3Å; R67-D70 WeakPolarHBondContact O-CB 3.46Å; R67-D70 PolarHBondContact O-N 3.3Å; D70-N72 PolarHBondContact O-N 3.02Å; D70-N72 PolarHBondContact OD1-N 3.46Å; D70-W73 PolarHBondContact O-N 2.94Å; D70-W73 VanDerWaalsContact O-N 3.15Å | ||
| 71 | N | 75.2 | Confident | 86.8 | Confident | 168 Ų | 168 | 62.6 Ų | 62.6 | 90% | 0.898 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.7 | 173.1 | -72.2 | -21.7 | 0 | 0 | 0 | 112 | ||
| 72 | N | 86.4 | Confident | 86.4 | Confident | 74 Ų | 74 | 67.8 Ų | 67.8 | 40% | 0.396 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 47.9 | 173.5 | -168.9 | 35.2 | 0 | 0 | 0 | 112.4 | D70 L74 G75 | D70-N72 PolarHBondContact O-N 3.02Å; D70-N72 PolarHBondContact OD1-N 3.46Å; N72-L74 PolarHBondContact O-N 2.88Å; N72-G75 PolarHBondContact ND2-O 3.39Å; N72-G75 PolarHBondContact O-N 2.8Å |
| 73 | W | 91.8 | Very high | 86.2 | Confident | 20 Ų | 20 | 68.7 Ų | 68.7 | 8% | 0.076 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -28.2 | 178.1 | 69.4 | -99.2 | 0 | 0 | 0 | 113.8 | F60 R63 Y64 R67 D70 G75 L271 Q272 I275 P276 | F60-W73 HydrophobicContact CB-CZ3 4.48Å; R63-W73 WeakPolarHBondContact CD-O 3.48Å; R63-W73 WeakPolarHBondContact CG-O 3.39Å; Y64-W73 HydrophobicContact CD2-CB 4.19Å; Y64-W73 AromaticContact CD2-CD1 3.92Å; Y64-W73 AromaticContact CD2-CD2 3.55Å; Y64-W73 HydrophobicContact CD2-CD2 3.55Å; Y64-W73 AromaticContact CD2-CE2 3.78Å; Y64-W73 AromaticContact CD2-CE3 3.97Å; Y64-W73 HydrophobicContact CD2-CE3 3.97Å; Y64-W73 AromaticContact CD2-CG 3.64Å; Y64-W73 HydrophobicContact CD2-CG 3.64Å; Y64-W73 HydrophobicContact CD2-CZ2 4.37Å; Y64-W73 AromaticContact CD2-NE1 3.99Å; Y64-W73 HydrophobicContact CE2-CD2 4.46Å; Y64-W73 HydrophobicContact CE2-CG 4.28Å; Y64-W73 HydrophobicContact CG-CD2 4.37Å; Y64-W73 HydrophobicContact CG-CE3 4.35Å; R67-W73 HydrophobicContact CB-CB 4.1Å; D70-W73 PolarHBondContact O-N 2.94Å; D70-W73 VanDerWaalsContact O-N 3.15Å; W73-G75 PolarHBondContact O-N 3.09Å; W73-L271 HydrophobicContact CH2-CG 4.4Å; W73-Q272 HydrophobicContact CZ2-CG 4.41Å; W73-I275 HydrophobicContact CH2-CB 3.56Å; W73-I275 HydrophobicContact CH2-CG1 3.64Å; W73-I275 HydrophobicContact CH2-CG2 3.9Å; W73-I275 HydrophobicContact CZ2-CB 3.9Å; W73-I275 HydrophobicContact CZ2-CG1 4.38Å; W73-I275 HydrophobicContact CZ2-CG2 4.37Å; W73-I275 HydrophobicContact CZ3-CB 4.35Å; W73-I275 HydrophobicContact CZ3-CG1 4.4Å; W73-I275 HydrophobicContact CZ3-CG2 4.21Å; W73-P276 HydrophobicContact CZ2-CG 4.27Å |
| 74 | L | 89.8 | Confident | 85.8 | Confident | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -28.5 | -178.8 | -162 | 68 | 0 | 0 | 0 | 111.8 | F60 R63 N72 L260 K268 L271 Q272 | F60-L74 HydrophobicContact CD1-CD1 3.93Å; F60-L74 HydrophobicContact CE1-CD1 4.12Å; R63-L74 WeakPolarHBondContact CD-O 3.18Å; R63-L74 PolarHBondContact NH1-O 2.93Å; N72-L74 PolarHBondContact O-N 2.88Å; L74-L260 HydrophobicContact CB-CD1 4.3Å; L74-L260 HydrophobicContact CD1-CD2 4.46Å; L74-L260 HydrophobicContact CD2-CD1 4Å; L74-L260 HydrophobicContact CD2-CD2 4.04Å; L74-L260 HydrophobicContact CG-CD1 3.76Å; L74-L260 HydrophobicContact CG-CD2 3.91Å; L74-L260 WeakPolarHBondContact O-CD1 3.34Å; L74-K268 HydrophobicContact CD2-CB 4.13Å; L74-K268 HydrophobicContact CD2-CD 4.37Å; L74-K268 HydrophobicContact CD2-CG 4.24Å; L74-L271 HydrophobicContact CD1-CD2 3.74Å; L74-L271 HydrophobicContact CD1-CG 4.38Å; L74-Q272 HydrophobicContact CD2-CG 4.28Å |
| 75 | G | 88.6 | Confident | 85.2 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | trans | 104.3 | -174.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N72 W73 E79 | N72-G75 PolarHBondContact ND2-O 3.39Å; N72-G75 PolarHBondContact O-N 2.8Å; W73-G75 PolarHBondContact O-N 3.09Å; G75-E79 WeakPolarHBondContact CA-OE2 3.27Å | ||
| 76 | R | 87.8 | Confident | 84.4 | Confident | 199 Ų | 199 | 72.3 Ų | 72.3 | 75% | 0.751 | 37% | 0.373 | S | S | * | . | trans | -84.1 | 155.9 | 177.1 | -63 | -179.6 | -178.5 | 170.3 | 0.7 | 110.3 | D78 E79 | R76-D78 PolarHBondContact O-N 3.04Å; R76-D78 VanDerWaalsContact O-N 3.11Å; R76-E79 HydrophobicContact CB-CB 4.27Å; R76-E79 PolarHBondContact N-OE2 3.03Å; R76-E79 WeakPolarHBondContact O-CB 3.36Å; R76-E79 PolarHBondContact O-N 3.04Å; R76-E79 VanDerWaalsContact O-N 3.11Å | ||
| 77 | D | 87.7 | Confident | 83.4 | Confident | 88 Ų | 88 | 73.8 Ų | 73.8 | 47% | 0.471 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -29.8 | -178.4 | -88 | -10.1 | 0 | 0 | 0 | 114.4 | Q259 L260 R261 | D77-Q259 CarbonylContact O-C 3.56Å; D77-L260 PolarHBondContact O-N 3.46Å; D77-L260 VanDerWaalsContact O-N 3.08Å; D77-R261 HydrophobicContact CB-CB 4.13Å; D77-R261 PolarHBondContact O-N 3.46Å; D77-R261 VanDerWaalsContact O-N 3.11Å |
| 78 | D | 88 | Confident | 82.1 | Confident | 95 Ų | 95 | 72.9 Ų | 72.9 | 51% | 0.508 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -4.9 | -174 | -69.6 | 19.9 | 0 | 0 | 0 | 113 | R76 R261 | R76-D78 PolarHBondContact O-N 3.04Å; R76-D78 VanDerWaalsContact O-N 3.11Å; D78-R261 VanDerWaalsContact CB-NH2 3.28Å; D78-R261 IonicContact OD1-CZ 3.2Å; D78-R261 IonicContact OD1-NE 3.6Å; D78-R261 PolarHBondContact OD1-NE 3.39Å; D78-R261 IonicContact OD1-NH1 3.27Å; D78-R261 PolarHBondContact OD1-NH1 3.3Å; D78-R261 IonicContact OD1-NH2 2.69Å; D78-R261 PolarHBondContact OD1-NH2 2.85Å; D78-R261 VanDerWaalsContact OD1-NH2 3.16Å; D78-R261 IonicContact OD2-CZ 2.87Å; D78-R261 VanDerWaalsContact OD2-CZ 3.27Å; D78-R261 IonicContact OD2-NH1 2.79Å; D78-R261 PolarHBondContact OD2-NH1 2.87Å; D78-R261 IonicContact OD2-NH2 3.43Å; D78-R261 PolarHBondContact OD2-NH2 3.39Å |
| 79 | E | 88.7 | Confident | 81.7 | Confident | 49 Ų | 49 | 72.5 Ų | 72.5 | 23% | 0.229 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 124.8 | -171.4 | -166.4 | -165.3 | 145.8 | 0 | 0 | 111.9 | R63 R67 G75 R76 | R63-E79 IonicContact CZ-OE1 3Å; R63-E79 IonicContact NE-OE1 2.76Å; R63-E79 PolarHBondContact NE-OE1 2.91Å; R63-E79 PolarHBondContact NH2-O 3.3Å; R63-E79 IonicContact NH2-OE1 3.89Å; R63-E79 PolarHBondContact NH2-OE1 3.45Å; R67-E79 IonicContact CZ-OE1 2.83Å; R67-E79 VanDerWaalsContact CZ-OE1 3.27Å; R67-E79 IonicContact CZ-OE2 2.71Å; R67-E79 IonicContact NH1-OE1 3.68Å; R67-E79 PolarHBondContact NH1-OE1 2.86Å; R67-E79 IonicContact NH1-OE2 3.16Å; R67-E79 PolarHBondContact NH1-OE2 3.41Å; R67-E79 IonicContact NH2-OE1 3.68Å; R67-E79 PolarHBondContact NH2-OE1 3.34Å; R67-E79 IonicContact NH2-OE2 3.65Å; R67-E79 PolarHBondContact NH2-OE2 2.9Å; G75-E79 WeakPolarHBondContact CA-OE2 3.27Å; R76-E79 HydrophobicContact CB-CB 4.27Å; R76-E79 PolarHBondContact N-OE2 3.03Å; R76-E79 WeakPolarHBondContact O-CB 3.36Å; R76-E79 PolarHBondContact O-N 3.04Å; R76-E79 VanDerWaalsContact O-N 3.11Å |
| 80 | E | 89.1 | Confident | 81.6 | Confident | 104 Ų | 104 | 71.6 Ų | 71.6 | 49% | 0.486 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 144.3 | 177.4 | -58.7 | -166.4 | 159.8 | 0 | 0 | 112.2 | R63 R257 | R63-E80 VanDerWaalsContact NH2-C 3.3Å; R63-E80 PolarHBondContact NH2-O 3.01Å; E80-R257 HydrophobicContact CB-CB 4.31Å; E80-R257 HydrophobicContact CG-CB 4Å |
| 81 | L | 87.2 | Confident | 81 | Confident | 10 Ų | 10 | 73.7 Ų | 73.7 | 5% | 0.052 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 116.7 | 178.3 | -171.8 | 65.9 | 0 | 0 | 0 | 109 | F56 D59 F60 W86 R257 | F56-L81 HydrophobicContact CD2-CD2 3.56Å; F56-L81 HydrophobicContact CE2-CD2 3.63Å; F56-L81 HydrophobicContact CG-CD2 4.42Å; D59-L81 HydrophobicContact CB-CD1 3.68Å; D59-L81 HydrophobicContact CB-CD2 3.69Å; D59-L81 HydrophobicContact CB-CG 3.47Å; D59-L81 VanDerWaalsContact CB-CG 3.47Å; F60-L81 HydrophobicContact CD1-CD1 3.94Å; F60-L81 HydrophobicContact CD2-CD2 4.11Å; F60-L81 HydrophobicContact CE1-CD1 3.96Å; F60-L81 HydrophobicContact CE1-CD2 4.28Å; F60-L81 HydrophobicContact CE2-CD2 3.81Å; F60-L81 HydrophobicContact CG-CD1 4.33Å; F60-L81 HydrophobicContact CG-CD2 4.5Å; F60-L81 HydrophobicContact CZ-CD1 4.41Å; F60-L81 HydrophobicContact CZ-CD2 3.9Å; L81-W86 HydrophobicContact CB-CZ2 4.22Å; L81-W86 HydrophobicContact CD2-CZ2 4.38Å; L81-R257 PolarHBondContact N-O 3.15Å |
| 82 | T | 87.3 | Confident | 80.5 | Confident | 108 Ų | 108 | 66.5 Ų | 66.5 | 66% | 0.663 | 37% | 0.368 | S | S | * | . | trans | -120.6 | 141.2 | -177.7 | 58.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 83 | G | 89.1 | Confident | 79.3 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 22% | 0.216 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 167.4 | -120.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | D59 W100 | D59-G83 VanDerWaalsContact OD1-CA 3.3Å; D59-G83 WeakPolarHBondContact OD1-CA 3.17Å; G83-W100 VanDerWaalsContact C-CZ3 3.43Å |
| 84 | F | 85.7 | Confident | 77.8 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 1% | 0.013 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -61.8 | 149.9 | 170.8 | -67.6 | -86.8 | 0 | 0 | 0 | 110.4 | P7 L58 D59 L62 W86 Q98 W100 L118 D120 | P7-F84 HydrophobicContact CB-CD1 3.58Å; P7-F84 HydrophobicContact CB-CE1 3.96Å; P7-F84 HydrophobicContact CB-CG 4.42Å; L58-F84 HydrophobicContact CB-CD2 3.79Å; L58-F84 HydrophobicContact CB-CE2 3.98Å; L58-F84 HydrophobicContact CD1-CD2 4.32Å; L58-F84 HydrophobicContact CD1-CE2 4.26Å; D59-F84 PolarHBondContact OD1-N 3.32Å; L62-F84 HydrophobicContact CD1-CD2 3.74Å; L62-F84 HydrophobicContact CD1-CE2 3.78Å; L62-F84 HydrophobicContact CG-CE2 4.31Å; F84-W86 PolarHBondContact O-N 3.48Å; F84-Q98 HydrophobicContact CD1-CB 4.42Å; F84-Q98 HydrophobicContact CE1-CB 4.22Å; F84-W100 HydrophobicContact CD2-CE3 4.37Å; F84-W100 HydrophobicContact CE1-CE3 4.38Å; F84-W100 HydrophobicContact CE2-CB 4.42Å; F84-W100 HydrophobicContact CE2-CE3 4.12Å; F84-W100 HydrophobicContact CZ-CB 3.91Å; F84-W100 HydrophobicContact CZ-CE3 4.13Å; F84-L118 HydrophobicContact CE2-CB 4.49Å; F84-L118 HydrophobicContact CZ-CB 4.49Å; F84-D120 HydrophobicContact CD1-CB 3.8Å; F84-D120 HydrophobicContact CE1-CB 3.85Å; F84-D120 HydrophobicContact CG-CB 4.33Å; F84-D120 HydrophobicContact CZ-CB 4.39Å |
| 85 | S | 81.6 | Confident | 77 | Confident | 57 Ų | 57 | 66.6 Ų | 66.6 | 40% | 0.399 | 37% | 0.369 | S | S | . | . | trans | -65.1 | 124.2 | 176.1 | -169.2 | 0 | 0 | 0 | 0 | 109.5 | E93 | S85-E93 PolarHBondContact OG-OE1 3.21Š| ||
| 86 | W | 76.3 | Confident | 76.9 | Confident | 61 Ų | 61 | 66.4 Ų | 66.4 | 23% | 0.231 | 37% | 0.367 | C | S | . | . | trans | -139.8 | 139 | 171.4 | 68.1 | -87.3 | 0 | 0 | 0 | 109.9 | F56 D59 L81 F84 F256 | F56-W86 HydrophobicContact CD2-CD2 4.3Å; F56-W86 HydrophobicContact CD2-CE3 4.28Å; F56-W86 HydrophobicContact CD2-CH2 4.1Å; F56-W86 HydrophobicContact CD2-CZ2 4.1Å; F56-W86 HydrophobicContact CD2-CZ3 4.19Å; F56-W86 HydrophobicContact CE2-CH2 4.25Å; F56-W86 HydrophobicContact CE2-CZ2 4.39Å; D59-W86 PolarHBondContact OD2-NE1 3.09Å; L81-W86 HydrophobicContact CB-CZ2 4.22Å; L81-W86 HydrophobicContact CD2-CZ2 4.38Å; F84-W86 PolarHBondContact O-N 3.48Å; W86-F256 AromaticContact CH2-CD1 3.56Å; W86-F256 HydrophobicContact CH2-CD1 3.56Å; W86-F256 AromaticContact CH2-CE1 3.59Å; W86-F256 HydrophobicContact CH2-CE1 3.59Å; W86-F256 AromaticContact CZ3-CD1 3.81Å; W86-F256 HydrophobicContact CZ3-CD1 3.81Å; W86-F256 HydrophobicContact CZ3-CE1 4.02Å | ||
| 87 | R | 69.6 | Low | 77.1 | Confident | 130 Ų | 130 | 56.9 Ų | 56.9 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | trans | -144.2 | 162.9 | 174.5 | 58.1 | 171.9 | 178.9 | 168.5 | -1.1 | 110.7 | R51 E93 | R51-R87 PolarHBondContact NH1-O 3.47Å; R87-E93 HydrophobicContact CG-CG 4.5Å; R87-E93 IonicContact CZ-OE2 3.26Å; R87-E93 IonicContact NE-OE2 2.63Å; R87-E93 PolarHBondContact NE-OE2 3.32Å; R87-E93 IonicContact NH2-OE2 2.66Å; R87-E93 PolarHBondContact NH2-OE2 2.86Å | ||
| 88 | G | 61.1 | Low | 77.3 | Confident | 57 Ų | 57 | 54 Ų | 54 | 59% | 0.588 | 31% | 0.314 | S | S | * | . | trans | -69 | -177.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112 | R51 | R51-G88 PolarHBondContact NH1-O 3.18Å; R51-G88 PolarHBondContact NH2-O 3.01Å | ||
| 89 | G | 62.8 | Low | 77.7 | Confident | 60 Ų | 60 | 49.4 Ų | 49.4 | 62% | 0.619 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 104.5 | 177.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R51 | R51-G89 WeakPolarHBondContact CD-O 3.35Å; R51-G89 PolarHBondContact NE-O 3.08Å; R51-G89 PolarHBondContact NH2-O 3.27Å |
| 90 | S | 63.8 | Low | 78 | Confident | 108 Ų | 108 | 47.9 Ų | 47.9 | 76% | 0.755 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -100.4 | -22.3 | -172.9 | 51.2 | 0 | 0 | 0 | 0 | 115 | ||
| 91 | E | 63.3 | Low | 78.2 | Confident | 125 Ų | 125 | 44.3 Ų | 44.3 | 58% | 0.584 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -84.6 | 152.2 | -173.8 | -64.5 | -175.2 | 163.5 | 0 | 0 | 114.1 | F50 R51 | F50-E91 VanDerWaalsContact CE1-O 3.3Å; F50-E91 WeakPolarHBondContact CE1-O 3.37Å; F50-E91 VanDerWaalsContact CZ-C 3.49Å; F50-E91 WeakPolarHBondContact CZ-O 3.46Å; R51-E91 PolarHBondContact NE-O 3.42Å; R51-E91 VanDerWaalsContact NE-O 3.07Å; R51-E91 PolarHBondContact NH2-O 2.97Å |
| 92 | P | 64.4 | Low | 78.5 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 12% | 0.117 | 29% | 0.289 | C | S | . | . | trans | -48.3 | 143.4 | 172.1 | 14.3 | -25.2 | 0 | 0 | 0 | 114.7 | F50 D126 | F50-P92 HydrophobicContact CE1-CB 4.46Å; F50-P92 HydrophobicContact CE2-CB 4.38Å; F50-P92 HydrophobicContact CZ-CB 4.25Å; P92-D126 HydrophobicContact CB-CB 4.27Å; P92-D126 HydrophobicContact CG-CB 4.18Å | ||
| 93 | E | 62.1 | Low | 78.9 | Confident | 60 Ų | 60 | 44.9 Ų | 44.9 | 28% | 0.28 | 26% | 0.263 | S | S | . | . | trans | -116.5 | -52.9 | 173.4 | -174.5 | 66.7 | -176.7 | 0 | 0 | 110.9 | S85 R87 | S85-E93 PolarHBondContact OG-OE1 3.21Å; R87-E93 HydrophobicContact CG-CG 4.5Å; R87-E93 IonicContact CZ-OE2 3.26Å; R87-E93 IonicContact NE-OE2 2.63Å; R87-E93 PolarHBondContact NE-OE2 3.32Å; R87-E93 IonicContact NH2-OE2 2.66Å; R87-E93 PolarHBondContact NH2-OE2 2.86Å | ||
| 94 | T | 61 | Low | 79.2 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | trans | -93.5 | 120.1 | 177.4 | -41.3 | 0 | 0 | 0 | 0 | 109.6 | Q98 Q122 | T94-Q98 HydrophobicContact CG2-CG 4.09Å; T94-Q122 WeakPolarHBondContact O-CB 3.26Å; T94-Q122 WeakPolarHBondContact O-CG 3.27Å | ||
| 95 | T | 72.9 | Confident | 79.7 | Confident | 33 Ų | 33 | 47.3 Ų | 47.3 | 20% | 0.202 | 27% | 0.273 | C | S | . | . | trans | -98.6 | 147 | 165.7 | 50.1 | 0 | 0 | 0 | 0 | 109.5 | Q9 I97 | Q9-T95 PolarHBondContact NE2-O 3.22Å; Q9-T95 PolarHBondContact OE1-O 3.44Å; T95-I97 PolarHBondContact O-N 2.97Å | ||
| 96 | G | 85.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 59 | -129.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | V11 Q122 | V11-G96 VanDerWaalsContact O-CA 3.31Å; V11-G96 WeakPolarHBondContact O-CA 3.48Å; G96-Q122 WeakPolarHBondContact O-CB 3.27Å; G96-Q122 PolarHBondContact O-N 2.93Å |
| 97 | I | 91.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.3 | 179.2 | -51.8 | -177.1 | 0 | 0 | 0 | 109.1 | Q9 I10 V11 T95 M119 I137 L140 | Q9-I97 PolarHBondContact NE2-O 3.36Å; I10-I97 VanDerWaalsContact CD1-C 3.42Å; I10-I97 HydrophobicContact CD1-CB 4.28Å; I10-I97 HydrophobicContact CD1-CG2 3.98Å; I10-I97 WeakPolarHBondContact CD1-O 3.18Å; I10-I97 HydrophobicContact CG1-CB 4.28Å; I10-I97 HydrophobicContact CG1-CG2 4.21Å; I10-I97 PolarHBondContact N-O 3.36Å; V11-I97 HydrophobicContact CB-CB 3.95Å; V11-I97 HydrophobicContact CB-CD1 4.32Å; V11-I97 HydrophobicContact CB-CG1 3.99Å; V11-I97 HydrophobicContact CG2-CB 4.18Å; V11-I97 HydrophobicContact CG2-CD1 4.05Å; V11-I97 HydrophobicContact CG2-CG1 4.22Å; V11-I97 PolarHBondContact N-O 3.46Å; V11-I97 PolarHBondContact O-N 3.5Å; V11-I97 VanDerWaalsContact O-N 3.07Å; T95-I97 PolarHBondContact O-N 2.97Å; I97-M119 HydrophobicContact CG2-CG 3.48Å; I97-M119 VanDerWaalsContact CG2-CG 3.48Å; I97-M119 HydrophobicContact CG2-SD 3.77Å; I97-I137 HydrophobicContact CD1-CD1 4.38Å; I97-I137 HydrophobicContact CG1-CD1 3.88Å; I97-I137 HydrophobicContact CG1-CG2 4.09Å; I97-L140 HydrophobicContact CD1-CB 3.95Å |
| 98 | Q | 92.9 | Very high | 82.2 | Confident | 26 Ų | 26 | 43.4 Ų | 43.4 | 12% | 0.121 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 140 | 173.5 | -68 | -176.4 | 2.2 | 0 | 0 | 111.5 | V8 F84 T94 M119 D120 | V8-Q98 WeakPolarHBondContact O-CA 3.46Å; F84-Q98 HydrophobicContact CD1-CB 4.42Å; F84-Q98 HydrophobicContact CE1-CB 4.22Å; T94-Q98 HydrophobicContact CG2-CG 4.09Å; Q98-M119 WeakPolarHBondContact O-CA 3.38Å; Q98-D120 HydrophobicContact CB-CB 4.41Å; Q98-D120 PolarHBondContact N-O 3.24Å; Q98-D120 PolarHBondContact O-N 2.98Å |
| 99 | L | 95.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 148.3 | 172.2 | -74.4 | -171.6 | 0 | 0 | 0 | 108.8 | V8 I10 L27 I30 S101 V117 L118 M119 | V8-L99 PolarHBondContact N-O 3.39Å; V8-L99 PolarHBondContact O-N 2.93Å; I10-L99 HydrophobicContact CD1-CB 3.72Å; I10-L99 HydrophobicContact CD1-CD1 4.31Å; I10-L99 HydrophobicContact CD1-CD2 4.38Å; I10-L99 HydrophobicContact CD1-CG 3.44Å; I10-L99 VanDerWaalsContact CD1-CG 3.44Å; I10-L99 HydrophobicContact CG1-CG 4.11Å; L27-L99 HydrophobicContact CD1-CD1 3.58Å; I30-L99 HydrophobicContact CD1-CB 4.26Å; L99-S101 PolarHBondContact O-N 2.96Å; L99-V117 HydrophobicContact CD1-CG1 3.9Å; L99-V117 HydrophobicContact CD2-CG1 3.52Å; L99-V117 HydrophobicContact CG-CG1 4.19Å; L99-L118 WeakPolarHBondContact CD2-O 3.41Å; L99-M119 HydrophobicContact CD2-CB 3.55Å; L99-M119 HydrophobicContact CD2-CE 3.95Å; L99-M119 HydrophobicContact CD2-CG 3.85Å |
| 100 | W | 95.6 | Very high | 84.8 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 6% | 0.064 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 127.1 | 167.2 | -165.2 | -117.7 | 0 | 0 | 0 | 110 | A5 H6 P7 L62 G83 F84 K102 F104 L118 | A5-W100 VanDerWaalsContact C-CZ2 3.45Å; A5-W100 HydrophobicContact CB-CZ2 3.54Å; A5-W100 VanDerWaalsContact O-CH2 3.24Å; A5-W100 WeakPolarHBondContact O-CH2 3.45Å; A5-W100 VanDerWaalsContact O-CZ2 3.28Å; A5-W100 WeakPolarHBondContact O-CZ2 3.33Å; H6-W100 VanDerWaalsContact C-CZ3 3.49Å; P7-W100 HydrophobicContact CB-CE3 4.46Å; P7-W100 HydrophobicContact CB-CZ3 4.47Å; L62-W100 HydrophobicContact CD1-CD2 3.88Å; L62-W100 HydrophobicContact CD1-CE3 3.76Å; L62-W100 HydrophobicContact CD1-CH2 4.1Å; L62-W100 HydrophobicContact CD1-CZ2 4.19Å; L62-W100 HydrophobicContact CD1-CZ3 3.86Å; L62-W100 HydrophobicContact CD2-CB 4.24Å; L62-W100 VanDerWaalsContact CD2-CD1 3.49Å; L62-W100 HydrophobicContact CD2-CD2 3.65Å; L62-W100 HydrophobicContact CD2-CE3 4.36Å; L62-W100 HydrophobicContact CD2-CG 3.56Å; L62-W100 HydrophobicContact CD2-CZ2 4.44Å; L62-W100 HydrophobicContact CG-CD2 4.46Å; G83-W100 VanDerWaalsContact C-CZ3 3.43Å; F84-W100 HydrophobicContact CD2-CE3 4.37Å; F84-W100 HydrophobicContact CE1-CE3 4.38Å; F84-W100 HydrophobicContact CE2-CB 4.42Å; F84-W100 HydrophobicContact CE2-CE3 4.12Å; F84-W100 HydrophobicContact CZ-CB 3.91Å; F84-W100 HydrophobicContact CZ-CE3 4.13Å; W100-K102 PolarHBondContact O-N 3.49Å; W100-K102 VanDerWaalsContact O-N 3.15Å; W100-F104 AromaticContact CD1-CE2 3.77Å; W100-F104 AromaticContact CD1-CZ 4Å; W100-L118 PolarHBondContact N-O 2.93Å |
| 101 | S | 93.9 | Very high | 85.9 | Confident | 29 Ų | 29 | 44.5 Ų | 44.5 | 20% | 0.203 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -56.6 | -30.6 | -178.3 | 44.2 | 0 | 0 | 0 | 0 | 114.1 | A5 H6 L99 | A5-S101 WeakPolarHBondContact CA-OG 3.45Å; H6-S101 PolarHBondContact N-OG 3.26Å; H6-S101 VanDerWaalsContact O-CB 3.28Å; H6-S101 WeakPolarHBondContact O-CB 3.34Å; H6-S101 PolarHBondContact O-N 2.91Å; H6-S101 PolarHBondContact O-OG 3.17Å; L99-S101 PolarHBondContact O-N 2.96Å |
| 102 | K | 93.9 | Very high | 87.2 | Confident | 111 Ų | 111 | 41.2 Ų | 41.2 | 48% | 0.483 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -95.5 | 111.2 | -179.4 | -173 | 177.3 | -176.9 | 173.1 | 0 | 111.3 | A5 W100 | A5-K102 HydrophobicContact CB-CB 3.92Å; W100-K102 PolarHBondContact O-N 3.49Å; W100-K102 VanDerWaalsContact O-N 3.15Å |
| 103 | V | 95.6 | Very high | 88.6 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 12% | 0.115 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -75.2 | 127.6 | 171.2 | -175 | 0 | 0 | 0 | 0 | 110 | I30 V36 A115 V117 | I30-V103 HydrophobicContact CG2-CG2 3.47Å; I30-V103 VanDerWaalsContact CG2-CG2 3.47Å; V36-V103 HydrophobicContact CB-CG1 4.23Å; V36-V103 HydrophobicContact CG1-CB 4.19Å; V36-V103 HydrophobicContact CG1-CG1 4.04Å; V36-V103 HydrophobicContact CG2-CB 4.21Å; V36-V103 HydrophobicContact CG2-CG1 4.24Å; V36-V103 HydrophobicContact CG2-CG2 4.3Å; V103-A115 HydrophobicContact CG1-CB 3.69Å; V103-V117 HydrophobicContact CG1-CG2 4.04Å; V103-V117 HydrophobicContact CG2-CG2 4.22Å |
| 104 | F | 95.3 | Very high | 90.3 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 123.1 | -179 | -62 | -88.4 | 0 | 0 | 0 | 110.7 | L62 M65 H66 W100 A115 V116 | L62-F104 HydrophobicContact CD2-CE2 3.82Å; L62-F104 HydrophobicContact CD2-CZ 3.86Å; M65-F104 HydrophobicContact CB-CD1 3.8Å; M65-F104 HydrophobicContact CB-CD2 4.11Å; M65-F104 HydrophobicContact CB-CE1 3.68Å; M65-F104 HydrophobicContact CB-CE2 4.01Å; M65-F104 HydrophobicContact CB-CG 4.01Å; M65-F104 HydrophobicContact CB-CZ 3.79Å; M65-F104 HydrophobicContact CE-CB 3.3Å; M65-F104 HydrophobicContact CE-CD1 4.29Å; M65-F104 HydrophobicContact CE-CD2 3.94Å; M65-F104 HydrophobicContact CE-CG 3.6Å; M65-F104 HydrophobicContact CG-CD2 4.39Å; M65-F104 HydrophobicContact CG-CE2 4.49Å; H66-F104 AromaticContact CD2-CZ 3.95Å; H66-F104 AromaticContact CE1-CE1 3.65Å; H66-F104 AromaticContact CE1-CZ 3.9Å; H66-F104 AromaticContact ND1-CE1 3.86Å; H66-F104 AromaticContact NE2-CE1 3.73Å; H66-F104 AromaticContact NE2-CZ 3.55Å; W100-F104 AromaticContact CD1-CE2 3.77Å; W100-F104 AromaticContact CD1-CZ 4Å; F104-A115 CarbonylContact O-C 3.46Å; F104-V116 HydrophobicContact CB-CB 4.29Å; F104-V116 PolarHBondContact N-O 3.09Å; F104-V116 PolarHBondContact O-N 2.67Å |
| 105 | T | 95.1 | Very high | 92 | Very high | 60 Ų | 60 | 41.7 Ų | 41.7 | 37% | 0.368 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 131.1 | 172.2 | -64.3 | 0 | 0 | 0 | 0 | 109.9 | K39 E113 V114 | K39-T105 HydrophobicContact CD-CG2 4.21Å; K39-T105 PolarHBondContact NZ-OG1 2.55Å; T105-E113 HydrophobicContact CG2-CG 3.31Å; T105-E113 WeakPolarHBondContact CG2-OE1 3.47Å; T105-V114 WeakPolarHBondContact CA-O 3.32Å |
| 106 | V | 94.2 | Very high | 93.2 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 125.2 | -175.5 | -169 | 0 | 0 | 0 | 0 | 110 | M65 K68 E113 V114 V116 P281 L284 | M65-V106 HydrophobicContact CE-CG2 3.88Å; K68-V106 VanDerWaalsContact NZ-CG1 3.3Å; V106-E113 WeakPolarHBondContact O-CA 3.48Å; V106-V114 HydrophobicContact CB-CG2 4.16Å; V106-V114 PolarHBondContact N-O 3.4Å; V106-V114 PolarHBondContact O-N 2.98Å; V106-V116 HydrophobicContact CB-CG2 4.39Å; V106-V116 HydrophobicContact CG2-CB 4.38Å; V106-V116 HydrophobicContact CG2-CG2 3.56Å; V106-P281 HydrophobicContact CG1-CB 3.99Å; V106-P281 HydrophobicContact CG1-CG 3.84Å; V106-L284 HydrophobicContact CB-CD1 3.97Å; V106-L284 HydrophobicContact CG1-CD1 3.8Å; V106-L284 HydrophobicContact CG2-CD1 4.14Å |
| 107 | Q | 93.6 | Very high | 93.8 | Very high | 135 Ų | 135 | 40.3 Ų | 40.3 | 63% | 0.631 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 126.5 | 172 | -166.7 | 171.2 | 22.2 | 0 | 0 | 109.9 | P281 | Q107-P281 WeakPolarHBondContact O-CB 3.22Å |
| 108 | K | 92 | Very high | 94 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 11% | 0.109 | 23% | 0.226 | C | C | . | . | trans | -83.7 | 163.9 | 174.7 | -70.1 | -174.8 | 168 | -173 | 0 | 111.2 | D110 G111 T112 V114 L284 E286 | K108-D110 WeakPolarHBondContact CB-OD1 3.49Å; K108-D110 PolarHBondContact O-N 2.76Å; K108-G111 PolarHBondContact O-N 3.49Å; K108-T112 WeakPolarHBondContact CD-OG1 3.34Å; K108-T112 PolarHBondContact N-O 3.39Å; K108-V114 HydrophobicContact CD-CG1 4.17Å; K108-V114 HydrophobicContact CG-CG2 4.39Å; K108-L284 WeakPolarHBondContact CE-O 3.31Å; K108-L284 PolarHBondContact NZ-O 3.02Å; K108-E286 IonicContact NZ-OE1 3.72Å; K108-E286 PolarHBondContact NZ-OE1 3.37Å; K108-E286 IonicContact NZ-OE2 3.49Å; K108-E286 PolarHBondContact NZ-OE2 2.97Å | ||
| 109 | S | 89.6 | Confident | 94.1 | Very high | 99 Ų | 99 | 39.1 Ų | 39.1 | 69% | 0.692 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25.9 | 176.5 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | G111 D282 | S109-G111 PolarHBondContact O-N 2.81Å; S109-D282 WeakPolarHBondContact CB-OD1 3.48Å; S109-D282 PolarHBondContact N-OD1 3.37Å; S109-D282 PolarHBondContact OG-OD1 2.86Å |
| 110 | D | 89.1 | Confident | 94 | Very high | 102 Ų | 102 | 39.1 Ų | 39.1 | 55% | 0.545 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 0.1 | 174.4 | 67.1 | 5.7 | 0 | 0 | 0 | 113.7 | K108 T112 | K108-D110 WeakPolarHBondContact CB-OD1 3.49Å; K108-D110 PolarHBondContact O-N 2.76Å; D110-T112 VanDerWaalsContact C-N 3.28Å; D110-T112 PolarHBondContact O-N 2.72Å; D110-T112 VanDerWaalsContact OD1-CB 3.3Å; D110-T112 WeakPolarHBondContact OD1-CB 3.41Å; D110-T112 WeakPolarHBondContact OD1-CG2 3.24Å; D110-T112 PolarHBondContact OD1-N 3.32Å; D110-T112 PolarHBondContact OD1-OG1 3.47Å; D110-T112 PolarHBondContact OD2-OG1 3.2Å |
| 111 | G | 88.2 | Confident | 93.6 | Very high | 47 Ų | 47 | 38.3 Ų | 38.3 | 49% | 0.485 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 84.2 | -5.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K108 S109 | K108-G111 PolarHBondContact O-N 3.49Å; S109-G111 PolarHBondContact O-N 2.81Å |
| 112 | T | 90.4 | Very high | 92.5 | Very high | 56 Ų | 56 | 37.5 Ų | 37.5 | 34% | 0.344 | 21% | 0.21 | S | C | . | . | trans | -74.2 | 147.3 | 176 | 66.5 | 0 | 0 | 0 | 0 | 111.2 | K108 D110 | K108-T112 WeakPolarHBondContact CD-OG1 3.34Å; K108-T112 PolarHBondContact N-O 3.39Å; D110-T112 VanDerWaalsContact C-N 3.28Å; D110-T112 PolarHBondContact O-N 2.72Å; D110-T112 VanDerWaalsContact OD1-CB 3.3Å; D110-T112 WeakPolarHBondContact OD1-CB 3.41Å; D110-T112 WeakPolarHBondContact OD1-CG2 3.24Å; D110-T112 PolarHBondContact OD1-N 3.32Å; D110-T112 PolarHBondContact OD1-OG1 3.47Å; D110-T112 PolarHBondContact OD2-OG1 3.2Å | ||
| 113 | E | 94.3 | Very high | 91 | Very high | 95 Ų | 95 | 32.3 Ų | 32.3 | 44% | 0.444 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.4 | -179.8 | -161.9 | -178.2 | -141 | 0 | 0 | 109.8 | K39 T105 V106 | K39-E113 HydrophobicContact CD-CG 4.36Å; K39-E113 WeakPolarHBondContact CE-OE2 3.5Å; K39-E113 VanDerWaalsContact NZ-CD 3.28Å; K39-E113 IonicContact NZ-OE1 2.78Å; K39-E113 IonicContact NZ-OE2 2.99Å; K39-E113 PolarHBondContact NZ-OE2 3.13Å; T105-E113 HydrophobicContact CG2-CG 3.31Å; T105-E113 WeakPolarHBondContact CG2-OE1 3.47Å; V106-E113 WeakPolarHBondContact O-CA 3.48Å |
| 114 | V | 96.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 151.6 | -176.4 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | H40 V42 T105 V106 K108 L284 E286 | H40-V114 WeakPolarHBondContact O-CA 3.34Å; V42-V114 HydrophobicContact CG2-CB 4.16Å; V42-V114 HydrophobicContact CG2-CG2 4.07Å; T105-V114 WeakPolarHBondContact CA-O 3.32Å; V106-V114 HydrophobicContact CB-CG2 4.16Å; V106-V114 PolarHBondContact N-O 3.4Å; V106-V114 PolarHBondContact O-N 2.98Å; K108-V114 HydrophobicContact CD-CG1 4.17Å; K108-V114 HydrophobicContact CG-CG2 4.39Å; V114-L284 HydrophobicContact CG2-CD1 4.05Å; V114-E286 HydrophobicContact CG1-CG 3.78Å |
| 115 | A | 97.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | V36 K39 H40 V41 V42 V103 F104 C296 | V36-A115 HydrophobicContact CB-CB 4.29Å; K39-A115 HydrophobicContact CB-CB 4Å; H40-A115 PolarHBondContact O-N 3.14Å; V41-A115 CarbonylContact C-O 3.58Å; V41-A115 VanDerWaalsContact CA-O 3.3Å; V41-A115 WeakPolarHBondContact CA-O 3.47Å; V42-A115 PolarHBondContact N-O 3.31Å; V103-A115 HydrophobicContact CG1-CB 3.69Å; F104-A115 CarbonylContact O-C 3.46Å; A115-C296 WeakPolarHBondContact CB-SG 3.31Å |
| 116 | V | 97.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 124.6 | 179.2 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | V42 M65 F104 V106 L118 L279 L284 | V42-V116 HydrophobicContact CB-CG2 4.15Å; V42-V116 WeakPolarHBondContact O-CA 3.3Å; M65-V116 HydrophobicContact CE-CB 3.69Å; M65-V116 HydrophobicContact CE-CG1 3.73Å; M65-V116 HydrophobicContact CE-CG2 4.02Å; F104-V116 HydrophobicContact CB-CB 4.29Å; F104-V116 PolarHBondContact N-O 3.09Å; F104-V116 PolarHBondContact O-N 2.67Å; V106-V116 HydrophobicContact CB-CG2 4.39Å; V106-V116 HydrophobicContact CG2-CB 4.38Å; V106-V116 HydrophobicContact CG2-CG2 3.56Å; V116-L118 HydrophobicContact CG1-CD2 4.38Å; V116-L279 HydrophobicContact CG1-CD2 4.43Å; V116-L284 HydrophobicContact CG2-CD1 3.63Å; V116-L284 HydrophobicContact CG2-CD2 4.1Å; V116-L284 HydrophobicContact CG2-CG 4.49Å |
| 117 | V | 97.4 | Very high | 84.2 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 130.2 | 177.8 | 176.7 | 0 | 0 | 0 | 0 | 108.6 | L31 V41 V42 V43 L44 L99 V103 | L31-V117 HydrophobicContact CD2-CG2 4.19Å; V41-V117 HydrophobicContact CG2-CB 4.44Å; V41-V117 HydrophobicContact CG2-CG2 3.74Å; V42-V117 PolarHBondContact O-N 3.07Å; V43-V117 HydrophobicContact CG2-CB 4.38Å; L44-V117 PolarHBondContact N-O 3.15Å; L99-V117 HydrophobicContact CD1-CG1 3.9Å; L99-V117 HydrophobicContact CD2-CG1 3.52Å; L99-V117 HydrophobicContact CG-CG1 4.19Å; V103-V117 HydrophobicContact CG1-CG2 4.04Å; V103-V117 HydrophobicContact CG2-CG2 4.22Å |
| 118 | L | 96.8 | Very high | 82.7 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 131.7 | 173.2 | -59.3 | -174.3 | 0 | 0 | 0 | 109.5 | L44 L58 M61 L62 F84 L99 W100 V116 L279 | L44-L118 HydrophobicContact CB-CD2 3.9Å; L44-L118 HydrophobicContact CD2-CD2 4.04Å; L58-L118 HydrophobicContact CD2-CB 4.36Å; M61-L118 HydrophobicContact CB-CD1 4.02Å; L62-L118 HydrophobicContact CD2-CD1 3.61Å; L62-L118 HydrophobicContact CG-CD1 3.83Å; F84-L118 HydrophobicContact CE2-CB 4.49Å; F84-L118 HydrophobicContact CZ-CB 4.49Å; L99-L118 WeakPolarHBondContact CD2-O 3.41Å; W100-L118 PolarHBondContact N-O 2.93Å; V116-L118 HydrophobicContact CG1-CD2 4.38Å; L118-L279 HydrophobicContact CD2-CD2 4.39Å |
| 119 | M | 95.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.2 | -176.1 | -180 | -174.1 | -58.1 | 0 | 0 | 110.4 | V43 L44 V46 I97 Q98 L99 T121 F303 | V43-M119 HydrophobicContact CG1-CE 3.64Å; L44-M119 PolarHBondContact O-N 3.34Å; V46-M119 PolarHBondContact N-O 3.02Å; V46-M119 VanDerWaalsContact N-O 3.12Å; I97-M119 HydrophobicContact CG2-CG 3.48Å; I97-M119 VanDerWaalsContact CG2-CG 3.48Å; I97-M119 HydrophobicContact CG2-SD 3.77Å; Q98-M119 WeakPolarHBondContact O-CA 3.38Å; L99-M119 HydrophobicContact CD2-CB 3.55Å; L99-M119 HydrophobicContact CD2-CE 3.95Å; L99-M119 HydrophobicContact CD2-CG 3.85Å; M119-T121 HydrophobicContact CG-CG2 4.3Å; M119-T121 HydrophobicContact SD-CG2 4.38Å; M119-F303 HydrophobicContact CE-CE2 4.4Å; M119-F303 HydrophobicContact CE-CZ 3.68Å |
| 120 | D | 92.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.4 | 167.5 | -161.7 | 16.3 | 0 | 0 | 0 | 109 | S55 L58 F84 Q98 | S55-D120 WeakPolarHBondContact CB-OD2 3.43Å; S55-D120 PolarHBondContact OG-OD2 3.46Å; L58-D120 HydrophobicContact CD1-CB 3.37Å; L58-D120 VanDerWaalsContact CD1-CG 3.49Å; L58-D120 WeakPolarHBondContact CD1-OD1 3.16Å; F84-D120 HydrophobicContact CD1-CB 3.8Å; F84-D120 HydrophobicContact CE1-CB 3.85Å; F84-D120 HydrophobicContact CG-CB 4.33Å; F84-D120 HydrophobicContact CZ-CB 4.39Å; Q98-D120 HydrophobicContact CB-CB 4.41Å; Q98-D120 PolarHBondContact N-O 3.24Å; Q98-D120 PolarHBondContact O-N 2.98Å |
| 121 | T | 86.1 | Confident | 80.2 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 153.1 | 175.6 | 79 | 0 | 0 | 0 | 0 | 110.1 | V46 A47 K54 M119 I137 | V46-T121 PolarHBondContact O-N 3.3Å; V46-T121 PolarHBondContact O-OG1 3.46Å; A47-T121 VanDerWaalsContact CA-OG1 3.25Å; A47-T121 WeakPolarHBondContact CA-OG1 3.41Å; A47-T121 HydrophobicContact CB-CG2 4.13Å; A47-T121 VanDerWaalsContact CB-OG1 3.22Å; A47-T121 WeakPolarHBondContact CB-OG1 3.38Å; K54-T121 WeakPolarHBondContact CE-O 3.47Å; M119-T121 HydrophobicContact CG-CG2 4.3Å; M119-T121 HydrophobicContact SD-CG2 4.38Å; T121-I137 HydrophobicContact CG2-CG2 4.48Å |
| 122 | Q | 72 | Confident | 79.6 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 5% | 0.051 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.1 | 147.6 | 166.4 | 177.7 | 169.3 | 4.9 | 0 | 0 | 110.7 | T94 G96 D126 S129 | T94-Q122 WeakPolarHBondContact O-CB 3.26Å; T94-Q122 WeakPolarHBondContact O-CG 3.27Å; G96-Q122 WeakPolarHBondContact O-CB 3.27Å; G96-Q122 PolarHBondContact O-N 2.93Å; Q122-D126 PolarHBondContact NE2-OD2 3.49Å; Q122-S129 PolarHBondContact NE2-OG 3.2Å |
| 123 | G | 63.3 | Low | 79 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 130 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G48 | G48-G123 WeakPolarHBondContact O-CA 3.3Å |
| 124 | A | 56.9 | Low | 78.2 | Confident | 10 Ų | 10 | 29.3 Ų | 29.3 | 8% | 0.083 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 144.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G48 F50 C134 | G48-A124 PolarHBondContact O-N 2.96Å; F50-A124 PolarHBondContact N-O 3.44Å; F50-A124 VanDerWaalsContact N-O 3.07Å; A124-C134 VanDerWaalsContact CA-SG 3.58Å; A124-C134 HydrophobicContact CB-CB 3.81Å |
| 125 | F | 57.1 | Low | 77.4 | Confident | 108 Ų | 108 | 30.4 Ų | 30.4 | 47% | 0.474 | 17% | 0.166 | S | C | . | . | trans | 65.9 | 50.1 | 173.6 | -44.4 | -72 | 0 | 0 | 0 | 115.7 | V131 C134 | F125-V131 HydrophobicContact CE1-CG2 4.48Å; F125-C134 PolarHBondContact N-SG 3.44Å | ||
| 126 | D | 62.2 | Low | 76.6 | Confident | 14 Ų | 14 | 30.4 Ų | 30.4 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | trans | -78.3 | 169.3 | 157.2 | 65.1 | 15.3 | 0 | 0 | 0 | 110.6 | F50 P92 Q122 Q128 S129 | F50-D126 HydrophobicContact CD1-CB 4.42Å; F50-D126 HydrophobicContact CG-CB 4.46Å; P92-D126 HydrophobicContact CB-CB 4.27Å; P92-D126 HydrophobicContact CG-CB 4.18Å; Q122-D126 PolarHBondContact NE2-OD2 3.49Å; D126-Q128 PolarHBondContact O-N 2.88Å; D126-Q128 PolarHBondContact OD1-N 3.12Å; D126-S129 VanDerWaalsContact CG-OG 3.29Å; D126-S129 WeakPolarHBondContact OD1-CA 3.31Å; D126-S129 WeakPolarHBondContact OD1-CB 3.1Å; D126-S129 PolarHBondContact OD1-N 3.42Å; D126-S129 PolarHBondContact OD1-OG 3.08Å; D126-S129 PolarHBondContact OD2-OG 3.45Å | ||
| 127 | D | 60.4 | Low | 76 | Confident | 133 Ų | 133 | 30.6 Ų | 30.6 | 71% | 0.711 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -70.8 | -4.7 | -177.1 | 59.1 | -32.6 | 0 | 0 | 0 | 113.9 | ||
| 128 | Q | 62.3 | Low | 75.5 | Confident | 89 Ų | 89 | 31 Ų | 31 | 42% | 0.416 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -119.1 | -15.9 | -172 | -64.3 | 177.2 | 15.4 | 0 | 0 | 113.2 | D126 | D126-Q128 PolarHBondContact O-N 2.88Å; D126-Q128 PolarHBondContact OD1-N 3.12Å |
| 129 | S | 69.9 | Low | 74.9 | Confident | 22 Ų | 22 | 31 Ų | 31 | 15% | 0.154 | 17% | 0.168 | C | C | . | . | trans | -103 | 142 | -177.5 | -52.2 | 0 | 0 | 0 | 0 | 111.5 | Q122 D126 | Q122-S129 PolarHBondContact NE2-OG 3.2Å; D126-S129 VanDerWaalsContact CG-OG 3.29Å; D126-S129 WeakPolarHBondContact OD1-CA 3.31Å; D126-S129 WeakPolarHBondContact OD1-CB 3.1Å; D126-S129 PolarHBondContact OD1-N 3.42Å; D126-S129 PolarHBondContact OD1-OG 3.08Å; D126-S129 PolarHBondContact OD2-OG 3.45Å | ||
| 130 | T | 74.4 | Confident | 74.6 | Confident | 52 Ų | 52 | 31 Ų | 31 | 32% | 0.319 | 17% | 0.168 | S | C | . | . | trans | -76.4 | 163.9 | 173.4 | 68 | 0 | 0 | 0 | 0 | 111.1 | K132 D133 C134 | T130-K132 PolarHBondContact O-N 3.13Å; T130-K132 PolarHBondContact OG1-N 2.88Å; T130-D133 PolarHBondContact N-OD2 3.08Å; T130-D133 PolarHBondContact O-N 3.48Å; T130-D133 PolarHBondContact OG1-N 3.26Å; T130-D133 VanDerWaalsContact OG1-N 3.1Å; T130-D133 PolarHBondContact OG1-OD1 3.36Å; T130-D133 PolarHBondContact OG1-OD2 3.39Å; T130-C134 PolarHBondContact O-N 3.49Å; T130-C134 PolarHBondContact O-SG 2.8Å | ||
| 131 | V | 73.8 | Confident | 74.6 | Confident | 106 Ų | 106 | 31 Ų | 31 | 64% | 0.642 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -57.9 | -36.6 | 170.9 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | F125 D133 C134 A135 | F125-V131 HydrophobicContact CE1-CG2 4.48Å; V131-D133 VanDerWaalsContact C-N 3.33Å; V131-D133 PolarHBondContact O-N 3.08Å; V131-C134 PolarHBondContact O-N 2.91Å; V131-A135 WeakPolarHBondContact O-CB 3.49Å; V131-A135 PolarHBondContact O-N 2.84Å |
| 132 | K | 74.9 | Confident | 74.8 | Confident | 48 Ų | 48 | 31.1 Ų | 31.1 | 21% | 0.209 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 174 | 179.8 | -170.6 | 173.1 | -165.3 | 0 | 110.7 | T130 C134 A135 T136 G312 E313 L315 | T130-K132 PolarHBondContact O-N 3.13Å; T130-K132 PolarHBondContact OG1-N 2.88Å; K132-C134 VanDerWaalsContact C-N 3.31Å; K132-C134 PolarHBondContact O-N 3.06Å; K132-A135 PolarHBondContact O-N 3.24Å; K132-T136 PolarHBondContact O-N 3.49Å; K132-T136 PolarHBondContact O-OG1 3.35Å; K132-G312 PolarHBondContact NZ-O 3.44Å; K132-E313 WeakPolarHBondContact CE-O 3.37Å; K132-E313 PolarHBondContact NZ-O 2.76Å; K132-L315 HydrophobicContact CG-CD2 4.07Å; K132-L315 HydrophobicContact CG-CG 4.21Å |
| 133 | D | 78.1 | Confident | 75.7 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.011 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -43.6 | -176.5 | -58.4 | -29.1 | 0 | 0 | 0 | 111.6 | H18 F20 T130 V131 A135 T136 I137 | H18-D133 IonicContact CE1-OD2 3.84Å; H18-D133 IonicContact CG-OD2 2.81Å; H18-D133 IonicContact ND1-OD2 3.28Å; H18-D133 PolarHBondContact ND1-OD2 3.26Å; F20-D133 HydrophobicContact CZ-CB 3.88Å; T130-D133 PolarHBondContact N-OD2 3.08Å; T130-D133 PolarHBondContact O-N 3.48Å; T130-D133 PolarHBondContact OG1-N 3.26Å; T130-D133 VanDerWaalsContact OG1-N 3.1Å; T130-D133 PolarHBondContact OG1-OD1 3.36Å; T130-D133 PolarHBondContact OG1-OD2 3.39Å; V131-D133 VanDerWaalsContact C-N 3.33Å; V131-D133 PolarHBondContact O-N 3.08Å; D133-A135 PolarHBondContact O-N 3.1Å; D133-T136 PolarHBondContact O-N 3.48Å; D133-I137 WeakPolarHBondContact O-CG1 3.37Å; D133-I137 PolarHBondContact O-N 3.08Å |
| 134 | C | 77.6 | Confident | 77.1 | Confident | 12 Ų | 12 | 30.6 Ų | 30.6 | 8% | 0.081 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 176.1 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | A124 F125 T130 V131 K132 F138 | A124-C134 VanDerWaalsContact CA-SG 3.58Å; A124-C134 HydrophobicContact CB-CB 3.81Å; F125-C134 PolarHBondContact N-SG 3.44Å; T130-C134 PolarHBondContact O-N 3.49Å; T130-C134 PolarHBondContact O-SG 2.8Å; V131-C134 PolarHBondContact O-N 2.91Å; K132-C134 VanDerWaalsContact C-N 3.31Å; K132-C134 PolarHBondContact O-N 3.06Å; C134-F138 VanDerWaalsContact O-CB 3.23Å; C134-F138 WeakPolarHBondContact O-CB 3.34Å; C134-F138 PolarHBondContact O-N 3.45Å |
| 135 | A | 78.8 | Confident | 78.9 | Confident | 25 Ų | 25 | 30.3 Ų | 30.3 | 21% | 0.207 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.7 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V131 K132 D133 A139 L166 L315 | V131-A135 WeakPolarHBondContact O-CB 3.49Å; V131-A135 PolarHBondContact O-N 2.84Å; K132-A135 PolarHBondContact O-N 3.24Å; D133-A135 PolarHBondContact O-N 3.1Å; A135-A139 WeakPolarHBondContact O-CB 3.32Å; A135-A139 PolarHBondContact O-N 2.87Å; A135-L166 HydrophobicContact CB-CD2 4.25Å; A135-L315 HydrophobicContact CB-CD1 4.43Å; A135-L315 HydrophobicContact CB-CD2 4.28Å |
| 136 | T | 81.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.3 | -50.8 | 175.6 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | F20 K132 D133 F138 A139 L140 Y310 | F20-T136 HydrophobicContact CD1-CG2 3.94Å; F20-T136 HydrophobicContact CD2-CG2 3.84Å; F20-T136 HydrophobicContact CE1-CG2 3.84Å; F20-T136 HydrophobicContact CE2-CG2 3.76Å; F20-T136 HydrophobicContact CG-CG2 3.97Å; F20-T136 HydrophobicContact CZ-CG2 3.79Å; K132-T136 PolarHBondContact O-N 3.49Å; K132-T136 PolarHBondContact O-OG1 3.35Å; D133-T136 PolarHBondContact O-N 3.48Å; T136-F138 VanDerWaalsContact C-N 3.34Å; T136-F138 PolarHBondContact O-N 2.66Å; T136-A139 PolarHBondContact O-N 2.87Å; T136-L140 HydrophobicContact CG2-CD1 3.77Å; T136-L140 HydrophobicContact CG2-CG 4.3Å; T136-L140 WeakPolarHBondContact O-CB 3.5Å; T136-L140 VanDerWaalsContact O-CG 3.31Å; T136-L140 WeakPolarHBondContact O-CG 3.33Å; T136-L140 PolarHBondContact O-N 2.77Å; T136-Y310 HydrophobicContact CG2-CD1 3.7Å; T136-Y310 HydrophobicContact CG2-CG 3.73Å; T136-Y310 WeakPolarHBondContact OG1-CD1 3.47Å |
| 137 | I | 85.9 | Confident | 82.4 | Confident | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 179.8 | -67.7 | -62.4 | 0 | 0 | 0 | 110.8 | V11 V13 F20 I97 T121 D133 A139 L140 S141 | V11-I137 HydrophobicContact CG1-CD1 4.07Å; V13-I137 HydrophobicContact CG2-CD1 4.16Å; F20-I137 HydrophobicContact CD1-CD1 4.05Å; F20-I137 HydrophobicContact CE1-CD1 3.69Å; F20-I137 HydrophobicContact CE1-CG1 3.86Å; I97-I137 HydrophobicContact CD1-CD1 4.38Å; I97-I137 HydrophobicContact CG1-CD1 3.88Å; I97-I137 HydrophobicContact CG1-CG2 4.09Å; T121-I137 HydrophobicContact CG2-CG2 4.48Å; D133-I137 WeakPolarHBondContact O-CG1 3.37Å; D133-I137 PolarHBondContact O-N 3.08Å; I137-A139 VanDerWaalsContact C-N 3.33Å; I137-A139 PolarHBondContact O-N 3.05Å; I137-L140 PolarHBondContact O-N 3.39Å; I137-S141 WeakPolarHBondContact O-CB 3.35Å; I137-S141 PolarHBondContact O-N 3.02Å; I137-S141 PolarHBondContact O-OG 2.9Å |
| 138 | F | 85.5 | Confident | 84.1 | Confident | 12 Ų | 12 | 19 Ų | 19 | 5% | 0.053 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 177.8 | -170.2 | -93.2 | 0 | 0 | 0 | 111.3 | A47 C134 T136 S141 T142 Y150 L164 F167 | A47-F138 HydrophobicContact CB-CD2 3.56Å; A47-F138 HydrophobicContact CB-CE2 3.81Å; C134-F138 VanDerWaalsContact O-CB 3.23Å; C134-F138 WeakPolarHBondContact O-CB 3.34Å; C134-F138 PolarHBondContact O-N 3.45Å; T136-F138 VanDerWaalsContact C-N 3.34Å; T136-F138 PolarHBondContact O-N 2.66Å; F138-S141 PolarHBondContact O-N 2.94Å; F138-S141 PolarHBondContact O-OG 3.33Å; F138-T142 WeakPolarHBondContact O-CB 3.35Å; F138-T142 PolarHBondContact O-N 3.34Å; F138-T142 PolarHBondContact O-OG1 3.48Å; F138-Y150 AromaticContact CE2-CD2 3.67Å; F138-Y150 HydrophobicContact CE2-CD2 3.67Å; F138-Y150 AromaticContact CE2-CE2 3.89Å; F138-Y150 HydrophobicContact CE2-CE2 3.89Å; F138-Y150 HydrophobicContact CE2-CG 4.22Å; F138-Y150 HydrophobicContact CZ-CD2 4.13Å; F138-Y150 HydrophobicContact CZ-CE2 4.33Å; F138-Y150 HydrophobicContact CZ-CG 4.27Å; F138-L164 HydrophobicContact CE1-CD2 3.55Å; F138-L164 HydrophobicContact CZ-CD2 3.69Å; F138-F167 HydrophobicContact CD1-CD2 4.43Å; F138-F167 AromaticContact CD1-CE2 3.28Å; F138-F167 HydrophobicContact CD1-CE2 3.28Å; F138-F167 AromaticContact CD1-CZ 3.48Å; F138-F167 HydrophobicContact CD1-CZ 3.48Å; F138-F167 VanDerWaalsContact CD1-CZ 3.48Å; F138-F167 HydrophobicContact CE1-CD2 4.1Å; F138-F167 AromaticContact CE1-CE2 3.31Å; F138-F167 HydrophobicContact CE1-CE2 3.31Å; F138-F167 AromaticContact CE1-CZ 3.9Å; F138-F167 HydrophobicContact CE1-CZ 3.9Å |
| 139 | A | 85.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.5 | -48.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A135 T136 I137 S141 T142 M143 L166 F167 Y310 | A135-A139 WeakPolarHBondContact O-CB 3.32Å; A135-A139 PolarHBondContact O-N 2.87Å; T136-A139 PolarHBondContact O-N 2.87Å; I137-A139 VanDerWaalsContact C-N 3.33Å; I137-A139 PolarHBondContact O-N 3.05Å; A139-S141 VanDerWaalsContact C-N 3.29Å; A139-S141 PolarHBondContact O-N 3.23Å; A139-T142 PolarHBondContact O-N 2.97Å; A139-M143 HydrophobicContact CB-CE 4.3Å; A139-M143 WeakPolarHBondContact O-CE 3.29Å; A139-M143 WeakPolarHBondContact O-CG 3.46Å; A139-M143 PolarHBondContact O-N 3.38Å; A139-L166 HydrophobicContact CB-CD2 4.2Å; A139-F167 VanDerWaalsContact CA-CE1 3.45Å; A139-F167 VanDerWaalsContact CA-CZ 3.45Å; A139-F167 HydrophobicContact CB-CE1 3.53Å; A139-F167 HydrophobicContact CB-CZ 3.69Å; A139-Y310 HydrophobicContact CB-CE1 4.25Å; A139-Y310 WeakPolarHBondContact CB-OH 3.46Å |
| 140 | L | 88.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -56.7 | -45.5 | 175.7 | -72.9 | 172.1 | 0 | 0 | 0 | 111.2 | I97 T136 I137 T142 M143 T144 I307 Y310 | I97-L140 HydrophobicContact CD1-CB 3.95Å; T136-L140 HydrophobicContact CG2-CD1 3.77Å; T136-L140 HydrophobicContact CG2-CG 4.3Å; T136-L140 WeakPolarHBondContact O-CB 3.5Å; T136-L140 VanDerWaalsContact O-CG 3.31Å; T136-L140 WeakPolarHBondContact O-CG 3.33Å; T136-L140 PolarHBondContact O-N 2.77Å; I137-L140 PolarHBondContact O-N 3.39Å; L140-T142 PolarHBondContact O-N 3.14Å; L140-M143 HydrophobicContact CD2-CE 4.12Å; L140-T144 WeakPolarHBondContact O-CB 3.4Å; L140-T144 WeakPolarHBondContact O-CG2 3.41Å; L140-T144 PolarHBondContact O-N 3.01Å; L140-T144 PolarHBondContact O-OG1 3.47Å; L140-I307 HydrophobicContact CD1-CD1 3.66Å; L140-Y310 HydrophobicContact CD2-CD2 3.77Å; L140-Y310 HydrophobicContact CD2-CE2 4.11Å; L140-Y310 HydrophobicContact CG-CD2 4.14Å; L140-Y310 HydrophobicContact CG-CE2 4.46Å |
| 141 | S | 91.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.9 | -38.3 | 178.6 | 78.3 | 0 | 0 | 0 | 0 | 112.7 | S45 I137 F138 A139 T144 S145 Q148 | S45-S141 WeakPolarHBondContact OG-CB 3.43Å; I137-S141 WeakPolarHBondContact O-CB 3.35Å; I137-S141 PolarHBondContact O-N 3.02Å; I137-S141 PolarHBondContact O-OG 2.9Å; F138-S141 PolarHBondContact O-N 2.94Å; F138-S141 PolarHBondContact O-OG 3.33Å; A139-S141 VanDerWaalsContact C-N 3.29Å; A139-S141 PolarHBondContact O-N 3.23Å; S141-T144 PolarHBondContact O-OG1 3.37Å; S141-S145 WeakPolarHBondContact O-CB 3.27Å; S141-S145 PolarHBondContact O-N 3.22Å; S141-S145 PolarHBondContact O-OG 3.25Å; S141-Q148 PolarHBondContact O-OE1 3.26Å; S141-Q148 PolarHBondContact OG-OE1 3.24Å |
| 142 | T | 91.1 | Very high | 88.7 | Confident | 2 Ų | 2 | 6.4 Ų | 6.4 | 1% | 0.012 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -71.6 | -44.1 | 179.3 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | F138 A139 L140 T144 S145 F183 F235 | F138-T142 WeakPolarHBondContact O-CB 3.35Å; F138-T142 PolarHBondContact O-N 3.34Å; F138-T142 PolarHBondContact O-OG1 3.48Å; A139-T142 PolarHBondContact O-N 2.97Å; L140-T142 PolarHBondContact O-N 3.14Å; T142-T144 VanDerWaalsContact C-N 3.33Å; T142-T144 PolarHBondContact O-N 3.39Å; T142-S145 PolarHBondContact O-OG 3.45Å; T142-F183 HydrophobicContact CG2-CD1 4.13Å; T142-F183 HydrophobicContact CG2-CD2 4.37Å; T142-F183 HydrophobicContact CG2-CE1 4.3Å; T142-F183 HydrophobicContact CG2-CG 4.17Å; T142-F183 HydrophobicContact CG2-CZ 4.49Å; T142-F235 HydrophobicContact CG2-CE1 3.81Å; T142-F235 HydrophobicContact CG2-CZ 3.82Å |
| 143 | M | 89.8 | Confident | 89.6 | Confident | 3 Ų | 3 | 5.4 Ų | 5.4 | 2% | 0.015 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65.9 | -37.2 | 178.8 | -68.3 | -177.4 | -70.9 | 0 | 0 | 111.7 | A139 L140 F183 K287 M289 Y306 Y310 | A139-M143 HydrophobicContact CB-CE 4.3Å; A139-M143 WeakPolarHBondContact O-CE 3.29Å; A139-M143 WeakPolarHBondContact O-CG 3.46Å; A139-M143 PolarHBondContact O-N 3.38Å; L140-M143 HydrophobicContact CD2-CE 4.12Å; M143-F183 HydrophobicContact CB-CE1 4.38Å; M143-F183 HydrophobicContact CG-CE1 3.79Å; M143-F183 HydrophobicContact CG-CZ 4.26Å; M143-K287 WeakPolarHBondContact O-CE 3.43Å; M143-K287 PolarHBondContact O-NZ 2.64Å; M143-M289 WeakPolarHBondContact O-CE 3.48Å; M143-Y306 HydrophobicContact CB-CD2 4.13Å; M143-Y306 HydrophobicContact CB-CE2 3.78Å; M143-Y306 HydrophobicContact CE-CD1 4.31Å; M143-Y306 HydrophobicContact CE-CD2 4.35Å; M143-Y306 HydrophobicContact CE-CG 4.08Å; M143-Y306 HydrophobicContact SD-CD1 4.08Å; M143-Y306 HydrophobicContact SD-CD2 4.45Å; M143-Y306 HydrophobicContact SD-CE1 4.02Å; M143-Y306 HydrophobicContact SD-CE2 4.4Å; M143-Y306 HydrophobicContact SD-CG 4.31Å; M143-Y310 HydrophobicContact CE-CD2 4.43Å; M143-Y310 HydrophobicContact CE-CE2 3.39Å |
| 144 | T | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -86.9 | -20.1 | -177 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | L140 S141 T142 F303 Y306 | L140-T144 WeakPolarHBondContact O-CB 3.4Å; L140-T144 WeakPolarHBondContact O-CG2 3.41Å; L140-T144 PolarHBondContact O-N 3.01Å; L140-T144 PolarHBondContact O-OG1 3.47Å; S141-T144 PolarHBondContact O-OG1 3.37Å; T142-T144 VanDerWaalsContact C-N 3.33Å; T142-T144 PolarHBondContact O-N 3.39Å; T144-F303 HydrophobicContact CG2-CD1 4.18Å; T144-F303 HydrophobicContact CG2-CD2 4.01Å; T144-F303 HydrophobicContact CG2-CE1 3.93Å; T144-F303 HydrophobicContact CG2-CE2 3.74Å; T144-F303 HydrophobicContact CG2-CG 4.21Å; T144-F303 HydrophobicContact CG2-CZ 3.7Å; T144-F303 WeakPolarHBondContact OG1-CZ 3.34Å; T144-Y306 HydrophobicContact CG2-CD2 3.99Å; T144-Y306 HydrophobicContact CG2-CE2 4.38Å |
| 145 | S | 95.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 12 Ų | 12 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | trans | -83.4 | 151.5 | 179.6 | 65.1 | 0 | 0 | 0 | 0 | 114.2 | S141 T142 Q148 K287 | S141-S145 WeakPolarHBondContact O-CB 3.27Å; S141-S145 PolarHBondContact O-N 3.22Å; S141-S145 PolarHBondContact O-OG 3.25Å; T142-S145 PolarHBondContact O-OG 3.45Å; S145-Q148 PolarHBondContact OG-OE1 3.5Å; S145-K287 WeakPolarHBondContact O-CD 3.27Å; S145-K287 WeakPolarHBondContact O-CE 3.49Å; S145-K287 PolarHBondContact O-NZ 3.19Å | ||
| 146 | S | 96.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.007 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -91.5 | -29.9 | 166.1 | 64.4 | 0 | 0 | 0 | 0 | 111.3 | V43 Q184 S185 A285 | V43-S146 PolarHBondContact N-OG 2.83Å; V43-S146 PolarHBondContact O-N 3.23Å; V43-S146 PolarHBondContact O-OG 2.9Å; S146-Q184 VanDerWaalsContact CA-OE1 3.32Å; S146-Q184 WeakPolarHBondContact O-CB 3Å; S146-S185 PolarHBondContact O-N 3.33Å; S146-S185 VanDerWaalsContact O-N 3.13Å; S146-A285 VanDerWaalsContact CB-O 3.23Å; S146-A285 WeakPolarHBondContact CB-O 3.34Å; S146-A285 PolarHBondContact OG-O 3.3Å |
| 147 | V | 96.5 | Very high | 92.2 | Very high | 14 Ų | 14 | 15.6 Ų | 15.6 | 9% | 0.085 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 113.3 | 171.9 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | V43 L44 S45 I149 L278 | V43-V147 PolarHBondContact O-N 3.3Å; V43-V147 VanDerWaalsContact O-N 3.12Å; L44-V147 HydrophobicContact CD1-CB 3.9Å; L44-V147 HydrophobicContact CD1-CG1 3.95Å; L44-V147 HydrophobicContact CD1-CG2 4.39Å; L44-V147 HydrophobicContact CG-CB 4.47Å; S45-V147 PolarHBondContact N-O 2.99Å; V147-I149 HydrophobicContact CG1-CG1 4.28Å; V147-L278 HydrophobicContact CG1-CD2 4.44Å |
| 148 | Q | 95.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 115.8 | 172.2 | -175.7 | 57 | 49.4 | 0 | 0 | 109.3 | S45 S141 S145 S185 L186 M187 | S45-Q148 PolarHBondContact OG-NE2 3.4Å; S45-Q148 PolarHBondContact OG-OE1 2.97Å; S141-Q148 PolarHBondContact O-OE1 3.26Å; S141-Q148 PolarHBondContact OG-OE1 3.24Å; S145-Q148 PolarHBondContact OG-OE1 3.5Å; Q148-S185 PolarHBondContact N-O 3.31Å; Q148-L186 HydrophobicContact CB-CD1 4.17Å; Q148-L186 HydrophobicContact CG-CD1 4.01Å; Q148-L186 WeakPolarHBondContact O-CA 3.39Å; Q148-M187 PolarHBondContact O-N 3.49Å |
| 149 | I | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 113 | 172.7 | -60.1 | 175 | 0 | 0 | 0 | 107.4 | L44 S45 V46 A47 M61 V147 N151 M187 L189 L278 | L44-I149 HydrophobicContact CD1-CD1 4.36Å; L44-I149 HydrophobicContact CD2-CD1 3.82Å; L44-I149 HydrophobicContact CG-CD1 4.11Å; S45-I149 WeakPolarHBondContact O-CB 3.46Å; S45-I149 PolarHBondContact O-N 2.99Å; V46-I149 HydrophobicContact CB-CB 4.49Å; V46-I149 HydrophobicContact CG1-CB 4.48Å; V46-I149 HydrophobicContact CG1-CG2 4.26Å; V46-I149 HydrophobicContact CG2-CB 4.09Å; V46-I149 HydrophobicContact CG2-CD1 4.02Å; V46-I149 HydrophobicContact CG2-CG2 4.42Å; A47-I149 PolarHBondContact N-O 3.4Å; A47-I149 VanDerWaalsContact O-O 3.07Å; M61-I149 HydrophobicContact CE-CD1 3.66Å; V147-I149 HydrophobicContact CG1-CG1 4.28Å; I149-N151 PolarHBondContact O-N 2.84Å; I149-M187 CarbonylContact C-O 3.56Å; I149-M187 WeakPolarHBondContact CA-O 3.4Å; I149-M187 HydrophobicContact CB-CE 4.22Å; I149-M187 HydrophobicContact CD1-CE 3.88Å; I149-M187 HydrophobicContact CG1-CE 3.68Å; I149-M187 HydrophobicContact CG2-CE 3.7Å; I149-L189 HydrophobicContact CG2-CB 3.79Å; I149-L189 HydrophobicContact CG2-CD2 4Å; I149-L278 HydrophobicContact CD1-CD1 3.79Å |
| 150 | Y | 94.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 98 | 175 | -169.9 | -160.5 | 0 | 0 | 0 | 109.4 | A47 F138 L152 D160 Q163 L164 M187 F188 L189 | A47-Y150 CarbonylContact O-C 3.56Å; A47-Y150 WeakPolarHBondContact O-CA 3.38Å; F138-Y150 AromaticContact CE2-CD2 3.67Å; F138-Y150 HydrophobicContact CE2-CD2 3.67Å; F138-Y150 AromaticContact CE2-CE2 3.89Å; F138-Y150 HydrophobicContact CE2-CE2 3.89Å; F138-Y150 HydrophobicContact CE2-CG 4.22Å; F138-Y150 HydrophobicContact CZ-CD2 4.13Å; F138-Y150 HydrophobicContact CZ-CE2 4.33Å; F138-Y150 HydrophobicContact CZ-CG 4.27Å; Y150-L152 HydrophobicContact CD1-CD1 4.14Å; Y150-L152 HydrophobicContact CD1-CD2 4.27Å; Y150-L152 HydrophobicContact CD1-CG 4.27Å; Y150-L152 HydrophobicContact CD2-CD2 4Å; Y150-L152 HydrophobicContact CD2-CG 4.37Å; Y150-L152 HydrophobicContact CE1-CD1 4.16Å; Y150-L152 HydrophobicContact CE1-CD2 3.9Å; Y150-L152 HydrophobicContact CE1-CG 4.33Å; Y150-L152 HydrophobicContact CE2-CD2 3.6Å; Y150-L152 HydrophobicContact CE2-CG 4.42Å; Y150-L152 HydrophobicContact CG-CD2 4.32Å; Y150-L152 HydrophobicContact CG-CG 4.29Å; Y150-L152 PolarHBondContact O-N 3.26Å; Y150-D160 HydrophobicContact CE1-CB 4.22Å; Y150-D160 WeakPolarHBondContact CE1-O 3.37Å; Y150-D160 WeakPolarHBondContact OH-CA 3.19Å; Y150-D160 PolarHBondContact OH-O 3.36Å; Y150-Q163 PolarHBondContact OH-OE1 2.85Å; Y150-L164 HydrophobicContact CD1-CD1 4.47Å; Y150-L164 HydrophobicContact CD1-CD2 4.43Å; Y150-L164 HydrophobicContact CE1-CD1 4.31Å; Y150-L164 HydrophobicContact CE1-CD2 4.26Å; Y150-L164 HydrophobicContact CE1-CG 4.33Å; Y150-M187 PolarHBondContact N-O 2.99Å; Y150-F188 AromaticContact CD1-CD1 3.85Å; Y150-F188 HydrophobicContact CD1-CD1 3.85Å; Y150-F188 AromaticContact CD1-CE1 3.64Å; Y150-F188 HydrophobicContact CD1-CE1 3.64Å; Y150-F188 HydrophobicContact CD1-CZ 4.47Å; Y150-F188 HydrophobicContact CE1-CE1 4.09Å; Y150-L189 PolarHBondContact O-N 3.33Å |
| 151 | N | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 104.8 | -174.1 | 179.8 | 91.8 | 0 | 0 | 0 | 110.8 | V46 A47 K52 K54 I149 R191 | V46-N151 HydrophobicContact CG1-CB 3.99Å; A47-N151 PolarHBondContact O-N 2.8Å; K52-N151 WeakPolarHBondContact CB-ND2 3.44Å; K52-N151 PolarHBondContact O-ND2 2.91Å; K54-N151 HydrophobicContact CG-CB 4.14Å; I149-N151 PolarHBondContact O-N 2.84Å; N151-R191 VanDerWaalsContact OD1-CD 3.28Å; N151-R191 WeakPolarHBondContact OD1-CD 2.98Å; N151-R191 VanDerWaalsContact OD1-CG 3.24Å; N151-R191 WeakPolarHBondContact OD1-CG 3.34Å; N151-R191 PolarHBondContact OD1-NH1 3.29Å |
| 152 | L | 93.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 156 | -175.7 | -64.3 | 177.9 | 0 | 0 | 0 | 111.7 | Y150 I156 D160 F188 L189 R191 | Y150-L152 HydrophobicContact CD1-CD1 4.14Å; Y150-L152 HydrophobicContact CD1-CD2 4.27Å; Y150-L152 HydrophobicContact CD1-CG 4.27Å; Y150-L152 HydrophobicContact CD2-CD2 4Å; Y150-L152 HydrophobicContact CD2-CG 4.37Å; Y150-L152 HydrophobicContact CE1-CD1 4.16Å; Y150-L152 HydrophobicContact CE1-CD2 3.9Å; Y150-L152 HydrophobicContact CE1-CG 4.33Å; Y150-L152 HydrophobicContact CE2-CD2 3.6Å; Y150-L152 HydrophobicContact CE2-CG 4.42Å; Y150-L152 HydrophobicContact CG-CD2 4.32Å; Y150-L152 HydrophobicContact CG-CG 4.29Å; Y150-L152 PolarHBondContact O-N 3.26Å; L152-I156 HydrophobicContact CD1-CB 4.33Å; L152-I156 HydrophobicContact CD1-CG1 3.77Å; L152-I156 HydrophobicContact CD1-CG2 4.32Å; L152-D160 HydrophobicContact CD1-CB 4.29Å; L152-D160 HydrophobicContact CD2-CB 4.06Å; L152-D160 VanDerWaalsContact CD2-CG 3.48Å; L152-D160 VanDerWaalsContact CD2-OD1 3.32Å; L152-D160 WeakPolarHBondContact CD2-OD1 3.28Å; L152-F188 HydrophobicContact CD1-CD1 3.72Å; L152-F188 HydrophobicContact CD1-CE1 4.33Å; L152-L189 PolarHBondContact N-O 3.33Å; L152-R191 VanDerWaalsContact O-CB 3.27Å; L152-R191 WeakPolarHBondContact O-CB 3.41Å; L152-R191 VanDerWaalsContact O-CG 3.29Å; L152-R191 WeakPolarHBondContact O-CG 3.49Å; L152-R191 PolarHBondContact O-N 2.94Å |
| 153 | S | 92.3 | Very high | 90.4 | Very high | 27 Ų | 27 | 28.5 Ų | 28.5 | 19% | 0.189 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121 | -177.8 | -168 | 0 | 0 | 0 | 0 | 110.1 | K52 N155 | K52-S153 PolarHBondContact NZ-OG 3.25Å; S153-N155 PolarHBondContact O-N 3.21Å |
| 154 | Q | 92.8 | Very high | 90 | Very high | 111 Ų | 111 | 28.4 Ų | 28.4 | 52% | 0.519 | 14% | 0.142 | S | C | . | . | S | Bend | trans | 64.6 | -42.2 | 174.2 | -59 | 173.4 | -14.5 | 0 | 0 | 116.3 | V190 R191 D192 W193 | Q154-V190 VanDerWaalsContact O-CG1 3.29Å; Q154-V190 WeakPolarHBondContact O-CG1 3.46Å; Q154-R191 WeakPolarHBondContact CA-O 3.41Å; Q154-R191 PolarHBondContact N-O 2.84Å; Q154-D192 HydrophobicContact CG-CB 4.22Å; Q154-W193 VanDerWaalsContact O-CE3 3.26Å |
| 155 | N | 94.1 | Very high | 89.2 | Confident | 41 Ų | 41 | 31.8 Ų | 31.8 | 22% | 0.219 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -150.2 | 170.5 | -171.8 | -159.6 | 6.7 | 0 | 0 | 0 | 111.1 | S153 F209 R213 | S153-N155 PolarHBondContact O-N 3.21Å; N155-F209 WeakPolarHBondContact OD1-CZ 3.38Å; N155-R213 PolarHBondContact ND2-NH2 3.48Å; N155-R213 PolarHBondContact OD1-NH2 3.39Å |
| 156 | I | 93.5 | Very high | 88 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | trans | -102.1 | 112.2 | 165.8 | -57.7 | 171.4 | 0 | 0 | 0 | 106.9 | L152 L161 F188 V190 F209 L210 | L152-I156 HydrophobicContact CD1-CB 4.33Å; L152-I156 HydrophobicContact CD1-CG1 3.77Å; L152-I156 HydrophobicContact CD1-CG2 4.32Å; I156-L161 HydrophobicContact CG2-CD2 3.99Å; I156-L161 HydrophobicContact CG2-CG 4.19Å; I156-F188 HydrophobicContact CD1-CB 4.1Å; I156-F188 HydrophobicContact CD1-CD1 3.86Å; I156-F188 HydrophobicContact CD1-CG 4.06Å; I156-F188 HydrophobicContact CG1-CD1 4.23Å; I156-F188 HydrophobicContact CG2-CE1 4.38Å; I156-V190 HydrophobicContact CD1-CG2 4.22Å; I156-V190 HydrophobicContact CG1-CG2 3.88Å; I156-F209 HydrophobicContact CB-CE1 4.3Å; I156-F209 HydrophobicContact CD1-CD1 4.23Å; I156-F209 HydrophobicContact CD1-CE1 3.74Å; I156-F209 HydrophobicContact CG1-CE1 3.89Å; I156-L210 HydrophobicContact CD1-CD1 3.58Å | ||
| 157 | Q | 90 | Very high | 86.9 | Confident | 100 Ų | 100 | 33.6 Ų | 33.6 | 47% | 0.467 | 17% | 0.166 | S | C | . | . | trans | -96 | 169.8 | -179.5 | -57.4 | -170.9 | -4.5 | 0 | 0 | 111.1 | D159 D160 L161 | Q157-D159 WeakPolarHBondContact CB-OD1 3.5Å; Q157-D159 PolarHBondContact OE1-OD1 2.84Å; Q157-D160 PolarHBondContact N-OD2 2.94Å; Q157-D160 WeakPolarHBondContact O-CB 3.5Å; Q157-D160 PolarHBondContact O-N 3.21Å; Q157-L161 PolarHBondContact O-N 2.95Å | ||
| 158 | E | 83.9 | Confident | 85.7 | Confident | 65 Ų | 65 | 33.2 Ų | 33.2 | 30% | 0.304 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -73.1 | -34.1 | -177.9 | -65 | -60.9 | 149.8 | 0 | 0 | 112.2 | D160 L161 Q162 L224 R228 | E158-D160 VanDerWaalsContact C-N 3.32Å; E158-L161 WeakPolarHBondContact O-CB 3.46Å; E158-L161 PolarHBondContact O-N 3.23Å; E158-L161 VanDerWaalsContact O-N 3.15Å; E158-Q162 WeakPolarHBondContact O-CG 3.24Å; E158-Q162 PolarHBondContact O-N 2.62Å; E158-L224 HydrophobicContact CB-CD2 4.3Å; E158-L224 HydrophobicContact CG-CD1 4.37Å; E158-R228 IonicContact OE1-CZ 2.72Å; E158-R228 IonicContact OE1-NH2 3.99Å; E158-R228 PolarHBondContact OE1-NH2 3.36Å; E158-R228 IonicContact OE2-CZ 2.85Å; E158-R228 VanDerWaalsContact OE2-CZ 3.28Å; E158-R228 IonicContact OE2-NH1 2.64Å; E158-R228 PolarHBondContact OE2-NH1 3.02Å; E158-R228 IonicContact OE2-NH2 3.2Å; E158-R228 PolarHBondContact OE2-NH2 3.39Å |
| 159 | D | 81.6 | Confident | 84.6 | Confident | 71 Ų | 71 | 36.5 Ų | 36.5 | 38% | 0.38 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.4 | -36.9 | 172.1 | 57.5 | -43.8 | 0 | 0 | 0 | 111.8 | Q157 L161 Q162 Q163 | Q157-D159 WeakPolarHBondContact CB-OD1 3.5Å; Q157-D159 PolarHBondContact OE1-OD1 2.84Å; D159-L161 PolarHBondContact O-N 2.76Å; D159-Q162 PolarHBondContact O-N 3.25Å; D159-Q163 PolarHBondContact O-N 3.32Å; D159-Q163 VanDerWaalsContact O-N 3.13Å |
| 160 | D | 85.3 | Confident | 83.5 | Confident | 21 Ų | 21 | 37 Ų | 37 | 11% | 0.112 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.7 | -37.5 | 172.5 | -64.4 | -42.1 | 0 | 0 | 0 | 111.5 | Y150 L152 Q157 E158 | Y150-D160 HydrophobicContact CE1-CB 4.22Å; Y150-D160 WeakPolarHBondContact CE1-O 3.37Å; Y150-D160 WeakPolarHBondContact OH-CA 3.19Å; Y150-D160 PolarHBondContact OH-O 3.36Å; L152-D160 HydrophobicContact CD1-CB 4.29Å; L152-D160 HydrophobicContact CD2-CB 4.06Å; L152-D160 VanDerWaalsContact CD2-CG 3.48Å; L152-D160 VanDerWaalsContact CD2-OD1 3.32Å; L152-D160 WeakPolarHBondContact CD2-OD1 3.28Å; Q157-D160 PolarHBondContact N-OD2 2.94Å; Q157-D160 WeakPolarHBondContact O-CB 3.5Å; Q157-D160 PolarHBondContact O-N 3.21Å; E158-D160 VanDerWaalsContact C-N 3.32Å |
| 161 | L | 84.5 | Confident | 82.2 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -77.2 | -36.6 | 177.9 | -62.5 | 179.1 | 0 | 0 | 0 | 111.7 | I156 Q157 E158 D159 Q163 L164 F188 L214 V227 | I156-L161 HydrophobicContact CG2-CD2 3.99Å; I156-L161 HydrophobicContact CG2-CG 4.19Å; Q157-L161 PolarHBondContact O-N 2.95Å; E158-L161 WeakPolarHBondContact O-CB 3.46Å; E158-L161 PolarHBondContact O-N 3.23Å; E158-L161 VanDerWaalsContact O-N 3.15Å; D159-L161 PolarHBondContact O-N 2.76Å; L161-Q163 PolarHBondContact O-N 3.19Å; L161-L164 HydrophobicContact CD2-CD1 4.35Å; L161-L164 WeakPolarHBondContact O-CA 3.35Å; L161-L164 VanDerWaalsContact O-CB 3.31Å; L161-L164 WeakPolarHBondContact O-CB 3.42Å; L161-L164 PolarHBondContact O-N 3.21Å; L161-F188 HydrophobicContact CD2-CE1 4.17Å; L161-F188 HydrophobicContact CD2-CZ 4.19Å; L161-L214 HydrophobicContact CD1-CD2 4.42Å; L161-L214 HydrophobicContact CD2-CD2 4.03Å; L161-V227 HydrophobicContact CB-CG1 4.15Å; L161-V227 WeakPolarHBondContact O-CG1 3.42Å |
| 162 | Q | 79.1 | Confident | 81.3 | Confident | 86 Ų | 86 | 41.7 Ų | 41.7 | 40% | 0.402 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.8 | -34.4 | 175.2 | -75.2 | 176.2 | -21.2 | 0 | 0 | 112.1 | E158 D159 L164 Q165 L224 | E158-Q162 WeakPolarHBondContact O-CG 3.24Å; E158-Q162 PolarHBondContact O-N 2.62Å; D159-Q162 PolarHBondContact O-N 3.25Å; Q162-L164 PolarHBondContact O-N 3.26Å; Q162-L164 VanDerWaalsContact O-N 3.16Å; Q162-Q165 WeakPolarHBondContact O-CB 3.48Å; Q162-Q165 PolarHBondContact O-N 2.81Å; Q162-L224 HydrophobicContact CG-CD2 3.9Å |
| 163 | Q | 76.8 | Confident | 80.3 | Confident | 45 Ų | 45 | 43.6 Ų | 43.6 | 21% | 0.21 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29 | 172.1 | -67.6 | -163.9 | -15.6 | 0 | 0 | 113.3 | Y150 D159 L161 Q165 | Y150-Q163 PolarHBondContact OH-OE1 2.85Å; D159-Q163 PolarHBondContact O-N 3.32Å; D159-Q163 VanDerWaalsContact O-N 3.13Å; L161-Q163 PolarHBondContact O-N 3.19Å; Q163-Q165 VanDerWaalsContact C-N 3.25Å; Q163-Q165 PolarHBondContact O-N 2.99Å |
| 164 | L | 80.4 | Confident | 79.1 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -11.6 | 179.1 | -56.2 | 177.6 | 0 | 0 | 0 | 112.8 | F138 Y150 L161 Q162 L166 F167 T168 L186 F188 I231 | F138-L164 HydrophobicContact CE1-CD2 3.55Å; F138-L164 HydrophobicContact CZ-CD2 3.69Å; Y150-L164 HydrophobicContact CD1-CD1 4.47Å; Y150-L164 HydrophobicContact CD1-CD2 4.43Å; Y150-L164 HydrophobicContact CE1-CD1 4.31Å; Y150-L164 HydrophobicContact CE1-CD2 4.26Å; Y150-L164 HydrophobicContact CE1-CG 4.33Å; L161-L164 HydrophobicContact CD2-CD1 4.35Å; L161-L164 WeakPolarHBondContact O-CA 3.35Å; L161-L164 VanDerWaalsContact O-CB 3.31Å; L161-L164 WeakPolarHBondContact O-CB 3.42Å; L161-L164 PolarHBondContact O-N 3.21Å; Q162-L164 PolarHBondContact O-N 3.26Å; Q162-L164 VanDerWaalsContact O-N 3.16Å; L164-L166 VanDerWaalsContact C-N 3.26Å; L164-L166 PolarHBondContact O-N 2.73Å; L164-F167 HydrophobicContact CD2-CD2 4.22Å; L164-F167 HydrophobicContact CD2-CE2 4.46Å; L164-F167 WeakPolarHBondContact O-CB 3.1Å; L164-F167 PolarHBondContact O-N 2.66Å; L164-T168 PolarHBondContact O-N 2.96Å; L164-L186 HydrophobicContact CD1-CD2 4.12Å; L164-F188 HydrophobicContact CD1-CE1 4.07Å; L164-F188 HydrophobicContact CD1-CZ 3.65Å; L164-I231 HydrophobicContact CD1-CD1 3.55Å |
| 165 | Q | 76.6 | Confident | 78 | Confident | 70 Ų | 70 | 39.5 Ų | 39.5 | 33% | 0.327 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.1 | -32.8 | -179.7 | -170.8 | -179.3 | -3 | 0 | 0 | 112.8 | Q162 Q163 F167 T168 V227 | Q162-Q165 WeakPolarHBondContact O-CB 3.48Å; Q162-Q165 PolarHBondContact O-N 2.81Å; Q163-Q165 VanDerWaalsContact C-N 3.25Å; Q163-Q165 PolarHBondContact O-N 2.99Å; Q165-F167 PolarHBondContact O-N 2.63Å; Q165-F167 VanDerWaalsContact O-N 3.16Å; Q165-T168 WeakPolarHBondContact CA-OG1 3.28Å; Q165-T168 PolarHBondContact O-N 3.49Å; Q165-T168 VanDerWaalsContact O-N 3.11Å; Q165-T168 PolarHBondContact O-OG1 3.4Å; Q165-V227 HydrophobicContact CB-CG2 3.69Å; Q165-V227 HydrophobicContact CG-CG2 3.84Å |
| 166 | L | 71.8 | Confident | 77 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 20% | 0.199 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.4 | -34.3 | 175.3 | -177.8 | 62.9 | 0 | 0 | 0 | 111.3 | A135 A139 L164 L315 M321 | A135-L166 HydrophobicContact CB-CD2 4.25Å; A139-L166 HydrophobicContact CB-CD2 4.2Å; L164-L166 VanDerWaalsContact C-N 3.26Å; L164-L166 PolarHBondContact O-N 2.73Å; L166-L315 HydrophobicContact CD1-CD1 4.44Å; L166-L315 HydrophobicContact CD2-CD2 4.43Å; L166-M321 HydrophobicContact CD1-CE 4.39Å |
| 167 | F | 71.8 | Confident | 75.9 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.022 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -81.1 | -28.5 | 179.9 | -55.7 | -60.5 | 0 | 0 | 0 | 113.2 | F138 A139 L164 Q165 E169 Y170 G171 F183 C234 | F138-F167 HydrophobicContact CD1-CD2 4.43Å; F138-F167 AromaticContact CD1-CE2 3.28Å; F138-F167 HydrophobicContact CD1-CE2 3.28Å; F138-F167 AromaticContact CD1-CZ 3.48Å; F138-F167 HydrophobicContact CD1-CZ 3.48Å; F138-F167 VanDerWaalsContact CD1-CZ 3.48Å; F138-F167 HydrophobicContact CE1-CD2 4.1Å; F138-F167 AromaticContact CE1-CE2 3.31Å; F138-F167 HydrophobicContact CE1-CE2 3.31Å; F138-F167 AromaticContact CE1-CZ 3.9Å; F138-F167 HydrophobicContact CE1-CZ 3.9Å; A139-F167 VanDerWaalsContact CA-CE1 3.45Å; A139-F167 VanDerWaalsContact CA-CZ 3.45Å; A139-F167 HydrophobicContact CB-CE1 3.53Å; A139-F167 HydrophobicContact CB-CZ 3.69Å; L164-F167 HydrophobicContact CD2-CD2 4.22Å; L164-F167 HydrophobicContact CD2-CE2 4.46Å; L164-F167 WeakPolarHBondContact O-CB 3.1Å; L164-F167 PolarHBondContact O-N 2.66Å; Q165-F167 PolarHBondContact O-N 2.63Å; Q165-F167 VanDerWaalsContact O-N 3.16Å; F167-E169 VanDerWaalsContact C-N 3.32Å; F167-E169 PolarHBondContact O-N 3.26Å; F167-Y170 PolarHBondContact O-N 2.9Å; F167-G171 PolarHBondContact O-N 3.24Å; F167-F183 HydrophobicContact CB-CE2 3.88Å; F167-F183 AromaticContact CD1-CE2 3.97Å; F167-F183 HydrophobicContact CD1-CE2 3.97Å; F167-F183 AromaticContact CD1-CZ 3.94Å; F167-F183 HydrophobicContact CD1-CZ 3.94Å; F167-F183 HydrophobicContact CG-CE2 4.22Å; F167-C234 PolarHBondContact O-SG 3.42Å |
| 168 | T | 72.3 | Confident | 75 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.3 | -38.1 | -177.1 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | L164 Q165 R172 H230 C234 | L164-T168 PolarHBondContact O-N 2.96Å; Q165-T168 WeakPolarHBondContact CA-OG1 3.28Å; Q165-T168 PolarHBondContact O-N 3.49Å; Q165-T168 VanDerWaalsContact O-N 3.11Å; Q165-T168 PolarHBondContact O-OG1 3.4Å; T168-R172 WeakPolarHBondContact O-CB 3.46Å; T168-R172 PolarHBondContact O-N 3.01Å; T168-H230 HydrophobicContact CG2-CB 3.69Å; T168-C234 VanDerWaalsContact CA-SG 3.53Å |
| 169 | E | 71.3 | Confident | 74.7 | Confident | 71 Ų | 71 | 49.3 Ų | 49.3 | 33% | 0.332 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -70.4 | -41.1 | 175.5 | -76 | -62.6 | 150.9 | 0 | 0 | 112.5 | F167 R172 L173 P318 | F167-E169 VanDerWaalsContact C-N 3.32Å; F167-E169 PolarHBondContact O-N 3.26Å; E169-R172 PolarHBondContact O-N 3.45Å; E169-R172 IonicContact OE1-CZ 2.99Å; E169-R172 IonicContact OE1-NH1 3.39Å; E169-R172 IonicContact OE1-NH2 3.81Å; E169-R172 PolarHBondContact OE1-NH2 3.5Å; E169-R172 IonicContact OE2-CZ 3.54Å; E169-R172 IonicContact OE2-NE 3.54Å; E169-R172 IonicContact OE2-NH2 3.62Å; E169-R172 PolarHBondContact OE2-NH2 3.3Å; E169-L173 PolarHBondContact O-N 3.4Å; E169-L173 VanDerWaalsContact O-N 3.16Å; E169-P318 HydrophobicContact CB-CG 3.85Å |
| 170 | Y | 73.3 | Confident | 74.7 | Confident | 10 Ų | 10 | 49.4 Ų | 49.4 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -43.9 | 173.9 | 176 | -106 | 0 | 0 | 0 | 112.5 | F167 R172 L173 A174 P182 F183 M321 L322 T325 | F167-Y170 PolarHBondContact O-N 2.9Å; Y170-R172 VanDerWaalsContact C-N 3.33Å; Y170-R172 PolarHBondContact O-N 2.88Å; Y170-L173 PolarHBondContact O-N 3.32Å; Y170-A174 WeakPolarHBondContact O-CB 3.41Å; Y170-A174 PolarHBondContact O-N 3.1Å; Y170-P182 HydrophobicContact CD1-CB 4.08Å; Y170-P182 HydrophobicContact CD1-CG 4.24Å; Y170-P182 HydrophobicContact CE1-CB 3.57Å; Y170-P182 HydrophobicContact CE1-CG 4.23Å; Y170-F183 HydrophobicContact CD1-CE1 4.24Å; Y170-F183 AromaticContact CD1-CE2 3.94Å; Y170-F183 HydrophobicContact CD1-CE2 3.94Å; Y170-F183 AromaticContact CD1-CZ 3.4Å; Y170-F183 HydrophobicContact CD1-CZ 3.4Å; Y170-F183 VanDerWaalsContact CD1-CZ 3.4Å; Y170-F183 AromaticContact CE1-CE1 3.93Å; Y170-F183 HydrophobicContact CE1-CE1 3.93Å; Y170-F183 HydrophobicContact CE1-CE2 4.37Å; Y170-F183 AromaticContact CE1-CZ 3.55Å; Y170-F183 HydrophobicContact CE1-CZ 3.55Å; Y170-M321 HydrophobicContact CD2-CB 3.51Å; Y170-M321 HydrophobicContact CD2-CG 4.44Å; Y170-M321 HydrophobicContact CD2-SD 4.2Å; Y170-M321 HydrophobicContact CE2-CB 3.46Å; Y170-M321 VanDerWaalsContact CE2-CB 3.46Å; Y170-M321 HydrophobicContact CG-SD 4.43Å; Y170-L322 HydrophobicContact CE2-CB 4.2Å; Y170-T325 PolarHBondContact OH-OG1 3.07Å |
| 171 | G | 68.8 | Low | 74.7 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -33.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F167 A174 M175 | F167-G171 PolarHBondContact O-N 3.24Å; G171-A174 PolarHBondContact O-N 2.96Å; G171-M175 WeakPolarHBondContact O-CB 3.47Å; G171-M175 WeakPolarHBondContact O-CG 3.18Å; G171-M175 PolarHBondContact O-N 2.87Å |
| 172 | R | 74.5 | Confident | 74.7 | Confident | 100 Ų | 100 | 53.1 Ų | 53.1 | 38% | 0.377 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.9 | -50.5 | 171.1 | -170.8 | 177.1 | 69.2 | -176.5 | 0.1 | 111.4 | T168 E169 Y170 A174 M175 D176 | T168-R172 WeakPolarHBondContact O-CB 3.46Å; T168-R172 PolarHBondContact O-N 3.01Å; E169-R172 PolarHBondContact O-N 3.45Å; E169-R172 IonicContact OE1-CZ 2.99Å; E169-R172 IonicContact OE1-NH1 3.39Å; E169-R172 IonicContact OE1-NH2 3.81Å; E169-R172 PolarHBondContact OE1-NH2 3.5Å; E169-R172 IonicContact OE2-CZ 3.54Å; E169-R172 IonicContact OE2-NE 3.54Å; E169-R172 IonicContact OE2-NH2 3.62Å; E169-R172 PolarHBondContact OE2-NH2 3.3Å; Y170-R172 VanDerWaalsContact C-N 3.33Å; Y170-R172 PolarHBondContact O-N 2.88Å; R172-A174 VanDerWaalsContact C-N 3.34Å; R172-A174 PolarHBondContact O-N 3.47Å; R172-M175 WeakPolarHBondContact O-CB 3.42Å; R172-M175 PolarHBondContact O-N 2.69Å; R172-M175 VanDerWaalsContact O-N 3.16Å; R172-D176 PolarHBondContact O-N 2.81Å |
| 173 | L | 71.3 | Confident | 75.2 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 23% | 0.225 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -40.7 | 177.5 | -69.7 | -171.5 | 0 | 0 | 0 | 113 | E169 Y170 M175 D176 E177 P318 K319 L322 | E169-L173 PolarHBondContact O-N 3.4Å; E169-L173 VanDerWaalsContact O-N 3.16Å; Y170-L173 PolarHBondContact O-N 3.32Å; L173-M175 VanDerWaalsContact C-N 3.28Å; L173-M175 PolarHBondContact O-N 3.15Å; L173-D176 PolarHBondContact O-N 2.77Å; L173-E177 PolarHBondContact O-N 3.41Å; L173-P318 HydrophobicContact CD1-CB 3.39Å; L173-P318 HydrophobicContact CG-CB 4.22Å; L173-K319 HydrophobicContact CD1-CB 4.29Å; L173-L322 HydrophobicContact CB-CD1 4.29Å |
| 174 | A | 66.9 | Low | 76 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -36.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y170 G171 R172 I178 F179 P182 | Y170-A174 WeakPolarHBondContact O-CB 3.41Å; Y170-A174 PolarHBondContact O-N 3.1Å; G171-A174 PolarHBondContact O-N 2.96Å; R172-A174 VanDerWaalsContact C-N 3.34Å; R172-A174 PolarHBondContact O-N 3.47Å; A174-I178 WeakPolarHBondContact O-CA 3.4Å; A174-I178 WeakPolarHBondContact O-CB 3.37Å; A174-I178 PolarHBondContact O-N 3.44Å; A174-F179 PolarHBondContact O-N 2.88Å; A174-P182 HydrophobicContact CB-CB 4.06Å; A174-P182 HydrophobicContact CB-CG 4.3Å |
| 175 | M | 69.6 | Low | 76.7 | Confident | 49 Ų | 49 | 49 Ų | 49 | 24% | 0.241 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.2 | -42.2 | 173.1 | -81.8 | -65.7 | -173.2 | 0 | 0 | 112.8 | G171 R172 L173 F179 K181 S233 | G171-M175 WeakPolarHBondContact O-CB 3.47Å; G171-M175 WeakPolarHBondContact O-CG 3.18Å; G171-M175 PolarHBondContact O-N 2.87Å; R172-M175 WeakPolarHBondContact O-CB 3.42Å; R172-M175 PolarHBondContact O-N 2.69Å; R172-M175 VanDerWaalsContact O-N 3.16Å; L173-M175 VanDerWaalsContact C-N 3.28Å; L173-M175 PolarHBondContact O-N 3.15Å; M175-F179 WeakPolarHBondContact O-CA 3.12Å; M175-F179 PolarHBondContact O-N 3.29Å; M175-K181 HydrophobicContact CE-CB 4Å; M175-K181 HydrophobicContact CE-CD 4.25Å; M175-K181 HydrophobicContact CE-CG 3.12Å; M175-S233 WeakPolarHBondContact CE-O 3.45Å |
| 176 | D | 73.3 | Confident | 77.6 | Confident | 105 Ų | 105 | 45.7 Ų | 45.7 | 56% | 0.561 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -70.3 | -37.8 | -177.9 | -67.2 | -20 | 0 | 0 | 0 | 112.2 | R172 L173 | R172-D176 PolarHBondContact O-N 2.81Å; L173-D176 PolarHBondContact O-N 2.77Å |
| 177 | E | 71.6 | Confident | 78.8 | Confident | 107 Ų | 107 | 44 Ų | 44 | 50% | 0.5 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -91.7 | -30.8 | -177.1 | -66.1 | -168.6 | -178.5 | 0 | 0 | 113.8 | L173 L322 | L173-E177 PolarHBondContact O-N 3.41Å; E177-L322 HydrophobicContact CB-CD1 4.1Å; E177-L322 HydrophobicContact CG-CD1 4.27Å; E177-L322 WeakPolarHBondContact OE2-CD1 3.23Å; E177-L322 WeakPolarHBondContact OE2-CD2 3.48Å |
| 178 | I | 70.8 | Confident | 80 | Confident | 32 Ų | 32 | 43.7 Ų | 43.7 | 16% | 0.164 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -123.1 | -11.7 | -167.2 | -39 | -177.4 | 0 | 0 | 0 | 112.1 | A174 Q180 N290 L322 M382 | A174-I178 WeakPolarHBondContact O-CA 3.4Å; A174-I178 WeakPolarHBondContact O-CB 3.37Å; A174-I178 PolarHBondContact O-N 3.44Å; I178-Q180 PolarHBondContact O-N 2.93Å; I178-N290 WeakPolarHBondContact CG2-OD1 3.15Å; I178-L322 HydrophobicContact CD1-CD1 4.2Å; I178-L322 HydrophobicContact CD1-CD2 4.3Å; I178-L322 HydrophobicContact CD1-CG 4.21Å; I178-M382 HydrophobicContact CD1-CE 3.35Å; I178-M382 HydrophobicContact CD1-CG 4.23Å; I178-M382 HydrophobicContact CD1-SD 3.62Å; I178-M382 HydrophobicContact CG2-CE 4.34Å |
| 179 | F | 77.8 | Confident | 81.2 | Confident | 171 Ų | 171 | 43.4 Ų | 43.4 | 75% | 0.75 | 21% | 0.205 | S | C | * | . | S | Bend | trans | 56.5 | 27.7 | -178.6 | -52.8 | -79.4 | 0 | 0 | 0 | 114 | A174 M175 | A174-F179 PolarHBondContact O-N 2.88Å; M175-F179 WeakPolarHBondContact O-CA 3.12Å; M175-F179 PolarHBondContact O-N 3.29Å |
| 180 | Q | 80.4 | Confident | 82.5 | Confident | 73 Ų | 73 | 40 Ų | 40 | 34% | 0.341 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -135.9 | 149.8 | -179.4 | -68.5 | -179.6 | 29.1 | 0 | 0 | 111.3 | I178 | I178-Q180 PolarHBondContact O-N 2.93Š|
| 181 | K | 86.8 | Confident | 83.5 | Confident | 81 Ų | 81 | 40.1 Ų | 40.1 | 35% | 0.352 | 19% | 0.189 | S | C | . | . | trans | -68.2 | 129.3 | 171.5 | -62.9 | -173.3 | 172.4 | -164.1 | 0 | 109.2 | M175 F183 H232 S233 F235 T236 | M175-K181 HydrophobicContact CE-CB 4Å; M175-K181 HydrophobicContact CE-CD 4.25Å; M175-K181 HydrophobicContact CE-CG 3.12Å; K181-F183 VanDerWaalsContact C-N 3.33Å; K181-F183 PolarHBondContact O-N 3.49Å; K181-H232 WeakPolarHBondContact CE-O 3.23Å; K181-H232 PolarHBondContact NZ-O 2.98Å; K181-S233 WeakPolarHBondContact CG-O 3.38Å; K181-F235 WeakPolarHBondContact CD-O 3.25Å; K181-F235 PolarHBondContact NZ-O 2.88Å; K181-T236 HydrophobicContact CB-CG2 3.94Å; K181-T236 HydrophobicContact CD-CG2 4.04Å; K181-T236 HydrophobicContact CG-CG2 4.48Å | ||
| 182 | P | 83.8 | Confident | 84.8 | Confident | 20 Ų | 20 | 41.6 Ų | 41.6 | 13% | 0.13 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -70.9 | -27.6 | -178.2 | 30.1 | -39.8 | 0 | 0 | 0 | 113.6 | Y170 A174 C234 | Y170-P182 HydrophobicContact CD1-CB 4.08Å; Y170-P182 HydrophobicContact CD1-CG 4.24Å; Y170-P182 HydrophobicContact CE1-CB 3.57Å; Y170-P182 HydrophobicContact CE1-CG 4.23Å; A174-P182 HydrophobicContact CB-CB 4.06Å; A174-P182 HydrophobicContact CB-CG 4.3Å; P182-C234 WeakPolarHBondContact CD-O 3.23Å |
| 183 | F | 90.1 | Very high | 85.9 | Confident | 5 Ų | 5 | 37 Ų | 37 | 2% | 0.022 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 154.3 | -173.3 | -49.2 | -54.4 | 0 | 0 | 0 | 111.6 | T142 M143 F167 Y170 K181 C234 F235 T236 | T142-F183 HydrophobicContact CG2-CD1 4.13Å; T142-F183 HydrophobicContact CG2-CD2 4.37Å; T142-F183 HydrophobicContact CG2-CE1 4.3Å; T142-F183 HydrophobicContact CG2-CG 4.17Å; T142-F183 HydrophobicContact CG2-CZ 4.49Å; M143-F183 HydrophobicContact CB-CE1 4.38Å; M143-F183 HydrophobicContact CG-CE1 3.79Å; M143-F183 HydrophobicContact CG-CZ 4.26Å; F167-F183 HydrophobicContact CB-CE2 3.88Å; F167-F183 AromaticContact CD1-CE2 3.97Å; F167-F183 HydrophobicContact CD1-CE2 3.97Å; F167-F183 AromaticContact CD1-CZ 3.94Å; F167-F183 HydrophobicContact CD1-CZ 3.94Å; F167-F183 HydrophobicContact CG-CE2 4.22Å; Y170-F183 HydrophobicContact CD1-CE1 4.24Å; Y170-F183 AromaticContact CD1-CE2 3.94Å; Y170-F183 HydrophobicContact CD1-CE2 3.94Å; Y170-F183 AromaticContact CD1-CZ 3.4Å; Y170-F183 HydrophobicContact CD1-CZ 3.4Å; Y170-F183 VanDerWaalsContact CD1-CZ 3.4Å; Y170-F183 AromaticContact CE1-CE1 3.93Å; Y170-F183 HydrophobicContact CE1-CE1 3.93Å; Y170-F183 HydrophobicContact CE1-CE2 4.37Å; Y170-F183 AromaticContact CE1-CZ 3.55Å; Y170-F183 HydrophobicContact CE1-CZ 3.55Å; K181-F183 VanDerWaalsContact C-N 3.33Å; K181-F183 PolarHBondContact O-N 3.49Å; F183-C234 WeakPolarHBondContact CB-O 3.23Å; F183-C234 HydrophobicContact CD2-CB 4.05Å; F183-C234 HydrophobicContact CE2-CB 4.49Å; F183-C234 PolarHBondContact N-O 2.79Å; F183-F235 HydrophobicContact CB-CD1 3.31Å; F183-F235 HydrophobicContact CB-CE1 3.38Å; F183-F235 HydrophobicContact CB-CG 4.1Å; F183-F235 HydrophobicContact CB-CZ 4.21Å; F183-F235 HydrophobicContact CD2-CD1 4.3Å; F183-F235 AromaticContact CD2-CE1 3.84Å; F183-F235 HydrophobicContact CD2-CE1 3.84Å; F183-F235 HydrophobicContact CD2-CE2 4.2Å; F183-F235 AromaticContact CD2-CZ 3.78Å; F183-F235 HydrophobicContact CD2-CZ 3.78Å; F183-F235 HydrophobicContact CG-CD1 4.18Å; F183-F235 AromaticContact CG-CE1 3.8Å; F183-F235 HydrophobicContact CG-CE1 3.8Å; F183-F235 HydrophobicContact CG-CZ 4.21Å; F183-F235 WeakPolarHBondContact O-CA 3.49Å; F183-T236 PolarHBondContact O-N 2.9Å |
| 184 | Q | 93.6 | Very high | 87.1 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -92.9 | -176.2 | -66.4 | 174.6 | -71.8 | 0 | 0 | 110.9 | S146 T236 K237 E286 E288 | S146-Q184 VanDerWaalsContact CA-OE1 3.32Å; S146-Q184 WeakPolarHBondContact O-CB 3Å; Q184-T236 VanDerWaalsContact C-OG1 3.3Å; Q184-T236 VanDerWaalsContact CA-OG1 3.29Å; Q184-T236 WeakPolarHBondContact CA-OG1 3.45Å; Q184-T236 PolarHBondContact O-N 2.78Å; Q184-T236 PolarHBondContact O-OG1 3.18Å; Q184-K237 PolarHBondContact O-N 3.14Å; Q184-E286 PolarHBondContact NE2-O 2.98Å; Q184-E286 PolarHBondContact OE1-O 2.99Å; Q184-E288 VanDerWaalsContact OE1-N 3.11Å |
| 185 | S | 95.3 | Very high | 88.5 | Confident | 19 Ų | 19 | 42 Ų | 42 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 124.8 | -173.6 | -169.7 | 0 | 0 | 0 | 0 | 112.3 | S146 Q148 K237 | S146-S185 PolarHBondContact O-N 3.33Å; S146-S185 VanDerWaalsContact O-N 3.13Å; Q148-S185 PolarHBondContact N-O 3.31Å; S185-K237 CarbonylContact C-O 3.4Å; S185-K237 WeakPolarHBondContact CA-O 2.87Å |
| 186 | L | 95.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.4 | 163.9 | 179.9 | 63.6 | 0 | 0 | 0 | 109.4 | Q148 L164 F188 I231 F235 K237 I238 S239 | Q148-L186 HydrophobicContact CB-CD1 4.17Å; Q148-L186 HydrophobicContact CG-CD1 4.01Å; Q148-L186 WeakPolarHBondContact O-CA 3.39Å; L164-L186 HydrophobicContact CD1-CD2 4.12Å; L186-F188 HydrophobicContact CD2-CE2 3.72Å; L186-F188 HydrophobicContact CD2-CZ 3.96Å; L186-F188 HydrophobicContact CG-CD2 4.49Å; L186-F188 HydrophobicContact CG-CE2 4.13Å; L186-I231 HydrophobicContact CD2-CD1 4.08Å; L186-F235 HydrophobicContact CB-CB 4.39Å; L186-F235 HydrophobicContact CB-CD1 3.56Å; L186-F235 HydrophobicContact CB-CD2 4.14Å; L186-F235 HydrophobicContact CB-CE1 3.77Å; L186-F235 HydrophobicContact CB-CE2 4.34Å; L186-F235 HydrophobicContact CB-CG 3.76Å; L186-F235 HydrophobicContact CB-CZ 4.16Å; L186-F235 HydrophobicContact CD1-CZ 4.48Å; L186-F235 HydrophobicContact CD2-CD2 4Å; L186-F235 HydrophobicContact CD2-CE1 4.49Å; L186-F235 HydrophobicContact CD2-CE2 3.77Å; L186-F235 HydrophobicContact CD2-CG 4.48Å; L186-F235 HydrophobicContact CD2-CZ 4.03Å; L186-F235 HydrophobicContact CG-CE1 4.49Å; L186-F235 HydrophobicContact CG-CZ 4.46Å; L186-K237 PolarHBondContact N-O 3.28Å; L186-I238 WeakPolarHBondContact O-CA 3.05Å; L186-S239 PolarHBondContact O-N 2.71Å |
| 187 | M | 96.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 115.2 | 174.3 | -173.2 | -175.4 | 77.3 | 0 | 0 | 110.3 | Q148 I149 Y150 L189 F203 S239 F241 L274 L278 | Q148-M187 PolarHBondContact O-N 3.49Å; I149-M187 CarbonylContact C-O 3.56Å; I149-M187 WeakPolarHBondContact CA-O 3.4Å; I149-M187 HydrophobicContact CB-CE 4.22Å; I149-M187 HydrophobicContact CD1-CE 3.88Å; I149-M187 HydrophobicContact CG1-CE 3.68Å; I149-M187 HydrophobicContact CG2-CE 3.7Å; Y150-M187 PolarHBondContact N-O 2.99Å; M187-L189 HydrophobicContact CE-CB 4.16Å; M187-L189 PolarHBondContact O-N 3.34Å; M187-F203 HydrophobicContact CG-CE1 4.46Å; M187-F203 HydrophobicContact SD-CE1 3.73Å; M187-F203 HydrophobicContact SD-CZ 3.92Å; M187-S239 CarbonylContact C-O 3.59Å; M187-S239 VanDerWaalsContact CA-O 3.32Å; M187-S239 WeakPolarHBondContact CA-O 3.45Å; M187-F241 HydrophobicContact SD-CB 4.43Å; M187-L274 HydrophobicContact CE-CD1 4Å; M187-L274 HydrophobicContact SD-CD1 4.12Å; M187-L278 HydrophobicContact CE-CD1 4.01Å; M187-L278 HydrophobicContact CE-CD2 4.25Å; M187-L278 HydrophobicContact SD-CD2 3.86Å |
| 188 | F | 97.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 115.8 | 167.4 | -67.9 | -94.8 | 0 | 0 | 0 | 108.8 | Y150 L152 I156 L161 L164 L186 L210 I231 I238 S239 C240 F241 | Y150-F188 AromaticContact CD1-CD1 3.85Å; Y150-F188 HydrophobicContact CD1-CD1 3.85Å; Y150-F188 AromaticContact CD1-CE1 3.64Å; Y150-F188 HydrophobicContact CD1-CE1 3.64Å; Y150-F188 HydrophobicContact CD1-CZ 4.47Å; Y150-F188 HydrophobicContact CE1-CE1 4.09Å; L152-F188 HydrophobicContact CD1-CD1 3.72Å; L152-F188 HydrophobicContact CD1-CE1 4.33Å; I156-F188 HydrophobicContact CD1-CB 4.1Å; I156-F188 HydrophobicContact CD1-CD1 3.86Å; I156-F188 HydrophobicContact CD1-CG 4.06Å; I156-F188 HydrophobicContact CG1-CD1 4.23Å; I156-F188 HydrophobicContact CG2-CE1 4.38Å; L161-F188 HydrophobicContact CD2-CE1 4.17Å; L161-F188 HydrophobicContact CD2-CZ 4.19Å; L164-F188 HydrophobicContact CD1-CE1 4.07Å; L164-F188 HydrophobicContact CD1-CZ 3.65Å; L186-F188 HydrophobicContact CD2-CE2 3.72Å; L186-F188 HydrophobicContact CD2-CZ 3.96Å; L186-F188 HydrophobicContact CG-CD2 4.49Å; L186-F188 HydrophobicContact CG-CE2 4.13Å; F188-L210 HydrophobicContact CD2-CD1 3.65Å; F188-L210 HydrophobicContact CD2-CD2 3.88Å; F188-L210 HydrophobicContact CD2-CG 4.45Å; F188-L210 HydrophobicContact CE2-CD1 3.87Å; F188-L210 HydrophobicContact CE2-CD2 4.29Å; F188-L210 HydrophobicContact CG-CD1 4Å; F188-L210 HydrophobicContact CZ-CD1 4.38Å; F188-I231 HydrophobicContact CE2-CD1 4.31Å; F188-I231 HydrophobicContact CZ-CD1 4.02Å; F188-I238 HydrophobicContact CD2-CG2 4.19Å; F188-I238 HydrophobicContact CE2-CG2 3.88Å; F188-S239 PolarHBondContact N-O 3.31Å; F188-C240 HydrophobicContact CB-CB 4.01Å; F188-C240 CarbonylContact O-C 3.51Å; F188-C240 VanDerWaalsContact O-CA 3.22Å; F188-C240 WeakPolarHBondContact O-CA 3.4Å; F188-F241 PolarHBondContact O-N 2.88Å |
| 189 | L | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 102 | 173 | 177.2 | 63.9 | 0 | 0 | 0 | 108.6 | L57 I149 Y150 L152 M187 R191 F241 L243 L274 | L57-L189 HydrophobicContact CD2-CD2 3.29Å; I149-L189 HydrophobicContact CG2-CB 3.79Å; I149-L189 HydrophobicContact CG2-CD2 4Å; Y150-L189 PolarHBondContact O-N 3.33Å; L152-L189 PolarHBondContact N-O 3.33Å; M187-L189 HydrophobicContact CE-CB 4.16Å; M187-L189 PolarHBondContact O-N 3.34Å; L189-R191 PolarHBondContact O-N 3.48Å; L189-F241 HydrophobicContact CD1-CB 4.05Å; L189-F241 HydrophobicContact CD1-CD1 3.81Å; L189-F241 HydrophobicContact CD1-CG 4.29Å; L189-L243 HydrophobicContact CD1-CB 4.1Å; L189-L243 HydrophobicContact CD1-CD2 4.43Å; L189-L274 HydrophobicContact CD1-CD2 3.89Å; L189-L274 HydrophobicContact CD2-CD2 4.45Å |
| 190 | V | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 108.2 | 178.9 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | Q154 I156 W193 F241 L242 L243 | Q154-V190 VanDerWaalsContact O-CG1 3.29Å; Q154-V190 WeakPolarHBondContact O-CG1 3.46Å; I156-V190 HydrophobicContact CD1-CG2 4.22Å; I156-V190 HydrophobicContact CG1-CG2 3.88Å; V190-W193 HydrophobicContact CG1-CE3 4.07Å; V190-F241 PolarHBondContact N-O 3.03Å; V190-L242 HydrophobicContact CB-CD2 3.74Å; V190-L242 HydrophobicContact CG1-CD2 4.36Å; V190-L242 HydrophobicContact CG2-CD2 3.85Å; V190-L243 PolarHBondContact O-N 2.85Å |
| 191 | R | 96 | Very high | 95 | Very high | 11 Ų | 11 | 41 Ų | 41 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 154.8 | 177.2 | -55.1 | -61.6 | -66.1 | -89.5 | -0 | 110.5 | K52 G53 N151 L152 Q154 L189 W193 L243 | K52-R191 PolarHBondContact O-NH1 3.48Å; G53-R191 PolarHBondContact O-NH1 2.87Å; N151-R191 VanDerWaalsContact OD1-CD 3.28Å; N151-R191 WeakPolarHBondContact OD1-CD 2.98Å; N151-R191 VanDerWaalsContact OD1-CG 3.24Å; N151-R191 WeakPolarHBondContact OD1-CG 3.34Å; N151-R191 PolarHBondContact OD1-NH1 3.29Å; L152-R191 VanDerWaalsContact O-CB 3.27Å; L152-R191 WeakPolarHBondContact O-CB 3.41Å; L152-R191 VanDerWaalsContact O-CG 3.29Å; L152-R191 WeakPolarHBondContact O-CG 3.49Å; L152-R191 PolarHBondContact O-N 2.94Å; Q154-R191 WeakPolarHBondContact CA-O 3.41Å; Q154-R191 PolarHBondContact N-O 2.84Å; L189-R191 PolarHBondContact O-N 3.48Å; R191-W193 PolarHBondContact O-N 2.94Å; R191-W193 VanDerWaalsContact O-N 3.15Å; R191-L243 CarbonylContact C-O 3.46Å |
| 192 | D | 95.6 | Very high | 95.5 | Very high | 32 Ų | 32 | 37.4 Ų | 37.4 | 17% | 0.171 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 35.4 | 173.3 | -50.7 | -24 | 0 | 0 | 0 | 113.2 | Q154 S194 L243 H245 P246 | Q154-D192 HydrophobicContact CG-CB 4.22Å; D192-S194 PolarHBondContact O-N 3.36Å; D192-S194 PolarHBondContact O-OG 3.41Å; D192-L243 PolarHBondContact N-O 3.38Å; D192-L243 VanDerWaalsContact N-O 3.11Å; D192-H245 HydrophobicContact CB-CB 4.32Å; D192-H245 VanDerWaalsContact CG-CD2 3.45Å; D192-H245 WeakPolarHBondContact OD1-CA 3.3Å; D192-H245 IonicContact OD1-CD2 3.2Å; D192-H245 PolarHBondContact OD1-CD2 3.11Å; D192-H245 IonicContact OD1-CG 2.77Å; D192-H245 IonicContact OD2-CD2 2.81Å; D192-P246 WeakPolarHBondContact OD1-CD 3.41Å |
| 193 | W | 97.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | trans | -60.2 | 122.4 | 178.1 | 178.2 | -110.7 | 0 | 0 | 0 | 110 | Q154 V190 R191 F195 Y199 Y201 F209 L242 L243 | Q154-W193 VanDerWaalsContact O-CE3 3.26Å; V190-W193 HydrophobicContact CG1-CE3 4.07Å; R191-W193 PolarHBondContact O-N 2.94Å; R191-W193 VanDerWaalsContact O-N 3.15Å; W193-F195 HydrophobicContact CE3-CD2 4.29Å; W193-F195 HydrophobicContact CH2-CB 4.24Å; W193-F195 AromaticContact CH2-CD2 3.74Å; W193-F195 HydrophobicContact CH2-CD2 3.74Å; W193-F195 HydrophobicContact CH2-CG 4.48Å; W193-F195 HydrophobicContact CZ2-CB 3.64Å; W193-F195 AromaticContact CZ2-CD2 4Å; W193-F195 HydrophobicContact CZ2-CD2 4Å; W193-F195 HydrophobicContact CZ2-CG 4.33Å; W193-F195 AromaticContact CZ3-CD2 3.89Å; W193-F195 HydrophobicContact CZ3-CD2 3.89Å; W193-F195 PolarHBondContact NE1-O 3.35Å; W193-F195 VanDerWaalsContact NE1-O 3.11Å; W193-Y199 HydrophobicContact CH2-CD2 4.34Å; W193-Y199 AromaticContact CZ2-CD2 3.96Å; W193-Y199 HydrophobicContact CZ2-CD2 3.96Å; W193-Y199 HydrophobicContact CZ2-CG 4.47Å; W193-Y199 PolarHBondContact NE1-O 3.1Å; W193-Y201 HydrophobicContact CB-CD1 4.35Å; W193-Y201 HydrophobicContact CB-CE1 3.94Å; W193-Y201 AromaticContact CD1-CD1 3.73Å; W193-Y201 AromaticContact CD1-CE1 3.49Å; W193-Y201 VanDerWaalsContact CD1-CE1 3.49Å; W193-Y201 HydrophobicContact CG-CD1 4.43Å; W193-Y201 HydrophobicContact CG-CE1 4.1Å; W193-Y201 VanDerWaalsContact O-CE1 3.29Å; W193-Y201 WeakPolarHBondContact O-CE1 3.3Å; W193-Y201 PolarHBondContact O-OH 3.03Å; W193-Y201 VanDerWaalsContact O-OH 3.04Å; W193-F209 AromaticContact CH2-CD2 3.85Å; W193-F209 HydrophobicContact CH2-CD2 3.85Å; W193-F209 AromaticContact CH2-CE2 3.77Å; W193-F209 HydrophobicContact CH2-CE2 3.77Å; W193-F209 HydrophobicContact CH2-CG 4.38Å; W193-F209 HydrophobicContact CH2-CZ 4.24Å; W193-F209 HydrophobicContact CZ3-CD2 4.44Å; W193-F209 HydrophobicContact CZ3-CE1 4.39Å; W193-F209 HydrophobicContact CZ3-CE2 4.09Å; W193-F209 HydrophobicContact CZ3-CZ 4.09Å; W193-L242 HydrophobicContact CB-CB 4.11Å; W193-L242 HydrophobicContact CD2-CB 4.49Å; W193-L242 HydrophobicContact CD2-CD1 4.09Å; W193-L242 HydrophobicContact CD2-CD2 4.16Å; W193-L242 HydrophobicContact CD2-CG 4.45Å; W193-L242 HydrophobicContact CE3-CD2 4.23Å; W193-L242 HydrophobicContact CG-CB 3.92Å; W193-L242 HydrophobicContact CG-CD1 4.24Å; W193-L242 HydrophobicContact CG-CD2 4.39Å; W193-L242 HydrophobicContact CG-CG 4.38Å; W193-L242 HydrophobicContact CZ2-CD1 4.22Å; W193-L243 PolarHBondContact N-O 2.97Å | ||
| 194 | S | 95.9 | Very high | 96.4 | Very high | 67 Ų | 67 | 46.1 Ų | 46.1 | 47% | 0.469 | 22% | 0.22 | S | C | . | . | trans | -107.4 | -0.7 | -168.5 | -62.6 | 0 | 0 | 0 | 0 | 113.5 | D192 P196 | D192-S194 PolarHBondContact O-N 3.36Å; D192-S194 PolarHBondContact O-OG 3.41Å; S194-P196 WeakPolarHBondContact O-CD 3.34Å | ||
| 195 | F | 96.5 | Very high | 96.6 | Very high | 83 Ų | 83 | 45.2 Ų | 45.2 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | trans | -122.7 | 53.3 | -173.8 | -42.1 | -65.8 | 0 | 0 | 0 | 112.8 | W193 Y197 E198 Y199 | W193-F195 HydrophobicContact CE3-CD2 4.29Å; W193-F195 HydrophobicContact CH2-CB 4.24Å; W193-F195 AromaticContact CH2-CD2 3.74Å; W193-F195 HydrophobicContact CH2-CD2 3.74Å; W193-F195 HydrophobicContact CH2-CG 4.48Å; W193-F195 HydrophobicContact CZ2-CB 3.64Å; W193-F195 AromaticContact CZ2-CD2 4Å; W193-F195 HydrophobicContact CZ2-CD2 4Å; W193-F195 HydrophobicContact CZ2-CG 4.33Å; W193-F195 AromaticContact CZ3-CD2 3.89Å; W193-F195 HydrophobicContact CZ3-CD2 3.89Å; W193-F195 PolarHBondContact NE1-O 3.35Å; W193-F195 VanDerWaalsContact NE1-O 3.11Å; F195-Y197 HydrophobicContact CB-CE1 4.44Å; F195-Y197 HydrophobicContact CB-CE2 4.42Å; F195-Y197 HydrophobicContact CD1-CE1 4.34Å; F195-Y197 AromaticContact CD1-CZ 3.87Å; F195-Y197 VanDerWaalsContact CD1-OH 3.28Å; F195-Y197 WeakPolarHBondContact CD1-OH 3.47Å; F195-Y197 PolarHBondContact O-N 3.03Å; F195-Y197 VanDerWaalsContact O-N 3.12Å; F195-E198 HydrophobicContact CB-CB 4.44Å; F195-E198 PolarHBondContact O-N 3.3Å; F195-Y199 PolarHBondContact O-N 2.72Å; F195-Y199 VanDerWaalsContact O-N 3.14Å | ||
| 196 | P | 95.3 | Very high | 96.7 | Very high | 39 Ų | 39 | 44.3 Ų | 44.3 | 25% | 0.253 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -21.6 | -179.3 | 27.5 | -35.1 | 0 | 0 | 0 | 113.2 | S194 E198 Y199 N200 Y201 | S194-P196 WeakPolarHBondContact O-CD 3.34Å; P196-E198 VanDerWaalsContact C-N 3.35Å; P196-Y199 VanDerWaalsContact CA-O 3.29Å; P196-Y199 WeakPolarHBondContact CA-O 2.98Å; P196-Y199 CarbonylContact O-C 3.54Å; P196-N200 WeakPolarHBondContact O-CA 3.42Å; P196-N200 PolarHBondContact O-N 2.84Å; P196-N200 PolarHBondContact O-OD1 3.04Å; P196-N200 VanDerWaalsContact O-OD1 3.14Å; P196-Y201 HydrophobicContact CB-CD2 4.07Å; P196-Y201 HydrophobicContact CB-CE1 4.14Å; P196-Y201 HydrophobicContact CB-CE2 3.61Å; P196-Y201 HydrophobicContact CG-CE2 3.97Å |
| 197 | Y | 95.1 | Very high | 96.8 | Very high | 187 Ų | 187 | 47 Ų | 47 | 73% | 0.733 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -20 | 176.4 | 55.4 | -100.8 | 0 | 0 | 0 | 113.9 | F195 | F195-Y197 HydrophobicContact CB-CE1 4.44Å; F195-Y197 HydrophobicContact CB-CE2 4.42Å; F195-Y197 HydrophobicContact CD1-CE1 4.34Å; F195-Y197 AromaticContact CD1-CZ 3.87Å; F195-Y197 VanDerWaalsContact CD1-OH 3.28Å; F195-Y197 WeakPolarHBondContact CD1-OH 3.47Å; F195-Y197 PolarHBondContact O-N 3.03Å; F195-Y197 VanDerWaalsContact O-N 3.12Å |
| 198 | E | 96.1 | Very high | 96.8 | Very high | 100 Ų | 100 | 51.4 Ų | 51.4 | 47% | 0.467 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -49 | 172.2 | -167.5 | -172.4 | 172.9 | 0 | 0 | 110.1 | F195 P196 K212 | F195-E198 HydrophobicContact CB-CB 4.44Å; F195-E198 PolarHBondContact O-N 3.3Å; P196-E198 VanDerWaalsContact C-N 3.35Å; E198-K212 IonicContact OE1-NZ 2.74Å; E198-K212 PolarHBondContact OE1-NZ 3.39Å |
| 199 | Y | 97.6 | Very high | 96.8 | Very high | 30 Ų | 30 | 51.7 Ų | 51.7 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -133.2 | 115.8 | 175.7 | -62.4 | -78.4 | 0 | 0 | 0 | 109.5 | W193 F195 P196 Q208 F209 K212 | W193-Y199 HydrophobicContact CH2-CD2 4.34Å; W193-Y199 AromaticContact CZ2-CD2 3.96Å; W193-Y199 HydrophobicContact CZ2-CD2 3.96Å; W193-Y199 HydrophobicContact CZ2-CG 4.47Å; W193-Y199 PolarHBondContact NE1-O 3.1Å; F195-Y199 PolarHBondContact O-N 2.72Å; F195-Y199 VanDerWaalsContact O-N 3.14Å; P196-Y199 VanDerWaalsContact CA-O 3.29Å; P196-Y199 WeakPolarHBondContact CA-O 2.98Å; P196-Y199 CarbonylContact O-C 3.54Å; Y199-Q208 HydrophobicContact CD1-CB 3.94Å; Y199-Q208 HydrophobicContact CE1-CB 3.96Å; Y199-F209 HydrophobicContact CD1-CB 4.01Å; Y199-F209 HydrophobicContact CD2-CB 4.02Å; Y199-F209 AromaticContact CD2-CD2 3.73Å; Y199-F209 HydrophobicContact CD2-CD2 3.73Å; Y199-F209 HydrophobicContact CD2-CG 4.29Å; Y199-F209 HydrophobicContact CE1-CB 4.38Å; Y199-F209 HydrophobicContact CE2-CB 4.37Å; Y199-F209 AromaticContact CE2-CD2 3.78Å; Y199-F209 HydrophobicContact CE2-CD2 3.78Å; Y199-F209 HydrophobicContact CG-CB 3.84Å; Y199-F209 HydrophobicContact CG-CD2 4.41Å; Y199-K212 WeakPolarHBondContact OH-CD 3.47Å; Y199-K212 PolarHBondContact OH-NZ 3.01Å |
| 200 | N | 97.4 | Very high | 96.7 | Very high | 112 Ų | 112 | 52.1 Ų | 52.1 | 60% | 0.599 | 25% | 0.248 | S | C | * | . | trans | -56.5 | 153.7 | 179.7 | -65.3 | -17.4 | 0 | 0 | 0 | 111.8 | P196 G205 | P196-N200 WeakPolarHBondContact O-CA 3.42Å; P196-N200 PolarHBondContact O-N 2.84Å; P196-N200 PolarHBondContact O-OD1 3.04Å; P196-N200 VanDerWaalsContact O-OD1 3.14Å; N200-G205 VanDerWaalsContact O-CA 3.32Å; N200-G205 WeakPolarHBondContact O-CA 3.39Å | ||
| 201 | Y | 98.1 | Very high | 96.6 | Very high | 49 Ų | 49 | 59 Ų | 59 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -57.8 | 159.4 | 171.8 | -62 | -54.1 | 0 | 0 | 0 | 113 | W193 P196 P244 E270 | W193-Y201 HydrophobicContact CB-CD1 4.35Å; W193-Y201 HydrophobicContact CB-CE1 3.94Å; W193-Y201 AromaticContact CD1-CD1 3.73Å; W193-Y201 AromaticContact CD1-CE1 3.49Å; W193-Y201 VanDerWaalsContact CD1-CE1 3.49Å; W193-Y201 HydrophobicContact CG-CD1 4.43Å; W193-Y201 HydrophobicContact CG-CE1 4.1Å; W193-Y201 VanDerWaalsContact O-CE1 3.29Å; W193-Y201 WeakPolarHBondContact O-CE1 3.3Å; W193-Y201 PolarHBondContact O-OH 3.03Å; W193-Y201 VanDerWaalsContact O-OH 3.04Å; P196-Y201 HydrophobicContact CB-CD2 4.07Å; P196-Y201 HydrophobicContact CB-CE1 4.14Å; P196-Y201 HydrophobicContact CB-CE2 3.61Å; P196-Y201 HydrophobicContact CG-CE2 3.97Å; Y201-P244 HydrophobicContact CD1-CB 4.17Å; Y201-P244 HydrophobicContact CD2-CB 4.37Å; Y201-P244 HydrophobicContact CE1-CB 3.69Å; Y201-P244 HydrophobicContact CE2-CB 3.92Å; Y201-E270 HydrophobicContact CG-CG 4.45Å |
| 202 | G | 97.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 63.1 Ų | 63.1 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | 86.9 | -168.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | K204 G206 L242 E270 | G202-K204 PolarHBondContact O-N 2.79Å; G202-G206 PolarHBondContact O-N 3.11Å; G202-G206 VanDerWaalsContact O-N 3.11Å; G202-L242 PolarHBondContact N-O 3.04Å; G202-L242 PolarHBondContact O-N 2.76Å; G202-E270 WeakPolarHBondContact CA-OE2 3.17Å; G202-E270 PolarHBondContact N-OE2 2.94Å |
| 203 | F | 97 | Very high | 96.2 | Very high | 48 Ų | 48 | 65.8 Ų | 65.8 | 21% | 0.211 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.5 | -36.1 | -175.4 | -78.2 | -71 | 0 | 0 | 0 | 113.9 | M187 G206 N207 C240 F241 L274 R277 | M187-F203 HydrophobicContact CG-CE1 4.46Å; M187-F203 HydrophobicContact SD-CE1 3.73Å; M187-F203 HydrophobicContact SD-CZ 3.92Å; F203-G206 PolarHBondContact O-N 2.86Å; F203-N207 WeakPolarHBondContact O-CB 3.36Å; F203-N207 VanDerWaalsContact O-CG 3.23Å; F203-N207 PolarHBondContact O-N 2.84Å; F203-N207 PolarHBondContact O-ND2 3.06Å; F203-C240 WeakPolarHBondContact CA-O 3.29Å; F203-F241 HydrophobicContact CB-CD2 4.41Å; F203-F241 HydrophobicContact CD1-CB 4.29Å; F203-F241 AromaticContact CD1-CD2 3.9Å; F203-F241 HydrophobicContact CD1-CD2 3.9Å; F203-F241 AromaticContact CD2-CD2 3.41Å; F203-F241 HydrophobicContact CD2-CD2 3.41Å; F203-F241 VanDerWaalsContact CD2-CD2 3.41Å; F203-F241 AromaticContact CD2-CE2 3.66Å; F203-F241 HydrophobicContact CD2-CE2 3.66Å; F203-F241 HydrophobicContact CE1-CB 4.15Å; F203-F241 AromaticContact CE1-CD2 3.92Å; F203-F241 HydrophobicContact CE1-CD2 3.92Å; F203-F241 AromaticContact CE2-CD2 3.4Å; F203-F241 HydrophobicContact CE2-CD2 3.4Å; F203-F241 AromaticContact CE2-CE2 3.7Å; F203-F241 HydrophobicContact CE2-CE2 3.7Å; F203-F241 AromaticContact CG-CD2 3.66Å; F203-F241 HydrophobicContact CG-CD2 3.66Å; F203-F241 HydrophobicContact CG-CE2 4.28Å; F203-F241 AromaticContact CZ-CD2 3.68Å; F203-F241 HydrophobicContact CZ-CD2 3.68Å; F203-F241 HydrophobicContact CZ-CE2 4.39Å; F203-L274 HydrophobicContact CE2-CD1 4.18Å; F203-L274 HydrophobicContact CZ-CD1 3.87Å; F203-R277 HydrophobicContact CD2-CG 4.15Å; F203-R277 HydrophobicContact CE2-CB 3.78Å; F203-R277 HydrophobicContact CE2-CG 3.41Å; F203-R277 VanDerWaalsContact CE2-CG 3.41Å; F203-R277 HydrophobicContact CZ-CB 4.37Å; F203-R277 HydrophobicContact CZ-CG 3.86Å |
| 204 | K | 96.4 | Very high | 95.9 | Very high | 161 Ų | 161 | 66.3 Ų | 66.3 | 70% | 0.7 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.3 | -51.7 | -173.8 | -176 | 178.9 | 176 | -177.5 | 0 | 111.2 | G202 Q208 | G202-K204 PolarHBondContact O-N 2.79Å; K204-Q208 WeakPolarHBondContact O-CG 3.25Å; K204-Q208 PolarHBondContact O-N 3.43Å |
| 205 | G | 97 | Very high | 95.7 | Very high | 2 Ų | 2 | 68.8 Ų | 68.8 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.9 | -35.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | N200 Q208 F209 | N200-G205 VanDerWaalsContact O-CA 3.32Å; N200-G205 WeakPolarHBondContact O-CA 3.39Å; G205-Q208 PolarHBondContact O-N 3.16Å; G205-F209 VanDerWaalsContact O-CB 3.31Å; G205-F209 WeakPolarHBondContact O-CB 3.42Å; G205-F209 PolarHBondContact O-N 3.39Å |
| 206 | G | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | G202 F203 Q208 F209 L210 C240 L242 | G202-G206 PolarHBondContact O-N 3.11Å; G202-G206 VanDerWaalsContact O-N 3.11Å; F203-G206 PolarHBondContact O-N 2.86Å; G206-Q208 PolarHBondContact O-N 3.11Å; G206-F209 PolarHBondContact O-N 3.08Å; G206-L210 WeakPolarHBondContact O-CB 3.36Å; G206-L210 PolarHBondContact O-N 3.11Å; G206-C240 VanDerWaalsContact C-CB 3.48Å; G206-C240 WeakPolarHBondContact CA-O 3.42Å; G206-C240 VanDerWaalsContact CA-SG 3.59Å; G206-C240 VanDerWaalsContact O-CB 3.24Å; G206-C240 WeakPolarHBondContact O-CB 3.47Å; G206-C240 PolarHBondContact O-SG 3.2Å; G206-C240 VanDerWaalsContact O-SG 3.35Å; G206-L242 VanDerWaalsContact CA-CG 3.48Å |
| 207 | N | 97.1 | Very high | 94.9 | Very high | 55 Ų | 55 | 70.8 Ų | 70.8 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 178.1 | -69.2 | -23.9 | 0 | 0 | 0 | 112 | F203 F209 L210 E211 S239 C240 | F203-N207 WeakPolarHBondContact O-CB 3.36Å; F203-N207 VanDerWaalsContact O-CG 3.23Å; F203-N207 PolarHBondContact O-N 2.84Å; F203-N207 PolarHBondContact O-ND2 3.06Å; N207-F209 VanDerWaalsContact C-N 3.34Å; N207-F209 PolarHBondContact O-N 3.34Å; N207-L210 PolarHBondContact O-N 2.8Å; N207-E211 WeakPolarHBondContact O-CG 3.45Å; N207-E211 PolarHBondContact O-N 3.05Å; N207-S239 WeakPolarHBondContact OD1-CA 3.37Å; N207-C240 PolarHBondContact OD1-N 3.44Å; N207-C240 PolarHBondContact OD1-O 3.07Å |
| 208 | Q | 97.4 | Very high | 94.4 | Very high | 96 Ų | 96 | 71 Ų | 71 | 45% | 0.449 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 175.4 | -69.7 | 176.5 | -13 | 0 | 0 | 112.1 | Y199 K204 G205 G206 K212 | Y199-Q208 HydrophobicContact CD1-CB 3.94Å; Y199-Q208 HydrophobicContact CE1-CB 3.96Å; K204-Q208 WeakPolarHBondContact O-CG 3.25Å; K204-Q208 PolarHBondContact O-N 3.43Å; G205-Q208 PolarHBondContact O-N 3.16Å; G206-Q208 PolarHBondContact O-N 3.11Å; Q208-K212 PolarHBondContact O-N 3.1Å |
| 209 | F | 97.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 71.3 Ų | 71.3 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64 | -42.9 | 175.7 | 172.9 | -107 | 0 | 0 | 0 | 111.5 | N155 I156 W193 Y199 G205 G206 N207 K212 R213 L242 | N155-F209 WeakPolarHBondContact OD1-CZ 3.38Å; I156-F209 HydrophobicContact CB-CE1 4.3Å; I156-F209 HydrophobicContact CD1-CD1 4.23Å; I156-F209 HydrophobicContact CD1-CE1 3.74Å; I156-F209 HydrophobicContact CG1-CE1 3.89Å; W193-F209 AromaticContact CH2-CD2 3.85Å; W193-F209 HydrophobicContact CH2-CD2 3.85Å; W193-F209 AromaticContact CH2-CE2 3.77Å; W193-F209 HydrophobicContact CH2-CE2 3.77Å; W193-F209 HydrophobicContact CH2-CG 4.38Å; W193-F209 HydrophobicContact CH2-CZ 4.24Å; W193-F209 HydrophobicContact CZ3-CD2 4.44Å; W193-F209 HydrophobicContact CZ3-CE1 4.39Å; W193-F209 HydrophobicContact CZ3-CE2 4.09Å; W193-F209 HydrophobicContact CZ3-CZ 4.09Å; Y199-F209 HydrophobicContact CD1-CB 4.01Å; Y199-F209 HydrophobicContact CD2-CB 4.02Å; Y199-F209 AromaticContact CD2-CD2 3.73Å; Y199-F209 HydrophobicContact CD2-CD2 3.73Å; Y199-F209 HydrophobicContact CD2-CG 4.29Å; Y199-F209 HydrophobicContact CE1-CB 4.38Å; Y199-F209 HydrophobicContact CE2-CB 4.37Å; Y199-F209 AromaticContact CE2-CD2 3.78Å; Y199-F209 HydrophobicContact CE2-CD2 3.78Å; Y199-F209 HydrophobicContact CG-CB 3.84Å; Y199-F209 HydrophobicContact CG-CD2 4.41Å; G205-F209 VanDerWaalsContact O-CB 3.31Å; G205-F209 WeakPolarHBondContact O-CB 3.42Å; G205-F209 PolarHBondContact O-N 3.39Å; G206-F209 PolarHBondContact O-N 3.08Å; N207-F209 VanDerWaalsContact C-N 3.34Å; N207-F209 PolarHBondContact O-N 3.34Å; F209-K212 PolarHBondContact O-N 2.9Å; F209-R213 HydrophobicContact CD2-CG 4.5Å; F209-R213 HydrophobicContact CE1-CG 4Å; F209-R213 HydrophobicContact CE2-CG 3.95Å; F209-R213 HydrophobicContact CZ-CG 3.63Å; F209-R213 VanDerWaalsContact CZ-NE 3.3Å; F209-R213 WeakPolarHBondContact O-CG 3.29Å; F209-R213 PolarHBondContact O-N 2.86Å; F209-R213 VanDerWaalsContact O-N 3.15Å; F209-L242 HydrophobicContact CB-CD1 4.3Å; F209-L242 HydrophobicContact CD1-CD2 4Å |
| 210 | L | 95.9 | Very high | 93.2 | Very high | 9 Ų | 9 | 71.5 Ų | 71.5 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 179.2 | -174.3 | 69.1 | 0 | 0 | 0 | 112.4 | I156 F188 G206 N207 K212 R213 L214 I238 C240 | I156-L210 HydrophobicContact CD1-CD1 3.58Å; F188-L210 HydrophobicContact CD2-CD1 3.65Å; F188-L210 HydrophobicContact CD2-CD2 3.88Å; F188-L210 HydrophobicContact CD2-CG 4.45Å; F188-L210 HydrophobicContact CE2-CD1 3.87Å; F188-L210 HydrophobicContact CE2-CD2 4.29Å; F188-L210 HydrophobicContact CG-CD1 4Å; F188-L210 HydrophobicContact CZ-CD1 4.38Å; G206-L210 WeakPolarHBondContact O-CB 3.36Å; G206-L210 PolarHBondContact O-N 3.11Å; N207-L210 PolarHBondContact O-N 2.8Å; L210-K212 VanDerWaalsContact C-N 3.26Å; L210-K212 PolarHBondContact O-N 3.35Å; L210-R213 PolarHBondContact O-N 2.71Å; L210-L214 HydrophobicContact CD1-CD1 3.95Å; L210-L214 HydrophobicContact CD1-CG 3.99Å; L210-L214 HydrophobicContact CD2-CD1 4.15Å; L210-L214 HydrophobicContact CG-CD1 3.8Å; L210-L214 HydrophobicContact CG-CG 4.13Å; L210-L214 PolarHBondContact O-N 3.06Å; L210-I238 HydrophobicContact CD2-CG2 3.61Å; L210-C240 HydrophobicContact CB-CB 3.66Å; L210-C240 HydrophobicContact CD1-CB 4.48Å; L210-C240 HydrophobicContact CD2-CB 3.88Å; L210-C240 HydrophobicContact CG-CB 4.21Å |
| 211 | E | 93.8 | Very high | 92.5 | Very high | 144 Ų | 144 | 71.5 Ų | 71.5 | 67% | 0.673 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -55.1 | -43.5 | 176.3 | -77.8 | 172.8 | -171.1 | 0 | 0 | 111.3 | N207 R213 Q215 | N207-E211 WeakPolarHBondContact O-CG 3.45Å; N207-E211 PolarHBondContact O-N 3.05Å; E211-R213 VanDerWaalsContact C-N 3.33Å; E211-R213 PolarHBondContact O-N 3.32Å; E211-Q215 PolarHBondContact O-N 3.37Å; E211-Q215 VanDerWaalsContact O-N 3.15Å |
| 212 | K | 93.2 | Very high | 91.8 | Very high | 98 Ų | 98 | 75.8 Ų | 75.8 | 43% | 0.426 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.1 | -34.2 | 175.1 | -177.8 | 177.4 | 176.2 | -174.6 | 0 | 112.9 | E198 Y199 Q208 F209 L210 | E198-K212 IonicContact OE1-NZ 2.74Å; E198-K212 PolarHBondContact OE1-NZ 3.39Å; Y199-K212 WeakPolarHBondContact OH-CD 3.47Å; Y199-K212 PolarHBondContact OH-NZ 3.01Å; Q208-K212 PolarHBondContact O-N 3.1Å; F209-K212 PolarHBondContact O-N 2.9Å; L210-K212 VanDerWaalsContact C-N 3.26Å; L210-K212 PolarHBondContact O-N 3.35Å |
| 213 | R | 91.5 | Very high | 90.9 | Very high | 88 Ų | 88 | 79.8 Ų | 79.8 | 33% | 0.332 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -76.4 | -36 | -179.9 | -73.4 | -70.9 | 177.7 | -171.4 | 0.6 | 113.1 | N155 F209 L210 E211 Q215 R228 | N155-R213 PolarHBondContact ND2-NH2 3.48Å; N155-R213 PolarHBondContact OD1-NH2 3.39Å; F209-R213 HydrophobicContact CD2-CG 4.5Å; F209-R213 HydrophobicContact CE1-CG 4Å; F209-R213 HydrophobicContact CE2-CG 3.95Å; F209-R213 HydrophobicContact CZ-CG 3.63Å; F209-R213 VanDerWaalsContact CZ-NE 3.3Å; F209-R213 WeakPolarHBondContact O-CG 3.29Å; F209-R213 PolarHBondContact O-N 2.86Å; F209-R213 VanDerWaalsContact O-N 3.15Å; L210-R213 PolarHBondContact O-N 2.71Å; E211-R213 VanDerWaalsContact C-N 3.33Å; E211-R213 PolarHBondContact O-N 3.32Å; R213-Q215 VanDerWaalsContact C-N 3.33Å; R213-R228 PolarHBondContact O-NE 3.13Å; R213-R228 PolarHBondContact O-NH2 3.49Å; R213-R228 VanDerWaalsContact O-NH2 3.16Å |
| 214 | L | 90.6 | Very high | 90 | Very high | 14 Ų | 14 | 78.5 Ų | 78.5 | 7% | 0.073 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -85.7 | -4.2 | 179 | -64 | -177.4 | 0 | 0 | 0 | 113.5 | L161 L210 V216 R228 I231 | L161-L214 HydrophobicContact CD1-CD2 4.42Å; L161-L214 HydrophobicContact CD2-CD2 4.03Å; L210-L214 HydrophobicContact CD1-CD1 3.95Å; L210-L214 HydrophobicContact CD1-CG 3.99Å; L210-L214 HydrophobicContact CD2-CD1 4.15Å; L210-L214 HydrophobicContact CG-CD1 3.8Å; L210-L214 HydrophobicContact CG-CG 4.13Å; L210-L214 PolarHBondContact O-N 3.06Å; L214-V216 PolarHBondContact O-N 2.75Å; L214-R228 HydrophobicContact CD2-CG 4.39Å; L214-I231 HydrophobicContact CD1-CG2 4.31Å; L214-I231 HydrophobicContact CD2-CG2 4.44Å |
| 215 | Q | 90.4 | Very high | 89.5 | Confident | 118 Ų | 118 | 73 Ų | 73 | 55% | 0.551 | 36% | 0.36 | S | S | * | . | trans | -60.6 | 121.5 | 173.3 | -168.6 | 177.6 | 16.7 | 0 | 0 | 110.9 | E211 R213 Q220 | E211-Q215 PolarHBondContact O-N 3.37Å; E211-Q215 VanDerWaalsContact O-N 3.15Å; R213-Q215 VanDerWaalsContact C-N 3.33Å; Q215-Q220 PolarHBondContact O-NE2 2.89Å | ||
| 216 | V | 88.6 | Confident | 88.8 | Confident | 57 Ų | 57 | 75.8 Ų | 75.8 | 35% | 0.345 | 37% | 0.374 | S | S | . | . | trans | -68.9 | 131 | 173.6 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | L214 Q225 R228 E229 | L214-V216 PolarHBondContact O-N 2.75Å; V216-Q225 HydrophobicContact CG1-CB 4Å; V216-Q225 HydrophobicContact CG1-CG 3.96Å; V216-R228 HydrophobicContact CG2-CB 3.81Å; V216-E229 HydrophobicContact CG2-CG 3.9Å | ||
| 217 | K | 87.4 | Confident | 88.1 | Confident | 107 Ų | 107 | 75.9 Ų | 75.9 | 47% | 0.465 | 37% | 0.374 | S | S | . | . | trans | -127.5 | 135.7 | 177.4 | -59.7 | 177.2 | -176.5 | 176.5 | 0 | 109.1 | A219 Q220 Q225 | K217-A219 PolarHBondContact O-N 3.03Å; K217-Q220 HydrophobicContact CB-CG 4.08Å; K217-Q220 VanDerWaalsContact O-CB 3.29Å; K217-Q220 WeakPolarHBondContact O-CB 3.37Å; K217-Q220 PolarHBondContact O-N 2.9Å; K217-Q220 PolarHBondContact O-OE1 3.43Å; K217-Q225 PolarHBondContact O-NE2 3.39Å | ||
| 218 | E | 84.3 | Confident | 87.7 | Confident | 192 Ų | 192 | 73.4 Ų | 73.4 | 90% | 0.897 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27.3 | -179 | -63.9 | -178.6 | 172.9 | 0 | 0 | 113.6 | Q220 Q225 | E218-Q220 VanDerWaalsContact C-N 3.26Å; E218-Q220 PolarHBondContact O-N 2.88Å; E218-Q225 PolarHBondContact O-NE2 2.9Å |
| 219 | A | 85.4 | Confident | 87 | Confident | 107 Ų | 107 | 73.7 Ų | 73.7 | 88% | 0.884 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -7.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K217 | K217-A219 PolarHBondContact O-N 3.03Š|
| 220 | Q | 83.6 | Confident | 86.2 | Confident | 33 Ų | 33 | 75.4 Ų | 75.4 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -77.2 | 151.8 | 178 | -71.7 | 164.2 | -21.9 | 0 | 0 | 110.8 | Q215 K217 E218 L224 Q225 | Q215-Q220 PolarHBondContact O-NE2 2.89Å; K217-Q220 HydrophobicContact CB-CG 4.08Å; K217-Q220 VanDerWaalsContact O-CB 3.29Å; K217-Q220 WeakPolarHBondContact O-CB 3.37Å; K217-Q220 PolarHBondContact O-N 2.9Å; K217-Q220 PolarHBondContact O-OE1 3.43Å; E218-Q220 VanDerWaalsContact C-N 3.26Å; E218-Q220 PolarHBondContact O-N 2.88Å; Q220-L224 HydrophobicContact CB-CB 4.33Å; Q220-Q225 HydrophobicContact CB-CG 3.87Å; Q220-Q225 PolarHBondContact O-NE2 3.03Å |
| 221 | H | 83.3 | Confident | 85.7 | Confident | 112 Ų | 112 | 75 Ų | 75 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | trans | -57.9 | 145.5 | 169.1 | -168.4 | -105.9 | 0 | 0 | 0 | 110.6 | E223 L224 Q225 | H221-E223 IonicContact CE1-OE1 3.96Å; H221-E223 IonicContact CE1-OE2 3.57Å; H221-E223 WeakPolarHBondContact ND1-CB 3.32Å; H221-E223 PolarHBondContact ND1-N 2.83Å; H221-E223 IonicContact ND1-OE2 3.47Å; H221-E223 PolarHBondContact ND1-OE2 3.28Å; H221-E223 PolarHBondContact O-N 3.01Å; H221-L224 HydrophobicContact CB-CD1 4.3Å; H221-L224 HydrophobicContact CB-CG 4.34Å; H221-L224 WeakPolarHBondContact O-CA 3.46Å; H221-L224 WeakPolarHBondContact O-CB 3.48Å; H221-L224 PolarHBondContact O-N 3.22Å; H221-Q225 PolarHBondContact O-N 2.99Å; H221-Q225 VanDerWaalsContact O-N 3.11Å | ||
| 222 | E | 83.4 | Confident | 85.2 | Confident | 140 Ų | 140 | 72.8 Ų | 72.8 | 65% | 0.654 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -54.9 | -41 | -176.5 | -170 | -178.7 | 164.9 | 0 | 0 | 112 | L224 Q225 N226 | E222-L224 VanDerWaalsContact C-N 3.28Å; E222-L224 PolarHBondContact O-N 3.43Å; E222-Q225 PolarHBondContact O-N 3.29Å; E222-N226 WeakPolarHBondContact O-CB 3.46Å; E222-N226 VanDerWaalsContact O-CG 3.25Å; E222-N226 PolarHBondContact O-N 2.77Å; E222-N226 PolarHBondContact O-ND2 3Å |
| 223 | E | 77.9 | Confident | 84.7 | Confident | 88 Ų | 88 | 69.5 Ų | 69.5 | 41% | 0.411 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.2 | -38.9 | 175.3 | -65.6 | 173.1 | 169.5 | 0 | 0 | 112.9 | H221 N226 V227 | H221-E223 IonicContact CE1-OE1 3.96Å; H221-E223 IonicContact CE1-OE2 3.57Å; H221-E223 WeakPolarHBondContact ND1-CB 3.32Å; H221-E223 PolarHBondContact ND1-N 2.83Å; H221-E223 IonicContact ND1-OE2 3.47Å; H221-E223 PolarHBondContact ND1-OE2 3.28Å; H221-E223 PolarHBondContact O-N 3.01Å; E223-N226 PolarHBondContact O-N 3.3Å; E223-V227 WeakPolarHBondContact O-CG2 3.41Å; E223-V227 PolarHBondContact O-N 3.08Å |
| 224 | L | 78.9 | Confident | 84.4 | Confident | 22 Ų | 22 | 65.3 Ų | 65.3 | 12% | 0.115 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -75.8 | -28.7 | -179.4 | -67.4 | 179.2 | 0 | 0 | 0 | 112.5 | E158 Q162 Q220 H221 E222 R228 | E158-L224 HydrophobicContact CB-CD2 4.3Å; E158-L224 HydrophobicContact CG-CD1 4.37Å; Q162-L224 HydrophobicContact CG-CD2 3.9Å; Q220-L224 HydrophobicContact CB-CB 4.33Å; H221-L224 HydrophobicContact CB-CD1 4.3Å; H221-L224 HydrophobicContact CB-CG 4.34Å; H221-L224 WeakPolarHBondContact O-CA 3.46Å; H221-L224 WeakPolarHBondContact O-CB 3.48Å; H221-L224 PolarHBondContact O-N 3.22Å; E222-L224 VanDerWaalsContact C-N 3.28Å; E222-L224 PolarHBondContact O-N 3.43Å; L224-R228 WeakPolarHBondContact O-CD 3.31Å; L224-R228 WeakPolarHBondContact O-CG 3.47Å; L224-R228 PolarHBondContact O-N 3.5Å; L224-R228 PolarHBondContact O-NH1 3.09Å; L224-R228 VanDerWaalsContact O-NH1 3.11Å |
| 225 | Q | 84.1 | Confident | 84.4 | Confident | 46 Ų | 46 | 64.8 Ų | 64.8 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.6 | -49.2 | 170.2 | -60.2 | -175.8 | 28.4 | 0 | 0 | 109.3 | V216 K217 E218 Q220 H221 E222 V227 R228 E229 | V216-Q225 HydrophobicContact CG1-CB 4Å; V216-Q225 HydrophobicContact CG1-CG 3.96Å; K217-Q225 PolarHBondContact O-NE2 3.39Å; E218-Q225 PolarHBondContact O-NE2 2.9Å; Q220-Q225 HydrophobicContact CB-CG 3.87Å; Q220-Q225 PolarHBondContact O-NE2 3.03Å; H221-Q225 PolarHBondContact O-N 2.99Å; H221-Q225 VanDerWaalsContact O-N 3.11Å; E222-Q225 PolarHBondContact O-N 3.29Å; Q225-V227 VanDerWaalsContact C-N 3.34Å; Q225-V227 PolarHBondContact O-N 3.34Å; Q225-R228 PolarHBondContact O-N 3.32Å; Q225-E229 WeakPolarHBondContact O-CG 3.2Å; Q225-E229 PolarHBondContact O-N 3.4Å |
| 226 | N | 82.4 | Confident | 84.4 | Confident | 60 Ų | 60 | 63.3 Ų | 63.3 | 32% | 0.321 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -55.6 | -46.2 | 178.2 | -71.4 | -23.2 | 0 | 0 | 0 | 111.9 | E222 E223 R228 E229 H230 | E222-N226 WeakPolarHBondContact O-CB 3.46Å; E222-N226 VanDerWaalsContact O-CG 3.25Å; E222-N226 PolarHBondContact O-N 2.77Å; E222-N226 PolarHBondContact O-ND2 3Å; E223-N226 PolarHBondContact O-N 3.3Å; N226-R228 VanDerWaalsContact C-N 3.32Å; N226-R228 PolarHBondContact O-N 3.42Å; N226-E229 PolarHBondContact O-N 2.9Å; N226-H230 WeakPolarHBondContact O-CB 3.44Å; N226-H230 PolarHBondContact O-N 3.01Å; N226-H230 PolarHBondContact O-ND1 3.08Å |
| 227 | V | 84.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.9 | -44.6 | 177.1 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | L161 Q165 E223 Q225 H230 I231 | L161-V227 HydrophobicContact CB-CG1 4.15Å; L161-V227 WeakPolarHBondContact O-CG1 3.42Å; Q165-V227 HydrophobicContact CB-CG2 3.69Å; Q165-V227 HydrophobicContact CG-CG2 3.84Å; E223-V227 WeakPolarHBondContact O-CG2 3.41Å; E223-V227 PolarHBondContact O-N 3.08Å; Q225-V227 VanDerWaalsContact C-N 3.34Å; Q225-V227 PolarHBondContact O-N 3.34Å; V227-H230 PolarHBondContact O-N 3.24Å; V227-I231 WeakPolarHBondContact O-CB 3.48Å; V227-I231 PolarHBondContact O-N 2.97Å |
| 228 | R | 87.2 | Confident | 85 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.015 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.4 | -37 | -178.6 | -74.4 | 172.2 | 170.8 | 80 | -0.5 | 113 | E158 R213 L214 V216 L224 Q225 N226 I231 | E158-R228 IonicContact OE1-CZ 2.72Å; E158-R228 IonicContact OE1-NH2 3.99Å; E158-R228 PolarHBondContact OE1-NH2 3.36Å; E158-R228 IonicContact OE2-CZ 2.85Å; E158-R228 VanDerWaalsContact OE2-CZ 3.28Å; E158-R228 IonicContact OE2-NH1 2.64Å; E158-R228 PolarHBondContact OE2-NH1 3.02Å; E158-R228 IonicContact OE2-NH2 3.2Å; E158-R228 PolarHBondContact OE2-NH2 3.39Å; R213-R228 PolarHBondContact O-NE 3.13Å; R213-R228 PolarHBondContact O-NH2 3.49Å; R213-R228 VanDerWaalsContact O-NH2 3.16Å; L214-R228 HydrophobicContact CD2-CG 4.39Å; V216-R228 HydrophobicContact CG2-CB 3.81Å; L224-R228 WeakPolarHBondContact O-CD 3.31Å; L224-R228 WeakPolarHBondContact O-CG 3.47Å; L224-R228 PolarHBondContact O-N 3.5Å; L224-R228 PolarHBondContact O-NH1 3.09Å; L224-R228 VanDerWaalsContact O-NH1 3.11Å; Q225-R228 PolarHBondContact O-N 3.32Å; N226-R228 VanDerWaalsContact C-N 3.32Å; N226-R228 PolarHBondContact O-N 3.42Å; R228-I231 WeakPolarHBondContact O-CG2 3.21Å |
| 229 | E | 82.8 | Confident | 85.6 | Confident | 101 Ų | 101 | 53.9 Ų | 53.9 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 176.5 | -70.8 | 177.3 | 176.6 | 0 | 0 | 111.5 | V216 Q225 N226 | V216-E229 HydrophobicContact CG2-CG 3.9Å; Q225-E229 WeakPolarHBondContact O-CG 3.2Å; Q225-E229 PolarHBondContact O-N 3.4Å; N226-E229 PolarHBondContact O-N 2.9Å |
| 230 | H | 81.4 | Confident | 86.2 | Confident | 42 Ų | 42 | 48.8 Ų | 48.8 | 19% | 0.194 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -93.9 | -16.7 | -171.1 | -64.2 | 84.4 | 0 | 0 | 0 | 113.9 | T168 N226 V227 H232 S233 C234 | T168-H230 HydrophobicContact CG2-CB 3.69Å; N226-H230 WeakPolarHBondContact O-CB 3.44Å; N226-H230 PolarHBondContact O-N 3.01Å; N226-H230 PolarHBondContact O-ND1 3.08Å; V227-H230 PolarHBondContact O-N 3.24Å; H230-H232 PolarHBondContact O-N 3.45Å; H230-S233 PolarHBondContact O-N 3.14Å; H230-S233 PolarHBondContact O-OG 3.21Å; H230-C234 PolarHBondContact O-N 2.8Å; H230-C234 PolarHBondContact O-SG 2.93Å |
| 231 | I | 86 | Confident | 86.9 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.6 | -37 | 175.7 | -161.6 | 175.8 | 0 | 0 | 0 | 111.2 | L164 L186 F188 L214 V227 R228 S233 C234 F235 I238 | L164-I231 HydrophobicContact CD1-CD1 3.55Å; L186-I231 HydrophobicContact CD2-CD1 4.08Å; F188-I231 HydrophobicContact CE2-CD1 4.31Å; F188-I231 HydrophobicContact CZ-CD1 4.02Å; L214-I231 HydrophobicContact CD1-CG2 4.31Å; L214-I231 HydrophobicContact CD2-CG2 4.44Å; V227-I231 WeakPolarHBondContact O-CB 3.48Å; V227-I231 PolarHBondContact O-N 2.97Å; R228-I231 WeakPolarHBondContact O-CG2 3.21Å; I231-S233 VanDerWaalsContact C-N 3.31Å; I231-S233 PolarHBondContact O-N 3.02Å; I231-C234 PolarHBondContact O-N 3.26Å; I231-F235 HydrophobicContact CG1-CD2 4.21Å; I231-F235 HydrophobicContact CG1-CE2 4.42Å; I231-F235 PolarHBondContact O-N 2.96Å; I231-I238 HydrophobicContact CB-CD1 4.44Å; I231-I238 HydrophobicContact CD1-CD1 4.41Å; I231-I238 HydrophobicContact CG1-CD1 3.93Å; I231-I238 HydrophobicContact CG2-CD1 4.06Å |
| 232 | H | 82.6 | Confident | 87.6 | Confident | 98 Ų | 98 | 42 Ų | 42 | 45% | 0.454 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.9 | -24.4 | 177 | -74.2 | -73.4 | 0 | 0 | 0 | 113.2 | K181 H230 C234 | K181-H232 WeakPolarHBondContact CE-O 3.23Å; K181-H232 PolarHBondContact NZ-O 2.98Å; H230-H232 PolarHBondContact O-N 3.45Å; H232-C234 VanDerWaalsContact C-N 3.34Å |
| 233 | S | 82.8 | Confident | 88.3 | Confident | 28 Ų | 28 | 35.3 Ų | 35.3 | 20% | 0.196 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -80.4 | -17.1 | 173.2 | 70 | 0 | 0 | 0 | 0 | 112.6 | M175 K181 H230 I231 | M175-S233 WeakPolarHBondContact CE-O 3.45Å; K181-S233 WeakPolarHBondContact CG-O 3.38Å; H230-S233 PolarHBondContact O-N 3.14Å; H230-S233 PolarHBondContact O-OG 3.21Å; I231-S233 VanDerWaalsContact C-N 3.31Å; I231-S233 PolarHBondContact O-N 3.02Å |
| 234 | C | 85.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -86.2 | -41.2 | -178.7 | -64 | 0 | 0 | 0 | 0 | 113.6 | F167 T168 P182 F183 H230 I231 H232 | F167-C234 PolarHBondContact O-SG 3.42Å; T168-C234 VanDerWaalsContact CA-SG 3.53Å; P182-C234 WeakPolarHBondContact CD-O 3.23Å; F183-C234 WeakPolarHBondContact CB-O 3.23Å; F183-C234 HydrophobicContact CD2-CB 4.05Å; F183-C234 HydrophobicContact CE2-CB 4.49Å; F183-C234 PolarHBondContact N-O 2.79Å; H230-C234 PolarHBondContact O-N 2.8Å; H230-C234 PolarHBondContact O-SG 2.93Å; I231-C234 PolarHBondContact O-N 3.26Å; H232-C234 VanDerWaalsContact C-N 3.34Å |
| 235 | F | 90 | Very high | 89.9 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132.9 | -171.9 | -63.8 | -85.9 | 0 | 0 | 0 | 112.1 | T142 K181 F183 L186 I231 K237 I238 | T142-F235 HydrophobicContact CG2-CE1 3.81Å; T142-F235 HydrophobicContact CG2-CZ 3.82Å; K181-F235 WeakPolarHBondContact CD-O 3.25Å; K181-F235 PolarHBondContact NZ-O 2.88Å; F183-F235 HydrophobicContact CB-CD1 3.31Å; F183-F235 HydrophobicContact CB-CE1 3.38Å; F183-F235 HydrophobicContact CB-CG 4.1Å; F183-F235 HydrophobicContact CB-CZ 4.21Å; F183-F235 HydrophobicContact CD2-CD1 4.3Å; F183-F235 AromaticContact CD2-CE1 3.84Å; F183-F235 HydrophobicContact CD2-CE1 3.84Å; F183-F235 HydrophobicContact CD2-CE2 4.2Å; F183-F235 AromaticContact CD2-CZ 3.78Å; F183-F235 HydrophobicContact CD2-CZ 3.78Å; F183-F235 HydrophobicContact CG-CD1 4.18Å; F183-F235 AromaticContact CG-CE1 3.8Å; F183-F235 HydrophobicContact CG-CE1 3.8Å; F183-F235 HydrophobicContact CG-CZ 4.21Å; F183-F235 WeakPolarHBondContact O-CA 3.49Å; L186-F235 HydrophobicContact CB-CB 4.39Å; L186-F235 HydrophobicContact CB-CD1 3.56Å; L186-F235 HydrophobicContact CB-CD2 4.14Å; L186-F235 HydrophobicContact CB-CE1 3.77Å; L186-F235 HydrophobicContact CB-CE2 4.34Å; L186-F235 HydrophobicContact CB-CG 3.76Å; L186-F235 HydrophobicContact CB-CZ 4.16Å; L186-F235 HydrophobicContact CD1-CZ 4.48Å; L186-F235 HydrophobicContact CD2-CD2 4Å; L186-F235 HydrophobicContact CD2-CE1 4.49Å; L186-F235 HydrophobicContact CD2-CE2 3.77Å; L186-F235 HydrophobicContact CD2-CG 4.48Å; L186-F235 HydrophobicContact CD2-CZ 4.03Å; L186-F235 HydrophobicContact CG-CE1 4.49Å; L186-F235 HydrophobicContact CG-CZ 4.46Å; I231-F235 HydrophobicContact CG1-CD2 4.21Å; I231-F235 HydrophobicContact CG1-CE2 4.42Å; I231-F235 PolarHBondContact O-N 2.96Å; F235-K237 VanDerWaalsContact C-N 3.27Å; F235-K237 PolarHBondContact O-N 3.37Å; F235-I238 HydrophobicContact CB-CD1 4.25Å; F235-I238 HydrophobicContact CB-CG1 3.73Å; F235-I238 HydrophobicContact CG-CG1 4.47Å |
| 236 | T | 91.1 | Very high | 90.4 | Very high | 86 Ų | 86 | 31.8 Ų | 31.8 | 53% | 0.528 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | -36.4 | 174.3 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | K181 F183 Q184 | K181-T236 HydrophobicContact CB-CG2 3.94Å; K181-T236 HydrophobicContact CD-CG2 4.04Å; K181-T236 HydrophobicContact CG-CG2 4.48Å; F183-T236 PolarHBondContact O-N 2.9Å; Q184-T236 VanDerWaalsContact C-OG1 3.3Å; Q184-T236 VanDerWaalsContact CA-OG1 3.29Å; Q184-T236 WeakPolarHBondContact CA-OG1 3.45Å; Q184-T236 PolarHBondContact O-N 2.78Å; Q184-T236 PolarHBondContact O-OG1 3.18Å |
| 237 | K | 93.6 | Very high | 90.8 | Very high | 115 Ų | 115 | 29.7 Ų | 29.7 | 50% | 0.5 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 129.8 | 178.6 | -173.3 | 177.9 | 179.6 | -177.6 | 0 | 110.4 | Q184 S185 L186 F235 | Q184-K237 PolarHBondContact O-N 3.14Å; S185-K237 CarbonylContact C-O 3.4Å; S185-K237 WeakPolarHBondContact CA-O 2.87Å; L186-K237 PolarHBondContact N-O 3.28Å; F235-K237 VanDerWaalsContact C-N 3.27Å; F235-K237 PolarHBondContact O-N 3.37Å |
| 238 | I | 94.3 | Very high | 91.1 | Very high | 34 Ų | 34 | 36 Ų | 36 | 17% | 0.174 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.8 | 171 | -56.2 | 175.8 | 0 | 0 | 0 | 107.2 | L186 F188 L210 I231 F235 | L186-I238 WeakPolarHBondContact O-CA 3.05Å; F188-I238 HydrophobicContact CD2-CG2 4.19Å; F188-I238 HydrophobicContact CE2-CG2 3.88Å; L210-I238 HydrophobicContact CD2-CG2 3.61Å; I231-I238 HydrophobicContact CB-CD1 4.44Å; I231-I238 HydrophobicContact CD1-CD1 4.41Å; I231-I238 HydrophobicContact CG1-CD1 3.93Å; I231-I238 HydrophobicContact CG2-CD1 4.06Å; F235-I238 HydrophobicContact CB-CD1 4.25Å; F235-I238 HydrophobicContact CB-CG1 3.73Å; F235-I238 HydrophobicContact CG-CG1 4.47Å |
| 239 | S | 96.4 | Very high | 91.1 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 164.5 | 178.3 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | L186 M187 F188 N207 | L186-S239 PolarHBondContact O-N 2.71Å; M187-S239 CarbonylContact C-O 3.59Å; M187-S239 VanDerWaalsContact CA-O 3.32Å; M187-S239 WeakPolarHBondContact CA-O 3.45Å; F188-S239 PolarHBondContact N-O 3.31Å; N207-S239 WeakPolarHBondContact OD1-CA 3.37Å |
| 240 | C | 98.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 141.8 | 176.3 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | F188 F203 G206 N207 L210 | F188-C240 HydrophobicContact CB-CB 4.01Å; F188-C240 CarbonylContact O-C 3.51Å; F188-C240 VanDerWaalsContact O-CA 3.22Å; F188-C240 WeakPolarHBondContact O-CA 3.4Å; F203-C240 WeakPolarHBondContact CA-O 3.29Å; G206-C240 VanDerWaalsContact C-CB 3.48Å; G206-C240 WeakPolarHBondContact CA-O 3.42Å; G206-C240 VanDerWaalsContact CA-SG 3.59Å; G206-C240 VanDerWaalsContact O-CB 3.24Å; G206-C240 WeakPolarHBondContact O-CB 3.47Å; G206-C240 PolarHBondContact O-SG 3.2Å; G206-C240 VanDerWaalsContact O-SG 3.35Å; N207-C240 PolarHBondContact OD1-N 3.44Å; N207-C240 PolarHBondContact OD1-O 3.07Å; L210-C240 HydrophobicContact CB-CB 3.66Å; L210-C240 HydrophobicContact CD1-CB 4.48Å; L210-C240 HydrophobicContact CD2-CB 3.88Å; L210-C240 HydrophobicContact CG-CB 4.21Å |
| 241 | F | 98.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.7 | 175.2 | -168.1 | -79.3 | 0 | 0 | 0 | 109.6 | M187 F188 L189 V190 F203 L243 E270 L274 | M187-F241 HydrophobicContact SD-CB 4.43Å; F188-F241 PolarHBondContact O-N 2.88Å; L189-F241 HydrophobicContact CD1-CB 4.05Å; L189-F241 HydrophobicContact CD1-CD1 3.81Å; L189-F241 HydrophobicContact CD1-CG 4.29Å; V190-F241 PolarHBondContact N-O 3.03Å; F203-F241 HydrophobicContact CB-CD2 4.41Å; F203-F241 HydrophobicContact CD1-CB 4.29Å; F203-F241 AromaticContact CD1-CD2 3.9Å; F203-F241 HydrophobicContact CD1-CD2 3.9Å; F203-F241 AromaticContact CD2-CD2 3.41Å; F203-F241 HydrophobicContact CD2-CD2 3.41Å; F203-F241 VanDerWaalsContact CD2-CD2 3.41Å; F203-F241 AromaticContact CD2-CE2 3.66Å; F203-F241 HydrophobicContact CD2-CE2 3.66Å; F203-F241 HydrophobicContact CE1-CB 4.15Å; F203-F241 AromaticContact CE1-CD2 3.92Å; F203-F241 HydrophobicContact CE1-CD2 3.92Å; F203-F241 AromaticContact CE2-CD2 3.4Å; F203-F241 HydrophobicContact CE2-CD2 3.4Å; F203-F241 AromaticContact CE2-CE2 3.7Å; F203-F241 HydrophobicContact CE2-CE2 3.7Å; F203-F241 AromaticContact CG-CD2 3.66Å; F203-F241 HydrophobicContact CG-CD2 3.66Å; F203-F241 HydrophobicContact CG-CE2 4.28Å; F203-F241 AromaticContact CZ-CD2 3.68Å; F203-F241 HydrophobicContact CZ-CD2 3.68Å; F203-F241 HydrophobicContact CZ-CE2 4.39Å; F241-L243 HydrophobicContact CD1-CB 4.19Å; F241-L243 HydrophobicContact CD1-CD1 4.32Å; F241-L243 HydrophobicContact CE1-CB 4.21Å; F241-L243 HydrophobicContact CE1-CD1 3.62Å; F241-E270 HydrophobicContact CE1-CB 4.21Å; F241-E270 HydrophobicContact CZ-CB 4.14Å; F241-E270 WeakPolarHBondContact CZ-O 3.41Å; F241-E270 WeakPolarHBondContact CZ-OE2 3.4Å; F241-L274 HydrophobicContact CB-CD1 4.3Å; F241-L274 HydrophobicContact CD1-CD1 4.26Å; F241-L274 HydrophobicContact CD1-CD2 4.22Å; F241-L274 HydrophobicContact CD2-CB 4.44Å; F241-L274 HydrophobicContact CD2-CD1 3.7Å; F241-L274 HydrophobicContact CE1-CB 4.18Å; F241-L274 HydrophobicContact CE1-CD2 4.29Å; F241-L274 HydrophobicContact CE2-CB 3.88Å; F241-L274 HydrophobicContact CE2-CD1 4Å; F241-L274 HydrophobicContact CE2-CG 4.47Å; F241-L274 HydrophobicContact CG-CD1 3.82Å; F241-L274 HydrophobicContact CZ-CB 3.74Å; F241-L274 HydrophobicContact CZ-CD1 4.44Å; F241-L274 HydrophobicContact CZ-CG 4.5Å |
| 242 | L | 98.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 115.3 | 176.2 | -55.1 | 178.1 | 0 | 0 | 0 | 109.2 | V190 W193 G202 G206 F209 | V190-L242 HydrophobicContact CB-CD2 3.74Å; V190-L242 HydrophobicContact CG1-CD2 4.36Å; V190-L242 HydrophobicContact CG2-CD2 3.85Å; W193-L242 HydrophobicContact CB-CB 4.11Å; W193-L242 HydrophobicContact CD2-CB 4.49Å; W193-L242 HydrophobicContact CD2-CD1 4.09Å; W193-L242 HydrophobicContact CD2-CD2 4.16Å; W193-L242 HydrophobicContact CD2-CG 4.45Å; W193-L242 HydrophobicContact CE3-CD2 4.23Å; W193-L242 HydrophobicContact CG-CB 3.92Å; W193-L242 HydrophobicContact CG-CD1 4.24Å; W193-L242 HydrophobicContact CG-CD2 4.39Å; W193-L242 HydrophobicContact CG-CG 4.38Å; W193-L242 HydrophobicContact CZ2-CD1 4.22Å; G202-L242 PolarHBondContact N-O 3.04Å; G202-L242 PolarHBondContact O-N 2.76Å; G206-L242 VanDerWaalsContact CA-CG 3.48Å; F209-L242 HydrophobicContact CB-CD1 4.3Å; F209-L242 HydrophobicContact CD1-CD2 4Å |
| 243 | L | 97.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -107.2 | 132.1 | -178.3 | -164.9 | 70.9 | 0 | 0 | 0 | 109.6 | L189 V190 R191 D192 W193 F241 F267 E270 | L189-L243 HydrophobicContact CD1-CB 4.1Å; L189-L243 HydrophobicContact CD1-CD2 4.43Å; V190-L243 PolarHBondContact O-N 2.85Å; R191-L243 CarbonylContact C-O 3.46Å; D192-L243 PolarHBondContact N-O 3.38Å; D192-L243 VanDerWaalsContact N-O 3.11Å; W193-L243 PolarHBondContact N-O 2.97Å; F241-L243 HydrophobicContact CD1-CB 4.19Å; F241-L243 HydrophobicContact CD1-CD1 4.32Å; F241-L243 HydrophobicContact CE1-CB 4.21Å; F241-L243 HydrophobicContact CE1-CD1 3.62Å; L243-F267 HydrophobicContact CD1-CD2 4.49Å; L243-F267 HydrophobicContact CD1-CE2 4.36Å; L243-F267 HydrophobicContact CD2-CD2 4.2Å; L243-F267 HydrophobicContact CD2-CE2 3.37Å; L243-F267 HydrophobicContact CD2-CZ 3.8Å; L243-F267 HydrophobicContact CG-CD2 4.03Å; L243-F267 HydrophobicContact CG-CE2 3.71Å; L243-F267 HydrophobicContact CG-CZ 4.47Å; L243-E270 HydrophobicContact CD1-CB 3.74Å | ||
| 244 | P | 97 | Very high | 91.5 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.019 | 27% | 0.269 | C | S | . | . | trans | -66.3 | 173 | 177.5 | 28.5 | -36.5 | 0 | 0 | 0 | 111.8 | Y201 E266 F267 E270 | Y201-P244 HydrophobicContact CD1-CB 4.17Å; Y201-P244 HydrophobicContact CD2-CB 4.37Å; Y201-P244 HydrophobicContact CE1-CB 3.69Å; Y201-P244 HydrophobicContact CE2-CB 3.92Å; P244-E266 HydrophobicContact CG-CB 4.32Å; P244-F267 HydrophobicContact CG-CB 4.14Å; P244-F267 HydrophobicContact CG-CD2 4.39Å; P244-F267 VanDerWaalsContact O-CD2 3.29Å; P244-F267 WeakPolarHBondContact O-CD2 3.03Å; P244-E270 HydrophobicContact CG-CB 4.42Å; P244-E270 HydrophobicContact CG-CG 4.18Å | ||
| 245 | H | 95.4 | Very high | 91.4 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 32% | 0.324 | 29% | 0.291 | S | S | . | . | trans | -70.9 | 135.1 | 173.2 | -173.6 | -86.7 | 0 | 0 | 0 | 110.7 | D192 G247 | D192-H245 HydrophobicContact CB-CB 4.32Å; D192-H245 VanDerWaalsContact CG-CD2 3.45Å; D192-H245 WeakPolarHBondContact OD1-CA 3.3Å; D192-H245 IonicContact OD1-CD2 3.2Å; D192-H245 PolarHBondContact OD1-CD2 3.11Å; D192-H245 IonicContact OD1-CG 2.77Å; D192-H245 IonicContact OD2-CD2 2.81Å; H245-G247 VanDerWaalsContact CE1-C 3.46Å; H245-G247 PolarHBondContact CE1-O 2.62Å; H245-G247 WeakPolarHBondContact ND1-CA 3.36Å; H245-G247 PolarHBondContact ND1-N 3.06Å; H245-G247 PolarHBondContact O-N 3.29Å; H245-G247 VanDerWaalsContact O-N 3.14Å | ||
| 246 | P | 93.3 | Very high | 91.2 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 7% | 0.065 | 29% | 0.292 | C | S | . | . | trans | -70.7 | -10.1 | -175.1 | 29 | -36.3 | 0 | 0 | 0 | 114.4 | D192 V250 A264 F267 | D192-P246 WeakPolarHBondContact OD1-CD 3.41Å; P246-V250 HydrophobicContact CB-CB 4.06Å; P246-V250 HydrophobicContact CB-CG1 3.91Å; P246-V250 HydrophobicContact CB-CG2 4.21Å; P246-V250 HydrophobicContact CG-CB 4.21Å; P246-V250 HydrophobicContact CG-CG1 3.96Å; P246-A264 WeakPolarHBondContact O-CB 3.42Å; P246-A264 PolarHBondContact O-N 3.1Å; P246-F267 HydrophobicContact CB-CD1 4.33Å; P246-F267 HydrophobicContact CB-CD2 3.77Å; P246-F267 HydrophobicContact CB-CE1 4.38Å; P246-F267 HydrophobicContact CB-CE2 3.82Å; P246-F267 HydrophobicContact CB-CG 4.03Å; P246-F267 HydrophobicContact CB-CZ 4.14Å; P246-F267 HydrophobicContact CG-CE2 4.46Å | ||
| 247 | G | 92.1 | Very high | 90.9 | Very high | 16 Ų | 16 | 53.1 Ų | 53.1 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | trans | 112 | 151.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | H245 K249 V250 A251 | H245-G247 VanDerWaalsContact CE1-C 3.46Å; H245-G247 PolarHBondContact CE1-O 2.62Å; H245-G247 WeakPolarHBondContact ND1-CA 3.36Å; H245-G247 PolarHBondContact ND1-N 3.06Å; H245-G247 PolarHBondContact O-N 3.29Å; H245-G247 VanDerWaalsContact O-N 3.14Å; G247-K249 VanDerWaalsContact C-N 3.27Å; G247-K249 PolarHBondContact O-N 2.71Å; G247-V250 PolarHBondContact O-N 2.87Å; G247-A251 PolarHBondContact O-N 3.42Å | ||
| 248 | L | 89.6 | Confident | 90.5 | Very high | 133 Ų | 133 | 47.7 Ų | 47.7 | 70% | 0.696 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.2 | -32.7 | -175.2 | -66.1 | 176.6 | 0 | 0 | 0 | 113 | A251 T252 | L248-A251 PolarHBondContact O-N 2.7Å; L248-T252 WeakPolarHBondContact O-CB 3.24Å; L248-T252 PolarHBondContact O-N 3.43Å; L248-T252 PolarHBondContact O-OG1 3.03Å |
| 249 | K | 88.2 | Confident | 90.3 | Very high | 121 Ų | 121 | 47.2 Ų | 47.2 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 175.8 | -69.5 | -175.7 | 173.7 | -177.1 | 0 | 111.9 | G247 A251 H253 D262 | G247-K249 VanDerWaalsContact C-N 3.27Å; G247-K249 PolarHBondContact O-N 2.71Å; K249-A251 VanDerWaalsContact C-N 3.32Å; K249-A251 PolarHBondContact O-N 2.79Å; K249-H253 WeakPolarHBondContact O-CB 3.45Å; K249-H253 PolarHBondContact O-N 3.08Å; K249-D262 HydrophobicContact CB-CB 4.22Å; K249-D262 HydrophobicContact CD-CB 3.94Å; K249-D262 WeakPolarHBondContact CD-OD1 3.49Å; K249-D262 IonicContact NZ-OD1 3.85Å; K249-D262 PolarHBondContact NZ-OD1 3.39Å |
| 250 | V | 86.9 | Confident | 90 | Very high | 26 Ų | 26 | 46.9 Ų | 46.9 | 16% | 0.158 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 176.6 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | F56 P246 G247 F256 V263 | F56-V250 HydrophobicContact CZ-CG1 4.22Å; P246-V250 HydrophobicContact CB-CB 4.06Å; P246-V250 HydrophobicContact CB-CG1 3.91Å; P246-V250 HydrophobicContact CB-CG2 4.21Å; P246-V250 HydrophobicContact CG-CB 4.21Å; P246-V250 HydrophobicContact CG-CG1 3.96Å; G247-V250 PolarHBondContact O-N 2.87Å; V250-F256 HydrophobicContact CB-CE1 4.17Å; V250-F256 HydrophobicContact CB-CZ 4.26Å; V250-F256 HydrophobicContact CG1-CD1 4.14Å; V250-F256 HydrophobicContact CG1-CE1 3.6Å; V250-F256 HydrophobicContact CG1-CZ 4.03Å; V250-F256 HydrophobicContact CG2-CE1 4.1Å; V250-F256 HydrophobicContact CG2-CE2 3.97Å; V250-F256 HydrophobicContact CG2-CZ 3.67Å; V250-V263 HydrophobicContact CG2-CB 4.4Å; V250-V263 HydrophobicContact CG2-CG2 3.91Å |
| 251 | A | 85.4 | Confident | 89.6 | Confident | 63 Ų | 63 | 53 Ų | 53 | 52% | 0.521 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -76.1 | -31.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G247 L248 K249 | G247-A251 PolarHBondContact O-N 3.42Å; L248-A251 PolarHBondContact O-N 2.7Å; K249-A251 VanDerWaalsContact C-N 3.32Å; K249-A251 PolarHBondContact O-N 2.79Å |
| 252 | T | 85.3 | Confident | 89.2 | Confident | 107 Ų | 107 | 55 Ų | 55 | 66% | 0.656 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -118.3 | -19.2 | -166.7 | 63 | 0 | 0 | 0 | 0 | 114.4 | L248 P254 | L248-T252 WeakPolarHBondContact O-CB 3.24Å; L248-T252 PolarHBondContact O-N 3.43Å; L248-T252 PolarHBondContact O-OG1 3.03Å; T252-P254 WeakPolarHBondContact O-CD 3.27Å |
| 253 | H | 85.7 | Confident | 88.9 | Confident | 109 Ų | 109 | 55.3 Ų | 55.3 | 51% | 0.505 | 30% | 0.295 | S | S | . | . | trans | -87.1 | 115.5 | -171.7 | -159.3 | 70 | 0 | 0 | 0 | 111.5 | K249 A255 F256 | K249-H253 WeakPolarHBondContact O-CB 3.45Å; K249-H253 PolarHBondContact O-N 3.08Å; H253-A255 VanDerWaalsContact C-N 3.26Å; H253-A255 PolarHBondContact O-N 3.27Å; H253-F256 HydrophobicContact CB-CB 4.42Å; H253-F256 VanDerWaalsContact O-CB 3.28Å; H253-F256 WeakPolarHBondContact O-CB 3.49Å; H253-F256 PolarHBondContact O-N 3.02Å; H253-F256 VanDerWaalsContact O-N 3.14Å | ||
| 254 | P | 80.4 | Confident | 88.8 | Confident | 112 Ų | 112 | 57 Ų | 57 | 73% | 0.727 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -21.9 | -173.1 | 28.3 | -35.6 | 0 | 0 | 0 | 113.5 | T252 F256 R257 | T252-P254 WeakPolarHBondContact O-CD 3.27Å; P254-F256 VanDerWaalsContact C-N 3.34Å; P254-R257 PolarHBondContact O-NH1 3.19Å |
| 255 | A | 83 | Confident | 88.7 | Confident | 54 Ų | 54 | 60.2 Ų | 60.2 | 45% | 0.446 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 0.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H253 R257 | H253-A255 VanDerWaalsContact C-N 3.26Å; H253-A255 PolarHBondContact O-N 3.27Å; A255-R257 PolarHBondContact O-N 3.32Å; A255-R257 PolarHBondContact O-NH1 2.85Å |
| 256 | F | 85.3 | Confident | 88.7 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 6% | 0.057 | 35% | 0.348 | C | S | . | . | trans | -61.9 | 132.2 | 175.8 | -179 | -111.2 | 0 | 0 | 0 | 110.2 | F56 W86 V250 H253 P254 D262 V263 | F56-F256 AromaticContact CE2-CE1 3.72Å; F56-F256 HydrophobicContact CE2-CE1 3.72Å; F56-F256 HydrophobicContact CE2-CZ 4.1Å; F56-F256 HydrophobicContact CZ-CE1 4.17Å; F56-F256 HydrophobicContact CZ-CZ 4.29Å; W86-F256 AromaticContact CH2-CD1 3.56Å; W86-F256 HydrophobicContact CH2-CD1 3.56Å; W86-F256 AromaticContact CH2-CE1 3.59Å; W86-F256 HydrophobicContact CH2-CE1 3.59Å; W86-F256 AromaticContact CZ3-CD1 3.81Å; W86-F256 HydrophobicContact CZ3-CD1 3.81Å; W86-F256 HydrophobicContact CZ3-CE1 4.02Å; V250-F256 HydrophobicContact CB-CE1 4.17Å; V250-F256 HydrophobicContact CB-CZ 4.26Å; V250-F256 HydrophobicContact CG1-CD1 4.14Å; V250-F256 HydrophobicContact CG1-CE1 3.6Å; V250-F256 HydrophobicContact CG1-CZ 4.03Å; V250-F256 HydrophobicContact CG2-CE1 4.1Å; V250-F256 HydrophobicContact CG2-CE2 3.97Å; V250-F256 HydrophobicContact CG2-CZ 3.67Å; H253-F256 HydrophobicContact CB-CB 4.42Å; H253-F256 VanDerWaalsContact O-CB 3.28Å; H253-F256 WeakPolarHBondContact O-CB 3.49Å; H253-F256 PolarHBondContact O-N 3.02Å; H253-F256 VanDerWaalsContact O-N 3.14Å; P254-F256 VanDerWaalsContact C-N 3.34Å; F256-D262 HydrophobicContact CD2-CB 4.24Å; F256-D262 HydrophobicContact CE2-CB 4.07Å; F256-V263 HydrophobicContact CE2-CG2 4.33Å; F256-V263 HydrophobicContact CZ-CG2 3.96Å | ||
| 257 | R | 84 | Confident | 88.8 | Confident | 119 Ų | 119 | 62.3 Ų | 62.3 | 45% | 0.449 | 35% | 0.345 | S | S | . | . | trans | -125.7 | 20.6 | 177.7 | -55.8 | -69.3 | 179.5 | -96.4 | 1.2 | 112.1 | E80 L81 P254 A255 | E80-R257 HydrophobicContact CB-CB 4.31Å; E80-R257 HydrophobicContact CG-CB 4Å; L81-R257 PolarHBondContact N-O 3.15Å; P254-R257 PolarHBondContact O-NH1 3.19Å; A255-R257 PolarHBondContact O-N 3.32Å; A255-R257 PolarHBondContact O-NH1 2.85Å | ||
| 258 | G | 85.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | trans | 93.1 | 11.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L260 | G258-L260 PolarHBondContact O-N 2.88Š| ||
| 259 | Q | 89.6 | Confident | 89.2 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 11% | 0.112 | 34% | 0.336 | C | S | . | . | trans | -62.6 | 127.1 | 178.9 | -60.5 | 91 | -11.1 | 0 | 0 | 111.1 | D77 R261 D262 | D77-Q259 CarbonylContact O-C 3.56Å; Q259-R261 HydrophobicContact CB-CG 4.19Å; Q259-R261 PolarHBondContact O-N 2.89Å; Q259-D262 PolarHBondContact O-N 2.94Å | ||
| 260 | L | 90.3 | Very high | 89.6 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -67.5 | -20.8 | -173.9 | -62.1 | 171.9 | 0 | 0 | 0 | 114 | F60 L74 D77 G258 D262 V263 K268 | F60-L260 HydrophobicContact CE1-CD2 3.73Å; F60-L260 HydrophobicContact CZ-CD2 3.97Å; L74-L260 HydrophobicContact CB-CD1 4.3Å; L74-L260 HydrophobicContact CD1-CD2 4.46Å; L74-L260 HydrophobicContact CD2-CD1 4Å; L74-L260 HydrophobicContact CD2-CD2 4.04Å; L74-L260 HydrophobicContact CG-CD1 3.76Å; L74-L260 HydrophobicContact CG-CD2 3.91Å; L74-L260 WeakPolarHBondContact O-CD1 3.34Å; D77-L260 PolarHBondContact O-N 3.46Å; D77-L260 VanDerWaalsContact O-N 3.08Å; G258-L260 PolarHBondContact O-N 2.88Å; L260-D262 PolarHBondContact O-N 3.37Å; L260-V263 PolarHBondContact O-N 2.9Å; L260-K268 HydrophobicContact CB-CD 4.15Å; L260-K268 HydrophobicContact CD2-CD 4.32Å; L260-K268 PolarHBondContact O-NZ 2.82Å |
| 261 | R | 90.5 | Very high | 90 | Very high | 127 Ų | 127 | 56 Ų | 56 | 48% | 0.479 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -59.8 | -28.9 | 175.4 | 64.8 | 176.6 | 126.8 | -150.9 | -1 | 113.4 | D77 D78 Q259 | D77-R261 HydrophobicContact CB-CB 4.13Å; D77-R261 PolarHBondContact O-N 3.46Å; D77-R261 VanDerWaalsContact O-N 3.11Å; D78-R261 VanDerWaalsContact CB-NH2 3.28Å; D78-R261 IonicContact OD1-CZ 3.2Å; D78-R261 IonicContact OD1-NE 3.6Å; D78-R261 PolarHBondContact OD1-NE 3.39Å; D78-R261 IonicContact OD1-NH1 3.27Å; D78-R261 PolarHBondContact OD1-NH1 3.3Å; D78-R261 IonicContact OD1-NH2 2.69Å; D78-R261 PolarHBondContact OD1-NH2 2.85Å; D78-R261 VanDerWaalsContact OD1-NH2 3.16Å; D78-R261 IonicContact OD2-CZ 2.87Å; D78-R261 VanDerWaalsContact OD2-CZ 3.27Å; D78-R261 IonicContact OD2-NH1 2.79Å; D78-R261 PolarHBondContact OD2-NH1 2.87Å; D78-R261 IonicContact OD2-NH2 3.43Å; D78-R261 PolarHBondContact OD2-NH2 3.39Å; Q259-R261 HydrophobicContact CB-CG 4.19Å; Q259-R261 PolarHBondContact O-N 2.89Å |
| 262 | D | 90.2 | Very high | 90.4 | Very high | 44 Ų | 44 | 57.1 Ų | 57.1 | 24% | 0.235 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -97.1 | -3.7 | -177.8 | -67.8 | -49.8 | 0 | 0 | 0 | 112.9 | K249 F256 Q259 L260 | K249-D262 HydrophobicContact CB-CB 4.22Å; K249-D262 HydrophobicContact CD-CB 3.94Å; K249-D262 WeakPolarHBondContact CD-OD1 3.49Å; K249-D262 IonicContact NZ-OD1 3.85Å; K249-D262 PolarHBondContact NZ-OD1 3.39Å; F256-D262 HydrophobicContact CD2-CB 4.24Å; F256-D262 HydrophobicContact CE2-CB 4.07Å; Q259-D262 PolarHBondContact O-N 2.94Å; L260-D262 PolarHBondContact O-N 3.37Å |
| 263 | V | 92.8 | Very high | 90.8 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -89.1 | 133.7 | 175.6 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | V250 F256 L260 F267 K268 | V250-V263 HydrophobicContact CG2-CB 4.4Å; V250-V263 HydrophobicContact CG2-CG2 3.91Å; F256-V263 HydrophobicContact CE2-CG2 4.33Å; F256-V263 HydrophobicContact CZ-CG2 3.96Å; L260-V263 PolarHBondContact O-N 2.9Å; V263-F267 HydrophobicContact CG1-CB 4.19Å; V263-F267 HydrophobicContact CG1-CD1 3.46Å; V263-F267 VanDerWaalsContact CG1-CD1 3.46Å; V263-F267 HydrophobicContact CG1-CE1 4.2Å; V263-F267 HydrophobicContact CG1-CG 4.12Å; V263-K268 HydrophobicContact CB-CD 4.3Å; V263-K268 HydrophobicContact CB-CG 4.2Å; V263-K268 HydrophobicContact CG1-CG 3.87Å; V263-K268 WeakPolarHBondContact O-CE 3.47Å |
| 264 | A | 94.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 49.3 Ų | 49.3 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | trans | -56 | 141.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P246 E266 F267 K268 | P246-A264 WeakPolarHBondContact O-CB 3.42Å; P246-A264 PolarHBondContact O-N 3.1Å; A264-E266 PolarHBondContact O-N 3.27Å; A264-F267 HydrophobicContact CB-CB 4.29Å; A264-F267 WeakPolarHBondContact O-CB 3.45Å; A264-F267 PolarHBondContact O-N 2.89Å; A264-K268 PolarHBondContact O-N 3.23Å; A264-K268 VanDerWaalsContact O-N 3.12Å | ||
| 265 | A | 94.8 | Very high | 92 | Very high | 70 Ų | 70 | 44 Ų | 44 | 58% | 0.579 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -61.9 | -45.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F267 K268 T269 | A265-F267 VanDerWaalsContact C-N 3.28Å; A265-F267 PolarHBondContact O-N 2.78Å; A265-K268 WeakPolarHBondContact O-CB 3.28Å; A265-K268 PolarHBondContact O-N 3.22Å; A265-K268 VanDerWaalsContact O-N 3.1Å; A265-T269 PolarHBondContact O-N 3.21Å; A265-T269 PolarHBondContact O-OG1 2.73Å |
| 266 | E | 95.3 | Very high | 92.5 | Very high | 123 Ų | 123 | 42.8 Ų | 42.8 | 58% | 0.575 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -60 | -39 | 177.6 | -67.2 | 176.8 | -147.1 | 0 | 0 | 112 | P244 A264 K268 T269 E270 | P244-E266 HydrophobicContact CG-CB 4.32Å; A264-E266 PolarHBondContact O-N 3.27Å; E266-K268 PolarHBondContact O-N 3.46Å; E266-T269 PolarHBondContact O-N 3.12Å; E266-E270 WeakPolarHBondContact O-CG 3.42Å; E266-E270 PolarHBondContact O-N 2.87Å |
| 267 | F | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 174.2 | -174.1 | -85.6 | 0 | 0 | 0 | 112.1 | F56 L243 P244 P246 V263 A264 A265 T269 E270 L271 | F56-F267 HydrophobicContact CE1-CE1 4.11Å; F56-F267 HydrophobicContact CE1-CZ 4.1Å; L243-F267 HydrophobicContact CD1-CD2 4.49Å; L243-F267 HydrophobicContact CD1-CE2 4.36Å; L243-F267 HydrophobicContact CD2-CD2 4.2Å; L243-F267 HydrophobicContact CD2-CE2 3.37Å; L243-F267 HydrophobicContact CD2-CZ 3.8Å; L243-F267 HydrophobicContact CG-CD2 4.03Å; L243-F267 HydrophobicContact CG-CE2 3.71Å; L243-F267 HydrophobicContact CG-CZ 4.47Å; P244-F267 HydrophobicContact CG-CB 4.14Å; P244-F267 HydrophobicContact CG-CD2 4.39Å; P244-F267 VanDerWaalsContact O-CD2 3.29Å; P244-F267 WeakPolarHBondContact O-CD2 3.03Å; P246-F267 HydrophobicContact CB-CD1 4.33Å; P246-F267 HydrophobicContact CB-CD2 3.77Å; P246-F267 HydrophobicContact CB-CE1 4.38Å; P246-F267 HydrophobicContact CB-CE2 3.82Å; P246-F267 HydrophobicContact CB-CG 4.03Å; P246-F267 HydrophobicContact CB-CZ 4.14Å; P246-F267 HydrophobicContact CG-CE2 4.46Å; V263-F267 HydrophobicContact CG1-CB 4.19Å; V263-F267 HydrophobicContact CG1-CD1 3.46Å; V263-F267 VanDerWaalsContact CG1-CD1 3.46Å; V263-F267 HydrophobicContact CG1-CE1 4.2Å; V263-F267 HydrophobicContact CG1-CG 4.12Å; A264-F267 HydrophobicContact CB-CB 4.29Å; A264-F267 WeakPolarHBondContact O-CB 3.45Å; A264-F267 PolarHBondContact O-N 2.89Å; A265-F267 VanDerWaalsContact C-N 3.28Å; A265-F267 PolarHBondContact O-N 2.78Å; F267-T269 VanDerWaalsContact C-N 3.35Å; F267-T269 PolarHBondContact O-N 3.19Å; F267-E270 PolarHBondContact O-N 2.84Å; F267-L271 HydrophobicContact CE1-CD2 4.1Å; F267-L271 VanDerWaalsContact O-CB 3.23Å; F267-L271 WeakPolarHBondContact O-CB 3.43Å; F267-L271 PolarHBondContact O-N 3.09Å |
| 268 | K | 94.8 | Very high | 93.4 | Very high | 43 Ų | 43 | 44 Ų | 44 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 176.8 | -68 | -173.9 | -73.9 | -166 | 0 | 111.4 | L74 L260 V263 A264 A265 E266 L271 Q272 | L74-K268 HydrophobicContact CD2-CB 4.13Å; L74-K268 HydrophobicContact CD2-CD 4.37Å; L74-K268 HydrophobicContact CD2-CG 4.24Å; L260-K268 HydrophobicContact CB-CD 4.15Å; L260-K268 HydrophobicContact CD2-CD 4.32Å; L260-K268 PolarHBondContact O-NZ 2.82Å; V263-K268 HydrophobicContact CB-CD 4.3Å; V263-K268 HydrophobicContact CB-CG 4.2Å; V263-K268 HydrophobicContact CG1-CG 3.87Å; V263-K268 WeakPolarHBondContact O-CE 3.47Å; A264-K268 PolarHBondContact O-N 3.23Å; A264-K268 VanDerWaalsContact O-N 3.12Å; A265-K268 WeakPolarHBondContact O-CB 3.28Å; A265-K268 PolarHBondContact O-N 3.22Å; A265-K268 VanDerWaalsContact O-N 3.1Å; E266-K268 PolarHBondContact O-N 3.46Å; K268-L271 PolarHBondContact O-N 3.19Å; K268-Q272 WeakPolarHBondContact O-CB 3.42Å; K268-Q272 WeakPolarHBondContact O-CG 3.43Å; K268-Q272 PolarHBondContact O-N 3.36Å |
| 269 | T | 95.3 | Very high | 93.8 | Very high | 81 Ų | 81 | 44 Ų | 44 | 50% | 0.497 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.6 | -48.5 | 177.3 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | A265 E266 F267 L271 Q272 A273 | A265-T269 PolarHBondContact O-N 3.21Å; A265-T269 PolarHBondContact O-OG1 2.73Å; E266-T269 PolarHBondContact O-N 3.12Å; F267-T269 VanDerWaalsContact C-N 3.35Å; F267-T269 PolarHBondContact O-N 3.19Å; T269-L271 VanDerWaalsContact C-N 3.34Å; T269-L271 PolarHBondContact O-N 2.99Å; T269-Q272 WeakPolarHBondContact O-CB 3.38Å; T269-Q272 PolarHBondContact O-N 3.41Å; T269-A273 PolarHBondContact O-N 3.44Å |
| 270 | E | 96.4 | Very high | 93.9 | Very high | 40 Ų | 40 | 46.3 Ų | 46.3 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.4 | -33.1 | -179.8 | -68.1 | -58.9 | 147 | 0 | 0 | 112.3 | Y201 G202 F241 L243 P244 E266 F267 Q272 A273 L274 | Y201-E270 HydrophobicContact CG-CG 4.45Å; G202-E270 WeakPolarHBondContact CA-OE2 3.17Å; G202-E270 PolarHBondContact N-OE2 2.94Å; F241-E270 HydrophobicContact CE1-CB 4.21Å; F241-E270 HydrophobicContact CZ-CB 4.14Å; F241-E270 WeakPolarHBondContact CZ-O 3.41Å; F241-E270 WeakPolarHBondContact CZ-OE2 3.4Å; L243-E270 HydrophobicContact CD1-CB 3.74Å; P244-E270 HydrophobicContact CG-CB 4.42Å; P244-E270 HydrophobicContact CG-CG 4.18Å; E266-E270 WeakPolarHBondContact O-CG 3.42Å; E266-E270 PolarHBondContact O-N 2.87Å; F267-E270 PolarHBondContact O-N 2.84Å; E270-Q272 VanDerWaalsContact C-N 3.34Å; E270-A273 PolarHBondContact O-N 2.93Å; E270-A273 VanDerWaalsContact O-N 3.16Å; E270-L274 WeakPolarHBondContact O-CB 3.44Å; E270-L274 PolarHBondContact O-N 3.48Å |
| 271 | L | 94.8 | Very high | 94 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.7 | -37.8 | 172.6 | -171 | 68.5 | 0 | 0 | 0 | 111.8 | L57 F60 W73 L74 F267 K268 T269 A273 L274 I275 | L57-L271 HydrophobicContact CD1-CD1 3.82Å; F60-L271 HydrophobicContact CB-CD1 4.44Å; F60-L271 HydrophobicContact CB-CD2 4.11Å; F60-L271 HydrophobicContact CD1-CD2 3.86Å; F60-L271 HydrophobicContact CD2-CD1 4.47Å; F60-L271 HydrophobicContact CD2-CD2 3.54Å; F60-L271 HydrophobicContact CE1-CD2 4.14Å; F60-L271 HydrophobicContact CE2-CD2 3.8Å; F60-L271 HydrophobicContact CG-CD2 3.57Å; F60-L271 HydrophobicContact CZ-CD2 4.1Å; W73-L271 HydrophobicContact CH2-CG 4.4Å; L74-L271 HydrophobicContact CD1-CD2 3.74Å; L74-L271 HydrophobicContact CD1-CG 4.38Å; F267-L271 HydrophobicContact CE1-CD2 4.1Å; F267-L271 VanDerWaalsContact O-CB 3.23Å; F267-L271 WeakPolarHBondContact O-CB 3.43Å; F267-L271 PolarHBondContact O-N 3.09Å; K268-L271 PolarHBondContact O-N 3.19Å; T269-L271 VanDerWaalsContact C-N 3.34Å; T269-L271 PolarHBondContact O-N 2.99Å; L271-A273 PolarHBondContact O-N 2.84Å; L271-L274 PolarHBondContact O-N 3.39Å; L271-I275 HydrophobicContact CD1-CD1 3.76Å; L271-I275 HydrophobicContact CD1-CG1 3.58Å; L271-I275 HydrophobicContact CG-CG1 3.97Å; L271-I275 WeakPolarHBondContact O-CG1 3.44Å; L271-I275 PolarHBondContact O-N 3.31Å; L271-I275 VanDerWaalsContact O-N 3.08Å |
| 272 | Q | 94.1 | Very high | 93.9 | Very high | 86 Ų | 86 | 45.5 Ų | 45.5 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.2 | -26.5 | 172.3 | -77 | 177.8 | -29.3 | 0 | 0 | 113.2 | W73 L74 K268 T269 E270 P276 | W73-Q272 HydrophobicContact CZ2-CG 4.41Å; L74-Q272 HydrophobicContact CD2-CG 4.28Å; K268-Q272 WeakPolarHBondContact O-CB 3.42Å; K268-Q272 WeakPolarHBondContact O-CG 3.43Å; K268-Q272 PolarHBondContact O-N 3.36Å; T269-Q272 WeakPolarHBondContact O-CB 3.38Å; T269-Q272 PolarHBondContact O-N 3.41Å; E270-Q272 VanDerWaalsContact C-N 3.34Å; Q272-P276 WeakPolarHBondContact O-CD 3.48Å; Q272-P276 VanDerWaalsContact O-CG 3.26Å; Q272-P276 WeakPolarHBondContact O-CG 3.03Å |
| 273 | A | 94.3 | Very high | 94 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -83 | -41.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T269 E270 L271 R277 | T269-A273 PolarHBondContact O-N 3.44Å; E270-A273 PolarHBondContact O-N 2.93Å; E270-A273 VanDerWaalsContact O-N 3.16Å; L271-A273 PolarHBondContact O-N 2.84Å; A273-R277 WeakPolarHBondContact O-CB 3.43Å |
| 274 | L | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.4 | -54.5 | -173.9 | 178 | 59 | 0 | 0 | 0 | 113 | L57 M187 L189 F203 F241 E270 L271 R277 L278 | L57-L274 HydrophobicContact CD1-CD2 4.21Å; M187-L274 HydrophobicContact CE-CD1 4Å; M187-L274 HydrophobicContact SD-CD1 4.12Å; L189-L274 HydrophobicContact CD1-CD2 3.89Å; L189-L274 HydrophobicContact CD2-CD2 4.45Å; F203-L274 HydrophobicContact CE2-CD1 4.18Å; F203-L274 HydrophobicContact CZ-CD1 3.87Å; F241-L274 HydrophobicContact CB-CD1 4.3Å; F241-L274 HydrophobicContact CD1-CD1 4.26Å; F241-L274 HydrophobicContact CD1-CD2 4.22Å; F241-L274 HydrophobicContact CD2-CB 4.44Å; F241-L274 HydrophobicContact CD2-CD1 3.7Å; F241-L274 HydrophobicContact CE1-CB 4.18Å; F241-L274 HydrophobicContact CE1-CD2 4.29Å; F241-L274 HydrophobicContact CE2-CB 3.88Å; F241-L274 HydrophobicContact CE2-CD1 4Å; F241-L274 HydrophobicContact CE2-CG 4.47Å; F241-L274 HydrophobicContact CG-CD1 3.82Å; F241-L274 HydrophobicContact CZ-CB 3.74Å; F241-L274 HydrophobicContact CZ-CD1 4.44Å; F241-L274 HydrophobicContact CZ-CG 4.5Å; E270-L274 WeakPolarHBondContact O-CB 3.44Å; E270-L274 PolarHBondContact O-N 3.48Å; L271-L274 PolarHBondContact O-N 3.39Å; L274-R277 WeakPolarHBondContact O-CB 3.49Å; L274-R277 PolarHBondContact O-N 2.98Å; L274-L278 HydrophobicContact CD1-CD1 3.7Å; L274-L278 HydrophobicContact CD1-CG 4.18Å; L274-L278 HydrophobicContact CG-CD1 3.99Å; L274-L278 PolarHBondContact O-N 3.47Å |
| 275 | I | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65 | -46.9 | -168.7 | -57.7 | -52.1 | 0 | 0 | 0 | 112.2 | L57 M61 Y64 W73 L271 R277 L278 L279 | L57-I275 HydrophobicContact CD1-CD1 3.93Å; M61-I275 HydrophobicContact CE-CD1 3.77Å; M61-I275 HydrophobicContact CG-CD1 3.66Å; M61-I275 HydrophobicContact CG-CG2 4.31Å; Y64-I275 HydrophobicContact CD1-CG2 4.14Å; Y64-I275 HydrophobicContact CD2-CG2 4.22Å; Y64-I275 HydrophobicContact CG-CG2 3.71Å; W73-I275 HydrophobicContact CH2-CB 3.56Å; W73-I275 HydrophobicContact CH2-CG1 3.64Å; W73-I275 HydrophobicContact CH2-CG2 3.9Å; W73-I275 HydrophobicContact CZ2-CB 3.9Å; W73-I275 HydrophobicContact CZ2-CG1 4.38Å; W73-I275 HydrophobicContact CZ2-CG2 4.37Å; W73-I275 HydrophobicContact CZ3-CB 4.35Å; W73-I275 HydrophobicContact CZ3-CG1 4.4Å; W73-I275 HydrophobicContact CZ3-CG2 4.21Å; L271-I275 HydrophobicContact CD1-CD1 3.76Å; L271-I275 HydrophobicContact CD1-CG1 3.58Å; L271-I275 HydrophobicContact CG-CG1 3.97Å; L271-I275 WeakPolarHBondContact O-CG1 3.44Å; L271-I275 PolarHBondContact O-N 3.31Å; L271-I275 VanDerWaalsContact O-N 3.08Å; I275-R277 VanDerWaalsContact C-N 3.29Å; I275-R277 PolarHBondContact O-N 3.33Å; I275-L278 PolarHBondContact O-N 2.9Å; I275-L278 VanDerWaalsContact O-N 3.14Å; I275-L279 HydrophobicContact CG2-CD1 3.93Å; I275-L279 PolarHBondContact O-N 3.16Å |
| 276 | P | 93.6 | Very high | 93.9 | Very high | 30 Ų | 30 | 43.9 Ų | 43.9 | 20% | 0.195 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.7 | -36.7 | 175.3 | -23.3 | 36.5 | 0 | 0 | 0 | 111.9 | Y64 W73 Q272 L278 L279 H280 | Y64-P276 HydrophobicContact CD2-CG 4.5Å; Y64-P276 HydrophobicContact CE2-CB 4.16Å; Y64-P276 HydrophobicContact CE2-CG 3.92Å; W73-P276 HydrophobicContact CZ2-CG 4.27Å; Q272-P276 WeakPolarHBondContact O-CD 3.48Å; Q272-P276 VanDerWaalsContact O-CG 3.26Å; Q272-P276 WeakPolarHBondContact O-CG 3.03Å; P276-L278 PolarHBondContact O-N 3.37Å; P276-L279 PolarHBondContact O-N 2.89Å; P276-H280 WeakPolarHBondContact O-CA 3.3Å; P276-H280 WeakPolarHBondContact O-CB 3.2Å; P276-H280 PolarHBondContact O-N 3.18Å |
| 277 | R | 93.6 | Very high | 94 | Very high | 136 Ų | 136 | 38 Ų | 38 | 51% | 0.513 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.7 | -31 | 177.5 | -173.2 | 55.8 | 164.8 | 174 | -3.8 | 112.6 | F203 A273 L274 I275 N283 | F203-R277 HydrophobicContact CD2-CG 4.15Å; F203-R277 HydrophobicContact CE2-CB 3.78Å; F203-R277 HydrophobicContact CE2-CG 3.41Å; F203-R277 VanDerWaalsContact CE2-CG 3.41Å; F203-R277 HydrophobicContact CZ-CB 4.37Å; F203-R277 HydrophobicContact CZ-CG 3.86Å; A273-R277 WeakPolarHBondContact O-CB 3.43Å; L274-R277 WeakPolarHBondContact O-CB 3.49Å; L274-R277 PolarHBondContact O-N 2.98Å; I275-R277 VanDerWaalsContact C-N 3.29Å; I275-R277 PolarHBondContact O-N 3.33Å; R277-N283 VanDerWaalsContact O-CB 3.28Å; R277-N283 WeakPolarHBondContact O-CB 3.03Å; R277-N283 PolarHBondContact O-ND2 3.02Å |
| 278 | L | 93.8 | Very high | 93.8 | Very high | 20 Ų | 20 | 41.5 Ų | 41.5 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -86 | -36.5 | 177.9 | -66.6 | 170.5 | 0 | 0 | 0 | 113.6 | L44 M61 V147 I149 M187 L274 I275 P276 | L44-L278 HydrophobicContact CD1-CB 4.29Å; M61-L278 HydrophobicContact CE-CD1 3.72Å; V147-L278 HydrophobicContact CG1-CD2 4.44Å; I149-L278 HydrophobicContact CD1-CD1 3.79Å; M187-L278 HydrophobicContact CE-CD1 4.01Å; M187-L278 HydrophobicContact CE-CD2 4.25Å; M187-L278 HydrophobicContact SD-CD2 3.86Å; L274-L278 HydrophobicContact CD1-CD1 3.7Å; L274-L278 HydrophobicContact CD1-CG 4.18Å; L274-L278 HydrophobicContact CG-CD1 3.99Å; L274-L278 PolarHBondContact O-N 3.47Å; I275-L278 PolarHBondContact O-N 2.9Å; I275-L278 VanDerWaalsContact O-N 3.14Å; P276-L278 PolarHBondContact O-N 3.37Å |
| 279 | L | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -116.3 | -1.3 | -166.7 | -64.7 | 175 | 0 | 0 | 0 | 115.1 | L44 M61 Y64 M65 V116 L118 I275 P276 L284 | L44-L279 HydrophobicContact CD1-CD2 4.27Å; L44-L279 HydrophobicContact CD2-CD2 4.5Å; M61-L279 HydrophobicContact CB-CD1 3.62Å; M61-L279 HydrophobicContact CG-CD1 3.8Å; Y64-L279 HydrophobicContact CD1-CB 3.6Å; Y64-L279 HydrophobicContact CD1-CD1 3.98Å; Y64-L279 HydrophobicContact CD1-CG 4.46Å; Y64-L279 HydrophobicContact CE1-CB 3.53Å; M65-L279 HydrophobicContact CG-CD1 4Å; M65-L279 HydrophobicContact SD-CB 4.06Å; M65-L279 HydrophobicContact SD-CD1 4.08Å; M65-L279 HydrophobicContact SD-CD2 4.12Å; M65-L279 HydrophobicContact SD-CG 4.32Å; V116-L279 HydrophobicContact CG1-CD2 4.43Å; L118-L279 HydrophobicContact CD2-CD2 4.39Å; I275-L279 HydrophobicContact CG2-CD1 3.93Å; I275-L279 PolarHBondContact O-N 3.16Å; P276-L279 PolarHBondContact O-N 2.89Å; L279-L284 HydrophobicContact CD2-CD2 4.28Å |
| 280 | H | 92.3 | Very high | 92.5 | Very high | 74 Ų | 74 | 37.3 Ų | 37.3 | 34% | 0.343 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -59.6 | 136.8 | 171.5 | -172 | -87.1 | 0 | 0 | 0 | 109.9 | P276 D282 N283 L284 | P276-H280 WeakPolarHBondContact O-CA 3.3Å; P276-H280 WeakPolarHBondContact O-CB 3.2Å; P276-H280 PolarHBondContact O-N 3.18Å; H280-D282 IonicContact CE1-OD2 3.82Å; H280-D282 PolarHBondContact CE1-OD2 3.06Å; H280-D282 PolarHBondContact ND1-N 2.9Å; H280-D282 IonicContact ND1-OD2 3.4Å; H280-D282 PolarHBondContact O-N 3.33Å; H280-D282 VanDerWaalsContact O-N 3.07Å; H280-N283 PolarHBondContact O-N 3.17Å; H280-L284 PolarHBondContact O-N 3.34Å |
| 281 | P | 91.4 | Very high | 91.7 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -46.9 | -44 | -174.7 | -30.5 | 35 | 0 | 0 | 0 | 114.5 | V106 Q107 N283 L284 | V106-P281 HydrophobicContact CG1-CB 3.99Å; V106-P281 HydrophobicContact CG1-CG 3.84Å; Q107-P281 WeakPolarHBondContact O-CB 3.22Å; P281-N283 VanDerWaalsContact C-N 3.28Å; P281-N283 PolarHBondContact O-N 2.97Å; P281-L284 WeakPolarHBondContact O-CB 3.36Å; P281-L284 PolarHBondContact O-N 3.35Å |
| 282 | D | 89 | Confident | 91.3 | Very high | 85 Ų | 85 | 39 Ų | 39 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -73.4 | -15.3 | -177.8 | -56 | -31.2 | 0 | 0 | 0 | 114.7 | S109 H280 | S109-D282 WeakPolarHBondContact CB-OD1 3.48Å; S109-D282 PolarHBondContact N-OD1 3.37Å; S109-D282 PolarHBondContact OG-OD1 2.86Å; H280-D282 IonicContact CE1-OD2 3.82Å; H280-D282 PolarHBondContact CE1-OD2 3.06Å; H280-D282 PolarHBondContact ND1-N 2.9Å; H280-D282 IonicContact ND1-OD2 3.4Å; H280-D282 PolarHBondContact O-N 3.33Å; H280-D282 VanDerWaalsContact O-N 3.07Å |
| 283 | N | 91.3 | Very high | 91.2 | Very high | 63 Ų | 63 | 39.1 Ų | 39.1 | 34% | 0.337 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -96.6 | -7.8 | 177.4 | -62.6 | -36.5 | 0 | 0 | 0 | 112.5 | R277 H280 P281 A285 | R277-N283 VanDerWaalsContact O-CB 3.28Å; R277-N283 WeakPolarHBondContact O-CB 3.03Å; R277-N283 PolarHBondContact O-ND2 3.02Å; H280-N283 PolarHBondContact O-N 3.17Å; P281-N283 VanDerWaalsContact C-N 3.28Å; P281-N283 PolarHBondContact O-N 2.97Å; N283-A285 PolarHBondContact O-N 3.42Å; N283-A285 VanDerWaalsContact O-N 3.14Å |
| 284 | L | 93.2 | Very high | 91.2 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | trans | -72.1 | 106.3 | -178 | -66.5 | 175.6 | 0 | 0 | 0 | 110.6 | V42 V106 K108 V114 V116 L279 H280 P281 | V42-L284 HydrophobicContact CG1-CB 4.29Å; V42-L284 HydrophobicContact CG1-CD2 4Å; V42-L284 HydrophobicContact CG2-CB 4.05Å; V106-L284 HydrophobicContact CB-CD1 3.97Å; V106-L284 HydrophobicContact CG1-CD1 3.8Å; V106-L284 HydrophobicContact CG2-CD1 4.14Å; K108-L284 WeakPolarHBondContact CE-O 3.31Å; K108-L284 PolarHBondContact NZ-O 3.02Å; V114-L284 HydrophobicContact CG2-CD1 4.05Å; V116-L284 HydrophobicContact CG2-CD1 3.63Å; V116-L284 HydrophobicContact CG2-CD2 4.1Å; V116-L284 HydrophobicContact CG2-CG 4.49Å; L279-L284 HydrophobicContact CD2-CD2 4.28Å; H280-L284 PolarHBondContact O-N 3.34Å; P281-L284 WeakPolarHBondContact O-CB 3.36Å; P281-L284 PolarHBondContact O-N 3.35Å | ||
| 285 | A | 92.1 | Very high | 91.2 | Very high | 40 Ų | 40 | 38.7 Ų | 38.7 | 33% | 0.331 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -85.3 | 117 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V42 S146 N283 | V42-A285 WeakPolarHBondContact CG1-O 3.46Å; S146-A285 VanDerWaalsContact CB-O 3.23Å; S146-A285 WeakPolarHBondContact CB-O 3.34Å; S146-A285 PolarHBondContact OG-O 3.3Å; N283-A285 PolarHBondContact O-N 3.42Å; N283-A285 VanDerWaalsContact O-N 3.14Å |
| 286 | E | 95.8 | Very high | 91.2 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 7% | 0.065 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 145.5 | 172.2 | -56.9 | 94.5 | 136.1 | 0 | 0 | 109.9 | H40 V41 V42 K108 V114 Q184 E288 K293 | H40-E286 HydrophobicContact CB-CB 4.27Å; H40-E286 HydrophobicContact CB-CG 3.85Å; V41-E286 CarbonylContact O-C 3.59Å; V41-E286 WeakPolarHBondContact O-CA 3.45Å; V42-E286 HydrophobicContact CG2-CG 4.33Å; K108-E286 IonicContact NZ-OE1 3.72Å; K108-E286 PolarHBondContact NZ-OE1 3.37Å; K108-E286 IonicContact NZ-OE2 3.49Å; K108-E286 PolarHBondContact NZ-OE2 2.97Å; V114-E286 HydrophobicContact CG1-CG 3.78Å; Q184-E286 PolarHBondContact NE2-O 2.98Å; Q184-E286 PolarHBondContact OE1-O 2.99Å; E286-E288 PolarHBondContact O-N 3.46Å; E286-K293 HydrophobicContact CB-CD 4.34Å; E286-K293 HydrophobicContact CB-CG 4.45Å; E286-K293 HydrophobicContact CG-CD 4.37Å; E286-K293 IonicContact OE1-NZ 3.52Å; E286-K293 PolarHBondContact OE1-NZ 3.31Å; E286-K293 IonicContact OE2-NZ 3.91Å |
| 287 | K | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 125.6 | 174.5 | 179.6 | 54.9 | 172.9 | 178.2 | 0 | 109.2 | V41 M143 S145 M289 K293 V294 | V41-K287 HydrophobicContact CG1-CB 4.04Å; V41-K287 PolarHBondContact O-N 3.29Å; M143-K287 WeakPolarHBondContact O-CE 3.43Å; M143-K287 PolarHBondContact O-NZ 2.64Å; S145-K287 WeakPolarHBondContact O-CD 3.27Å; S145-K287 WeakPolarHBondContact O-CE 3.49Å; S145-K287 PolarHBondContact O-NZ 3.19Å; K287-M289 VanDerWaalsContact CE-CE 3.43Å; K287-K293 CarbonylContact O-C 3.55Å; K287-K293 WeakPolarHBondContact O-CA 3.16Å; K287-V294 HydrophobicContact CB-CB 4.2Å; K287-V294 HydrophobicContact CG-CB 4.06Å; K287-V294 HydrophobicContact CG-CG2 4.05Å; K287-V294 PolarHBondContact O-N 3.03Å |
| 288 | E | 92.3 | Very high | 91.2 | Very high | 74 Ų | 74 | 32.3 Ų | 32.3 | 35% | 0.346 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 141.3 | 173.7 | -67.9 | 179 | 177.6 | 0 | 0 | 110.8 | Q184 E286 N292 K293 | Q184-E288 VanDerWaalsContact OE1-N 3.11Å; E286-E288 PolarHBondContact O-N 3.46Å; E288-N292 VanDerWaalsContact CA-O 3.26Å; E288-N292 WeakPolarHBondContact CA-O 3.32Å; E288-K293 HydrophobicContact CG-CG 4.21Å |
| 289 | M | 84.7 | Confident | 91.3 | Very high | 11 Ų | 11 | 31.4 Ų | 31.4 | 5% | 0.054 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 121 | 172.3 | -65.7 | -67.6 | -146.6 | 0 | 0 | 107.6 | M143 K287 G291 N292 V294 F302 Y306 | M143-M289 WeakPolarHBondContact O-CE 3.48Å; K287-M289 VanDerWaalsContact CE-CE 3.43Å; M289-G291 PolarHBondContact O-N 3.44Å; M289-N292 PolarHBondContact N-O 2.88Å; M289-N292 PolarHBondContact O-N 3.1Å; M289-N292 VanDerWaalsContact O-N 3.09Å; M289-V294 HydrophobicContact CB-CG2 3.93Å; M289-V294 HydrophobicContact CG-CG2 3.62Å; M289-F302 HydrophobicContact CB-CE1 4.26Å; M289-F302 HydrophobicContact CB-CE2 4.41Å; M289-F302 HydrophobicContact CB-CZ 3.77Å; M289-F302 HydrophobicContact CE-CD1 3.97Å; M289-F302 HydrophobicContact CE-CE1 4.16Å; M289-F302 HydrophobicContact CE-CG 4.32Å; M289-F302 HydrophobicContact CG-CE1 3.98Å; M289-F302 HydrophobicContact CG-CE2 4.06Å; M289-F302 HydrophobicContact CG-CZ 3.69Å; M289-Y306 HydrophobicContact CE-CE2 3.94Å; M289-Y306 VanDerWaalsContact CE-OH 3.3Å; M289-Y306 WeakPolarHBondContact CE-OH 3.13Å |
| 290 | N | 78.1 | Confident | 91.3 | Very high | 26 Ų | 26 | 31.5 Ų | 31.5 | 14% | 0.139 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 33.9 | -173 | -156.5 | 13.9 | 0 | 0 | 0 | 114.3 | I178 N292 M382 | I178-N290 WeakPolarHBondContact CG2-OD1 3.15Å; N290-N292 PolarHBondContact O-N 3.33Å; N290-M382 HydrophobicContact CB-CE 3.46Å; N290-M382 VanDerWaalsContact CB-CE 3.46Å; N290-M382 HydrophobicContact CB-CG 4.13Å; N290-M382 VanDerWaalsContact ND2-CG 3.25Å; N290-M382 WeakPolarHBondContact ND2-CG 3.01Å |
| 291 | G | 80.3 | Confident | 91.3 | Very high | 39 Ų | 39 | 29.5 Ų | 29.5 | 40% | 0.402 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 10 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | M289 | M289-G291 PolarHBondContact O-N 3.44Š|
| 292 | N | 85 | Confident | 91.3 | Very high | 37 Ų | 37 | 28.3 Ų | 28.3 | 20% | 0.198 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.9 | 169.5 | -58.6 | -56.6 | 0 | 0 | 0 | 110.4 | E288 M289 N290 V294 K380 | E288-N292 VanDerWaalsContact CA-O 3.26Å; E288-N292 WeakPolarHBondContact CA-O 3.32Å; M289-N292 PolarHBondContact N-O 2.88Å; M289-N292 PolarHBondContact O-N 3.1Å; M289-N292 VanDerWaalsContact O-N 3.09Å; N290-N292 PolarHBondContact O-N 3.33Å; N292-V294 PolarHBondContact O-N 3.27Å; N292-K380 PolarHBondContact ND2-O 2.92Å |
| 293 | K | 92.8 | Very high | 91.5 | Very high | 88 Ų | 88 | 24.3 Ų | 24.3 | 38% | 0.383 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 130.3 | 171.8 | -63.7 | -173.9 | 178.3 | -169.6 | 0 | 110.5 | E286 K287 E288 | E286-K293 HydrophobicContact CB-CD 4.34Å; E286-K293 HydrophobicContact CB-CG 4.45Å; E286-K293 HydrophobicContact CG-CD 4.37Å; E286-K293 IonicContact OE1-NZ 3.52Å; E286-K293 PolarHBondContact OE1-NZ 3.31Å; E286-K293 IonicContact OE2-NZ 3.91Å; K287-K293 CarbonylContact O-C 3.55Å; K287-K293 WeakPolarHBondContact O-CA 3.16Å; E288-K293 HydrophobicContact CG-CG 4.21Å |
| 294 | V | 94.2 | Very high | 91.5 | Very high | 10 Ų | 10 | 24 Ų | 24 | 6% | 0.061 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -89.5 | 136 | -179.4 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | H40 V41 K287 M289 N292 L299 F302 | H40-V294 WeakPolarHBondContact CA-O 3.24Å; V41-V294 HydrophobicContact CG1-CB 4.46Å; V41-V294 HydrophobicContact CG1-CG1 4.31Å; V41-V294 PolarHBondContact N-O 3.46Å; K287-V294 HydrophobicContact CB-CB 4.2Å; K287-V294 HydrophobicContact CG-CB 4.06Å; K287-V294 HydrophobicContact CG-CG2 4.05Å; K287-V294 PolarHBondContact O-N 3.03Å; M289-V294 HydrophobicContact CB-CG2 3.93Å; M289-V294 HydrophobicContact CG-CG2 3.62Å; N292-V294 PolarHBondContact O-N 3.27Å; V294-L299 HydrophobicContact CG1-CB 4.13Å; V294-F302 HydrophobicContact CG1-CD2 4.03Å; V294-F302 HydrophobicContact CG1-CE2 3.96Å; V294-F302 HydrophobicContact CG2-CE2 3.88Å |
| 295 | T | 95.8 | Very high | 91.3 | Very high | 32 Ų | 32 | 23.9 Ų | 23.9 | 20% | 0.196 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -90.6 | 166.1 | 172.1 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | K39 R297 G298 L299 | K39-T295 VanDerWaalsContact O-CA 3.24Å; K39-T295 WeakPolarHBondContact O-CA 3.41Å; T295-R297 PolarHBondContact O-N 2.91Å; T295-G298 PolarHBondContact O-N 3.43Å; T295-G298 PolarHBondContact OG1-N 2.83Å; T295-L299 PolarHBondContact O-N 3.18Å |
| 296 | C | 96.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.4 | -41.8 | 174.2 | -65.6 | 0 | 0 | 0 | 0 | 112 | L31 V36 K39 A115 L299 L300 | L31-C296 HydrophobicContact CB-CB 4.28Å; L31-C296 HydrophobicContact CD2-CB 4.22Å; L31-C296 VanDerWaalsContact O-CB 3.29Å; L31-C296 WeakPolarHBondContact O-CB 3.12Å; V36-C296 PolarHBondContact O-SG 2.99Å; K39-C296 PolarHBondContact O-N 3.04Å; K39-C296 VanDerWaalsContact O-N 3.09Å; A115-C296 WeakPolarHBondContact CB-SG 3.31Å; C296-L299 WeakPolarHBondContact O-CB 3.34Å; C296-L299 PolarHBondContact O-N 3.48Å; C296-L300 PolarHBondContact O-N 2.87Å |
| 297 | R | 94 | Very high | 90.7 | Very high | 29 Ų | 29 | 21.7 Ų | 21.7 | 11% | 0.109 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60 | -46.4 | 172.6 | -176.2 | -168.1 | -50.7 | -117 | 0.2 | 112.6 | L32 R37 D38 T295 L299 L300 A335 D339 | L32-R297 HydrophobicContact CD2-CB 4.02Å; L32-R297 HydrophobicContact CD2-CG 3.92Å; R37-R297 WeakPolarHBondContact O-CB 3.14Å; R37-R297 PolarHBondContact O-N 3.28Å; R37-R297 VanDerWaalsContact O-N 3.08Å; D38-R297 IonicContact OD1-CZ 3.99Å; D38-R297 IonicContact OD1-NE 3.87Å; D38-R297 IonicContact OD1-NH2 2.78Å; D38-R297 PolarHBondContact OD1-NH2 2.92Å; T295-R297 PolarHBondContact O-N 2.91Å; R297-L299 VanDerWaalsContact C-N 3.29Å; R297-L299 PolarHBondContact O-N 3.49Å; R297-L300 WeakPolarHBondContact O-CB 3.5Å; R297-L300 PolarHBondContact O-N 3.42Å; R297-A335 HydrophobicContact CG-CB 4.4Å; R297-D339 IonicContact CZ-OD1 3.16Å; R297-D339 IonicContact CZ-OD2 2.62Å; R297-D339 IonicContact NH1-OD1 3.68Å; R297-D339 PolarHBondContact NH1-OD1 3.39Å; R297-D339 IonicContact NH1-OD2 2.97Å; R297-D339 IonicContact NH2-OD1 3.06Å; R297-D339 PolarHBondContact NH2-OD1 3.31Å; R297-D339 IonicContact NH2-OD2 3.25Å; R297-D339 PolarHBondContact NH2-OD2 3.43Å |
| 298 | G | 92.9 | Very high | 90.2 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T295 L300 E301 F302 | T295-G298 PolarHBondContact O-N 3.43Å; T295-G298 PolarHBondContact OG1-N 2.83Å; G298-L300 VanDerWaalsContact C-N 3.28Å; G298-L300 PolarHBondContact O-N 3.34Å; G298-E301 PolarHBondContact O-N 2.84Å; G298-E301 VanDerWaalsContact O-N 3.1Å; G298-F302 WeakPolarHBondContact O-CD2 3.26Å; G298-F302 PolarHBondContact O-N 3.44Å |
| 299 | L | 95.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.4 | -37.3 | 178.6 | -174.8 | 66.2 | 0 | 0 | 0 | 112.5 | L31 V41 V43 V294 T295 C296 R297 E301 F302 F303 | L31-L299 HydrophobicContact CD1-CB 4.22Å; L31-L299 HydrophobicContact CD1-CD2 4.05Å; L31-L299 HydrophobicContact CD1-CG 4.19Å; L31-L299 HydrophobicContact CD2-CD2 4.35Å; V41-L299 HydrophobicContact CG1-CB 4.2Å; V41-L299 HydrophobicContact CG1-CD2 4.04Å; V41-L299 HydrophobicContact CG2-CD2 4.04Å; V43-L299 HydrophobicContact CG2-CD1 4.43Å; V43-L299 HydrophobicContact CG2-CD2 3.57Å; V294-L299 HydrophobicContact CG1-CB 4.13Å; T295-L299 PolarHBondContact O-N 3.18Å; C296-L299 WeakPolarHBondContact O-CB 3.34Å; C296-L299 PolarHBondContact O-N 3.48Å; R297-L299 VanDerWaalsContact C-N 3.29Å; R297-L299 PolarHBondContact O-N 3.49Å; L299-E301 VanDerWaalsContact C-N 3.32Å; L299-E301 PolarHBondContact O-N 3.49Å; L299-F302 PolarHBondContact O-N 2.96Å; L299-F303 HydrophobicContact CD1-CD2 4.35Å; L299-F303 HydrophobicContact CD1-CE2 4.16Å; L299-F303 HydrophobicContact CD2-CE2 4.33Å; L299-F303 HydrophobicContact CG-CD2 4.07Å; L299-F303 HydrophobicContact CG-CE2 4.01Å; L299-F303 WeakPolarHBondContact O-CD2 3.41Å; L299-F303 PolarHBondContact O-N 3.48Å |
| 300 | L | 94.8 | Very high | 89.6 | Confident | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.8 | -43 | 174.7 | 175.2 | 63.8 | 0 | 0 | 0 | 112 | L27 A28 L31 L32 C296 R297 G298 F303 K304 | L27-L300 HydrophobicContact CB-CD1 4.12Å; L27-L300 HydrophobicContact CD2-CD1 3.58Å; L27-L300 HydrophobicContact CG-CD1 3.7Å; A28-L300 HydrophobicContact CB-CD2 4.14Å; L31-L300 HydrophobicContact CD1-CB 4.24Å; L32-L300 HydrophobicContact CD1-CD2 3.71Å; L32-L300 HydrophobicContact CD2-CD2 4Å; L32-L300 HydrophobicContact CG-CD2 3.88Å; C296-L300 PolarHBondContact O-N 2.87Å; R297-L300 WeakPolarHBondContact O-CB 3.5Å; R297-L300 PolarHBondContact O-N 3.42Å; G298-L300 VanDerWaalsContact C-N 3.28Å; G298-L300 PolarHBondContact O-N 3.34Å; L300-F303 PolarHBondContact O-N 2.71Å; L300-K304 HydrophobicContact CG-CD 4.49Å; L300-K304 WeakPolarHBondContact O-CG 3.49Å; L300-K304 PolarHBondContact O-N 3.07Å; L300-K304 VanDerWaalsContact O-N 3.07Å |
| 301 | E | 92.6 | Very high | 89.6 | Confident | 31 Ų | 31 | 28.7 Ų | 28.7 | 15% | 0.145 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68 | -35.9 | 179.1 | -60.9 | -51.3 | 131 | 0 | 0 | 111.8 | G298 L299 K304 A305 L331 | G298-E301 PolarHBondContact O-N 2.84Å; G298-E301 VanDerWaalsContact O-N 3.1Å; L299-E301 VanDerWaalsContact C-N 3.32Å; L299-E301 PolarHBondContact O-N 3.49Å; E301-K304 PolarHBondContact O-N 3.43Å; E301-K304 IonicContact OE1-NZ 3.45Å; E301-K304 PolarHBondContact OE1-NZ 3.31Å; E301-K304 IonicContact OE2-NZ 3.21Å; E301-A305 PolarHBondContact O-N 3.07Å; E301-L331 HydrophobicContact CB-CB 4.36Å; E301-L331 HydrophobicContact CG-CB 4.48Å |
| 302 | F | 91.7 | Very high | 89.2 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 1% | 0.013 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 171.1 | -75.2 | -72.4 | 0 | 0 | 0 | 112.2 | M289 V294 G298 L299 K304 A305 Y306 T325 A328 N329 | M289-F302 HydrophobicContact CB-CE1 4.26Å; M289-F302 HydrophobicContact CB-CE2 4.41Å; M289-F302 HydrophobicContact CB-CZ 3.77Å; M289-F302 HydrophobicContact CE-CD1 3.97Å; M289-F302 HydrophobicContact CE-CE1 4.16Å; M289-F302 HydrophobicContact CE-CG 4.32Å; M289-F302 HydrophobicContact CG-CE1 3.98Å; M289-F302 HydrophobicContact CG-CE2 4.06Å; M289-F302 HydrophobicContact CG-CZ 3.69Å; V294-F302 HydrophobicContact CG1-CD2 4.03Å; V294-F302 HydrophobicContact CG1-CE2 3.96Å; V294-F302 HydrophobicContact CG2-CE2 3.88Å; G298-F302 WeakPolarHBondContact O-CD2 3.26Å; G298-F302 PolarHBondContact O-N 3.44Å; L299-F302 PolarHBondContact O-N 2.96Å; F302-K304 VanDerWaalsContact C-N 3.34Å; F302-K304 PolarHBondContact O-N 3.35Å; F302-A305 PolarHBondContact O-N 2.8Å; F302-Y306 HydrophobicContact CB-CD2 4.21Å; F302-Y306 HydrophobicContact CB-CE2 3.92Å; F302-Y306 AromaticContact CD1-CE2 3.91Å; F302-Y306 HydrophobicContact CD1-CE2 3.91Å; F302-Y306 AromaticContact CD1-CZ 3.88Å; F302-Y306 HydrophobicContact CG-CE2 4.33Å; F302-Y306 WeakPolarHBondContact O-CB 3.49Å; F302-Y306 WeakPolarHBondContact O-CD2 3.3Å; F302-Y306 VanDerWaalsContact O-CG 3.25Å; F302-Y306 PolarHBondContact O-N 3.3Å; F302-T325 HydrophobicContact CE1-CG2 4.28Å; F302-A328 HydrophobicContact CB-CB 4.45Å; F302-A328 HydrophobicContact CD1-CB 3.31Å; F302-A328 HydrophobicContact CE1-CB 3.58Å; F302-A328 HydrophobicContact CG-CB 3.95Å; F302-A328 HydrophobicContact CZ-CB 4.4Å; F302-N329 HydrophobicContact CE1-CB 4.41Å; F302-N329 HydrophobicContact CZ-CB 4.15Å |
| 303 | F | 91.9 | Very high | 88.3 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.8 | -44.5 | 175.4 | -92.8 | -77.7 | 0 | 0 | 0 | 112.4 | L22 L27 M119 T144 L299 L300 I307 | L22-F303 HydrophobicContact CD1-CB 4.23Å; L22-F303 HydrophobicContact CD1-CD1 4.13Å; L22-F303 HydrophobicContact CD2-CB 4.16Å; L27-F303 HydrophobicContact CD2-CB 3.59Å; L27-F303 HydrophobicContact CD2-CD1 4.33Å; L27-F303 HydrophobicContact CD2-CD2 3.82Å; L27-F303 HydrophobicContact CD2-CG 3.66Å; M119-F303 HydrophobicContact CE-CE2 4.4Å; M119-F303 HydrophobicContact CE-CZ 3.68Å; T144-F303 HydrophobicContact CG2-CD1 4.18Å; T144-F303 HydrophobicContact CG2-CD2 4.01Å; T144-F303 HydrophobicContact CG2-CE1 3.93Å; T144-F303 HydrophobicContact CG2-CE2 3.74Å; T144-F303 HydrophobicContact CG2-CG 4.21Å; T144-F303 HydrophobicContact CG2-CZ 3.7Å; T144-F303 WeakPolarHBondContact OG1-CZ 3.34Å; L299-F303 HydrophobicContact CD1-CD2 4.35Å; L299-F303 HydrophobicContact CD1-CE2 4.16Å; L299-F303 HydrophobicContact CD2-CE2 4.33Å; L299-F303 HydrophobicContact CG-CD2 4.07Å; L299-F303 HydrophobicContact CG-CE2 4.01Å; L299-F303 WeakPolarHBondContact O-CD2 3.41Å; L299-F303 PolarHBondContact O-N 3.48Å; L300-F303 PolarHBondContact O-N 2.71Å; F303-I307 WeakPolarHBondContact O-CB 3.47Å; F303-I307 PolarHBondContact O-N 3.19Å |
| 304 | K | 91.2 | Very high | 87.2 | Confident | 56 Ų | 56 | 37.6 Ų | 37.6 | 24% | 0.243 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -40.4 | 178.6 | -71.5 | 172.5 | -177.1 | 167.3 | 0 | 112.7 | L22 T24 L300 E301 F302 K308 | L22-K304 HydrophobicContact CD2-CB 4.46Å; L22-K304 HydrophobicContact CD2-CG 3.91Å; T24-K304 VanDerWaalsContact CG2-CE 3.48Å; L300-K304 HydrophobicContact CG-CD 4.49Å; L300-K304 WeakPolarHBondContact O-CG 3.49Å; L300-K304 PolarHBondContact O-N 3.07Å; L300-K304 VanDerWaalsContact O-N 3.07Å; E301-K304 PolarHBondContact O-N 3.43Å; E301-K304 IonicContact OE1-NZ 3.45Å; E301-K304 PolarHBondContact OE1-NZ 3.31Å; E301-K304 IonicContact OE2-NZ 3.21Å; F302-K304 VanDerWaalsContact C-N 3.34Å; F302-K304 PolarHBondContact O-N 3.35Å; K304-K308 WeakPolarHBondContact O-CD 3.48Å; K304-K308 VanDerWaalsContact O-CG 3.27Å; K304-K308 WeakPolarHBondContact O-CG 3Å |
| 305 | A | 89.4 | Confident | 86.2 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.7 | -44.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E301 F302 K308 A328 | E301-A305 PolarHBondContact O-N 3.07Å; F302-A305 PolarHBondContact O-N 2.8Å; A305-K308 PolarHBondContact O-N 3.27Å; A305-A328 HydrophobicContact CB-CB 3.66Å |
| 306 | Y | 88.8 | Confident | 85.4 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | -178.7 | -64.7 | -36 | 0 | 0 | 0 | 112.4 | M143 T144 M289 F302 K308 I309 Y310 A324 T325 | M143-Y306 HydrophobicContact CB-CD2 4.13Å; M143-Y306 HydrophobicContact CB-CE2 3.78Å; M143-Y306 HydrophobicContact CE-CD1 4.31Å; M143-Y306 HydrophobicContact CE-CD2 4.35Å; M143-Y306 HydrophobicContact CE-CG 4.08Å; M143-Y306 HydrophobicContact SD-CD1 4.08Å; M143-Y306 HydrophobicContact SD-CD2 4.45Å; M143-Y306 HydrophobicContact SD-CE1 4.02Å; M143-Y306 HydrophobicContact SD-CE2 4.4Å; M143-Y306 HydrophobicContact SD-CG 4.31Å; T144-Y306 HydrophobicContact CG2-CD2 3.99Å; T144-Y306 HydrophobicContact CG2-CE2 4.38Å; M289-Y306 HydrophobicContact CE-CE2 3.94Å; M289-Y306 VanDerWaalsContact CE-OH 3.3Å; M289-Y306 WeakPolarHBondContact CE-OH 3.13Å; F302-Y306 HydrophobicContact CB-CD2 4.21Å; F302-Y306 HydrophobicContact CB-CE2 3.92Å; F302-Y306 AromaticContact CD1-CE2 3.91Å; F302-Y306 HydrophobicContact CD1-CE2 3.91Å; F302-Y306 AromaticContact CD1-CZ 3.88Å; F302-Y306 HydrophobicContact CG-CE2 4.33Å; F302-Y306 WeakPolarHBondContact O-CB 3.49Å; F302-Y306 WeakPolarHBondContact O-CD2 3.3Å; F302-Y306 VanDerWaalsContact O-CG 3.25Å; F302-Y306 PolarHBondContact O-N 3.3Å; Y306-K308 PolarHBondContact O-N 3.03Å; Y306-I309 HydrophobicContact CD1-CD1 4.31Å; Y306-I309 WeakPolarHBondContact O-CG1 3.18Å; Y306-I309 PolarHBondContact O-N 2.99Å; Y306-Y310 VanDerWaalsContact O-CD2 3.25Å; Y306-Y310 WeakPolarHBondContact O-CD2 3.45Å; Y306-Y310 PolarHBondContact O-N 2.87Å; Y306-A324 HydrophobicContact CD1-CB 4.42Å; Y306-T325 WeakPolarHBondContact CE1-OG1 3.46Å; Y306-T325 WeakPolarHBondContact OH-CG2 3.33Å; Y306-T325 PolarHBondContact OH-OG1 3.33Å |
| 307 | I | 85.9 | Confident | 84.6 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -37.3 | 179.9 | -157.8 | 69.6 | 0 | 0 | 0 | 112.1 | V11 F20 L22 L140 F303 I309 Y310 Q311 | V11-I307 HydrophobicContact CG1-CD1 3.93Å; V11-I307 HydrophobicContact CG2-CD1 4.34Å; F20-I307 HydrophobicContact CB-CD1 3.74Å; F20-I307 HydrophobicContact CB-CG1 4.35Å; L22-I307 HydrophobicContact CB-CB 4.19Å; L22-I307 HydrophobicContact CB-CG1 4.02Å; L22-I307 HydrophobicContact CB-CG2 3.81Å; L22-I307 HydrophobicContact CD2-CG2 4.06Å; L140-I307 HydrophobicContact CD1-CD1 3.66Å; F303-I307 WeakPolarHBondContact O-CB 3.47Å; F303-I307 PolarHBondContact O-N 3.19Å; I307-I309 VanDerWaalsContact C-N 3.3Å; I307-I309 PolarHBondContact O-N 3.37Å; I307-Y310 PolarHBondContact O-N 3.43Å; I307-Y310 VanDerWaalsContact O-N 3.12Å; I307-Q311 WeakPolarHBondContact O-CG 3.13Å; I307-Q311 PolarHBondContact O-N 2.88Å; I307-Q311 VanDerWaalsContact O-N 3.14Å |
| 308 | K | 86.5 | Confident | 83.8 | Confident | 127 Ų | 127 | 46.3 Ų | 46.3 | 55% | 0.552 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -60.9 | -37 | -179.7 | -73.7 | 172.8 | -176.7 | -179.9 | 0 | 112.6 | K304 A305 Y306 Y310 | K304-K308 WeakPolarHBondContact O-CD 3.48Å; K304-K308 VanDerWaalsContact O-CG 3.27Å; K304-K308 WeakPolarHBondContact O-CG 3Å; A305-K308 PolarHBondContact O-N 3.27Å; Y306-K308 PolarHBondContact O-N 3.03Å; K308-Y310 VanDerWaalsContact C-N 3.33Å |
| 309 | I | 83.8 | Confident | 83.2 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 15% | 0.154 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.2 | -23.3 | 179.2 | 59.9 | 165.2 | 0 | 0 | 0 | 113 | Y306 I307 P316 T320 M321 A324 | Y306-I309 HydrophobicContact CD1-CD1 4.31Å; Y306-I309 WeakPolarHBondContact O-CG1 3.18Å; Y306-I309 PolarHBondContact O-N 2.99Å; I307-I309 VanDerWaalsContact C-N 3.3Å; I307-I309 PolarHBondContact O-N 3.37Å; I309-P316 HydrophobicContact CB-CB 4.29Å; I309-P316 HydrophobicContact CD1-CB 4.41Å; I309-P316 HydrophobicContact CD1-CG 4.24Å; I309-P316 HydrophobicContact CG1-CG 4.46Å; I309-T320 HydrophobicContact CB-CG2 4.4Å; I309-T320 HydrophobicContact CG2-CG2 3.94Å; I309-M321 HydrophobicContact CD1-CB 4.23Å; I309-M321 HydrophobicContact CD1-CG 3.77Å; I309-A324 HydrophobicContact CD1-CB 4.06Å; I309-A324 HydrophobicContact CG2-CB 3.66Å |
| 310 | Y | 79.8 | Confident | 82.6 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -94.1 | -2.1 | 178.2 | -74.3 | -80.3 | 0 | 0 | 0 | 113.7 | T136 A139 L140 M143 Y306 I307 K308 G312 L315 P316 M321 | T136-Y310 HydrophobicContact CG2-CD1 3.7Å; T136-Y310 HydrophobicContact CG2-CG 3.73Å; T136-Y310 WeakPolarHBondContact OG1-CD1 3.47Å; A139-Y310 HydrophobicContact CB-CE1 4.25Å; A139-Y310 WeakPolarHBondContact CB-OH 3.46Å; L140-Y310 HydrophobicContact CD2-CD2 3.77Å; L140-Y310 HydrophobicContact CD2-CE2 4.11Å; L140-Y310 HydrophobicContact CG-CD2 4.14Å; L140-Y310 HydrophobicContact CG-CE2 4.46Å; M143-Y310 HydrophobicContact CE-CD2 4.43Å; M143-Y310 HydrophobicContact CE-CE2 3.39Å; Y306-Y310 VanDerWaalsContact O-CD2 3.25Å; Y306-Y310 WeakPolarHBondContact O-CD2 3.45Å; Y306-Y310 PolarHBondContact O-N 2.87Å; I307-Y310 PolarHBondContact O-N 3.43Å; I307-Y310 VanDerWaalsContact O-N 3.12Å; K308-Y310 VanDerWaalsContact C-N 3.33Å; Y310-G312 VanDerWaalsContact C-N 3.25Å; Y310-G312 PolarHBondContact O-N 2.96Å; Y310-L315 HydrophobicContact CD1-CD2 4.5Å; Y310-L315 HydrophobicContact CE1-CD2 4.3Å; Y310-P316 VanDerWaalsContact CD1-CD 3.43Å; Y310-P316 HydrophobicContact CD1-CG 3.68Å; Y310-P316 HydrophobicContact CD2-CG 4.35Å; Y310-P316 HydrophobicContact CE1-CG 3.37Å; Y310-P316 HydrophobicContact CE2-CG 4.05Å; Y310-P316 HydrophobicContact CG-CG 4.16Å; Y310-M321 PolarHBondContact OH-SD 3.49Å |
| 311 | Q | 79.3 | Confident | 82 | Confident | 100 Ų | 100 | 54.4 Ų | 54.4 | 47% | 0.467 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -76.3 | -9.1 | 173.3 | -80.2 | 173.4 | -16 | 0 | 0 | 113.7 | F20 I307 | F20-Q311 VanDerWaalsContact O-CG 3.32Å; F20-Q311 WeakPolarHBondContact O-CG 3.49Å; F20-Q311 PolarHBondContact O-NE2 2.55Å; I307-Q311 WeakPolarHBondContact O-CG 3.13Å; I307-Q311 PolarHBondContact O-N 2.88Å; I307-Q311 VanDerWaalsContact O-N 3.14Å |
| 312 | G | 72.3 | Confident | 81.4 | Confident | 37 Ų | 37 | 53.5 Ų | 53.5 | 38% | 0.381 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -72.5 | 167.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K132 Y310 D314 | K132-G312 PolarHBondContact NZ-O 3.44Å; Y310-G312 VanDerWaalsContact C-N 3.25Å; Y310-G312 PolarHBondContact O-N 2.96Å; G312-D314 VanDerWaalsContact C-N 3.33Å; G312-D314 PolarHBondContact O-N 3.07Å |
| 313 | E | 65.2 | Low | 81 | Confident | 181 Ų | 181 | 58.5 Ų | 58.5 | 85% | 0.846 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -66.9 | -32.1 | 178.4 | -68.8 | -169.4 | 166.5 | 0 | 0 | 112.9 | K132 | K132-E313 WeakPolarHBondContact CE-O 3.37Å; K132-E313 PolarHBondContact NZ-O 2.76Å |
| 314 | D | 70.5 | Confident | 80.6 | Confident | 132 Ų | 132 | 58.5 Ų | 58.5 | 71% | 0.706 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -106.3 | 160.2 | 179.4 | -66.9 | -44.6 | 0 | 0 | 0 | 112.7 | G312 | G312-D314 VanDerWaalsContact C-N 3.33Å; G312-D314 PolarHBondContact O-N 3.07Å |
| 315 | L | 72.6 | Confident | 80.3 | Confident | 69 Ų | 69 | 56 Ų | 56 | 36% | 0.361 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -60 | 132 | 165.9 | -75.7 | 171.9 | 0 | 0 | 0 | 109.1 | K132 A135 L166 Y310 Q317 | K132-L315 HydrophobicContact CG-CD2 4.07Å; K132-L315 HydrophobicContact CG-CG 4.21Å; A135-L315 HydrophobicContact CB-CD1 4.43Å; A135-L315 HydrophobicContact CB-CD2 4.28Å; L166-L315 HydrophobicContact CD1-CD1 4.44Å; L166-L315 HydrophobicContact CD2-CD2 4.43Å; Y310-L315 HydrophobicContact CD1-CD2 4.5Å; Y310-L315 HydrophobicContact CE1-CD2 4.3Å; L315-Q317 PolarHBondContact O-N 2.87Å |
| 316 | P | 78 | Confident | 80.2 | Confident | 13 Ų | 13 | 56 Ų | 56 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 141 | -175.8 | 25.1 | -33.3 | 0 | 0 | 0 | 110.4 | I309 Y310 M321 | I309-P316 HydrophobicContact CB-CB 4.29Å; I309-P316 HydrophobicContact CD1-CB 4.41Å; I309-P316 HydrophobicContact CD1-CG 4.24Å; I309-P316 HydrophobicContact CG1-CG 4.46Å; Y310-P316 VanDerWaalsContact CD1-CD 3.43Å; Y310-P316 HydrophobicContact CD1-CG 3.68Å; Y310-P316 HydrophobicContact CD2-CG 4.35Å; Y310-P316 HydrophobicContact CE1-CG 3.37Å; Y310-P316 HydrophobicContact CE2-CG 4.05Å; Y310-P316 HydrophobicContact CG-CG 4.16Å; P316-M321 HydrophobicContact CB-CG 4.22Å; P316-M321 HydrophobicContact CG-CG 4Å; P316-M321 HydrophobicContact CG-SD 4.41Å; P316-M321 VanDerWaalsContact O-CE 3.31Å; P316-M321 WeakPolarHBondContact O-CE 3.42Å |
| 317 | Q | 79.8 | Confident | 80.2 | Confident | 140 Ų | 140 | 59.1 Ų | 59.1 | 65% | 0.654 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 144.2 | 172.8 | -66.7 | -176.2 | -1.1 | 0 | 0 | 110 | L315 K319 T320 M321 | L315-Q317 PolarHBondContact O-N 2.87Å; Q317-K319 PolarHBondContact O-N 2.94Å; Q317-K319 VanDerWaalsContact O-N 3.08Å; Q317-T320 WeakPolarHBondContact O-CA 3.43Å; Q317-T320 VanDerWaalsContact O-CB 3.32Å; Q317-T320 WeakPolarHBondContact O-CB 3.41Å; Q317-T320 PolarHBondContact O-N 3.3Å; Q317-M321 PolarHBondContact O-N 2.91Å |
| 318 | P | 77.8 | Confident | 80.2 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 21% | 0.208 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -49 | -36.8 | 177.3 | -33.7 | 39.1 | 0 | 0 | 0 | 115 | E169 L173 T320 M321 L322 | E169-P318 HydrophobicContact CB-CG 3.85Å; L173-P318 HydrophobicContact CD1-CB 3.39Å; L173-P318 HydrophobicContact CG-CB 4.22Å; P318-T320 PolarHBondContact O-N 2.88Å; P318-M321 HydrophobicContact CB-CE 4.21Å; P318-M321 HydrophobicContact CG-CE 4.01Å; P318-M321 WeakPolarHBondContact O-CB 3.45Å; P318-M321 PolarHBondContact O-N 3.42Å; P318-L322 PolarHBondContact O-N 2.97Å; P318-L322 VanDerWaalsContact O-N 3.1Å |
| 319 | K | 79.7 | Confident | 80.3 | Confident | 114 Ų | 114 | 53.3 Ų | 53.3 | 50% | 0.496 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.7 | -168.8 | 176.4 | -173.6 | 175.5 | 0 | 112.8 | L173 Q317 M321 L322 M323 | L173-K319 HydrophobicContact CD1-CB 4.29Å; Q317-K319 PolarHBondContact O-N 2.94Å; Q317-K319 VanDerWaalsContact O-N 3.08Å; K319-M321 VanDerWaalsContact C-N 3.33Å; K319-L322 PolarHBondContact O-N 2.96Å; K319-M323 HydrophobicContact CD-CE 4.5Å; K319-M323 HydrophobicContact CG-CE 4.3Å; K319-M323 WeakPolarHBondContact O-CG 3.23Å; K319-M323 PolarHBondContact O-N 3.2Å |
| 320 | T | 84.1 | Confident | 80.6 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 176.5 | -50.9 | 0 | 0 | 0 | 0 | 111 | I309 Q317 P318 L322 M323 A324 | I309-T320 HydrophobicContact CB-CG2 4.4Å; I309-T320 HydrophobicContact CG2-CG2 3.94Å; Q317-T320 WeakPolarHBondContact O-CA 3.43Å; Q317-T320 VanDerWaalsContact O-CB 3.32Å; Q317-T320 WeakPolarHBondContact O-CB 3.41Å; Q317-T320 PolarHBondContact O-N 3.3Å; P318-T320 PolarHBondContact O-N 2.88Å; T320-L322 VanDerWaalsContact C-N 3.32Å; T320-L322 PolarHBondContact O-N 2.94Å; T320-M323 PolarHBondContact O-N 3.17Å; T320-A324 WeakPolarHBondContact O-CB 3.45Å; T320-A324 PolarHBondContact O-N 2.56Å |
| 321 | M | 80.6 | Confident | 81.2 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 174.2 | -66.8 | -174.4 | -100.5 | 0 | 0 | 112.1 | L166 Y170 I309 Y310 P316 Q317 P318 K319 A324 T325 | L166-M321 HydrophobicContact CD1-CE 4.39Å; Y170-M321 HydrophobicContact CD2-CB 3.51Å; Y170-M321 HydrophobicContact CD2-CG 4.44Å; Y170-M321 HydrophobicContact CD2-SD 4.2Å; Y170-M321 HydrophobicContact CE2-CB 3.46Å; Y170-M321 VanDerWaalsContact CE2-CB 3.46Å; Y170-M321 HydrophobicContact CG-SD 4.43Å; I309-M321 HydrophobicContact CD1-CB 4.23Å; I309-M321 HydrophobicContact CD1-CG 3.77Å; Y310-M321 PolarHBondContact OH-SD 3.49Å; P316-M321 HydrophobicContact CB-CG 4.22Å; P316-M321 HydrophobicContact CG-CG 4Å; P316-M321 HydrophobicContact CG-SD 4.41Å; P316-M321 VanDerWaalsContact O-CE 3.31Å; P316-M321 WeakPolarHBondContact O-CE 3.42Å; Q317-M321 PolarHBondContact O-N 2.91Å; P318-M321 HydrophobicContact CB-CE 4.21Å; P318-M321 HydrophobicContact CG-CE 4.01Å; P318-M321 WeakPolarHBondContact O-CB 3.45Å; P318-M321 PolarHBondContact O-N 3.42Å; K319-M321 VanDerWaalsContact C-N 3.33Å; M321-A324 PolarHBondContact O-N 2.61Å; M321-T325 PolarHBondContact O-N 3.19Å; M321-T325 PolarHBondContact O-OG1 3.31Å |
| 322 | L | 80.3 | Confident | 81.7 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.4 | -44.8 | 179 | -166.5 | 155.6 | 0 | 0 | 0 | 110.8 | Y170 L173 E177 I178 P318 K319 T320 A324 T325 A326 | Y170-L322 HydrophobicContact CE2-CB 4.2Å; L173-L322 HydrophobicContact CB-CD1 4.29Å; E177-L322 HydrophobicContact CB-CD1 4.1Å; E177-L322 HydrophobicContact CG-CD1 4.27Å; E177-L322 WeakPolarHBondContact OE2-CD1 3.23Å; E177-L322 WeakPolarHBondContact OE2-CD2 3.48Å; I178-L322 HydrophobicContact CD1-CD1 4.2Å; I178-L322 HydrophobicContact CD1-CD2 4.3Å; I178-L322 HydrophobicContact CD1-CG 4.21Å; P318-L322 PolarHBondContact O-N 2.97Å; P318-L322 VanDerWaalsContact O-N 3.1Å; K319-L322 PolarHBondContact O-N 2.96Å; T320-L322 VanDerWaalsContact C-N 3.32Å; T320-L322 PolarHBondContact O-N 2.94Å; L322-A324 PolarHBondContact O-N 3.17Å; L322-T325 WeakPolarHBondContact O-CB 3.33Å; L322-T325 PolarHBondContact O-N 3.46Å; L322-T325 VanDerWaalsContact O-N 3.14Å; L322-A326 PolarHBondContact O-N 3.35Å |
| 323 | M | 83.8 | Confident | 82.5 | Confident | 109 Ų | 109 | 48.2 Ų | 48.2 | 54% | 0.537 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.9 | -43.7 | 174.1 | -72.2 | -176.9 | 173.5 | 0 | 0 | 112.5 | K319 T320 T325 A326 E327 | K319-M323 HydrophobicContact CD-CE 4.5Å; K319-M323 HydrophobicContact CG-CE 4.3Å; K319-M323 WeakPolarHBondContact O-CG 3.23Å; K319-M323 PolarHBondContact O-N 3.2Å; T320-M323 PolarHBondContact O-N 3.17Å; M323-T325 VanDerWaalsContact C-N 3.29Å; M323-T325 PolarHBondContact O-N 3.37Å; M323-A326 WeakPolarHBondContact O-CB 3.23Å; M323-A326 PolarHBondContact O-N 2.61Å; M323-A326 VanDerWaalsContact O-N 3.15Å; M323-E327 PolarHBondContact O-N 3.38Å |
| 324 | A | 84.5 | Confident | 83.9 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -34.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y306 I309 T320 M321 L322 A326 E327 A328 | Y306-A324 HydrophobicContact CD1-CB 4.42Å; I309-A324 HydrophobicContact CD1-CB 4.06Å; I309-A324 HydrophobicContact CG2-CB 3.66Å; T320-A324 WeakPolarHBondContact O-CB 3.45Å; T320-A324 PolarHBondContact O-N 2.56Å; M321-A324 PolarHBondContact O-N 2.61Å; L322-A324 PolarHBondContact O-N 3.17Å; A324-A326 VanDerWaalsContact C-N 3.34Å; A324-E327 WeakPolarHBondContact O-CB 3.48Å; A324-E327 PolarHBondContact O-N 3.34Å; A324-A328 WeakPolarHBondContact O-CB 3.4Å; A324-A328 PolarHBondContact O-N 2.93Å |
| 325 | T | 84.8 | Confident | 84.9 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 173.2 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | Y170 F302 Y306 M321 L322 M323 N329 M382 | Y170-T325 PolarHBondContact OH-OG1 3.07Å; F302-T325 HydrophobicContact CE1-CG2 4.28Å; Y306-T325 WeakPolarHBondContact CE1-OG1 3.46Å; Y306-T325 WeakPolarHBondContact OH-CG2 3.33Å; Y306-T325 PolarHBondContact OH-OG1 3.33Å; M321-T325 PolarHBondContact O-N 3.19Å; M321-T325 PolarHBondContact O-OG1 3.31Å; L322-T325 WeakPolarHBondContact O-CB 3.33Å; L322-T325 PolarHBondContact O-N 3.46Å; L322-T325 VanDerWaalsContact O-N 3.14Å; M323-T325 VanDerWaalsContact C-N 3.29Å; M323-T325 PolarHBondContact O-N 3.37Å; T325-N329 VanDerWaalsContact O-CB 3.25Å; T325-N329 WeakPolarHBondContact O-CB 3.43Å; T325-N329 PolarHBondContact O-N 3.1Å; T325-M382 HydrophobicContact CG2-CE 3.91Å; T325-M382 HydrophobicContact CG2-SD 3.81Å |
| 326 | A | 85.9 | Confident | 85.7 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L322 M323 A324 N329 N330 M382 F387 | L322-A326 PolarHBondContact O-N 3.35Å; M323-A326 WeakPolarHBondContact O-CB 3.23Å; M323-A326 PolarHBondContact O-N 2.61Å; M323-A326 VanDerWaalsContact O-N 3.15Å; A324-A326 VanDerWaalsContact C-N 3.34Å; A326-N329 PolarHBondContact O-N 3.12Å; A326-N330 PolarHBondContact O-N 3.35Å; A326-N330 VanDerWaalsContact O-N 3.08Å; A326-N330 PolarHBondContact O-ND2 3.08Å; A326-M382 HydrophobicContact CB-CB 3.51Å; A326-M382 HydrophobicContact CB-SD 4.41Å; A326-F387 HydrophobicContact CB-CE1 4.24Å |
| 327 | E | 88.8 | Confident | 86.5 | Confident | 66 Ų | 66 | 32.1 Ų | 32.1 | 31% | 0.308 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -56.7 | -54.6 | 174.4 | -155.9 | -168.5 | 147.8 | 0 | 0 | 111.2 | M323 A324 N329 N330 L331 F387 Y391 | M323-E327 PolarHBondContact O-N 3.38Å; A324-E327 WeakPolarHBondContact O-CB 3.48Å; A324-E327 PolarHBondContact O-N 3.34Å; E327-N329 VanDerWaalsContact C-N 3.32Å; E327-N329 PolarHBondContact O-N 3.22Å; E327-N330 PolarHBondContact O-N 3.31Å; E327-L331 HydrophobicContact CG-CD1 4.31Å; E327-L331 WeakPolarHBondContact O-CG 3.43Å; E327-L331 PolarHBondContact O-N 3.37Å; E327-F387 HydrophobicContact CB-CZ 4.39Å; E327-Y391 WeakPolarHBondContact CG-OH 3.42Å |
| 328 | A | 86.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60 | -40.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F302 A305 A324 L331 A332 | F302-A328 HydrophobicContact CB-CB 4.45Å; F302-A328 HydrophobicContact CD1-CB 3.31Å; F302-A328 HydrophobicContact CE1-CB 3.58Å; F302-A328 HydrophobicContact CG-CB 3.95Å; F302-A328 HydrophobicContact CZ-CB 4.4Å; A305-A328 HydrophobicContact CB-CB 3.66Å; A324-A328 WeakPolarHBondContact O-CB 3.4Å; A324-A328 PolarHBondContact O-N 2.93Å; A328-L331 PolarHBondContact O-N 3.49Å; A328-A332 VanDerWaalsContact O-CB 3.27Å; A328-A332 WeakPolarHBondContact O-CB 3.5Å; A328-A332 PolarHBondContact O-N 2.96Å |
| 329 | N | 88.2 | Confident | 87.8 | Confident | 12 Ų | 12 | 27.3 Ų | 27.3 | 6% | 0.064 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.8 | -40.4 | 178.9 | 179.2 | -106.4 | 0 | 0 | 0 | 111.9 | F302 T325 A326 E327 A333 K380 K381 | F302-N329 HydrophobicContact CE1-CB 4.41Å; F302-N329 HydrophobicContact CZ-CB 4.15Å; T325-N329 VanDerWaalsContact O-CB 3.25Å; T325-N329 WeakPolarHBondContact O-CB 3.43Å; T325-N329 PolarHBondContact O-N 3.1Å; A326-N329 PolarHBondContact O-N 3.12Å; E327-N329 VanDerWaalsContact C-N 3.32Å; E327-N329 PolarHBondContact O-N 3.22Å; N329-A333 PolarHBondContact O-N 3.33Å; N329-A333 VanDerWaalsContact O-N 3.15Å; N329-K380 PolarHBondContact OD1-O 2.86Å; N329-K381 VanDerWaalsContact OD1-CA 3.26Å; N329-K381 WeakPolarHBondContact OD1-CA 3.08Å |
| 330 | N | 90.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.8 | -44.8 | 174.1 | -79 | -88.4 | 0 | 0 | 0 | 111.5 | A326 E327 A332 A333 V334 K381 M382 Y391 | A326-N330 PolarHBondContact O-N 3.35Å; A326-N330 VanDerWaalsContact O-N 3.08Å; A326-N330 PolarHBondContact O-ND2 3.08Å; E327-N330 PolarHBondContact O-N 3.31Å; N330-A332 VanDerWaalsContact C-N 3.34Å; N330-A332 PolarHBondContact O-N 2.84Å; N330-A333 WeakPolarHBondContact O-CB 3.4Å; N330-A333 PolarHBondContact O-N 3.2Å; N330-A333 VanDerWaalsContact O-N 3.12Å; N330-V334 WeakPolarHBondContact O-CG2 3.43Å; N330-V334 PolarHBondContact O-N 2.78Å; N330-K381 WeakPolarHBondContact OD1-CD 3.39Å; N330-M382 PolarHBondContact ND2-O 3.14Å; N330-M382 VanDerWaalsContact ND2-O 3.11Å; N330-Y391 HydrophobicContact CB-CD1 4.01Å; N330-Y391 HydrophobicContact CB-CD2 3.51Å; N330-Y391 HydrophobicContact CB-CE1 4.35Å; N330-Y391 HydrophobicContact CB-CE2 3.92Å; N330-Y391 HydrophobicContact CB-CG 3.59Å |
| 331 | L | 91.4 | Very high | 89.1 | Confident | 36 Ų | 36 | 21.9 Ų | 21.9 | 19% | 0.188 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 176.5 | -74 | 172 | 0 | 0 | 0 | 112.5 | E301 E327 A328 A333 V334 A335 Y391 | E301-L331 HydrophobicContact CB-CB 4.36Å; E301-L331 HydrophobicContact CG-CB 4.48Å; E327-L331 HydrophobicContact CG-CD1 4.31Å; E327-L331 WeakPolarHBondContact O-CG 3.43Å; E327-L331 PolarHBondContact O-N 3.37Å; A328-L331 PolarHBondContact O-N 3.49Å; L331-A333 VanDerWaalsContact C-N 3.31Å; L331-A333 PolarHBondContact O-N 3.14Å; L331-V334 PolarHBondContact O-N 2.69Å; L331-A335 WeakPolarHBondContact O-CB 3.4Å; L331-A335 PolarHBondContact O-N 2.99Å; L331-Y391 HydrophobicContact CD2-CD1 4.1Å; L331-Y391 HydrophobicContact CD2-CE1 3.74Å; L331-Y391 HydrophobicContact CG-CD1 4.43Å; L331-Y391 HydrophobicContact CG-CE1 3.87Å |
| 332 | A | 88.9 | Confident | 89.7 | Confident | 16 Ų | 16 | 25.3 Ų | 25.3 | 13% | 0.132 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.5 | -39.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A328 N330 A335 A336 | A328-A332 VanDerWaalsContact O-CB 3.27Å; A328-A332 WeakPolarHBondContact O-CB 3.5Å; A328-A332 PolarHBondContact O-N 2.96Å; N330-A332 VanDerWaalsContact C-N 3.34Å; N330-A332 PolarHBondContact O-N 2.84Å; A332-A335 PolarHBondContact O-N 2.78Å; A332-A336 WeakPolarHBondContact O-CB 3.39Å; A332-A336 PolarHBondContact O-N 2.85Å |
| 333 | A | 91 | Very high | 90.2 | Very high | 9 Ų | 9 | 27.4 Ų | 27.4 | 7% | 0.074 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.1 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N329 N330 L331 A336 A337 F376 T379 K381 | N329-A333 PolarHBondContact O-N 3.33Å; N329-A333 VanDerWaalsContact O-N 3.15Å; N330-A333 WeakPolarHBondContact O-CB 3.4Å; N330-A333 PolarHBondContact O-N 3.2Å; N330-A333 VanDerWaalsContact O-N 3.12Å; L331-A333 VanDerWaalsContact C-N 3.31Å; L331-A333 PolarHBondContact O-N 3.14Å; A333-A336 PolarHBondContact O-N 2.74Å; A333-A337 WeakPolarHBondContact O-CB 3.27Å; A333-A337 PolarHBondContact O-N 3.39Å; A333-F376 HydrophobicContact CB-CD2 3.78Å; A333-F376 HydrophobicContact CB-CE2 3.78Å; A333-T379 HydrophobicContact CB-CG2 4.13Å; A333-K381 HydrophobicContact CB-CD 4.16Å |
| 334 | V | 93.8 | Very high | 90.7 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 3% | 0.03 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.3 | -49.8 | 172.9 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | N330 L331 A336 A337 K338 F376 Y391 L395 | N330-V334 WeakPolarHBondContact O-CG2 3.43Å; N330-V334 PolarHBondContact O-N 2.78Å; L331-V334 PolarHBondContact O-N 2.69Å; V334-A336 VanDerWaalsContact C-N 3.29Å; V334-A336 PolarHBondContact O-N 2.76Å; V334-A337 PolarHBondContact O-N 2.9Å; V334-K338 VanDerWaalsContact O-CB 3.25Å; V334-K338 WeakPolarHBondContact O-CB 3.19Å; V334-K338 PolarHBondContact O-N 3.31Å; V334-F376 HydrophobicContact CG2-CD2 4.13Å; V334-F376 HydrophobicContact CG2-CE2 3.59Å; V334-F376 HydrophobicContact CG2-CZ 4.37Å; V334-Y391 HydrophobicContact CG2-CD1 4.41Å; V334-L395 HydrophobicContact CG1-CB 4.2Å; V334-L395 HydrophobicContact CG1-CD1 4.09Å; V334-L395 HydrophobicContact CG2-CB 4.29Å |
| 335 | A | 90.7 | Very high | 91.1 | Very high | 23 Ų | 23 | 23.3 Ų | 23.3 | 19% | 0.19 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.7 | -34.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R297 L331 A332 D339 | R297-A335 HydrophobicContact CG-CB 4.4Å; L331-A335 WeakPolarHBondContact O-CB 3.4Å; L331-A335 PolarHBondContact O-N 2.99Å; A332-A335 PolarHBondContact O-N 2.78Å; A335-D339 WeakPolarHBondContact O-CB 3.33Å; A335-D339 PolarHBondContact O-N 3.24Å |
| 336 | A | 90.2 | Very high | 91.3 | Very high | 30 Ų | 30 | 27.4 Ų | 27.4 | 25% | 0.248 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.8 | -48.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A332 A333 V334 K338 D339 Q340 M375 | A332-A336 WeakPolarHBondContact O-CB 3.39Å; A332-A336 PolarHBondContact O-N 2.85Å; A333-A336 PolarHBondContact O-N 2.74Å; V334-A336 VanDerWaalsContact C-N 3.29Å; V334-A336 PolarHBondContact O-N 2.76Å; A336-K338 PolarHBondContact O-N 3.17Å; A336-D339 PolarHBondContact O-N 3.35Å; A336-Q340 PolarHBondContact O-N 2.98Å; A336-Q340 VanDerWaalsContact O-N 3.08Å; A336-M375 HydrophobicContact CB-CE 4.17Å |
| 337 | A | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A333 V334 D339 Q340 Y341 A372 M375 F376 L395 | A333-A337 WeakPolarHBondContact O-CB 3.27Å; A333-A337 PolarHBondContact O-N 3.39Å; V334-A337 PolarHBondContact O-N 2.9Å; A337-D339 VanDerWaalsContact C-N 3.31Å; A337-D339 PolarHBondContact O-N 3.3Å; A337-Q340 PolarHBondContact O-N 3.22Å; A337-Y341 PolarHBondContact O-N 3.05Å; A337-Y341 VanDerWaalsContact O-N 3.09Å; A337-A372 HydrophobicContact CB-CB 4.39Å; A337-M375 HydrophobicContact CB-SD 4.43Å; A337-F376 HydrophobicContact CB-CB 4.25Å; A337-L395 HydrophobicContact CB-CD1 4.11Å; A337-L395 HydrophobicContact CB-CD2 3.74Å |
| 338 | K | 94.6 | Very high | 91.3 | Very high | 63 Ų | 63 | 35.3 Ų | 35.3 | 27% | 0.274 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -57.4 | -44.1 | 176.2 | -171.4 | -175.5 | -174.2 | 163.5 | 0 | 112.3 | V334 A336 Y341 Q342 L395 E398 M402 | V334-K338 VanDerWaalsContact O-CB 3.25Å; V334-K338 WeakPolarHBondContact O-CB 3.19Å; V334-K338 PolarHBondContact O-N 3.31Å; A336-K338 PolarHBondContact O-N 3.17Å; K338-Y341 PolarHBondContact O-N 3.03Å; K338-Q342 WeakPolarHBondContact O-CB 3.42Å; K338-Q342 PolarHBondContact O-N 2.88Å; K338-L395 HydrophobicContact CB-CD1 4.26Å; K338-E398 WeakPolarHBondContact CD-OE2 2.97Å; K338-E398 WeakPolarHBondContact CE-OE2 3.22Å; K338-E398 IonicContact NZ-OE2 3.19Å; K338-E398 PolarHBondContact NZ-OE2 3.48Å; K338-M402 HydrophobicContact CB-CE 4.49Å; K338-M402 HydrophobicContact CD-CE 4.23Å; K338-M402 HydrophobicContact CD-SD 4.37Å; K338-M402 VanDerWaalsContact CE-SD 3.56Å; K338-M402 HydrophobicContact CG-CE 3.35Å; K338-M402 HydrophobicContact CG-SD 3.89Å |
| 339 | D | 91.3 | Very high | 91.1 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 4% | 0.043 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.8 | -37.3 | -178.9 | -176.8 | 92.5 | 0 | 0 | 0 | 113.3 | R37 R297 A335 A336 A337 Y341 Q342 K343 | R37-D339 IonicContact CZ-OD1 2.95Å; R37-D339 IonicContact NH1-OD1 3.42Å; R37-D339 IonicContact NH2-OD1 2.76Å; R297-D339 IonicContact CZ-OD1 3.16Å; R297-D339 IonicContact CZ-OD2 2.62Å; R297-D339 IonicContact NH1-OD1 3.68Å; R297-D339 PolarHBondContact NH1-OD1 3.39Å; R297-D339 IonicContact NH1-OD2 2.97Å; R297-D339 IonicContact NH2-OD1 3.06Å; R297-D339 PolarHBondContact NH2-OD1 3.31Å; R297-D339 IonicContact NH2-OD2 3.25Å; R297-D339 PolarHBondContact NH2-OD2 3.43Å; A335-D339 WeakPolarHBondContact O-CB 3.33Å; A335-D339 PolarHBondContact O-N 3.24Å; A336-D339 PolarHBondContact O-N 3.35Å; A337-D339 VanDerWaalsContact C-N 3.31Å; A337-D339 PolarHBondContact O-N 3.3Å; D339-Y341 VanDerWaalsContact C-N 3.31Å; D339-Y341 PolarHBondContact O-N 3.03Å; D339-Q342 PolarHBondContact O-N 3.32Å; D339-K343 WeakPolarHBondContact O-CB 3.16Å; D339-K343 WeakPolarHBondContact O-CG 3.38Å; D339-K343 PolarHBondContact O-N 2.94Å; D339-K343 WeakPolarHBondContact OD2-CD 3.35Å; D339-K343 WeakPolarHBondContact OD2-CE 3.31Å; D339-K343 IonicContact OD2-NZ 3.84Å; D339-K343 PolarHBondContact OD2-NZ 2.79Å |
| 340 | Q | 93.8 | Very high | 90.8 | Very high | 60 Ų | 60 | 35.4 Ų | 35.4 | 28% | 0.28 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.5 | -48.9 | 171.8 | -176.2 | -171.1 | 5.9 | 0 | 0 | 110.2 | A336 A337 Q342 K343 N344 M375 | A336-Q340 PolarHBondContact O-N 2.98Å; A336-Q340 VanDerWaalsContact O-N 3.08Å; A337-Q340 PolarHBondContact O-N 3.22Å; Q340-Q342 PolarHBondContact O-N 3.4Å; Q340-K343 PolarHBondContact O-N 3.25Å; Q340-N344 WeakPolarHBondContact O-CB 3.37Å; Q340-N344 PolarHBondContact O-N 3.49Å; Q340-M375 HydrophobicContact CB-SD 4.42Å; Q340-M375 PolarHBondContact OE1-SD 3.12Å |
| 341 | Y | 95.8 | Very high | 90 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.1 | -49.1 | 175.9 | 172.9 | -93.5 | 0 | 0 | 0 | 111.5 | A337 K338 D339 K343 N344 M345 H365 F368 H369 L399 M402 L406 | A337-Y341 PolarHBondContact O-N 3.05Å; A337-Y341 VanDerWaalsContact O-N 3.09Å; K338-Y341 PolarHBondContact O-N 3.03Å; D339-Y341 VanDerWaalsContact C-N 3.31Å; D339-Y341 PolarHBondContact O-N 3.03Å; Y341-K343 PolarHBondContact O-N 2.95Å; Y341-N344 PolarHBondContact O-N 2.81Å; Y341-M345 HydrophobicContact CD1-CG 4.24Å; Y341-M345 HydrophobicContact CD2-CG 4.18Å; Y341-M345 HydrophobicContact CE1-CG 3.81Å; Y341-M345 HydrophobicContact CE2-CG 3.71Å; Y341-M345 HydrophobicContact CE2-SD 4.24Å; Y341-M345 HydrophobicContact CG-CG 4.42Å; Y341-M345 WeakPolarHBondContact O-CB 3.31Å; Y341-M345 WeakPolarHBondContact O-CG 3.34Å; Y341-M345 PolarHBondContact O-N 3.19Å; Y341-H365 AromaticContact CE2-ND1 3.7Å; Y341-H365 AromaticContact CZ-ND1 3.62Å; Y341-H365 PolarHBondContact OH-ND1 3.21Å; Y341-F368 HydrophobicContact CD2-CB 3.85Å; Y341-F368 HydrophobicContact CE2-CB 4.19Å; Y341-H369 HydrophobicContact CE2-CB 4.37Å; Y341-L399 HydrophobicContact CD1-CD2 3.67Å; Y341-L399 HydrophobicContact CD2-CD2 4.31Å; Y341-L399 HydrophobicContact CE1-CD2 4.37Å; Y341-L399 HydrophobicContact CG-CD2 3.62Å; Y341-M402 HydrophobicContact CD1-CE 3.51Å; Y341-M402 HydrophobicContact CE1-CB 4.1Å; Y341-M402 HydrophobicContact CE1-CE 3.95Å; Y341-L406 HydrophobicContact CE1-CD1 4.27Å |
| 342 | Q | 93.1 | Very high | 89 | Confident | 74 Ų | 74 | 45.1 Ų | 45.1 | 35% | 0.346 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.6 | -49.8 | 179.7 | -178.5 | 178.2 | -6.3 | 0 | 0 | 111.8 | K338 D339 Q340 N344 M345 E346 M402 | K338-Q342 WeakPolarHBondContact O-CB 3.42Å; K338-Q342 PolarHBondContact O-N 2.88Å; D339-Q342 PolarHBondContact O-N 3.32Å; Q340-Q342 PolarHBondContact O-N 3.4Å; Q342-N344 VanDerWaalsContact C-N 3.33Å; Q342-N344 PolarHBondContact O-N 3.29Å; Q342-M345 PolarHBondContact O-N 3.43Å; Q342-E346 HydrophobicContact CG-CG 4.3Å; Q342-E346 WeakPolarHBondContact CG-OE1 3.05Å; Q342-E346 PolarHBondContact NE2-OE1 2.88Å; Q342-E346 WeakPolarHBondContact O-CB 2.95Å; Q342-E346 WeakPolarHBondContact O-CG 3.25Å; Q342-E346 PolarHBondContact O-N 3.41Å; Q342-M402 HydrophobicContact CB-SD 4.47Å |
| 343 | K | 91.4 | Very high | 88.3 | Confident | 56 Ų | 56 | 47.4 Ų | 47.4 | 24% | 0.243 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.4 | -42 | 178.4 | -76.3 | 170.4 | 173.2 | 156.9 | 0 | 112.5 | D38 D339 Q340 Y341 R347 | D38-K343 VanDerWaalsContact CG-NZ 3.28Å; D38-K343 IonicContact OD1-NZ 3.27Å; D38-K343 PolarHBondContact OD1-NZ 3.12Å; D38-K343 IonicContact OD2-NZ 2.94Å; D38-K343 PolarHBondContact OD2-NZ 2.91Å; D339-K343 WeakPolarHBondContact O-CB 3.16Å; D339-K343 WeakPolarHBondContact O-CG 3.38Å; D339-K343 PolarHBondContact O-N 2.94Å; D339-K343 WeakPolarHBondContact OD2-CD 3.35Å; D339-K343 WeakPolarHBondContact OD2-CE 3.31Å; D339-K343 IonicContact OD2-NZ 3.84Å; D339-K343 PolarHBondContact OD2-NZ 2.79Å; Q340-K343 PolarHBondContact O-N 3.25Å; Y341-K343 PolarHBondContact O-N 2.95Å; K343-R347 VanDerWaalsContact O-CG 3.31Å; K343-R347 WeakPolarHBondContact O-CG 3.4Å; K343-R347 PolarHBondContact O-N 2.67Å |
| 344 | N | 93.6 | Very high | 87.5 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 13% | 0.134 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 179.9 | -77.9 | -11.9 | 0 | 0 | 0 | 111.2 | Q340 Y341 Q342 R347 F368 | Q340-N344 WeakPolarHBondContact O-CB 3.37Å; Q340-N344 PolarHBondContact O-N 3.49Å; Y341-N344 PolarHBondContact O-N 2.81Å; Q342-N344 VanDerWaalsContact C-N 3.33Å; Q342-N344 PolarHBondContact O-N 3.29Å; N344-R347 PolarHBondContact O-N 2.93Å; N344-F368 HydrophobicContact CB-CB 4.39Å; N344-F368 HydrophobicContact CB-CD1 3.66Å; N344-F368 HydrophobicContact CB-CD2 3.82Å; N344-F368 HydrophobicContact CB-CE1 3.77Å; N344-F368 HydrophobicContact CB-CE2 3.9Å; N344-F368 HydrophobicContact CB-CG 3.7Å; N344-F368 HydrophobicContact CB-CZ 3.89Å; N344-F368 WeakPolarHBondContact ND2-CD1 3.08Å |
| 345 | M | 92.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.3 | -42.5 | 175.4 | -73.5 | -60.4 | -66.6 | 0 | 0 | 112.8 | Y341 Q342 R347 I348 C349 L361 H365 F368 W403 L406 | Y341-M345 HydrophobicContact CD1-CG 4.24Å; Y341-M345 HydrophobicContact CD2-CG 4.18Å; Y341-M345 HydrophobicContact CE1-CG 3.81Å; Y341-M345 HydrophobicContact CE2-CG 3.71Å; Y341-M345 HydrophobicContact CE2-SD 4.24Å; Y341-M345 HydrophobicContact CG-CG 4.42Å; Y341-M345 WeakPolarHBondContact O-CB 3.31Å; Y341-M345 WeakPolarHBondContact O-CG 3.34Å; Y341-M345 PolarHBondContact O-N 3.19Å; Q342-M345 PolarHBondContact O-N 3.43Å; M345-R347 PolarHBondContact O-N 3.27Å; M345-I348 WeakPolarHBondContact O-CA 3.37Å; M345-I348 PolarHBondContact O-N 3.49Å; M345-C349 PolarHBondContact O-N 3.12Å; M345-C349 PolarHBondContact O-SG 2.72Å; M345-L361 HydrophobicContact CE-CD1 4.01Å; M345-H365 HydrophobicContact CE-CB 4.41Å; M345-H365 HydrophobicContact SD-CB 4.46Å; M345-F368 HydrophobicContact CG-CD2 4.35Å; M345-F368 HydrophobicContact SD-CD2 3.77Å; M345-F368 HydrophobicContact SD-CE2 4.47Å; M345-W403 HydrophobicContact CE-CE3 3.85Å; M345-W403 HydrophobicContact CE-CZ3 3.68Å; M345-L406 HydrophobicContact CB-CD1 3.62Å; M345-L406 HydrophobicContact CE-CD1 4.16Å; M345-L406 HydrophobicContact CG-CD1 3.98Å |
| 346 | E | 88.8 | Confident | 86.3 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 41% | 0.411 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.1 | -32.5 | 176.6 | -79.1 | 175.3 | -177.6 | 0 | 0 | 112.1 | Q342 I348 G350 L353 | Q342-E346 HydrophobicContact CG-CG 4.3Å; Q342-E346 WeakPolarHBondContact CG-OE1 3.05Å; Q342-E346 PolarHBondContact NE2-OE1 2.88Å; Q342-E346 WeakPolarHBondContact O-CB 2.95Å; Q342-E346 WeakPolarHBondContact O-CG 3.25Å; Q342-E346 PolarHBondContact O-N 3.41Å; E346-I348 PolarHBondContact O-N 3.32Å; E346-G350 WeakPolarHBondContact O-CA 3.49Å; E346-G350 PolarHBondContact O-N 3.22Å; E346-L353 WeakPolarHBondContact O-CD1 3.38Å |
| 347 | R | 88.1 | Confident | 86 | Confident | 183 Ų | 183 | 56.8 Ų | 56.8 | 69% | 0.691 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -68.5 | -17.5 | 173.3 | -73.3 | 170.6 | 179.4 | 170.8 | -1.5 | 114.3 | K343 N344 M345 L353 | K343-R347 VanDerWaalsContact O-CG 3.31Å; K343-R347 WeakPolarHBondContact O-CG 3.4Å; K343-R347 PolarHBondContact O-N 2.67Å; N344-R347 PolarHBondContact O-N 2.93Å; M345-R347 PolarHBondContact O-N 3.27Å; R347-L353 WeakPolarHBondContact O-CD1 2.95Å |
| 348 | I | 87.1 | Confident | 85.6 | Confident | 52 Ų | 52 | 60 Ų | 60 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -101 | -47.9 | 179.3 | -58.3 | -55.3 | 0 | 0 | 0 | 111 | M345 E346 V356 L361 K364 F368 | M345-I348 WeakPolarHBondContact O-CA 3.37Å; M345-I348 PolarHBondContact O-N 3.49Å; E346-I348 PolarHBondContact O-N 3.32Å; I348-V356 HydrophobicContact CG2-CG2 4.26Å; I348-L361 HydrophobicContact CG2-CD1 4.11Å; I348-K364 HydrophobicContact CG2-CG 4.49Å; I348-F368 HydrophobicContact CG1-CE2 3.86Å; I348-F368 HydrophobicContact CG1-CZ 4.42Å |
| 349 | C | 82.4 | Confident | 85.2 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.014 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -124.6 | 13.9 | -171.8 | 65.1 | 0 | 0 | 0 | 0 | 114.7 | M345 L361 N410 K413 | M345-C349 PolarHBondContact O-N 3.12Å; M345-C349 PolarHBondContact O-SG 2.72Å; C349-L361 HydrophobicContact CB-CD1 3.77Å; C349-N410 HydrophobicContact CB-CB 4.47Å; C349-K413 PolarHBondContact O-NZ 3.46Å |
| 350 | G | 82.2 | Confident | 85 | Confident | 13 Ų | 13 | 66.6 Ų | 66.6 | 13% | 0.134 | 36% | 0.363 | C | S | . | . | trans | -55.3 | 158.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E346 D352 L353 K413 | E346-G350 WeakPolarHBondContact O-CA 3.49Å; E346-G350 PolarHBondContact O-N 3.22Å; G350-D352 VanDerWaalsContact C-N 3.26Å; G350-D352 PolarHBondContact O-N 3.29Å; G350-L353 WeakPolarHBondContact O-CB 3.46Å; G350-L353 PolarHBondContact O-N 2.84Å; G350-K413 PolarHBondContact O-NZ 3.45Å | ||
| 351 | G | 74.4 | Confident | 84.8 | Confident | 67 Ų | 67 | 63.8 Ų | 63.8 | 69% | 0.691 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -39.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L353 | G351-L353 VanDerWaalsContact C-N 3.33Å; G351-L353 PolarHBondContact O-N 2.97Å |
| 352 | D | 71.1 | Confident | 84.6 | Confident | 172 Ų | 172 | 68.6 Ų | 68.6 | 92% | 0.92 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -7.5 | -177.5 | -57.1 | -40.3 | 0 | 0 | 0 | 114.2 | G350 | G350-D352 VanDerWaalsContact C-N 3.26Å; G350-D352 PolarHBondContact O-N 3.29Å |
| 353 | L | 74.3 | Confident | 84.6 | Confident | 64 Ų | 64 | 71.3 Ų | 71.3 | 34% | 0.335 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -89.1 | 149.4 | -178.5 | -64.5 | 174.3 | 0 | 0 | 0 | 111.6 | E346 R347 G350 G351 K413 | E346-L353 WeakPolarHBondContact O-CD1 3.38Å; R347-L353 WeakPolarHBondContact O-CD1 2.95Å; G350-L353 WeakPolarHBondContact O-CB 3.46Å; G350-L353 PolarHBondContact O-N 2.84Å; G351-L353 VanDerWaalsContact C-N 3.33Å; G351-L353 PolarHBondContact O-N 2.97Å; L353-K413 WeakPolarHBondContact O-CD 3.38Å; L353-K413 WeakPolarHBondContact O-CE 3.46Å; L353-K413 PolarHBondContact O-NZ 2.68Å |
| 354 | P | 73.6 | Confident | 84.7 | Confident | 101 Ų | 101 | 72.8 Ų | 72.8 | 66% | 0.656 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -63 | 164.9 | 178.8 | 27.7 | -35.4 | 0 | 0 | 0 | 112.2 | V356 | P354-V356 PolarHBondContact O-N 3.49Š|
| 355 | Y | 79.1 | Confident | 84.7 | Confident | 81 Ų | 81 | 72.1 Ų | 72.1 | 32% | 0.318 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 134 | 172.5 | 170.3 | -104.8 | 0 | 0 | 0 | 111.4 | P358 N410 N414 | Y355-P358 VanDerWaalsContact OH-CD 3.3Å; Y355-P358 WeakPolarHBondContact OH-CD 3.29Å; Y355-N410 VanDerWaalsContact CD2-O 3.31Å; Y355-N410 WeakPolarHBondContact CD2-O 3.29Å; Y355-N410 WeakPolarHBondContact CE2-ND2 3.28Å; Y355-N414 HydrophobicContact CD1-CB 4.5Å; Y355-N414 HydrophobicContact CD2-CB 3.73Å; Y355-N414 HydrophobicContact CE2-CB 3.74Å; Y355-N414 HydrophobicContact CG-CB 4.1Å |
| 356 | V | 80.9 | Confident | 84.8 | Confident | 32 Ų | 32 | 76.6 Ų | 76.6 | 19% | 0.194 | 41% | 0.411 | C | S | . | . | trans | -107.6 | 138 | 173.4 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | I348 P354 A360 L361 N410 | I348-V356 HydrophobicContact CG2-CG2 4.26Å; P354-V356 PolarHBondContact O-N 3.49Å; V356-A360 HydrophobicContact CG1-CB 4.2Å; V356-L361 HydrophobicContact CB-CB 4.48Å; V356-L361 HydrophobicContact CB-CD1 4.46Å; V356-L361 HydrophobicContact CG1-CB 4.07Å; V356-L361 HydrophobicContact CG1-CD1 4.46Å; V356-N410 PolarHBondContact N-OD1 2.98Å; V356-N410 PolarHBondContact O-ND2 3.42Å | ||
| 357 | A | 82.9 | Confident | 85.2 | Confident | 50 Ų | 50 | 77.9 Ų | 77.9 | 41% | 0.413 | 42% | 0.416 | S | S | . | . | trans | -61.5 | 145.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E359 A360 L361 | A357-E359 PolarHBondContact O-N 3.36Å; A357-A360 PolarHBondContact O-N 3.38Å; A357-L361 WeakPolarHBondContact O-CB 3.46Å; A357-L361 PolarHBondContact O-N 3.12Å | ||
| 358 | P | 86.1 | Confident | 85.5 | Confident | 69 Ų | 69 | 70.4 Ų | 70.4 | 45% | 0.448 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | -171.2 | -22.6 | 36.2 | 0 | 0 | 0 | 112.7 | Y355 A360 L361 E362 | Y355-P358 VanDerWaalsContact OH-CD 3.3Å; Y355-P358 WeakPolarHBondContact OH-CD 3.29Å; P358-A360 PolarHBondContact O-N 3.2Å; P358-L361 PolarHBondContact O-N 3.06Å; P358-E362 WeakPolarHBondContact O-CB 3.28Å; P358-E362 PolarHBondContact O-N 2.97Å |
| 359 | E | 87.1 | Confident | 85.9 | Confident | 166 Ų | 166 | 69.6 Ų | 69.6 | 78% | 0.776 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.2 | -46.2 | 178 | -63.6 | 174.8 | -178.3 | 0 | 0 | 112.1 | A357 L361 E362 E363 | A357-E359 PolarHBondContact O-N 3.36Å; E359-L361 VanDerWaalsContact C-N 3.33Å; E359-L361 PolarHBondContact O-N 3.21Å; E359-E362 PolarHBondContact O-N 3.15Å; E359-E363 PolarHBondContact O-N 3.08Å |
| 360 | A | 86.4 | Confident | 86.5 | Confident | 42 Ų | 42 | 71.3 Ų | 71.3 | 35% | 0.347 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.5 | -34.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V356 A357 P358 K364 | V356-A360 HydrophobicContact CG1-CB 4.2Å; A357-A360 PolarHBondContact O-N 3.38Å; P358-A360 PolarHBondContact O-N 3.2Å; A360-K364 WeakPolarHBondContact O-CG 3.38Å; A360-K364 PolarHBondContact O-N 3.15Å |
| 361 | L | 88.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.005 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.6 | -40.7 | 176.7 | -172.8 | 67.2 | 0 | 0 | 0 | 111.1 | M345 I348 C349 V356 A357 P358 E359 K364 H365 W403 N410 | M345-L361 HydrophobicContact CE-CD1 4.01Å; I348-L361 HydrophobicContact CG2-CD1 4.11Å; C349-L361 HydrophobicContact CB-CD1 3.77Å; V356-L361 HydrophobicContact CB-CB 4.48Å; V356-L361 HydrophobicContact CB-CD1 4.46Å; V356-L361 HydrophobicContact CG1-CB 4.07Å; V356-L361 HydrophobicContact CG1-CD1 4.46Å; A357-L361 WeakPolarHBondContact O-CB 3.46Å; A357-L361 PolarHBondContact O-N 3.12Å; P358-L361 PolarHBondContact O-N 3.06Å; E359-L361 VanDerWaalsContact C-N 3.33Å; E359-L361 PolarHBondContact O-N 3.21Å; L361-K364 PolarHBondContact O-N 3.32Å; L361-H365 WeakPolarHBondContact O-CB 3.19Å; L361-H365 PolarHBondContact O-N 3.33Å; L361-W403 HydrophobicContact CB-CH2 4.24Å; L361-W403 HydrophobicContact CD1-CZ3 4.42Å; L361-W403 HydrophobicContact CD2-CH2 3.87Å; L361-W403 HydrophobicContact CD2-CZ3 3.88Å; L361-W403 HydrophobicContact CG-CH2 3.65Å; L361-W403 HydrophobicContact CG-CZ3 3.64Å; L361-N410 HydrophobicContact CD2-CB 3.91Å |
| 362 | E | 92.6 | Very high | 88.1 | Confident | 103 Ų | 103 | 71 Ų | 71 | 48% | 0.481 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 176.5 | -173.9 | 175.2 | -172.5 | 0 | 0 | 111.8 | P358 E359 K364 H365 N366 W403 | P358-E362 WeakPolarHBondContact O-CB 3.28Å; P358-E362 PolarHBondContact O-N 2.97Å; E359-E362 PolarHBondContact O-N 3.15Å; E362-K364 VanDerWaalsContact C-N 3.32Å; E362-K364 PolarHBondContact O-N 3.49Å; E362-H365 WeakPolarHBondContact O-CB 3.46Å; E362-H365 PolarHBondContact O-N 2.93Å; E362-N366 PolarHBondContact O-N 3.14Å; E362-N366 PolarHBondContact O-ND2 3.39Å; E362-W403 HydrophobicContact CB-CH2 4.35Å; E362-W403 HydrophobicContact CB-CZ2 4.23Å; E362-W403 HydrophobicContact CG-CZ2 4.47Å |
| 363 | E | 93.6 | Very high | 89.2 | Confident | 131 Ų | 131 | 64 Ų | 64 | 61% | 0.612 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -57.4 | -45.5 | 172.9 | -170.8 | -168.8 | 163.1 | 0 | 0 | 111.4 | E359 N366 F367 | E359-E363 PolarHBondContact O-N 3.08Å; E363-N366 PolarHBondContact O-N 3.46Å; E363-F367 PolarHBondContact O-N 3.38Å; E363-F367 VanDerWaalsContact O-N 3.1Å |
| 364 | K | 92.8 | Very high | 90.2 | Very high | 86 Ų | 86 | 66.6 Ų | 66.6 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 177 | -67.2 | -61.1 | 177.6 | -165.8 | 0 | 112.6 | I348 A360 L361 E362 F367 F368 | I348-K364 HydrophobicContact CG2-CG 4.49Å; A360-K364 WeakPolarHBondContact O-CG 3.38Å; A360-K364 PolarHBondContact O-N 3.15Å; L361-K364 PolarHBondContact O-N 3.32Å; E362-K364 VanDerWaalsContact C-N 3.32Å; E362-K364 PolarHBondContact O-N 3.49Å; K364-F367 PolarHBondContact O-N 3.45Å; K364-F368 HydrophobicContact CB-CD2 4.42Å; K364-F368 HydrophobicContact CB-CE2 4.19Å; K364-F368 WeakPolarHBondContact O-CD2 3.26Å; K364-F368 WeakPolarHBondContact O-CG 3.4Å; K364-F368 PolarHBondContact O-N 2.9Å |
| 365 | H | 94.5 | Very high | 91 | Very high | 12 Ų | 12 | 65.3 Ų | 65.3 | 6% | 0.056 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.7 | -52.9 | 173.2 | 163.2 | 67.2 | 0 | 0 | 0 | 111.3 | Y341 M345 L361 E362 F367 F368 H369 W403 | Y341-H365 AromaticContact CE2-ND1 3.7Å; Y341-H365 AromaticContact CZ-ND1 3.62Å; Y341-H365 PolarHBondContact OH-ND1 3.21Å; M345-H365 HydrophobicContact CE-CB 4.41Å; M345-H365 HydrophobicContact SD-CB 4.46Å; L361-H365 WeakPolarHBondContact O-CB 3.19Å; L361-H365 PolarHBondContact O-N 3.33Å; E362-H365 WeakPolarHBondContact O-CB 3.46Å; E362-H365 PolarHBondContact O-N 2.93Å; H365-F367 VanDerWaalsContact C-N 3.26Å; H365-F367 PolarHBondContact O-N 2.94Å; H365-F368 PolarHBondContact O-N 2.75Å; H365-H369 WeakPolarHBondContact O-CB 3.5Å; H365-H369 PolarHBondContact O-N 2.9Å; H365-W403 HydrophobicContact CB-CD2 4.01Å; H365-W403 HydrophobicContact CB-CE3 3.55Å; H365-W403 HydrophobicContact CB-CH2 3.84Å; H365-W403 HydrophobicContact CB-CZ2 4.27Å; H365-W403 HydrophobicContact CB-CZ3 3.46Å; H365-W403 VanDerWaalsContact CB-CZ3 3.46Å; H365-W403 AromaticContact CD2-CD2 3.9Å; H365-W403 AromaticContact CD2-CE2 3.96Å; H365-W403 AromaticContact CE1-CG 3.59Å; H365-W403 AromaticContact CG-CD2 3.56Å; H365-W403 AromaticContact CG-CE2 3.98Å; H365-W403 AromaticContact CG-CE3 3.56Å; H365-W403 AromaticContact CG-CG 3.97Å; H365-W403 AromaticContact CG-CZ3 3.99Å; H365-W403 AromaticContact ND1-CD2 3.65Å; H365-W403 AromaticContact ND1-CE3 3.68Å; H365-W403 AromaticContact ND1-CG 3.67Å; H365-W403 AromaticContact NE2-CD1 3.91Å; H365-W403 AromaticContact NE2-CG 3.85Å |
| 366 | N | 95.1 | Very high | 91.7 | Very high | 93 Ų | 93 | 61.5 Ų | 61.5 | 50% | 0.497 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.1 | -40.7 | -179.6 | -71.9 | -30.1 | 0 | 0 | 0 | 111.9 | E362 E363 G370 | E362-N366 PolarHBondContact O-N 3.14Å; E362-N366 PolarHBondContact O-ND2 3.39Å; E363-N366 PolarHBondContact O-N 3.46Å; N366-G370 PolarHBondContact O-N 3.43Å |
| 367 | F | 95.3 | Very high | 92.2 | Very high | 115 Ų | 115 | 62.4 Ų | 62.4 | 50% | 0.504 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.2 | -55.4 | 176.2 | -178.6 | -95.1 | 0 | 0 | 0 | 112.2 | E363 K364 H365 H369 G370 E371 | E363-F367 PolarHBondContact O-N 3.38Å; E363-F367 VanDerWaalsContact O-N 3.1Å; K364-F367 PolarHBondContact O-N 3.45Å; H365-F367 VanDerWaalsContact C-N 3.26Å; H365-F367 PolarHBondContact O-N 2.94Å; F367-H369 VanDerWaalsContact C-N 3.32Å; F367-H369 PolarHBondContact O-N 3.3Å; F367-G370 PolarHBondContact O-N 3.35Å; F367-E371 HydrophobicContact CD1-CG 4.49Å; F367-E371 VanDerWaalsContact CE1-CD 3.47Å; F367-E371 HydrophobicContact CE1-CG 4.03Å; F367-E371 WeakPolarHBondContact CE1-OE2 3.35Å; F367-E371 HydrophobicContact CZ-CG 4.19Å; F367-E371 PolarHBondContact O-N 2.91Å |
| 368 | F | 95.4 | Very high | 92.4 | Very high | 26 Ų | 26 | 65.2 Ų | 65.2 | 11% | 0.114 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.5 | -30.3 | -178.1 | -64 | -43.5 | 0 | 0 | 0 | 113.2 | Y341 N344 M345 I348 K364 H365 E371 A372 | Y341-F368 HydrophobicContact CD2-CB 3.85Å; Y341-F368 HydrophobicContact CE2-CB 4.19Å; N344-F368 HydrophobicContact CB-CB 4.39Å; N344-F368 HydrophobicContact CB-CD1 3.66Å; N344-F368 HydrophobicContact CB-CD2 3.82Å; N344-F368 HydrophobicContact CB-CE1 3.77Å; N344-F368 HydrophobicContact CB-CE2 3.9Å; N344-F368 HydrophobicContact CB-CG 3.7Å; N344-F368 HydrophobicContact CB-CZ 3.89Å; N344-F368 WeakPolarHBondContact ND2-CD1 3.08Å; M345-F368 HydrophobicContact CG-CD2 4.35Å; M345-F368 HydrophobicContact SD-CD2 3.77Å; M345-F368 HydrophobicContact SD-CE2 4.47Å; I348-F368 HydrophobicContact CG1-CE2 3.86Å; I348-F368 HydrophobicContact CG1-CZ 4.42Å; K364-F368 HydrophobicContact CB-CD2 4.42Å; K364-F368 HydrophobicContact CB-CE2 4.19Å; K364-F368 WeakPolarHBondContact O-CD2 3.26Å; K364-F368 WeakPolarHBondContact O-CG 3.4Å; K364-F368 PolarHBondContact O-N 2.9Å; H365-F368 PolarHBondContact O-N 2.75Å; F368-E371 WeakPolarHBondContact CD1-OE2 3.35Å; F368-E371 PolarHBondContact O-N 2.77Å; F368-A372 WeakPolarHBondContact O-CB 3.29Å; F368-A372 PolarHBondContact O-N 3.24Å |
| 369 | H | 95.8 | Very high | 92.4 | Very high | 36 Ų | 36 | 64 Ų | 64 | 17% | 0.167 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.6 | -49.4 | 171.1 | 180 | -83.5 | 0 | 0 | 0 | 110 | Y341 H365 F367 E371 A372 I373 | Y341-H369 HydrophobicContact CE2-CB 4.37Å; H365-H369 WeakPolarHBondContact O-CB 3.5Å; H365-H369 PolarHBondContact O-N 2.9Å; F367-H369 VanDerWaalsContact C-N 3.32Å; F367-H369 PolarHBondContact O-N 3.3Å; H369-E371 VanDerWaalsContact C-N 3.34Å; H369-E371 PolarHBondContact O-N 3.37Å; H369-A372 PolarHBondContact O-N 3.44Å; H369-I373 WeakPolarHBondContact O-CG1 3.44Å; H369-I373 PolarHBondContact O-N 3.22Å |
| 370 | G | 94.4 | Very high | 92.2 | Very high | 38 Ų | 38 | 62.5 Ų | 62.5 | 39% | 0.392 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.9 | -44.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | N366 F367 I373 H374 | N366-G370 PolarHBondContact O-N 3.43Å; F367-G370 PolarHBondContact O-N 3.35Å; G370-I373 PolarHBondContact O-N 3.32Å; G370-H374 VanDerWaalsContact O-CB 3.27Å; G370-H374 WeakPolarHBondContact O-CB 3.24Å; G370-H374 PolarHBondContact O-N 2.56Å |
| 371 | E | 94.8 | Very high | 92.1 | Very high | 72 Ų | 72 | 62.4 Ų | 62.4 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176 | -73.5 | -163.6 | 121.2 | 0 | 0 | 112.8 | F367 F368 H369 H374 M375 | F367-E371 HydrophobicContact CD1-CG 4.49Å; F367-E371 VanDerWaalsContact CE1-CD 3.47Å; F367-E371 HydrophobicContact CE1-CG 4.03Å; F367-E371 WeakPolarHBondContact CE1-OE2 3.35Å; F367-E371 HydrophobicContact CZ-CG 4.19Å; F367-E371 PolarHBondContact O-N 2.91Å; F368-E371 WeakPolarHBondContact CD1-OE2 3.35Å; F368-E371 PolarHBondContact O-N 2.77Å; H369-E371 VanDerWaalsContact C-N 3.34Å; H369-E371 PolarHBondContact O-N 3.37Å; E371-H374 PolarHBondContact O-N 2.87Å; E371-M375 WeakPolarHBondContact O-CB 3.27Å; E371-M375 PolarHBondContact O-N 3.14Å |
| 372 | A | 95.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | A337 F368 H369 H374 M375 F376 L399 | A337-A372 HydrophobicContact CB-CB 4.39Å; F368-A372 WeakPolarHBondContact O-CB 3.29Å; F368-A372 PolarHBondContact O-N 3.24Å; H369-A372 PolarHBondContact O-N 3.44Å; A372-H374 VanDerWaalsContact C-N 3.35Å; A372-M375 PolarHBondContact O-N 3.48Å; A372-F376 PolarHBondContact O-N 2.86Å; A372-L399 HydrophobicContact CB-CD1 3.92Å |
| 373 | I | 95.4 | Very high | 90.8 | Very high | 24 Ų | 24 | 61 Ų | 61 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 174.8 | -62.7 | -55.6 | 0 | 0 | 0 | 111 | H369 G370 F376 A377 L395 Q396 L399 | H369-I373 WeakPolarHBondContact O-CG1 3.44Å; H369-I373 PolarHBondContact O-N 3.22Å; G370-I373 PolarHBondContact O-N 3.32Å; I373-F376 PolarHBondContact O-N 3.33Å; I373-A377 WeakPolarHBondContact O-CB 3.23Å; I373-A377 PolarHBondContact O-N 2.87Å; I373-L395 HydrophobicContact CD1-CD2 3.83Å; I373-L395 HydrophobicContact CD1-CG 4.01Å; I373-Q396 HydrophobicContact CD1-CG 3.5Å; I373-Q396 HydrophobicContact CG1-CG 4.31Å; I373-L399 HydrophobicContact CD1-CD1 4.1Å; I373-L399 HydrophobicContact CG1-CD1 4.47Å |
| 374 | H | 93.6 | Very high | 90.3 | Very high | 119 Ų | 119 | 57 Ų | 57 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.2 | -40.4 | 176.9 | -177.7 | -106 | 0 | 0 | 0 | 112.2 | G370 E371 A372 A377 N378 | G370-H374 VanDerWaalsContact O-CB 3.27Å; G370-H374 WeakPolarHBondContact O-CB 3.24Å; G370-H374 PolarHBondContact O-N 2.56Å; E371-H374 PolarHBondContact O-N 2.87Å; A372-H374 VanDerWaalsContact C-N 3.35Å; H374-A377 PolarHBondContact O-N 2.97Å; H374-N378 PolarHBondContact CD2-ND2 3.02Å; H374-N378 PolarHBondContact CE1-ND2 3.43Å; H374-N378 PolarHBondContact ND1-ND2 3.02Å; H374-N378 PolarHBondContact NE2-ND2 3.32Å; H374-N378 WeakPolarHBondContact O-CB 3.41Å; H374-N378 PolarHBondContact O-N 3.22Å; H374-N378 PolarHBondContact O-ND2 3.36Å |
| 375 | M | 92.2 | Very high | 89.7 | Confident | 75 Ų | 75 | 59.4 Ų | 59.4 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 173 | -174.6 | -162.7 | -175.5 | 0 | 0 | 111 | A336 A337 Q340 E371 A372 T379 | A336-M375 HydrophobicContact CB-CE 4.17Å; A337-M375 HydrophobicContact CB-SD 4.43Å; Q340-M375 HydrophobicContact CB-SD 4.42Å; Q340-M375 PolarHBondContact OE1-SD 3.12Å; E371-M375 WeakPolarHBondContact O-CB 3.27Å; E371-M375 PolarHBondContact O-N 3.14Å; A372-M375 PolarHBondContact O-N 3.48Å; M375-T379 PolarHBondContact O-N 3.49Å; M375-T379 PolarHBondContact O-OG1 3.47Å |
| 376 | F | 93.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.7 | -49.2 | 177 | 179.5 | -93.3 | 0 | 0 | 0 | 111.1 | A333 V334 A337 A372 I373 N378 T379 K381 Q392 L395 | A333-F376 HydrophobicContact CB-CD2 3.78Å; A333-F376 HydrophobicContact CB-CE2 3.78Å; V334-F376 HydrophobicContact CG2-CD2 4.13Å; V334-F376 HydrophobicContact CG2-CE2 3.59Å; V334-F376 HydrophobicContact CG2-CZ 4.37Å; A337-F376 HydrophobicContact CB-CB 4.25Å; A372-F376 PolarHBondContact O-N 2.86Å; I373-F376 PolarHBondContact O-N 3.33Å; F376-N378 PolarHBondContact O-N 3.19Å; F376-T379 PolarHBondContact O-N 3.16Å; F376-K381 HydrophobicContact CD2-CD 4.5Å; F376-K381 HydrophobicContact CE1-CD 4.13Å; F376-K381 HydrophobicContact CE2-CD 3.88Å; F376-K381 HydrophobicContact CZ-CD 3.67Å; F376-K381 PolarHBondContact O-NZ 3.06Å; F376-Q392 HydrophobicContact CD1-CB 4.08Å; F376-Q392 HydrophobicContact CD1-CG 4.21Å; F376-Q392 HydrophobicContact CE1-CB 3.71Å; F376-Q392 HydrophobicContact CE1-CG 4.33Å; F376-L395 HydrophobicContact CB-CD2 3.57Å; F376-L395 HydrophobicContact CD2-CD2 4.01Å; F376-L395 HydrophobicContact CG-CD2 3.78Å |
| 377 | A | 89.9 | Confident | 88.9 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 42% | 0.421 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59 | -45 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I373 H374 T379 K381 | I373-A377 WeakPolarHBondContact O-CB 3.23Å; I373-A377 PolarHBondContact O-N 2.87Å; H374-A377 PolarHBondContact O-N 2.97Å; A377-T379 VanDerWaalsContact C-N 3.33Å; A377-T379 PolarHBondContact O-N 3.17Å; A377-K381 PolarHBondContact O-NZ 3.18Å; A377-K381 VanDerWaalsContact O-NZ 3.16Å |
| 378 | N | 88.6 | Confident | 88.5 | Confident | 108 Ų | 108 | 59.7 Ų | 59.7 | 58% | 0.578 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -77.1 | -13.6 | -177.5 | -72.3 | -29 | 0 | 0 | 0 | 114.8 | H374 F376 K380 | H374-N378 PolarHBondContact CD2-ND2 3.02Å; H374-N378 PolarHBondContact CE1-ND2 3.43Å; H374-N378 PolarHBondContact ND1-ND2 3.02Å; H374-N378 PolarHBondContact NE2-ND2 3.32Å; H374-N378 WeakPolarHBondContact O-CB 3.41Å; H374-N378 PolarHBondContact O-N 3.22Å; H374-N378 PolarHBondContact O-ND2 3.36Å; F376-N378 PolarHBondContact O-N 3.19Å; N378-K380 PolarHBondContact O-N 3.46Å |
| 379 | T | 85.8 | Confident | 88.2 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 27% | 0.27 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -68.5 | 129.1 | 174.1 | -59.1 | 0 | 0 | 0 | 0 | 109.1 | A333 M375 F376 A377 K381 | A333-T379 HydrophobicContact CB-CG2 4.13Å; M375-T379 PolarHBondContact O-N 3.49Å; M375-T379 PolarHBondContact O-OG1 3.47Å; F376-T379 PolarHBondContact O-N 3.16Å; A377-T379 VanDerWaalsContact C-N 3.33Å; A377-T379 PolarHBondContact O-N 3.17Å; T379-K381 HydrophobicContact CG2-CG 4.46Å; T379-K381 WeakPolarHBondContact O-CG 3.25Å; T379-K381 PolarHBondContact O-N 3.19Å; T379-K381 PolarHBondContact O-NZ 3.14Å |
| 380 | K | 83.6 | Confident | 88.1 | Confident | 134 Ų | 134 | 68.8 Ų | 68.8 | 58% | 0.583 | 37% | 0.368 | S | S | * | . | trans | -65 | 123.7 | 176.2 | -64.7 | 178.7 | 179.5 | 178.2 | 0 | 109.1 | N292 N329 N378 | N292-K380 PolarHBondContact ND2-O 2.92Å; N329-K380 PolarHBondContact OD1-O 2.86Å; N378-K380 PolarHBondContact O-N 3.46Å | ||
| 381 | K | 83.6 | Confident | 88 | Confident | 40 Ų | 40 | 68.3 Ų | 68.3 | 17% | 0.174 | 35% | 0.354 | C | S | . | . | trans | -126.8 | 153.5 | -176 | -67.4 | 170.3 | -51.9 | -68.7 | 0 | 111.7 | N329 N330 A333 F376 A377 T379 | N329-K381 VanDerWaalsContact OD1-CA 3.26Å; N329-K381 WeakPolarHBondContact OD1-CA 3.08Å; N330-K381 WeakPolarHBondContact OD1-CD 3.39Å; A333-K381 HydrophobicContact CB-CD 4.16Å; F376-K381 HydrophobicContact CD2-CD 4.5Å; F376-K381 HydrophobicContact CE1-CD 4.13Å; F376-K381 HydrophobicContact CE2-CD 3.88Å; F376-K381 HydrophobicContact CZ-CD 3.67Å; F376-K381 PolarHBondContact O-NZ 3.06Å; A377-K381 PolarHBondContact O-NZ 3.18Å; A377-K381 VanDerWaalsContact O-NZ 3.16Å; T379-K381 HydrophobicContact CG2-CG 4.46Å; T379-K381 WeakPolarHBondContact O-CG 3.25Å; T379-K381 PolarHBondContact O-N 3.19Å; T379-K381 PolarHBondContact O-NZ 3.14Å | ||
| 382 | M | 77.7 | Confident | 88 | Confident | 21 Ų | 21 | 67.2 Ų | 67.2 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -93.7 | 162.6 | 174.8 | -62.7 | 178.8 | 173.4 | 0 | 0 | 111.2 | I178 N290 T325 A326 N330 | I178-M382 HydrophobicContact CD1-CE 3.35Å; I178-M382 HydrophobicContact CD1-CG 4.23Å; I178-M382 HydrophobicContact CD1-SD 3.62Å; I178-M382 HydrophobicContact CG2-CE 4.34Å; N290-M382 HydrophobicContact CB-CE 3.46Å; N290-M382 VanDerWaalsContact CB-CE 3.46Å; N290-M382 HydrophobicContact CB-CG 4.13Å; N290-M382 VanDerWaalsContact ND2-CG 3.25Å; N290-M382 WeakPolarHBondContact ND2-CG 3.01Å; T325-M382 HydrophobicContact CG2-CE 3.91Å; T325-M382 HydrophobicContact CG2-SD 3.81Å; A326-M382 HydrophobicContact CB-CB 3.51Å; A326-M382 HydrophobicContact CB-SD 4.41Å; N330-M382 PolarHBondContact ND2-O 3.14Å; N330-M382 VanDerWaalsContact ND2-O 3.11Å |
| 383 | G | 76.6 | Confident | 87.9 | Confident | 53 Ų | 53 | 69.8 Ų | 69.8 | 55% | 0.546 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 98.4 | 0.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116 | F387 | G383-F387 WeakPolarHBondContact O-CB 3.3Š|
| 384 | G | 82.1 | Confident | 87.9 | Confident | 48 Ų | 48 | 72.3 Ų | 72.3 | 50% | 0.495 | 38% | 0.382 | S | S | . | . | trans | 78.3 | 174.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | F387 C388 | G384-F387 PolarHBondContact O-N 3.42Å; G384-C388 PolarHBondContact O-N 3.4Å; G384-C388 VanDerWaalsContact O-N 3.16Å; G384-C388 PolarHBondContact O-SG 2.84Å | ||
| 385 | Q | 81.4 | Confident | 88 | Confident | 136 Ų | 136 | 66.7 Ų | 66.7 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.5 | -47.8 | -171.3 | -168 | 64.6 | 34.5 | 0 | 0 | 112.4 | F387 C388 D389 | Q385-F387 PolarHBondContact O-N 3.28Å; Q385-C388 WeakPolarHBondContact O-CB 3.25Å; Q385-C388 PolarHBondContact O-N 2.79Å; Q385-D389 PolarHBondContact NE2-OD1 2.76Å; Q385-D389 PolarHBondContact O-N 2.86Å |
| 386 | E | 84.6 | Confident | 88.1 | Confident | 161 Ų | 161 | 66.7 Ų | 66.7 | 75% | 0.752 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.5 | -34.9 | -179.2 | -65.3 | -176.8 | 175.9 | 0 | 0 | 113.1 | ||
| 387 | F | 86.6 | Confident | 88.3 | Confident | 55 Ų | 55 | 73 Ų | 73 | 24% | 0.241 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70 | -44.8 | 175.5 | -169.5 | -97.6 | 0 | 0 | 0 | 110.8 | A326 E327 G383 G384 Q385 D389 R390 Y391 | A326-F387 HydrophobicContact CB-CE1 4.24Å; E327-F387 HydrophobicContact CB-CZ 4.39Å; G383-F387 WeakPolarHBondContact O-CB 3.3Å; G384-F387 PolarHBondContact O-N 3.42Å; Q385-F387 PolarHBondContact O-N 3.28Å; F387-D389 VanDerWaalsContact C-N 3.31Å; F387-D389 PolarHBondContact O-N 3.44Å; F387-R390 PolarHBondContact O-N 3.13Å; F387-Y391 HydrophobicContact CD1-CD2 4.21Å; F387-Y391 AromaticContact CD1-CE2 3.83Å; F387-Y391 HydrophobicContact CD1-CE2 3.83Å; F387-Y391 HydrophobicContact CE1-CD2 4.11Å; F387-Y391 AromaticContact CE1-CE2 3.36Å; F387-Y391 HydrophobicContact CE1-CE2 3.36Å; F387-Y391 HydrophobicContact CE2-CE2 4.25Å; F387-Y391 HydrophobicContact CG-CE2 4.46Å; F387-Y391 AromaticContact CZ-CE2 3.61Å; F387-Y391 HydrophobicContact CZ-CE2 3.61Å; F387-Y391 VanDerWaalsContact O-CD2 3.31Å; F387-Y391 WeakPolarHBondContact O-CD2 3.26Å |
| 388 | C | 87.8 | Confident | 88.5 | Confident | 10 Ų | 10 | 72.5 Ų | 72.5 | 7% | 0.068 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 176.8 | -66 | 0 | 0 | 0 | 0 | 112.3 | G384 Q385 R390 Y391 Q392 | G384-C388 PolarHBondContact O-N 3.4Å; G384-C388 VanDerWaalsContact O-N 3.16Å; G384-C388 PolarHBondContact O-SG 2.84Å; Q385-C388 WeakPolarHBondContact O-CB 3.25Å; Q385-C388 PolarHBondContact O-N 2.79Å; C388-R390 VanDerWaalsContact C-N 3.25Å; C388-R390 PolarHBondContact O-N 2.81Å; C388-Y391 PolarHBondContact O-N 2.96Å; C388-Y391 VanDerWaalsContact O-N 3.14Å; C388-Q392 PolarHBondContact O-N 3.33Å |
| 389 | D | 89.8 | Confident | 88.8 | Confident | 72 Ų | 72 | 67.3 Ų | 67.3 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62 | -33.2 | -178 | -65.5 | -19.7 | 0 | 0 | 0 | 111.9 | Q385 F387 Q392 A393 | Q385-D389 PolarHBondContact NE2-OD1 2.76Å; Q385-D389 PolarHBondContact O-N 2.86Å; F387-D389 VanDerWaalsContact C-N 3.31Å; F387-D389 PolarHBondContact O-N 3.44Å; D389-Q392 PolarHBondContact O-N 3.26Å; D389-A393 WeakPolarHBondContact O-CB 3.47Å; D389-A393 PolarHBondContact O-N 2.76Å |
| 390 | R | 93.1 | Very high | 89.3 | Confident | 181 Ų | 181 | 68.7 Ų | 68.7 | 68% | 0.683 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 174.7 | -65.3 | -179.4 | -174 | 179.7 | 2.5 | 112.1 | F387 C388 A393 Q394 | F387-R390 PolarHBondContact O-N 3.13Å; C388-R390 VanDerWaalsContact C-N 3.25Å; C388-R390 PolarHBondContact O-N 2.81Å; R390-A393 PolarHBondContact O-N 3.45Å; R390-Q394 PolarHBondContact O-N 2.76Å |
| 391 | Y | 93.3 | Very high | 89.8 | Confident | 29 Ų | 29 | 67.3 Ų | 67.3 | 11% | 0.114 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -73.1 | -31.8 | 178 | -70.5 | -80 | 0 | 0 | 0 | 112.3 | E327 N330 L331 V334 F387 C388 Q394 L395 | E327-Y391 WeakPolarHBondContact CG-OH 3.42Å; N330-Y391 HydrophobicContact CB-CD1 4.01Å; N330-Y391 HydrophobicContact CB-CD2 3.51Å; N330-Y391 HydrophobicContact CB-CE1 4.35Å; N330-Y391 HydrophobicContact CB-CE2 3.92Å; N330-Y391 HydrophobicContact CB-CG 3.59Å; L331-Y391 HydrophobicContact CD2-CD1 4.1Å; L331-Y391 HydrophobicContact CD2-CE1 3.74Å; L331-Y391 HydrophobicContact CG-CD1 4.43Å; L331-Y391 HydrophobicContact CG-CE1 3.87Å; V334-Y391 HydrophobicContact CG2-CD1 4.41Å; F387-Y391 HydrophobicContact CD1-CD2 4.21Å; F387-Y391 AromaticContact CD1-CE2 3.83Å; F387-Y391 HydrophobicContact CD1-CE2 3.83Å; F387-Y391 HydrophobicContact CE1-CD2 4.11Å; F387-Y391 AromaticContact CE1-CE2 3.36Å; F387-Y391 HydrophobicContact CE1-CE2 3.36Å; F387-Y391 HydrophobicContact CE2-CE2 4.25Å; F387-Y391 HydrophobicContact CG-CE2 4.46Å; F387-Y391 AromaticContact CZ-CE2 3.61Å; F387-Y391 HydrophobicContact CZ-CE2 3.61Å; F387-Y391 VanDerWaalsContact O-CD2 3.31Å; F387-Y391 WeakPolarHBondContact O-CD2 3.26Å; C388-Y391 PolarHBondContact O-N 2.96Å; C388-Y391 VanDerWaalsContact O-N 3.14Å; Y391-Q394 PolarHBondContact O-N 3.09Å; Y391-L395 WeakPolarHBondContact O-CB 3.23Å; Y391-L395 PolarHBondContact O-N 3.21Å |
| 392 | Q | 93.3 | Very high | 90.3 | Very high | 48 Ų | 48 | 66.9 Ų | 66.9 | 22% | 0.224 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 171.7 | -171.8 | 172.4 | -31 | 0 | 0 | 111.4 | F376 C388 D389 Q394 L395 Q396 | F376-Q392 HydrophobicContact CD1-CB 4.08Å; F376-Q392 HydrophobicContact CD1-CG 4.21Å; F376-Q392 HydrophobicContact CE1-CB 3.71Å; F376-Q392 HydrophobicContact CE1-CG 4.33Å; C388-Q392 PolarHBondContact O-N 3.33Å; D389-Q392 PolarHBondContact O-N 3.26Å; Q392-Q394 VanDerWaalsContact C-N 3.33Å; Q392-L395 PolarHBondContact O-N 3.16Å; Q392-Q396 WeakPolarHBondContact O-CG 3.41Å; Q392-Q396 PolarHBondContact O-N 3.49Å |
| 393 | A | 94.4 | Very high | 91.1 | Very high | 55 Ų | 55 | 68 Ų | 68 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D389 R390 Q396 K397 | D389-A393 WeakPolarHBondContact O-CB 3.47Å; D389-A393 PolarHBondContact O-N 2.76Å; R390-A393 PolarHBondContact O-N 3.45Å; A393-Q396 PolarHBondContact O-N 2.89Å; A393-K397 PolarHBondContact O-N 3.35Å; A393-K397 VanDerWaalsContact O-N 3.11Å |
| 394 | Q | 94.2 | Very high | 91.9 | Very high | 78 Ų | 78 | 71.1 Ų | 71.1 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 172.5 | -178.2 | -176.8 | -12.6 | 0 | 0 | 111.6 | R390 Y391 Q392 Q396 K397 E398 | R390-Q394 PolarHBondContact O-N 2.76Å; Y391-Q394 PolarHBondContact O-N 3.09Å; Q392-Q394 VanDerWaalsContact C-N 3.33Å; Q394-Q396 PolarHBondContact O-N 3.24Å; Q394-K397 PolarHBondContact O-N 3.26Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.33Å; Q394-E398 PolarHBondContact NE2-OE1 2.96Å; Q394-E398 WeakPolarHBondContact O-CG 3.35Å; Q394-E398 PolarHBondContact O-N 2.76Å |
| 395 | L | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.5 | -49.8 | 177.7 | 174.1 | 61.9 | 0 | 0 | 0 | 111.1 | V334 A337 K338 I373 F376 Y391 Q392 K397 E398 L399 | V334-L395 HydrophobicContact CG1-CB 4.2Å; V334-L395 HydrophobicContact CG1-CD1 4.09Å; V334-L395 HydrophobicContact CG2-CB 4.29Å; A337-L395 HydrophobicContact CB-CD1 4.11Å; A337-L395 HydrophobicContact CB-CD2 3.74Å; K338-L395 HydrophobicContact CB-CD1 4.26Å; I373-L395 HydrophobicContact CD1-CD2 3.83Å; I373-L395 HydrophobicContact CD1-CG 4.01Å; F376-L395 HydrophobicContact CB-CD2 3.57Å; F376-L395 HydrophobicContact CD2-CD2 4.01Å; F376-L395 HydrophobicContact CG-CD2 3.78Å; Y391-L395 WeakPolarHBondContact O-CB 3.23Å; Y391-L395 PolarHBondContact O-N 3.21Å; Q392-L395 PolarHBondContact O-N 3.16Å; L395-K397 VanDerWaalsContact C-N 3.32Å; L395-K397 PolarHBondContact O-N 2.96Å; L395-E398 PolarHBondContact O-N 2.77Å; L395-E398 VanDerWaalsContact O-N 3.14Å; L395-L399 HydrophobicContact CD1-CD1 4.17Å; L395-L399 HydrophobicContact CD1-CD2 4.07Å; L395-L399 HydrophobicContact CD1-CG 3.92Å; L395-L399 HydrophobicContact CG-CD1 4.15Å; L395-L399 HydrophobicContact CG-CG 4.26Å; L395-L399 VanDerWaalsContact O-CG 3.29Å; L395-L399 WeakPolarHBondContact O-CG 3.36Å; L395-L399 PolarHBondContact O-N 3.19Å |
| 396 | Q | 95.8 | Very high | 92.7 | Very high | 76 Ų | 76 | 66 Ų | 66 | 36% | 0.355 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -53.9 | -49.5 | 177.7 | -74.6 | 176.2 | -13.6 | 0 | 0 | 111.5 | I373 Q392 A393 Q394 E398 L399 D400 | I373-Q396 HydrophobicContact CD1-CG 3.5Å; I373-Q396 HydrophobicContact CG1-CG 4.31Å; Q392-Q396 WeakPolarHBondContact O-CG 3.41Å; Q392-Q396 PolarHBondContact O-N 3.49Å; A393-Q396 PolarHBondContact O-N 2.89Å; Q394-Q396 PolarHBondContact O-N 3.24Å; Q396-E398 PolarHBondContact O-N 3.43Å; Q396-L399 PolarHBondContact O-N 3.48Å; Q396-D400 VanDerWaalsContact O-CG 3.3Å; Q396-D400 PolarHBondContact O-N 3.46Å |
| 397 | K | 96 | Very high | 92.9 | Very high | 133 Ų | 133 | 59.6 Ų | 59.6 | 58% | 0.578 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.7 | -44.5 | 177.3 | -173.2 | -175.1 | 175.2 | -167.4 | 0 | 112.5 | A393 Q394 L395 D400 E401 | A393-K397 PolarHBondContact O-N 3.35Å; A393-K397 VanDerWaalsContact O-N 3.11Å; Q394-K397 PolarHBondContact O-N 3.26Å; L395-K397 VanDerWaalsContact C-N 3.32Å; L395-K397 PolarHBondContact O-N 2.96Å; K397-D400 PolarHBondContact O-N 3.07Å; K397-E401 VanDerWaalsContact CE-OE1 3.23Å; K397-E401 WeakPolarHBondContact CE-OE1 3.43Å; K397-E401 IonicContact NZ-OE1 2.62Å; K397-E401 WeakPolarHBondContact O-CG 3.5Å; K397-E401 PolarHBondContact O-N 2.87Å |
| 398 | E | 94.9 | Very high | 93 | Very high | 40 Ų | 40 | 63.7 Ų | 63.7 | 19% | 0.187 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 178.5 | -71.5 | -174.3 | -153.2 | 0 | 0 | 112.8 | K338 Q394 L395 Q396 M402 | K338-E398 WeakPolarHBondContact CD-OE2 2.97Å; K338-E398 WeakPolarHBondContact CE-OE2 3.22Å; K338-E398 IonicContact NZ-OE2 3.19Å; K338-E398 PolarHBondContact NZ-OE2 3.48Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.33Å; Q394-E398 PolarHBondContact NE2-OE1 2.96Å; Q394-E398 WeakPolarHBondContact O-CG 3.35Å; Q394-E398 PolarHBondContact O-N 2.76Å; L395-E398 PolarHBondContact O-N 2.77Å; L395-E398 VanDerWaalsContact O-N 3.14Å; Q396-E398 PolarHBondContact O-N 3.43Å; E398-M402 WeakPolarHBondContact O-CG 3.16Å; E398-M402 PolarHBondContact O-N 3.18Å; E398-M402 VanDerWaalsContact O-N 3.1Å |
| 399 | L | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 174.1 | -64.8 | -176.5 | 0 | 0 | 0 | 111.4 | Y341 A372 I373 L395 Q396 M402 W403 | Y341-L399 HydrophobicContact CD1-CD2 3.67Å; Y341-L399 HydrophobicContact CD2-CD2 4.31Å; Y341-L399 HydrophobicContact CE1-CD2 4.37Å; Y341-L399 HydrophobicContact CG-CD2 3.62Å; A372-L399 HydrophobicContact CB-CD1 3.92Å; I373-L399 HydrophobicContact CD1-CD1 4.1Å; I373-L399 HydrophobicContact CG1-CD1 4.47Å; L395-L399 HydrophobicContact CD1-CD1 4.17Å; L395-L399 HydrophobicContact CD1-CD2 4.07Å; L395-L399 HydrophobicContact CD1-CG 3.92Å; L395-L399 HydrophobicContact CG-CD1 4.15Å; L395-L399 HydrophobicContact CG-CG 4.26Å; L395-L399 VanDerWaalsContact O-CG 3.29Å; L395-L399 WeakPolarHBondContact O-CG 3.36Å; L395-L399 PolarHBondContact O-N 3.19Å; Q396-L399 PolarHBondContact O-N 3.48Å; L399-M402 HydrophobicContact CD2-CE 3.41Å; L399-M402 VanDerWaalsContact CD2-CE 3.41Å; L399-M402 PolarHBondContact O-N 2.76Å; L399-W403 WeakPolarHBondContact O-CB 3.4Å; L399-W403 PolarHBondContact O-N 3.07Å |
| 400 | D | 94.8 | Very high | 92.7 | Very high | 73 Ų | 73 | 64.8 Ų | 64.8 | 39% | 0.39 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 176.3 | -69.6 | -25.6 | 0 | 0 | 0 | 111.9 | Q396 K397 W403 Q404 | Q396-D400 VanDerWaalsContact O-CG 3.3Å; Q396-D400 PolarHBondContact O-N 3.46Å; K397-D400 PolarHBondContact O-N 3.07Å; D400-W403 WeakPolarHBondContact O-CB 3.36Å; D400-W403 PolarHBondContact O-N 3.26Å; D400-Q404 WeakPolarHBondContact O-CG 3.44Å; D400-Q404 PolarHBondContact O-N 2.82Å |
| 401 | E | 94.9 | Very high | 92.2 | Very high | 104 Ų | 104 | 61 Ų | 61 | 49% | 0.486 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 175.2 | -73.9 | 175.1 | -174.2 | 0 | 0 | 111.6 | K397 Q404 S405 | K397-E401 VanDerWaalsContact CE-OE1 3.23Å; K397-E401 WeakPolarHBondContact CE-OE1 3.43Å; K397-E401 IonicContact NZ-OE1 2.62Å; K397-E401 WeakPolarHBondContact O-CG 3.5Å; K397-E401 PolarHBondContact O-N 2.87Å; E401-Q404 PolarHBondContact O-N 2.85Å; E401-S405 PolarHBondContact O-N 3.25Å |
| 402 | M | 93.5 | Very high | 91.6 | Very high | 31 Ų | 31 | 61.4 Ų | 61.4 | 15% | 0.153 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 174.4 | -76.9 | -169.7 | -59.7 | 0 | 0 | 112.2 | K338 Y341 Q342 E398 L399 Q404 S405 L406 | K338-M402 HydrophobicContact CB-CE 4.49Å; K338-M402 HydrophobicContact CD-CE 4.23Å; K338-M402 HydrophobicContact CD-SD 4.37Å; K338-M402 VanDerWaalsContact CE-SD 3.56Å; K338-M402 HydrophobicContact CG-CE 3.35Å; K338-M402 HydrophobicContact CG-SD 3.89Å; Y341-M402 HydrophobicContact CD1-CE 3.51Å; Y341-M402 HydrophobicContact CE1-CB 4.1Å; Y341-M402 HydrophobicContact CE1-CE 3.95Å; Q342-M402 HydrophobicContact CB-SD 4.47Å; E398-M402 WeakPolarHBondContact O-CG 3.16Å; E398-M402 PolarHBondContact O-N 3.18Å; E398-M402 VanDerWaalsContact O-N 3.1Å; L399-M402 HydrophobicContact CD2-CE 3.41Å; L399-M402 VanDerWaalsContact CD2-CE 3.41Å; L399-M402 PolarHBondContact O-N 2.76Å; M402-Q404 VanDerWaalsContact C-N 3.34Å; M402-Q404 PolarHBondContact O-N 2.93Å; M402-S405 WeakPolarHBondContact O-CB 3.12Å; M402-S405 PolarHBondContact O-N 2.95Å; M402-L406 WeakPolarHBondContact O-CB 3.44Å; M402-L406 WeakPolarHBondContact O-CG 3.38Å; M402-L406 PolarHBondContact O-N 3.01Å |
| 403 | W | 94.4 | Very high | 90.7 | Very high | 46 Ų | 46 | 61 Ų | 61 | 17% | 0.174 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57 | -47.5 | 174.9 | 167.3 | -122.6 | 0 | 0 | 0 | 111.8 | M345 L361 E362 H365 L399 D400 S405 L406 S407 | M345-W403 HydrophobicContact CE-CE3 3.85Å; M345-W403 HydrophobicContact CE-CZ3 3.68Å; L361-W403 HydrophobicContact CB-CH2 4.24Å; L361-W403 HydrophobicContact CD1-CZ3 4.42Å; L361-W403 HydrophobicContact CD2-CH2 3.87Å; L361-W403 HydrophobicContact CD2-CZ3 3.88Å; L361-W403 HydrophobicContact CG-CH2 3.65Å; L361-W403 HydrophobicContact CG-CZ3 3.64Å; E362-W403 HydrophobicContact CB-CH2 4.35Å; E362-W403 HydrophobicContact CB-CZ2 4.23Å; E362-W403 HydrophobicContact CG-CZ2 4.47Å; H365-W403 HydrophobicContact CB-CD2 4.01Å; H365-W403 HydrophobicContact CB-CE3 3.55Å; H365-W403 HydrophobicContact CB-CH2 3.84Å; H365-W403 HydrophobicContact CB-CZ2 4.27Å; H365-W403 HydrophobicContact CB-CZ3 3.46Å; H365-W403 VanDerWaalsContact CB-CZ3 3.46Å; H365-W403 AromaticContact CD2-CD2 3.9Å; H365-W403 AromaticContact CD2-CE2 3.96Å; H365-W403 AromaticContact CE1-CG 3.59Å; H365-W403 AromaticContact CG-CD2 3.56Å; H365-W403 AromaticContact CG-CE2 3.98Å; H365-W403 AromaticContact CG-CE3 3.56Å; H365-W403 AromaticContact CG-CG 3.97Å; H365-W403 AromaticContact CG-CZ3 3.99Å; H365-W403 AromaticContact ND1-CD2 3.65Å; H365-W403 AromaticContact ND1-CE3 3.68Å; H365-W403 AromaticContact ND1-CG 3.67Å; H365-W403 AromaticContact NE2-CD1 3.91Å; H365-W403 AromaticContact NE2-CG 3.85Å; L399-W403 WeakPolarHBondContact O-CB 3.4Å; L399-W403 PolarHBondContact O-N 3.07Å; D400-W403 WeakPolarHBondContact O-CB 3.36Å; D400-W403 PolarHBondContact O-N 3.26Å; W403-S405 VanDerWaalsContact C-N 3.27Å; W403-S405 PolarHBondContact O-N 2.83Å; W403-L406 PolarHBondContact O-N 2.93Å; W403-S407 VanDerWaalsContact O-CB 3.29Å; W403-S407 WeakPolarHBondContact O-CB 3.37Å; W403-S407 PolarHBondContact O-N 3.48Å |
| 404 | Q | 93.5 | Very high | 89.6 | Confident | 117 Ų | 117 | 61 Ų | 61 | 55% | 0.547 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 177.2 | -69.5 | 177.8 | 17.1 | 0 | 0 | 112.3 | D400 E401 M402 K408 | D400-Q404 WeakPolarHBondContact O-CG 3.44Å; D400-Q404 PolarHBondContact O-N 2.82Å; E401-Q404 PolarHBondContact O-N 2.85Å; M402-Q404 VanDerWaalsContact C-N 3.34Å; M402-Q404 PolarHBondContact O-N 2.93Å; Q404-K408 VanDerWaalsContact O-CG 3.3Å; Q404-K408 WeakPolarHBondContact O-CG 3.43Å; Q404-K408 PolarHBondContact O-N 3.01Å |
| 405 | S | 91.6 | Very high | 88.1 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 41% | 0.413 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.3 | -50.1 | 176.3 | -173.8 | 0 | 0 | 0 | 0 | 112 | E401 M402 W403 S407 K408 Q409 | E401-S405 PolarHBondContact O-N 3.25Å; M402-S405 WeakPolarHBondContact O-CB 3.12Å; M402-S405 PolarHBondContact O-N 2.95Å; W403-S405 VanDerWaalsContact C-N 3.27Å; W403-S405 PolarHBondContact O-N 2.83Å; S405-S407 PolarHBondContact O-N 2.83Å; S405-K408 PolarHBondContact O-N 2.81Å; S405-Q409 WeakPolarHBondContact O-CG 3.29Å; S405-Q409 PolarHBondContact O-N 2.96Å |
| 406 | L | 89.3 | Confident | 86.3 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 9% | 0.094 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | -179 | -71.8 | 165.8 | 0 | 0 | 0 | 112.5 | Y341 M345 M402 W403 Q409 N410 | Y341-L406 HydrophobicContact CE1-CD1 4.27Å; M345-L406 HydrophobicContact CB-CD1 3.62Å; M345-L406 HydrophobicContact CE-CD1 4.16Å; M345-L406 HydrophobicContact CG-CD1 3.98Å; M402-L406 WeakPolarHBondContact O-CB 3.44Å; M402-L406 WeakPolarHBondContact O-CG 3.38Å; M402-L406 PolarHBondContact O-N 3.01Å; W403-L406 PolarHBondContact O-N 2.93Å; L406-Q409 PolarHBondContact O-N 3.15Å; L406-N410 WeakPolarHBondContact O-CB 3.29Å; L406-N410 PolarHBondContact O-N 3.41Å |
| 407 | S | 89.3 | Confident | 84.6 | Confident | 27 Ų | 27 | 69 Ų | 69 | 19% | 0.189 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 176.4 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | W403 S405 Q409 N410 E411 | W403-S407 VanDerWaalsContact O-CB 3.29Å; W403-S407 WeakPolarHBondContact O-CB 3.37Å; W403-S407 PolarHBondContact O-N 3.48Å; S405-S407 PolarHBondContact O-N 2.83Å; S407-Q409 VanDerWaalsContact C-N 3.35Å; S407-Q409 PolarHBondContact O-N 3.14Å; S407-N410 PolarHBondContact O-N 3.11Å; S407-N410 VanDerWaalsContact O-N 3.14Å; S407-E411 PolarHBondContact O-N 3.16Å |
| 408 | K | 88.8 | Confident | 83 | Confident | 141 Ų | 141 | 64 Ų | 64 | 61% | 0.613 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.7 | -42 | 175 | -74.3 | 174.9 | -177.2 | 174.4 | 0 | 112.6 | Q404 S405 N410 E411 A412 | Q404-K408 VanDerWaalsContact O-CG 3.3Å; Q404-K408 WeakPolarHBondContact O-CG 3.43Å; Q404-K408 PolarHBondContact O-N 3.01Å; S405-K408 PolarHBondContact O-N 2.81Å; K408-N410 VanDerWaalsContact C-N 3.32Å; K408-N410 PolarHBondContact O-N 2.81Å; K408-E411 PolarHBondContact O-N 3.04Å; K408-A412 PolarHBondContact O-N 3.42Å |
| 409 | Q | 85.9 | Confident | 81.7 | Confident | 102 Ų | 102 | 69 Ų | 69 | 48% | 0.477 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 176.1 | -74.1 | 178.6 | 1.9 | 0 | 0 | 111.7 | S405 L406 S407 A412 | S405-Q409 WeakPolarHBondContact O-CG 3.29Å; S405-Q409 PolarHBondContact O-N 2.96Å; L406-Q409 PolarHBondContact O-N 3.15Å; S407-Q409 VanDerWaalsContact C-N 3.35Å; S407-Q409 PolarHBondContact O-N 3.14Å; Q409-A412 PolarHBondContact O-N 3.42Å |
| 410 | N | 84.1 | Confident | 80.8 | Confident | 2 Ų | 2 | 74.3 Ų | 74.3 | 1% | 0.011 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 176.8 | -178.2 | 65.7 | 0 | 0 | 0 | 111.8 | C349 Y355 V356 L361 L406 S407 K408 A412 K413 | C349-N410 HydrophobicContact CB-CB 4.47Å; Y355-N410 VanDerWaalsContact CD2-O 3.31Å; Y355-N410 WeakPolarHBondContact CD2-O 3.29Å; Y355-N410 WeakPolarHBondContact CE2-ND2 3.28Å; V356-N410 PolarHBondContact N-OD1 2.98Å; V356-N410 PolarHBondContact O-ND2 3.42Å; L361-N410 HydrophobicContact CD2-CB 3.91Å; L406-N410 WeakPolarHBondContact O-CB 3.29Å; L406-N410 PolarHBondContact O-N 3.41Å; S407-N410 PolarHBondContact O-N 3.11Å; S407-N410 VanDerWaalsContact O-N 3.14Å; K408-N410 VanDerWaalsContact C-N 3.32Å; K408-N410 PolarHBondContact O-N 2.81Å; N410-A412 VanDerWaalsContact C-N 3.29Å; N410-A412 PolarHBondContact O-N 2.86Å; N410-K413 WeakPolarHBondContact O-CB 3.32Å; N410-K413 PolarHBondContact O-N 2.87Å; N410-K413 VanDerWaalsContact O-N 3.1Å |
| 411 | E | 83.1 | Confident | 80.1 | Confident | 102 Ų | 102 | 71.1 Ų | 71.1 | 48% | 0.477 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.2 | -40.1 | 175 | -74.2 | -177.9 | 169.4 | 0 | 0 | 112.8 | S407 K408 K413 N414 L415 | S407-E411 PolarHBondContact O-N 3.16Å; K408-E411 PolarHBondContact O-N 3.04Å; E411-K413 PolarHBondContact O-N 3.21Å; E411-N414 WeakPolarHBondContact O-CB 3.35Å; E411-N414 PolarHBondContact O-N 3.18Å; E411-N414 VanDerWaalsContact O-N 3.08Å; E411-L415 PolarHBondContact O-N 2.96Å |
| 412 | A | 80.6 | Confident | 79.5 | Confident | 37 Ų | 37 | 67.3 Ų | 67.3 | 31% | 0.306 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58 | -34.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K408 Q409 N410 N414 L415 F416 | K408-A412 PolarHBondContact O-N 3.42Å; Q409-A412 PolarHBondContact O-N 3.42Å; N410-A412 VanDerWaalsContact C-N 3.29Å; N410-A412 PolarHBondContact O-N 2.86Å; A412-N414 VanDerWaalsContact C-N 3.3Å; A412-N414 PolarHBondContact O-N 3.49Å; A412-L415 PolarHBondContact O-N 3.19Å; A412-F416 VanDerWaalsContact O-CD2 3.24Å; A412-F416 WeakPolarHBondContact O-CD2 3.06Å; A412-F416 PolarHBondContact O-N 3.02Å; A412-F416 VanDerWaalsContact O-N 3.08Å |
| 413 | K | 75.2 | Confident | 79 | Confident | 40 Ų | 40 | 68.4 Ų | 68.4 | 17% | 0.174 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 177.3 | -61.7 | 175.7 | -179.4 | 179.1 | 0 | 112.5 | C349 G350 L353 N410 E411 S417 | C349-K413 PolarHBondContact O-NZ 3.46Å; G350-K413 PolarHBondContact O-NZ 3.45Å; L353-K413 WeakPolarHBondContact O-CD 3.38Å; L353-K413 WeakPolarHBondContact O-CE 3.46Å; L353-K413 PolarHBondContact O-NZ 2.68Å; N410-K413 WeakPolarHBondContact O-CB 3.32Å; N410-K413 PolarHBondContact O-N 2.87Å; N410-K413 VanDerWaalsContact O-N 3.1Å; E411-K413 PolarHBondContact O-N 3.21Å; K413-S417 WeakPolarHBondContact O-CB 3.18Å; K413-S417 PolarHBondContact O-N 3.46Å; K413-S417 VanDerWaalsContact O-N 3.08Å; K413-S417 PolarHBondContact O-OG 3.21Å |
| 414 | N | 70.9 | Confident | 78.6 | Confident | 55 Ų | 55 | 67.1 Ų | 67.1 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 176.4 | -169.9 | 10.1 | 0 | 0 | 0 | 110.7 | Y355 E411 A412 F416 S417 A418 | Y355-N414 HydrophobicContact CD1-CB 4.5Å; Y355-N414 HydrophobicContact CD2-CB 3.73Å; Y355-N414 HydrophobicContact CE2-CB 3.74Å; Y355-N414 HydrophobicContact CG-CB 4.1Å; E411-N414 WeakPolarHBondContact O-CB 3.35Å; E411-N414 PolarHBondContact O-N 3.18Å; E411-N414 VanDerWaalsContact O-N 3.08Å; A412-N414 VanDerWaalsContact C-N 3.3Å; A412-N414 PolarHBondContact O-N 3.49Å; N414-F416 PolarHBondContact O-N 3.38Å; N414-S417 PolarHBondContact O-N 2.85Å; N414-S417 PolarHBondContact O-OG 2.94Å; N414-A418 WeakPolarHBondContact O-CB 3.38Å; N414-A418 PolarHBondContact O-N 3.41Å |
| 415 | L | 61.3 | Low | 78.3 | Confident | 106 Ų | 106 | 62.1 Ų | 62.1 | 56% | 0.555 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.2 | -47 | 178.4 | -68.4 | 170.6 | 0 | 0 | 0 | 112.1 | E411 A412 S417 A418 F419 | E411-L415 PolarHBondContact O-N 2.96Å; A412-L415 PolarHBondContact O-N 3.19Å; L415-S417 VanDerWaalsContact C-N 3.35Å; L415-S417 PolarHBondContact O-N 2.95Å; L415-A418 WeakPolarHBondContact O-CB 3.35Å; L415-A418 PolarHBondContact O-N 3.45Å; L415-A418 VanDerWaalsContact O-N 3.13Å; L415-F419 VanDerWaalsContact O-CD2 3.22Å; L415-F419 WeakPolarHBondContact O-CD2 3.41Å; L415-F419 PolarHBondContact O-N 3.27Å; L415-F419 VanDerWaalsContact O-N 3.08Å |
| 416 | F | 59.3 | Low | 78.1 | Confident | 166 Ų | 166 | 65.1 Ų | 65.1 | 73% | 0.728 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.3 | -39.8 | 177.3 | -80.6 | -72.9 | 0 | 0 | 0 | 112.7 | A412 N414 A418 F419 R420 | A412-F416 VanDerWaalsContact O-CD2 3.24Å; A412-F416 WeakPolarHBondContact O-CD2 3.06Å; A412-F416 PolarHBondContact O-N 3.02Å; A412-F416 VanDerWaalsContact O-N 3.08Å; N414-F416 PolarHBondContact O-N 3.38Å; F416-A418 VanDerWaalsContact C-N 3.29Å; F416-A418 PolarHBondContact O-N 3.19Å; F416-F419 PolarHBondContact O-N 3.45Å; F416-R420 WeakPolarHBondContact O-CB 3.25Å; F416-R420 PolarHBondContact O-N 3.18Å; F416-R420 VanDerWaalsContact O-N 3.12Å |
| 417 | S | 58.9 | Low | 78.1 | Confident | 51 Ų | 51 | 68.2 Ų | 68.2 | 36% | 0.357 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.9 | -34.3 | 174 | 78 | 0 | 0 | 0 | 0 | 112.4 | K413 N414 L415 | K413-S417 WeakPolarHBondContact O-CB 3.18Å; K413-S417 PolarHBondContact O-N 3.46Å; K413-S417 VanDerWaalsContact O-N 3.08Å; K413-S417 PolarHBondContact O-OG 3.21Å; N414-S417 PolarHBondContact O-N 2.85Å; N414-S417 PolarHBondContact O-OG 2.94Å; L415-S417 VanDerWaalsContact C-N 3.35Å; L415-S417 PolarHBondContact O-N 2.95Å |
| 418 | A | 63.1 | Low | 78.1 | Confident | 26 Ų | 26 | 69.5 Ų | 69.5 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.1 | -29.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | N414 L415 F416 P422 W465 | N414-A418 WeakPolarHBondContact O-CB 3.38Å; N414-A418 PolarHBondContact O-N 3.41Å; L415-A418 WeakPolarHBondContact O-CB 3.35Å; L415-A418 PolarHBondContact O-N 3.45Å; L415-A418 VanDerWaalsContact O-N 3.13Å; F416-A418 VanDerWaalsContact C-N 3.29Å; F416-A418 PolarHBondContact O-N 3.19Å; A418-P422 VanDerWaalsContact O-CD 3.27Å; A418-P422 WeakPolarHBondContact O-CD 3.08Å; A418-P422 WeakPolarHBondContact O-CG 3.45Å; A418-W465 WeakPolarHBondContact O-CH2 3.39Å |
| 419 | F | 68.6 | Low | 78.1 | Confident | 147 Ų | 147 | 64 Ų | 64 | 65% | 0.645 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -93.4 | -18.5 | 178.4 | -74.8 | -73.3 | 0 | 0 | 0 | 114.7 | L415 F416 P422 A423 | L415-F419 VanDerWaalsContact O-CD2 3.22Å; L415-F419 WeakPolarHBondContact O-CD2 3.41Å; L415-F419 PolarHBondContact O-N 3.27Å; L415-F419 VanDerWaalsContact O-N 3.08Å; F416-F419 PolarHBondContact O-N 3.45Å; F419-P422 WeakPolarHBondContact O-CD 3.36Å; F419-A423 VanDerWaalsContact O-CB 3.27Å; F419-A423 WeakPolarHBondContact O-CB 3.31Å; F419-A423 PolarHBondContact O-N 3.1Å; F419-A423 VanDerWaalsContact O-N 3.15Å |
| 420 | R | 74.7 | Confident | 78.3 | Confident | 111 Ų | 111 | 61.6 Ų | 61.6 | 42% | 0.419 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60 | -54.5 | -178.7 | -176.3 | 178.8 | 176.5 | -178 | -1.4 | 112.3 | F416 A423 V424 L489 | F416-R420 WeakPolarHBondContact O-CB 3.25Å; F416-R420 PolarHBondContact O-N 3.18Å; F416-R420 VanDerWaalsContact O-N 3.12Å; R420-A423 PolarHBondContact O-N 3.32Å; R420-V424 WeakPolarHBondContact O-CG2 3.45Å; R420-V424 PolarHBondContact O-N 3.48Å; R420-L489 HydrophobicContact CG-CD2 4.3Å; R420-L489 VanDerWaalsContact NE-CD2 3.35Å |
| 421 | T | 80.3 | Confident | 78.5 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 4% | 0.037 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.9 | -45.4 | -175 | -52 | 0 | 0 | 0 | 0 | 112.9 | A423 V424 L425 W465 I481 D482 A485 | T421-A423 VanDerWaalsContact C-N 3.33Å; T421-A423 PolarHBondContact O-N 3.4Å; T421-V424 PolarHBondContact O-N 3.5Å; T421-L425 HydrophobicContact CG2-CD1 4.05Å; T421-L425 HydrophobicContact CG2-CG 4.45Å; T421-L425 WeakPolarHBondContact O-CG 3.32Å; T421-L425 PolarHBondContact O-N 3.48Å; T421-W465 HydrophobicContact CG2-CG 4.41Å; T421-I481 HydrophobicContact CG2-CG2 3.95Å; T421-D482 WeakPolarHBondContact CB-OD1 3.32Å; T421-D482 VanDerWaalsContact CG2-OD1 3.27Å; T421-D482 WeakPolarHBondContact CG2-OD1 3.39Å; T421-D482 PolarHBondContact OG1-OD1 3.07Å; T421-A485 HydrophobicContact CG2-CB 3.83Å |
| 422 | P | 82.4 | Confident | 78.8 | Confident | 23 Ų | 23 | 63.4 Ų | 63.4 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 173.4 | -27.1 | 36.7 | 0 | 0 | 0 | 113.4 | A418 F419 F426 M462 W465 | A418-P422 VanDerWaalsContact O-CD 3.27Å; A418-P422 WeakPolarHBondContact O-CD 3.08Å; A418-P422 WeakPolarHBondContact O-CG 3.45Å; F419-P422 WeakPolarHBondContact O-CD 3.36Å; P422-F426 WeakPolarHBondContact O-CB 3.47Å; P422-F426 PolarHBondContact O-N 3.39Å; P422-M462 HydrophobicContact CB-CE 4.36Å; P422-W465 HydrophobicContact CG-CE3 3.89Å; P422-W465 HydrophobicContact CG-CH2 3.28Å; P422-W465 HydrophobicContact CG-CZ2 3.94Å; P422-W465 HydrophobicContact CG-CZ3 3.26Å |
| 423 | A | 84.1 | Confident | 79.4 | Confident | 54 Ų | 54 | 69.2 Ų | 69.2 | 45% | 0.446 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.8 | -43.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | F419 R420 T421 F426 V427 | F419-A423 VanDerWaalsContact O-CB 3.27Å; F419-A423 WeakPolarHBondContact O-CB 3.31Å; F419-A423 PolarHBondContact O-N 3.1Å; F419-A423 VanDerWaalsContact O-N 3.15Å; R420-A423 PolarHBondContact O-N 3.32Å; T421-A423 VanDerWaalsContact C-N 3.33Å; T421-A423 PolarHBondContact O-N 3.4Å; A423-F426 PolarHBondContact O-N 2.91Å; A423-V427 WeakPolarHBondContact O-CG2 3.45Å; A423-V427 PolarHBondContact O-N 2.87Å |
| 424 | V | 85.9 | Confident | 80.1 | Confident | 19 Ų | 19 | 72.3 Ų | 72.3 | 12% | 0.115 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64 | -47 | 177.3 | 174.2 | 0 | 0 | 0 | 0 | 111 | R420 T421 F426 V427 L428 A485 V488 L489 | R420-V424 WeakPolarHBondContact O-CG2 3.45Å; R420-V424 PolarHBondContact O-N 3.48Å; T421-V424 PolarHBondContact O-N 3.5Å; V424-F426 VanDerWaalsContact C-N 3.33Å; V424-F426 PolarHBondContact O-N 3.16Å; V424-V427 PolarHBondContact O-N 2.7Å; V424-L428 WeakPolarHBondContact O-CB 3.5Å; V424-L428 PolarHBondContact O-N 2.77Å; V424-A485 HydrophobicContact CB-CB 4.21Å; V424-A485 HydrophobicContact CG1-CB 4.06Å; V424-V488 HydrophobicContact CG1-CB 4.4Å; V424-V488 HydrophobicContact CG1-CG1 4.23Å; V424-L489 HydrophobicContact CG2-CB 4.14Å; V424-L489 HydrophobicContact CG2-CD1 4.1Å; V424-L489 HydrophobicContact CG2-CD2 4.35Å; V424-L489 HydrophobicContact CG2-CG 4.43Å |
| 425 | L | 86.3 | Confident | 81 | Confident | 13 Ų | 13 | 74.7 Ų | 74.7 | 7% | 0.068 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.2 | -68.8 | 174.5 | 0 | 0 | 0 | 111 | T421 L428 M429 L458 M462 I481 | T421-L425 HydrophobicContact CG2-CD1 4.05Å; T421-L425 HydrophobicContact CG2-CG 4.45Å; T421-L425 WeakPolarHBondContact O-CG 3.32Å; T421-L425 PolarHBondContact O-N 3.48Å; L425-L428 PolarHBondContact O-N 2.84Å; L425-M429 VanDerWaalsContact O-CG 3.24Å; L425-M429 WeakPolarHBondContact O-CG 3.5Å; L425-M429 PolarHBondContact O-N 2.91Å; L425-L458 HydrophobicContact CD2-CD2 3.81Å; L425-M462 HydrophobicContact CD1-CB 4.28Å; L425-I481 HydrophobicContact CD1-CG2 4.14Å |
| 426 | F | 88.4 | Confident | 82.4 | Confident | 121 Ų | 121 | 70 Ų | 70 | 53% | 0.531 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 179.2 | -175.8 | -99.1 | 0 | 0 | 0 | 112.8 | P422 A423 V424 L428 M429 C430 | P422-F426 WeakPolarHBondContact O-CB 3.47Å; P422-F426 PolarHBondContact O-N 3.39Å; A423-F426 PolarHBondContact O-N 2.91Å; V424-F426 VanDerWaalsContact C-N 3.33Å; V424-F426 PolarHBondContact O-N 3.16Å; F426-L428 VanDerWaalsContact C-N 3.33Å; F426-L428 PolarHBondContact O-N 2.93Å; F426-M429 WeakPolarHBondContact O-CB 3.32Å; F426-M429 PolarHBondContact O-N 3.11Å; F426-C430 PolarHBondContact O-N 3.15Å; F426-C430 PolarHBondContact O-SG 3.04Å; F426-C430 VanDerWaalsContact O-SG 3.4Å |
| 427 | V | 89.3 | Confident | 83.8 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 177.2 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | A423 V424 M429 C430 L431 | A423-V427 WeakPolarHBondContact O-CG2 3.45Å; A423-V427 PolarHBondContact O-N 2.87Å; V424-V427 PolarHBondContact O-N 2.7Å; V427-M429 VanDerWaalsContact C-N 3.32Å; V427-M429 PolarHBondContact O-N 3.36Å; V427-C430 PolarHBondContact O-N 3.19Å; V427-L431 HydrophobicContact CG1-CD1 4.18Å; V427-L431 HydrophobicContact CG1-CG 4.5Å; V427-L431 WeakPolarHBondContact O-CG 3.29Å; V427-L431 PolarHBondContact O-N 3.45Å |
| 428 | L | 88.2 | Confident | 85.3 | Confident | 54 Ų | 54 | 65.6 Ų | 65.6 | 28% | 0.283 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.9 | -38.6 | 177.7 | -169.1 | 67 | 0 | 0 | 0 | 111.7 | V424 L425 F426 L431 L432 L458 | V424-L428 WeakPolarHBondContact O-CB 3.5Å; V424-L428 PolarHBondContact O-N 2.77Å; L425-L428 PolarHBondContact O-N 2.84Å; F426-L428 VanDerWaalsContact C-N 3.33Å; F426-L428 PolarHBondContact O-N 2.93Å; L428-L431 PolarHBondContact O-N 3Å; L428-L432 HydrophobicContact CG-CD1 4.38Å; L428-L432 PolarHBondContact O-N 2.84Å; L428-L458 HydrophobicContact CB-CD1 4.17Å; L428-L458 HydrophobicContact CD2-CD1 3.55Å; L428-L458 HydrophobicContact CD2-CD2 3.77Å; L428-L458 HydrophobicContact CD2-CG 4.31Å; L428-L458 HydrophobicContact CG-CD1 3.67Å |
| 429 | M | 89.3 | Confident | 86.5 | Confident | 26 Ų | 26 | 65.8 Ų | 65.8 | 13% | 0.128 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 172.8 | -71.6 | 178.7 | 85.7 | 0 | 0 | 111.9 | L425 F426 V427 L431 L432 Y433 L455 L458 M459 M462 | L425-M429 VanDerWaalsContact O-CG 3.24Å; L425-M429 WeakPolarHBondContact O-CG 3.5Å; L425-M429 PolarHBondContact O-N 2.91Å; F426-M429 WeakPolarHBondContact O-CB 3.32Å; F426-M429 PolarHBondContact O-N 3.11Å; V427-M429 VanDerWaalsContact C-N 3.32Å; V427-M429 PolarHBondContact O-N 3.36Å; M429-L431 VanDerWaalsContact C-N 3.34Å; M429-L431 PolarHBondContact O-N 2.81Å; M429-L432 PolarHBondContact O-N 3.35Å; M429-Y433 WeakPolarHBondContact O-CB 3.49Å; M429-Y433 PolarHBondContact O-N 2.79Å; M429-L455 HydrophobicContact CB-CD1 3.6Å; M429-L455 HydrophobicContact CE-CD1 3.99Å; M429-L455 HydrophobicContact CE-CG 4.44Å; M429-L455 HydrophobicContact CG-CD1 3.89Å; M429-L455 VanDerWaalsContact O-CD1 3.3Å; M429-L455 WeakPolarHBondContact O-CD1 3.41Å; M429-L458 HydrophobicContact CG-CB 3.68Å; M429-L458 HydrophobicContact CG-CD1 4.11Å; M429-L458 HydrophobicContact SD-CB 4.23Å; M429-M459 HydrophobicContact CE-CB 3.43Å; M429-M459 VanDerWaalsContact CE-CB 3.43Å; M429-M459 HydrophobicContact CE-CG 3.79Å; M429-M462 HydrophobicContact SD-SD 4.32Å |
| 430 | C | 89.9 | Confident | 87.5 | Confident | 51 Ų | 51 | 64.1 Ų | 64.1 | 35% | 0.345 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 175.6 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | F426 V427 Y433 I434 | F426-C430 PolarHBondContact O-N 3.15Å; F426-C430 PolarHBondContact O-SG 3.04Å; F426-C430 VanDerWaalsContact O-SG 3.4Å; V427-C430 PolarHBondContact O-N 3.19Å; C430-Y433 PolarHBondContact O-N 2.97Å; C430-I434 VanDerWaalsContact O-CG1 3.3Å; C430-I434 WeakPolarHBondContact O-CG1 3.33Å; C430-I434 PolarHBondContact O-N 2.89Å |
| 431 | L | 89.7 | Confident | 88.1 | Confident | 100 Ų | 100 | 67.8 Ų | 67.8 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 178.4 | -73.9 | 172.3 | 0 | 0 | 0 | 112 | V427 L428 M429 Y433 I434 M435 | V427-L431 HydrophobicContact CG1-CD1 4.18Å; V427-L431 HydrophobicContact CG1-CG 4.5Å; V427-L431 WeakPolarHBondContact O-CG 3.29Å; V427-L431 PolarHBondContact O-N 3.45Å; L428-L431 PolarHBondContact O-N 3Å; M429-L431 VanDerWaalsContact C-N 3.34Å; M429-L431 PolarHBondContact O-N 2.81Å; L431-Y433 VanDerWaalsContact C-N 3.32Å; L431-Y433 PolarHBondContact O-N 2.85Å; L431-I434 PolarHBondContact O-N 2.91Å; L431-M435 WeakPolarHBondContact O-CB 3.22Å; L431-M435 VanDerWaalsContact O-CG 3.25Å; L431-M435 WeakPolarHBondContact O-CG 3.42Å; L431-M435 PolarHBondContact O-N 2.97Å |
| 432 | L | 89.4 | Confident | 88.6 | Confident | 42 Ų | 42 | 72.2 Ų | 72.2 | 22% | 0.22 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 177.8 | -78.6 | 166.2 | 0 | 0 | 0 | 112.3 | L428 M429 M435 S436 C451 L458 | L428-L432 HydrophobicContact CG-CD1 4.38Å; L428-L432 PolarHBondContact O-N 2.84Å; M429-L432 PolarHBondContact O-N 3.35Å; L432-M435 PolarHBondContact O-N 2.85Å; L432-S436 WeakPolarHBondContact O-CB 3.38Å; L432-S436 PolarHBondContact O-N 2.75Å; L432-C451 HydrophobicContact CD2-CB 4.32Å; L432-L458 HydrophobicContact CD1-CD1 3.41Å; L432-L458 VanDerWaalsContact CD1-CD1 3.41Å |
| 433 | Y | 91.3 | Very high | 88.9 | Confident | 159 Ų | 159 | 73.9 Ų | 73.9 | 62% | 0.624 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.4 | -47 | 176 | -179.9 | -103.2 | 0 | 0 | 0 | 112.1 | M429 C430 L431 S436 G437 L455 | M429-Y433 WeakPolarHBondContact O-CB 3.49Å; M429-Y433 PolarHBondContact O-N 2.79Å; C430-Y433 PolarHBondContact O-N 2.97Å; L431-Y433 VanDerWaalsContact C-N 3.32Å; L431-Y433 PolarHBondContact O-N 2.85Å; Y433-S436 PolarHBondContact O-N 2.78Å; Y433-G437 PolarHBondContact O-N 2.91Å; Y433-L455 HydrophobicContact CD2-CD2 4.29Å |
| 434 | I | 91.1 | Very high | 89.1 | Confident | 106 Ų | 106 | 74.9 Ų | 74.9 | 54% | 0.544 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 176.8 | -65.9 | 166.4 | 0 | 0 | 0 | 110.4 | C430 L431 S436 G437 V438 | C430-I434 VanDerWaalsContact O-CG1 3.3Å; C430-I434 WeakPolarHBondContact O-CG1 3.33Å; C430-I434 PolarHBondContact O-N 2.89Å; L431-I434 PolarHBondContact O-N 2.91Å; I434-S436 PolarHBondContact O-N 3.42Å; I434-G437 PolarHBondContact O-N 3.43Å; I434-V438 WeakPolarHBondContact O-CG2 3.34Å; I434-V438 PolarHBondContact O-N 3.29Å |
| 435 | M | 89.1 | Confident | 89.1 | Confident | 104 Ų | 104 | 76.8 Ų | 76.8 | 51% | 0.512 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 178.2 | -75.9 | -64.3 | -64.5 | 0 | 0 | 112.3 | L431 L432 V438 L439 | L431-M435 WeakPolarHBondContact O-CB 3.22Å; L431-M435 VanDerWaalsContact O-CG 3.25Å; L431-M435 WeakPolarHBondContact O-CG 3.42Å; L431-M435 PolarHBondContact O-N 2.97Å; L432-M435 PolarHBondContact O-N 2.85Å; M435-V438 PolarHBondContact O-N 3.46Å; M435-L439 WeakPolarHBondContact O-CB 3.42Å; M435-L439 VanDerWaalsContact O-CG 3.27Å; M435-L439 WeakPolarHBondContact O-CG 3.33Å; M435-L439 PolarHBondContact O-N 3.1Å |
| 436 | S | 90.9 | Very high | 89.1 | Confident | 9 Ų | 9 | 81 Ų | 81 | 6% | 0.063 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58.7 | -47 | 174.4 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | L432 Y433 I434 V438 L439 L440 A448 D452 | L432-S436 WeakPolarHBondContact O-CB 3.38Å; L432-S436 PolarHBondContact O-N 2.75Å; Y433-S436 PolarHBondContact O-N 2.78Å; I434-S436 PolarHBondContact O-N 3.42Å; S436-V438 PolarHBondContact O-N 3.17Å; S436-L439 PolarHBondContact O-N 3.49Å; S436-L440 WeakPolarHBondContact O-CB 3.48Å; S436-L440 PolarHBondContact O-N 2.9Å; S436-A448 PolarHBondContact OG-O 2.84Å; S436-D452 VanDerWaalsContact CB-OD1 3.28Å; S436-D452 WeakPolarHBondContact CB-OD1 3.24Å; S436-D452 VanDerWaalsContact OG-CG 3.3Å; S436-D452 PolarHBondContact OG-OD1 2.99Å; S436-D452 PolarHBondContact OG-OD2 2.98Å |
| 437 | G | 88.1 | Confident | 89 | Confident | 43 Ų | 43 | 81.1 Ų | 81.1 | 44% | 0.443 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y433 I434 F441 | Y433-G437 PolarHBondContact O-N 2.91Å; I434-G437 PolarHBondContact O-N 3.43Å; G437-F441 WeakPolarHBondContact O-CB 3.42Å; G437-F441 PolarHBondContact O-N 3.25Å |
| 438 | V | 90.3 | Very high | 88.8 | Confident | 80 Ų | 80 | 77.3 Ų | 77.3 | 49% | 0.485 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 175.8 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | I434 M435 S436 L440 F441 V442 | I434-V438 WeakPolarHBondContact O-CG2 3.34Å; I434-V438 PolarHBondContact O-N 3.29Å; M435-V438 PolarHBondContact O-N 3.46Å; S436-V438 PolarHBondContact O-N 3.17Å; V438-L440 VanDerWaalsContact C-N 3.31Å; V438-L440 PolarHBondContact O-N 2.99Å; V438-F441 WeakPolarHBondContact O-CB 3.48Å; V438-F441 PolarHBondContact O-N 3.47Å; V438-V442 WeakPolarHBondContact O-CG2 3.21Å; V438-V442 PolarHBondContact O-N 3.14Å |
| 439 | L | 89.6 | Confident | 88.8 | Confident | 31 Ų | 31 | 80.1 Ų | 80.1 | 16% | 0.162 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 178.9 | -72.8 | 166.7 | 0 | 0 | 0 | 111.9 | M435 S436 V442 G443 L444 F447 A448 | M435-L439 WeakPolarHBondContact O-CB 3.42Å; M435-L439 VanDerWaalsContact O-CG 3.27Å; M435-L439 WeakPolarHBondContact O-CG 3.33Å; M435-L439 PolarHBondContact O-N 3.1Å; S436-L439 PolarHBondContact O-N 3.49Å; L439-V442 PolarHBondContact O-N 3.08Å; L439-G443 PolarHBondContact O-N 3.46Å; L439-L444 HydrophobicContact CB-CB 4.49Å; L439-L444 HydrophobicContact CD2-CB 4.24Å; L439-L444 HydrophobicContact CD2-CD1 3.89Å; L439-L444 PolarHBondContact O-N 2.89Å; L439-F447 HydrophobicContact CD1-CB 4Å; L439-F447 HydrophobicContact CD2-CB 4.26Å; L439-A448 HydrophobicContact CB-CB 4.09Å |
| 440 | L | 88.6 | Confident | 88.8 | Confident | 112 Ų | 112 | 83.7 Ų | 83.7 | 59% | 0.586 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66 | -40.4 | 175.4 | -163.8 | 72 | 0 | 0 | 0 | 111.5 | S436 V438 V442 G443 A448 | S436-L440 WeakPolarHBondContact O-CB 3.48Å; S436-L440 PolarHBondContact O-N 2.9Å; V438-L440 VanDerWaalsContact C-N 3.31Å; V438-L440 PolarHBondContact O-N 2.99Å; L440-V442 VanDerWaalsContact C-N 3.31Å; L440-V442 PolarHBondContact O-N 3.39Å; L440-G443 PolarHBondContact O-N 2.92Å; L440-G443 VanDerWaalsContact O-N 3.1Å; L440-A448 HydrophobicContact CB-CB 4.33Å; L440-A448 HydrophobicContact CD1-CB 4.34Å |
| 441 | F | 88.8 | Confident | 88.7 | Confident | 188 Ų | 188 | 82.3 Ų | 82.3 | 83% | 0.825 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.3 | -36.6 | 175.4 | -179 | -99.2 | 0 | 0 | 0 | 112.7 | G437 V438 G443 | G437-F441 WeakPolarHBondContact O-CB 3.42Å; G437-F441 PolarHBondContact O-N 3.25Å; V438-F441 WeakPolarHBondContact O-CB 3.48Å; V438-F441 PolarHBondContact O-N 3.47Å; F441-G443 PolarHBondContact O-N 3.48Å |
| 442 | V | 90.1 | Very high | 88.6 | Confident | 98 Ų | 98 | 81 Ų | 81 | 59% | 0.594 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -9 | 177 | 178.2 | 0 | 0 | 0 | 0 | 112.4 | V438 L439 L440 L444 | V438-V442 WeakPolarHBondContact O-CG2 3.21Å; V438-V442 PolarHBondContact O-N 3.14Å; L439-V442 PolarHBondContact O-N 3.08Å; L440-V442 VanDerWaalsContact C-N 3.31Å; L440-V442 PolarHBondContact O-N 3.39Å; V442-L444 HydrophobicContact CG1-CD1 4.13Å; V442-L444 HydrophobicContact CG1-CG 4.27Å |
| 443 | G | 88.1 | Confident | 88.7 | Confident | 59 Ų | 59 | 82.8 Ų | 82.8 | 61% | 0.608 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | 13.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L439 L440 F441 A445 | L439-G443 PolarHBondContact O-N 3.46Å; L440-G443 PolarHBondContact O-N 2.92Å; L440-G443 VanDerWaalsContact O-N 3.1Å; F441-G443 PolarHBondContact O-N 3.48Å; G443-A445 VanDerWaalsContact C-N 3.33Å; G443-A445 PolarHBondContact O-N 3.27Å |
| 444 | L | 89.6 | Confident | 88.6 | Confident | 74 Ų | 74 | 76.2 Ų | 76.2 | 39% | 0.387 | 45% | 0.447 | S | S | . | . | trans | -90.5 | 61.9 | 178.3 | -67.9 | 172.8 | 0 | 0 | 0 | 111.3 | L439 V442 T446 F447 A448 | L439-L444 HydrophobicContact CB-CB 4.49Å; L439-L444 HydrophobicContact CD2-CB 4.24Å; L439-L444 HydrophobicContact CD2-CD1 3.89Å; L439-L444 PolarHBondContact O-N 2.89Å; V442-L444 HydrophobicContact CG1-CD1 4.13Å; V442-L444 HydrophobicContact CG1-CG 4.27Å; L444-T446 VanDerWaalsContact C-N 3.28Å; L444-T446 PolarHBondContact O-N 3.45Å; L444-F447 HydrophobicContact CB-CB 4.45Å; L444-F447 HydrophobicContact CB-CD2 4.18Å; L444-F447 HydrophobicContact CD2-CD2 4.28Å; L444-F447 PolarHBondContact O-N 3.11Å; L444-F447 VanDerWaalsContact O-N 3.15Å; L444-A448 PolarHBondContact O-N 3.11Å; L444-A448 VanDerWaalsContact O-N 3.13Å | ||
| 445 | A | 86.1 | Confident | 88.6 | Confident | 60 Ų | 60 | 73 Ų | 73 | 50% | 0.496 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.8 | -32.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G443 A448 L449 | G443-A445 VanDerWaalsContact C-N 3.33Å; G443-A445 PolarHBondContact O-N 3.27Å; A445-A448 PolarHBondContact O-N 3.47Å; A445-L449 PolarHBondContact O-N 3.27Å; A445-L449 VanDerWaalsContact O-N 3.08Å |
| 446 | T | 86.1 | Confident | 88.6 | Confident | 101 Ų | 101 | 69.6 Ų | 69.6 | 62% | 0.62 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -67.3 | -37.4 | 178.1 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | L444 V450 | L444-T446 VanDerWaalsContact C-N 3.28Å; L444-T446 PolarHBondContact O-N 3.45Å; T446-V450 WeakPolarHBondContact O-CG2 2.93Å; T446-V450 PolarHBondContact O-N 2.95Å |
| 447 | F | 85.4 | Confident | 88.6 | Confident | 124 Ų | 124 | 75.3 Ų | 75.3 | 54% | 0.544 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -76.5 | -35.6 | 177.6 | -69.8 | -81 | 0 | 0 | 0 | 111.8 | L439 L444 L449 V450 C451 | L439-F447 HydrophobicContact CD1-CB 4Å; L439-F447 HydrophobicContact CD2-CB 4.26Å; L444-F447 HydrophobicContact CB-CB 4.45Å; L444-F447 HydrophobicContact CB-CD2 4.18Å; L444-F447 HydrophobicContact CD2-CD2 4.28Å; L444-F447 PolarHBondContact O-N 3.11Å; L444-F447 VanDerWaalsContact O-N 3.15Å; F447-L449 VanDerWaalsContact C-N 3.33Å; F447-L449 PolarHBondContact O-N 2.97Å; F447-V450 PolarHBondContact O-N 3.06Å; F447-C451 PolarHBondContact O-N 2.88Å; F447-C451 VanDerWaalsContact O-N 3.16Å |
| 448 | A | 85.4 | Confident | 88.7 | Confident | 2 Ų | 2 | 74.7 Ų | 74.7 | 2% | 0.017 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S436 L439 L440 L444 A445 V450 C451 D452 | S436-A448 PolarHBondContact OG-O 2.84Å; L439-A448 HydrophobicContact CB-CB 4.09Å; L440-A448 HydrophobicContact CB-CB 4.33Å; L440-A448 HydrophobicContact CD1-CB 4.34Å; L444-A448 PolarHBondContact O-N 3.11Å; L444-A448 VanDerWaalsContact O-N 3.13Å; A445-A448 PolarHBondContact O-N 3.47Å; A448-V450 VanDerWaalsContact C-N 3.29Å; A448-V450 PolarHBondContact O-N 3.36Å; A448-C451 WeakPolarHBondContact O-CB 3.36Å; A448-C451 PolarHBondContact O-N 3.17Å; A448-C451 VanDerWaalsContact O-N 3.09Å; A448-D452 PolarHBondContact O-N 3.35Å |
| 449 | L | 88.5 | Confident | 88.7 | Confident | 113 Ų | 113 | 75.8 Ų | 75.8 | 59% | 0.592 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -58.7 | -39 | 176.3 | -173.2 | 71.3 | 0 | 0 | 0 | 112.7 | A445 F447 D452 C453 | A445-L449 PolarHBondContact O-N 3.27Å; A445-L449 VanDerWaalsContact O-N 3.08Å; F447-L449 VanDerWaalsContact C-N 3.33Å; F447-L449 PolarHBondContact O-N 2.97Å; L449-D452 PolarHBondContact O-N 3.46Å; L449-C453 PolarHBondContact O-N 2.97Å; L449-C453 PolarHBondContact O-SG 3.42Å; L449-C453 VanDerWaalsContact O-SG 3.39Å |
| 450 | V | 89.8 | Confident | 88.8 | Confident | 101 Ų | 101 | 78.2 Ų | 78.2 | 61% | 0.612 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.3 | -41.4 | 176.3 | 174.6 | 0 | 0 | 0 | 0 | 111 | T446 F447 A448 C453 G454 | T446-V450 WeakPolarHBondContact O-CG2 2.93Å; T446-V450 PolarHBondContact O-N 2.95Å; F447-V450 PolarHBondContact O-N 3.06Å; A448-V450 VanDerWaalsContact C-N 3.29Å; A448-V450 PolarHBondContact O-N 3.36Å; V450-C453 PolarHBondContact O-N 3.19Å; V450-G454 PolarHBondContact O-N 3.43Å |
| 451 | C | 87 | Confident | 88.8 | Confident | 22 Ų | 22 | 74.1 Ų | 74.1 | 15% | 0.149 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 174.5 | -69.7 | 0 | 0 | 0 | 0 | 112.1 | L432 F447 A448 G454 L455 | L432-C451 HydrophobicContact CD2-CB 4.32Å; F447-C451 PolarHBondContact O-N 2.88Å; F447-C451 VanDerWaalsContact O-N 3.16Å; A448-C451 WeakPolarHBondContact O-CB 3.36Å; A448-C451 PolarHBondContact O-N 3.17Å; A448-C451 VanDerWaalsContact O-N 3.09Å; C451-G454 PolarHBondContact O-N 3.46Å; C451-L455 PolarHBondContact O-N 3.18Å |
| 452 | D | 88.3 | Confident | 88.7 | Confident | 73 Ų | 73 | 67.9 Ų | 67.9 | 39% | 0.39 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 177.5 | -68 | -20.1 | 0 | 0 | 0 | 112.3 | S436 A448 L449 G454 L455 G456 | S436-D452 VanDerWaalsContact CB-OD1 3.28Å; S436-D452 WeakPolarHBondContact CB-OD1 3.24Å; S436-D452 VanDerWaalsContact OG-CG 3.3Å; S436-D452 PolarHBondContact OG-OD1 2.99Å; S436-D452 PolarHBondContact OG-OD2 2.98Å; A448-D452 PolarHBondContact O-N 3.35Å; L449-D452 PolarHBondContact O-N 3.46Å; D452-G454 VanDerWaalsContact C-N 3.34Å; D452-L455 WeakPolarHBondContact O-CB 3.45Å; D452-L455 PolarHBondContact O-N 3.27Å; D452-G456 PolarHBondContact O-N 3.22Å |
| 453 | C | 91.1 | Very high | 88.7 | Confident | 79 Ų | 79 | 68.6 Ų | 68.6 | 53% | 0.534 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 170.8 | -73.4 | 0 | 0 | 0 | 0 | 111.7 | L449 V450 G456 L457 | L449-C453 PolarHBondContact O-N 2.97Å; L449-C453 PolarHBondContact O-SG 3.42Å; L449-C453 VanDerWaalsContact O-SG 3.39Å; V450-C453 PolarHBondContact O-N 3.19Å; C453-G456 PolarHBondContact O-N 3.16Å; C453-L457 PolarHBondContact O-N 2.81Å |
| 454 | G | 89.3 | Confident | 88.7 | Confident | 22 Ų | 22 | 68.5 Ų | 68.5 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V450 C451 D452 L457 L458 | V450-G454 PolarHBondContact O-N 3.43Å; C451-G454 PolarHBondContact O-N 3.46Å; D452-G454 VanDerWaalsContact C-N 3.34Å; G454-L457 PolarHBondContact O-N 3.39Å; G454-L458 WeakPolarHBondContact O-CG 3.31Å; G454-L458 PolarHBondContact O-N 3.38Å |
| 455 | L | 90.3 | Very high | 88.5 | Confident | 38 Ų | 38 | 66 Ų | 66 | 20% | 0.199 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 174.3 | -175.4 | 72.1 | 0 | 0 | 0 | 111.5 | M429 Y433 C451 D452 L457 L458 M459 | M429-L455 HydrophobicContact CB-CD1 3.6Å; M429-L455 HydrophobicContact CE-CD1 3.99Å; M429-L455 HydrophobicContact CE-CG 4.44Å; M429-L455 HydrophobicContact CG-CD1 3.89Å; M429-L455 VanDerWaalsContact O-CD1 3.3Å; M429-L455 WeakPolarHBondContact O-CD1 3.41Å; Y433-L455 HydrophobicContact CD2-CD2 4.29Å; C451-L455 PolarHBondContact O-N 3.18Å; D452-L455 WeakPolarHBondContact O-CB 3.45Å; D452-L455 PolarHBondContact O-N 3.27Å; L455-L457 PolarHBondContact O-N 3.45Å; L455-L458 PolarHBondContact O-N 3Å; L455-M459 PolarHBondContact O-N 2.91Å |
| 456 | G | 89.6 | Confident | 88.3 | Confident | 32 Ų | 32 | 65.5 Ų | 65.5 | 33% | 0.33 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D452 C453 M459 V460 | D452-G456 PolarHBondContact O-N 3.22Å; C453-G456 PolarHBondContact O-N 3.16Å; G456-M459 PolarHBondContact O-N 3.16Å; G456-V460 WeakPolarHBondContact O-CG2 3.33Å; G456-V460 PolarHBondContact O-N 3.32Å |
| 457 | L | 91.1 | Very high | 88.1 | Confident | 130 Ų | 130 | 66.5 Ų | 66.5 | 68% | 0.681 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 176.5 | -74 | 170.6 | 0 | 0 | 0 | 112.5 | C453 G454 L455 M459 V460 A461 | C453-L457 PolarHBondContact O-N 2.81Å; G454-L457 PolarHBondContact O-N 3.39Å; L455-L457 PolarHBondContact O-N 3.45Å; L457-M459 VanDerWaalsContact C-N 3.34Å; L457-V460 PolarHBondContact O-N 3.15Å; L457-A461 WeakPolarHBondContact O-CB 3.39Å; L457-A461 PolarHBondContact O-N 3.3Å |
| 458 | L | 90.3 | Very high | 87.9 | Confident | 29 Ų | 29 | 61.2 Ų | 61.2 | 15% | 0.152 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67 | -35.7 | 176.7 | -70.6 | 170.6 | 0 | 0 | 0 | 112.5 | L425 L428 M429 L432 G454 L455 A461 M462 | L425-L458 HydrophobicContact CD2-CD2 3.81Å; L428-L458 HydrophobicContact CB-CD1 4.17Å; L428-L458 HydrophobicContact CD2-CD1 3.55Å; L428-L458 HydrophobicContact CD2-CD2 3.77Å; L428-L458 HydrophobicContact CD2-CG 4.31Å; L428-L458 HydrophobicContact CG-CD1 3.67Å; M429-L458 HydrophobicContact CG-CB 3.68Å; M429-L458 HydrophobicContact CG-CD1 4.11Å; M429-L458 HydrophobicContact SD-CB 4.23Å; L432-L458 HydrophobicContact CD1-CD1 3.41Å; L432-L458 VanDerWaalsContact CD1-CD1 3.41Å; G454-L458 WeakPolarHBondContact O-CG 3.31Å; G454-L458 PolarHBondContact O-N 3.38Å; L455-L458 PolarHBondContact O-N 3Å; L458-A461 PolarHBondContact O-N 3.45Å; L458-M462 WeakPolarHBondContact O-CB 3.45Å; L458-M462 PolarHBondContact O-N 2.92Å |
| 459 | M | 90.3 | Very high | 87.4 | Confident | 103 Ų | 103 | 66.7 Ų | 66.7 | 51% | 0.507 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 174.9 | -161.9 | 172.9 | 74.7 | 0 | 0 | 111.3 | M429 L455 G456 L457 M462 L463 | M429-M459 HydrophobicContact CE-CB 3.43Å; M429-M459 VanDerWaalsContact CE-CB 3.43Å; M429-M459 HydrophobicContact CE-CG 3.79Å; L455-M459 PolarHBondContact O-N 2.91Å; G456-M459 PolarHBondContact O-N 3.16Å; L457-M459 VanDerWaalsContact C-N 3.34Å; M459-M462 PolarHBondContact O-N 2.9Å; M459-L463 HydrophobicContact CG-CD1 4.42Å; M459-L463 WeakPolarHBondContact O-CG 3.39Å; M459-L463 PolarHBondContact O-N 3.21Å |
| 460 | V | 90.8 | Very high | 86.6 | Confident | 83 Ų | 83 | 71.3 Ų | 71.3 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 174.5 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | G456 L457 M462 L463 V464 | G456-V460 WeakPolarHBondContact O-CG2 3.33Å; G456-V460 PolarHBondContact O-N 3.32Å; L457-V460 PolarHBondContact O-N 3.15Å; V460-M462 VanDerWaalsContact C-N 3.31Å; V460-M462 PolarHBondContact O-N 3.16Å; V460-L463 PolarHBondContact O-N 3.3Å; V460-V464 HydrophobicContact CG1-CG2 4.09Å; V460-V464 VanDerWaalsContact O-CB 3.31Å; V460-V464 WeakPolarHBondContact O-CB 3.38Å; V460-V464 WeakPolarHBondContact O-CG2 3.28Å; V460-V464 PolarHBondContact O-N 3.32Å |
| 461 | A | 88.6 | Confident | 85.8 | Confident | 26 Ų | 26 | 68.6 Ų | 68.6 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L457 L458 W465 | L457-A461 WeakPolarHBondContact O-CB 3.39Å; L457-A461 PolarHBondContact O-N 3.3Å; L458-A461 PolarHBondContact O-N 3.45Å; A461-W465 WeakPolarHBondContact O-CB 3.06Å; A461-W465 PolarHBondContact O-N 3.01Å |
| 462 | M | 88.1 | Confident | 84.5 | Confident | 57 Ų | 57 | 69.2 Ų | 69.2 | 28% | 0.281 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 177 | -167.9 | -177.4 | -166.8 | 0 | 0 | 112.2 | P422 L425 M429 L458 M459 V460 W465 A466 | P422-M462 HydrophobicContact CB-CE 4.36Å; L425-M462 HydrophobicContact CD1-CB 4.28Å; M429-M462 HydrophobicContact SD-SD 4.32Å; L458-M462 WeakPolarHBondContact O-CB 3.45Å; L458-M462 PolarHBondContact O-N 2.92Å; M459-M462 PolarHBondContact O-N 2.9Å; V460-M462 VanDerWaalsContact C-N 3.31Å; V460-M462 PolarHBondContact O-N 3.16Å; M462-W465 PolarHBondContact O-N 2.98Å; M462-A466 WeakPolarHBondContact O-CB 3.39Å; M462-A466 PolarHBondContact O-N 3.47Å |
| 463 | L | 89.2 | Confident | 83.1 | Confident | 113 Ų | 113 | 71.3 Ų | 71.3 | 59% | 0.592 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67 | -41.7 | 176.9 | -70.8 | 166.9 | 0 | 0 | 0 | 111.8 | M459 V460 A466 F467 | M459-L463 HydrophobicContact CG-CD1 4.42Å; M459-L463 WeakPolarHBondContact O-CG 3.39Å; M459-L463 PolarHBondContact O-N 3.21Å; V460-L463 PolarHBondContact O-N 3.3Å; L463-A466 PolarHBondContact O-N 3.35Å; L463-F467 VanDerWaalsContact O-CB 3.28Å; L463-F467 WeakPolarHBondContact O-CB 3.31Å; L463-F467 PolarHBondContact O-N 2.8Å |
| 464 | V | 87.9 | Confident | 82.2 | Confident | 57 Ų | 57 | 75.3 Ų | 75.3 | 35% | 0.345 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 175.2 | 168.6 | 0 | 0 | 0 | 0 | 110.4 | V460 F467 I468 V477 I481 | V460-V464 HydrophobicContact CG1-CG2 4.09Å; V460-V464 VanDerWaalsContact O-CB 3.31Å; V460-V464 WeakPolarHBondContact O-CB 3.38Å; V460-V464 WeakPolarHBondContact O-CG2 3.28Å; V460-V464 PolarHBondContact O-N 3.32Å; V464-F467 PolarHBondContact O-N 3.16Å; V464-I468 HydrophobicContact CG1-CD1 3.57Å; V464-I468 HydrophobicContact CG1-CG1 4.33Å; V464-I468 WeakPolarHBondContact O-CB 3.19Å; V464-I468 WeakPolarHBondContact O-CD1 3.42Å; V464-I468 WeakPolarHBondContact O-CG1 3.35Å; V464-I468 PolarHBondContact O-N 3.44Å; V464-V477 HydrophobicContact CG1-CG1 4.43Å; V464-I481 HydrophobicContact CG1-CD1 4.27Å |
| 465 | W | 85.8 | Confident | 81.1 | Confident | 22 Ų | 22 | 83.6 Ų | 83.6 | 8% | 0.083 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 175.7 | -177 | 95.2 | 0 | 0 | 0 | 111.9 | A418 T421 P422 A461 M462 F467 I468 R469 I481 D482 | A418-W465 WeakPolarHBondContact O-CH2 3.39Å; T421-W465 HydrophobicContact CG2-CG 4.41Å; P422-W465 HydrophobicContact CG-CE3 3.89Å; P422-W465 HydrophobicContact CG-CH2 3.28Å; P422-W465 HydrophobicContact CG-CZ2 3.94Å; P422-W465 HydrophobicContact CG-CZ3 3.26Å; A461-W465 WeakPolarHBondContact O-CB 3.06Å; A461-W465 PolarHBondContact O-N 3.01Å; M462-W465 PolarHBondContact O-N 2.98Å; W465-F467 PolarHBondContact O-N 3.48Å; W465-I468 PolarHBondContact O-N 3.11Å; W465-R469 HydrophobicContact CD2-CG 4.23Å; W465-R469 HydrophobicContact CE3-CG 4.33Å; W465-R469 HydrophobicContact CH2-CG 3.95Å; W465-R469 HydrophobicContact CZ2-CG 3.9Å; W465-R469 HydrophobicContact CZ3-CG 4.16Å; W465-R469 WeakPolarHBondContact O-CB 3.16Å; W465-R469 PolarHBondContact O-N 2.95Å; W465-I481 HydrophobicContact CB-CD1 4.21Å; W465-I481 HydrophobicContact CB-CG2 4.34Å; W465-I481 HydrophobicContact CG-CG2 4.35Å; W465-D482 PolarHBondContact NE1-OD1 3.4Å |
| 466 | A | 81.7 | Confident | 80.3 | Confident | 48 Ų | 48 | 86.9 Ų | 86.9 | 40% | 0.397 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M462 L463 R469 Y470 | M462-A466 WeakPolarHBondContact O-CB 3.39Å; M462-A466 PolarHBondContact O-N 3.47Å; L463-A466 PolarHBondContact O-N 3.35Å; A466-R469 PolarHBondContact O-N 3.04Å; A466-Y470 WeakPolarHBondContact O-CB 3.21Å; A466-Y470 PolarHBondContact O-N 3.32Å |
| 467 | F | 82.1 | Confident | 79.7 | Confident | 122 Ų | 122 | 88.7 Ų | 88.7 | 54% | 0.535 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 176.2 | 179.8 | -97 | 0 | 0 | 0 | 112.5 | L463 V464 W465 R469 Y470 S471 | L463-F467 VanDerWaalsContact O-CB 3.28Å; L463-F467 WeakPolarHBondContact O-CB 3.31Å; L463-F467 PolarHBondContact O-N 2.8Å; V464-F467 PolarHBondContact O-N 3.16Å; W465-F467 PolarHBondContact O-N 3.48Å; F467-R469 VanDerWaalsContact C-N 3.34Å; F467-Y470 PolarHBondContact O-N 3.42Å; F467-S471 VanDerWaalsContact O-CB 3.26Å; F467-S471 WeakPolarHBondContact O-CB 3.36Å; F467-S471 PolarHBondContact O-N 2.95Å; F467-S471 PolarHBondContact O-OG 3.13Å |
| 468 | I | 81.7 | Confident | 78.9 | Confident | 14 Ų | 14 | 82.8 Ų | 82.8 | 7% | 0.072 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.6 | -73 | 167.3 | 0 | 0 | 0 | 110.6 | V464 W465 G472 Q473 V477 | V464-I468 HydrophobicContact CG1-CD1 3.57Å; V464-I468 HydrophobicContact CG1-CG1 4.33Å; V464-I468 WeakPolarHBondContact O-CB 3.19Å; V464-I468 WeakPolarHBondContact O-CD1 3.42Å; V464-I468 WeakPolarHBondContact O-CG1 3.35Å; V464-I468 PolarHBondContact O-N 3.44Å; W465-I468 PolarHBondContact O-N 3.11Å; I468-G472 VanDerWaalsContact O-CA 3.32Å; I468-G472 WeakPolarHBondContact O-CA 3.49Å; I468-G472 PolarHBondContact O-N 3.41Å; I468-Q473 WeakPolarHBondContact CG2-O 3.42Å; I468-V477 HydrophobicContact CD1-CB 3.89Å; I468-V477 HydrophobicContact CD1-CG1 3.88Å |
| 469 | R | 74.8 | Confident | 78.2 | Confident | 117 Ų | 117 | 83.2 Ų | 83.2 | 44% | 0.442 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.7 | -36.5 | 176.2 | -79.4 | -69.1 | -166.8 | 165 | 2.5 | 112.8 | W465 A466 F467 D482 | W465-R469 HydrophobicContact CD2-CG 4.23Å; W465-R469 HydrophobicContact CE3-CG 4.33Å; W465-R469 HydrophobicContact CH2-CG 3.95Å; W465-R469 HydrophobicContact CZ2-CG 3.9Å; W465-R469 HydrophobicContact CZ3-CG 4.16Å; W465-R469 WeakPolarHBondContact O-CB 3.16Å; W465-R469 PolarHBondContact O-N 2.95Å; A466-R469 PolarHBondContact O-N 3.04Å; F467-R469 VanDerWaalsContact C-N 3.34Å; R469-D482 IonicContact NH2-OD2 3.62Å |
| 470 | Y | 72 | Confident | 77.7 | Confident | 209 Ų | 209 | 81 Ų | 81 | 82% | 0.82 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -75.4 | -43 | 177.8 | -176 | -101 | 0 | 0 | 0 | 113.1 | A466 F467 | A466-Y470 WeakPolarHBondContact O-CB 3.21Å; A466-Y470 PolarHBondContact O-N 3.32Å; F467-Y470 PolarHBondContact O-N 3.42Å |
| 471 | S | 72.1 | Confident | 77.3 | Confident | 44 Ų | 44 | 78.5 Ų | 78.5 | 31% | 0.308 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -87 | -21.4 | -176.3 | 66.3 | 0 | 0 | 0 | 0 | 114.1 | F467 Q473 | F467-S471 VanDerWaalsContact O-CB 3.26Å; F467-S471 WeakPolarHBondContact O-CB 3.36Å; F467-S471 PolarHBondContact O-N 2.95Å; F467-S471 PolarHBondContact O-OG 3.13Å; S471-Q473 PolarHBondContact O-N 3.12Å |
| 472 | G | 59.9 | Low | 76.8 | Confident | 35 Ų | 35 | 79.3 Ų | 79.3 | 36% | 0.361 | 41% | 0.409 | S | S | . | . | trans | 72 | -0.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | I468 | I468-G472 VanDerWaalsContact O-CA 3.32Å; I468-G472 WeakPolarHBondContact O-CA 3.49Å; I468-G472 PolarHBondContact O-N 3.41Å | ||
| 473 | Q | 59 | Low | 76.6 | Confident | 118 Ų | 118 | 83.5 Ų | 83.5 | 55% | 0.551 | 43% | 0.428 | S | S | * | . | trans | -89.6 | 152.2 | 178.8 | -65.4 | -173.2 | -7.8 | 0 | 0 | 111.6 | I468 S471 R475 | I468-Q473 WeakPolarHBondContact CG2-O 3.42Å; S471-Q473 PolarHBondContact O-N 3.12Å; Q473-R475 PolarHBondContact O-N 3.14Å | ||
| 474 | Y | 71.6 | Confident | 76.2 | Confident | 162 Ų | 162 | 80.9 Ų | 80.9 | 64% | 0.635 | 42% | 0.423 | S | S | * | . | trans | 60.8 | 40 | 179 | -51.9 | -81.6 | 0 | 0 | 0 | 115.5 | P476 V477 G478 | Y474-P476 VanDerWaalsContact C-N 3.32Å; Y474-P476 VanDerWaalsContact O-N 3.16Å; Y474-V477 PolarHBondContact O-N 2.89Å; Y474-G478 PolarHBondContact O-N 3.34Å | ||
| 475 | R | 66.4 | Low | 75.9 | Confident | 196 Ų | 196 | 78.4 Ų | 78.4 | 74% | 0.74 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -44 | -40.3 | 172.9 | -64.9 | -173.1 | -179.9 | -178.4 | -2.4 | 116.1 | Q473 V477 G478 G479 | Q473-R475 PolarHBondContact O-N 3.14Å; R475-V477 VanDerWaalsContact C-N 3.28Å; R475-V477 PolarHBondContact O-N 3.47Å; R475-G478 PolarHBondContact O-N 2.92Å; R475-G479 PolarHBondContact O-N 3.27Å |
| 476 | P | 73.3 | Confident | 75.7 | Confident | 107 Ų | 107 | 77.9 Ų | 77.9 | 70% | 0.695 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.6 | -29.9 | 179.2 | 20.3 | -30.6 | 0 | 0 | 0 | 113.8 | Y474 A480 | Y474-P476 VanDerWaalsContact C-N 3.32Å; Y474-P476 VanDerWaalsContact O-N 3.16Å; P476-A480 PolarHBondContact O-N 2.98Å; P476-A480 VanDerWaalsContact O-N 3.09Å |
| 477 | V | 77.9 | Confident | 75.7 | Confident | 71 Ų | 71 | 78.9 Ų | 78.9 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.2 | -40.2 | 175.9 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | V464 I468 Y474 R475 G479 A480 I481 | V464-V477 HydrophobicContact CG1-CG1 4.43Å; I468-V477 HydrophobicContact CD1-CB 3.89Å; I468-V477 HydrophobicContact CD1-CG1 3.88Å; Y474-V477 PolarHBondContact O-N 2.89Å; R475-V477 VanDerWaalsContact C-N 3.28Å; R475-V477 PolarHBondContact O-N 3.47Å; V477-G479 VanDerWaalsContact C-N 3.34Å; V477-G479 PolarHBondContact O-N 3.34Å; V477-A480 PolarHBondContact O-N 3.32Å; V477-I481 HydrophobicContact CG1-CD1 4.4Å; V477-I481 WeakPolarHBondContact O-CG1 3.36Å; V477-I481 PolarHBondContact O-N 2.7Å |
| 478 | G | 74.1 | Confident | 75.8 | Confident | 6 Ų | 6 | 75.7 Ų | 75.7 | 6% | 0.062 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y474 R475 A480 I481 D482 | Y474-G478 PolarHBondContact O-N 3.34Å; R475-G478 PolarHBondContact O-N 2.92Å; G478-A480 PolarHBondContact O-N 2.87Å; G478-I481 PolarHBondContact O-N 3.41Å; G478-D482 PolarHBondContact O-N 3.36Å |
| 479 | G | 75.2 | Confident | 75.7 | Confident | 37 Ų | 37 | 77.9 Ų | 77.9 | 38% | 0.381 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R475 V477 D482 Q483 | R475-G479 PolarHBondContact O-N 3.27Å; V477-G479 VanDerWaalsContact C-N 3.34Å; V477-G479 PolarHBondContact O-N 3.34Å; G479-D482 PolarHBondContact O-N 3.22Å; G479-Q483 WeakPolarHBondContact O-CB 3.37Å; G479-Q483 PolarHBondContact O-N 2.91Å |
| 480 | A | 80.1 | Confident | 76 | Confident | 58 Ų | 58 | 78.2 Ų | 78.2 | 48% | 0.479 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P476 V477 G478 Q483 A484 | P476-A480 PolarHBondContact O-N 2.98Å; P476-A480 VanDerWaalsContact O-N 3.09Å; V477-A480 PolarHBondContact O-N 3.32Å; G478-A480 PolarHBondContact O-N 2.87Å; A480-Q483 PolarHBondContact O-N 3.15Å; A480-A484 WeakPolarHBondContact O-CB 3.47Å; A480-A484 PolarHBondContact O-N 3.41Å |
| 481 | I | 81.9 | Confident | 76.5 | Confident | 29 Ų | 29 | 73.8 Ų | 73.8 | 15% | 0.149 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67 | -43.3 | 175.2 | -63 | 167.8 | 0 | 0 | 0 | 110.5 | T421 L425 V464 W465 V477 G478 Q483 A484 A485 | T421-I481 HydrophobicContact CG2-CG2 3.95Å; L425-I481 HydrophobicContact CD1-CG2 4.14Å; V464-I481 HydrophobicContact CG1-CD1 4.27Å; W465-I481 HydrophobicContact CB-CD1 4.21Å; W465-I481 HydrophobicContact CB-CG2 4.34Å; W465-I481 HydrophobicContact CG-CG2 4.35Å; V477-I481 HydrophobicContact CG1-CD1 4.4Å; V477-I481 WeakPolarHBondContact O-CG1 3.36Å; V477-I481 PolarHBondContact O-N 2.7Å; G478-I481 PolarHBondContact O-N 3.41Å; I481-Q483 VanDerWaalsContact C-N 3.33Å; I481-Q483 PolarHBondContact O-N 3Å; I481-A484 PolarHBondContact O-N 3.47Å; I481-A485 WeakPolarHBondContact O-CB 3.35Å; I481-A485 PolarHBondContact O-N 3.23Å |
| 482 | D | 79.1 | Confident | 76.7 | Confident | 43 Ų | 43 | 74 Ų | 74 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 176 | -74.5 | -22 | 0 | 0 | 0 | 111.6 | T421 W465 R469 G478 G479 A485 G486 | T421-D482 WeakPolarHBondContact CB-OD1 3.32Å; T421-D482 VanDerWaalsContact CG2-OD1 3.27Å; T421-D482 WeakPolarHBondContact CG2-OD1 3.39Å; T421-D482 PolarHBondContact OG1-OD1 3.07Å; W465-D482 PolarHBondContact NE1-OD1 3.4Å; R469-D482 IonicContact NH2-OD2 3.62Å; G478-D482 PolarHBondContact O-N 3.36Å; G479-D482 PolarHBondContact O-N 3.22Å; D482-A485 PolarHBondContact O-N 2.99Å; D482-G486 PolarHBondContact O-N 2.81Å |
| 483 | Q | 82.1 | Confident | 77.4 | Confident | 146 Ų | 146 | 75.3 Ų | 75.3 | 68% | 0.682 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.6 | -43.1 | 177.7 | -167.9 | 175.5 | 11 | 0 | 0 | 111.9 | G479 A480 I481 G486 V487 | G479-Q483 WeakPolarHBondContact O-CB 3.37Å; G479-Q483 PolarHBondContact O-N 2.91Å; A480-Q483 PolarHBondContact O-N 3.15Å; I481-Q483 VanDerWaalsContact C-N 3.33Å; I481-Q483 PolarHBondContact O-N 3Å; Q483-G486 PolarHBondContact O-N 2.85Å; Q483-V487 WeakPolarHBondContact O-CG2 3.43Å; Q483-V487 PolarHBondContact O-N 3.05Å; Q483-V487 VanDerWaalsContact O-N 3.08Å |
| 484 | A | 82.3 | Confident | 78.2 | Confident | 58 Ų | 58 | 75.8 Ų | 75.8 | 48% | 0.479 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | A480 I481 G486 V487 V488 | A480-A484 WeakPolarHBondContact O-CB 3.47Å; A480-A484 PolarHBondContact O-N 3.41Å; I481-A484 PolarHBondContact O-N 3.47Å; A484-G486 VanDerWaalsContact C-N 3.29Å; A484-G486 PolarHBondContact O-N 2.77Å; A484-V487 PolarHBondContact O-N 2.99Å; A484-V488 WeakPolarHBondContact O-CG2 3.49Å; A484-V488 PolarHBondContact O-N 3Å |
| 485 | A | 81.4 | Confident | 78.2 | Confident | 5 Ų | 5 | 74.6 Ų | 74.6 | 4% | 0.041 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64 | -35 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T421 V424 I481 D482 V488 L489 | T421-A485 HydrophobicContact CG2-CB 3.83Å; V424-A485 HydrophobicContact CB-CB 4.21Å; V424-A485 HydrophobicContact CG1-CB 4.06Å; I481-A485 WeakPolarHBondContact O-CB 3.35Å; I481-A485 PolarHBondContact O-N 3.23Å; D482-A485 PolarHBondContact O-N 2.99Å; A485-V488 PolarHBondContact O-N 2.77Å; A485-L489 PolarHBondContact O-N 2.64Å; A485-L489 VanDerWaalsContact O-N 3.09Å |
| 486 | G | 80 | Confident | 78.3 | Confident | 11 Ų | 11 | 70.3 Ų | 70.3 | 11% | 0.113 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.5 | -49.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D482 Q483 A484 V488 L489 E490 | D482-G486 PolarHBondContact O-N 2.81Å; Q483-G486 PolarHBondContact O-N 2.85Å; A484-G486 VanDerWaalsContact C-N 3.29Å; A484-G486 PolarHBondContact O-N 2.77Å; G486-V488 PolarHBondContact O-N 2.98Å; G486-L489 PolarHBondContact O-N 3.36Å; G486-E490 PolarHBondContact O-N 3.39Å |
| 487 | V | 83.3 | Confident | 78 | Confident | 68 Ų | 68 | 70 Ų | 70 | 41% | 0.412 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 179.2 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | Q483 A484 L489 E490 Q491 | Q483-V487 WeakPolarHBondContact O-CG2 3.43Å; Q483-V487 PolarHBondContact O-N 3.05Å; Q483-V487 VanDerWaalsContact O-N 3.08Å; A484-V487 PolarHBondContact O-N 2.99Å; V487-L489 VanDerWaalsContact C-N 3.33Å; V487-L489 PolarHBondContact O-N 3.44Å; V487-E490 PolarHBondContact O-N 3.32Å; V487-Q491 WeakPolarHBondContact O-CG 3.38Å; V487-Q491 PolarHBondContact O-N 3.44Å |
| 488 | V | 82.6 | Confident | 77.6 | Confident | 55 Ų | 55 | 74.7 Ų | 74.7 | 33% | 0.333 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 178.1 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | V424 A484 A485 G486 A492 | V424-V488 HydrophobicContact CG1-CB 4.4Å; V424-V488 HydrophobicContact CG1-CG1 4.23Å; A484-V488 WeakPolarHBondContact O-CG2 3.49Å; A484-V488 PolarHBondContact O-N 3Å; A485-V488 PolarHBondContact O-N 2.77Å; G486-V488 PolarHBondContact O-N 2.98Å; V488-A492 WeakPolarHBondContact O-CB 2.98Å; V488-A492 PolarHBondContact O-N 3.5Å |
| 489 | L | 80.6 | Confident | 76.8 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 32% | 0.319 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 178.7 | -172.7 | 68.6 | 0 | 0 | 0 | 112 | R420 V424 A485 G486 V487 A492 T493 | R420-L489 HydrophobicContact CG-CD2 4.3Å; R420-L489 VanDerWaalsContact NE-CD2 3.35Å; V424-L489 HydrophobicContact CG2-CB 4.14Å; V424-L489 HydrophobicContact CG2-CD1 4.1Å; V424-L489 HydrophobicContact CG2-CD2 4.35Å; V424-L489 HydrophobicContact CG2-CG 4.43Å; A485-L489 PolarHBondContact O-N 2.64Å; A485-L489 VanDerWaalsContact O-N 3.09Å; G486-L489 PolarHBondContact O-N 3.36Å; V487-L489 VanDerWaalsContact C-N 3.33Å; V487-L489 PolarHBondContact O-N 3.44Å; L489-A492 PolarHBondContact O-N 3.16Å; L489-T493 WeakPolarHBondContact O-CB 3.41Å; L489-T493 PolarHBondContact O-N 3.2Å; L489-T493 PolarHBondContact O-OG1 3.35Å |
| 490 | E | 81.9 | Confident | 75.7 | Confident | 124 Ų | 124 | 86.5 Ų | 86.5 | 58% | 0.579 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.1 | -47.5 | 175.9 | -79.3 | 177.3 | -178.9 | 0 | 0 | 111.4 | G486 V487 A492 T493 E494 | G486-E490 PolarHBondContact O-N 3.39Å; V487-E490 PolarHBondContact O-N 3.32Å; E490-A492 PolarHBondContact O-N 2.97Å; E490-T493 PolarHBondContact O-N 3.19Å; E490-E494 PolarHBondContact O-N 2.99Å |
| 491 | Q | 81 | Confident | 73.9 | Confident | 116 Ų | 116 | 87 Ų | 87 | 54% | 0.542 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 176.8 | -72.9 | 179.9 | -10.3 | 0 | 0 | 112.5 | V487 T493 M495 | V487-Q491 WeakPolarHBondContact O-CG 3.38Å; V487-Q491 PolarHBondContact O-N 3.44Å; Q491-T493 VanDerWaalsContact C-N 3.32Å; Q491-T493 PolarHBondContact O-N 3.15Å; Q491-M495 WeakPolarHBondContact O-CB 3.37Å; Q491-M495 WeakPolarHBondContact O-CG 3.48Å; Q491-M495 PolarHBondContact O-N 3.11Å |
| 492 | A | 76.3 | Confident | 71.8 | Confident | 47 Ų | 47 | 89.8 Ų | 89.8 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V488 L489 E490 M495 L496 | V488-A492 WeakPolarHBondContact O-CB 2.98Å; V488-A492 PolarHBondContact O-N 3.5Å; L489-A492 PolarHBondContact O-N 3.16Å; E490-A492 PolarHBondContact O-N 2.97Å; A492-M495 PolarHBondContact O-N 3.11Å; A492-L496 WeakPolarHBondContact O-CB 3.49Å; A492-L496 PolarHBondContact O-N 3.46Å |
| 493 | T | 75.8 | Confident | 69.9 | Low | 63 Ų | 63 | 93.9 Ų | 93.9 | 39% | 0.387 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.5 | -41.4 | 179.8 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | L489 E490 Q491 L496 N497 | L489-T493 WeakPolarHBondContact O-CB 3.41Å; L489-T493 PolarHBondContact O-N 3.2Å; L489-T493 PolarHBondContact O-OG1 3.35Å; E490-T493 PolarHBondContact O-N 3.19Å; Q491-T493 VanDerWaalsContact C-N 3.32Å; Q491-T493 PolarHBondContact O-N 3.15Å; T493-L496 PolarHBondContact O-N 2.74Å; T493-N497 WeakPolarHBondContact O-CB 3.49Å; T493-N497 PolarHBondContact O-N 3.44Å |
| 494 | E | 75.6 | Confident | 67.8 | Low | 128 Ų | 128 | 93.1 Ų | 93.1 | 60% | 0.598 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 173.3 | -77.7 | -168.7 | 162.5 | 0 | 0 | 112.3 | E490 N497 K498 | E490-E494 PolarHBondContact O-N 2.99Å; E494-N497 PolarHBondContact O-N 2.92Å; E494-K498 WeakPolarHBondContact O-CB 3.29Å; E494-K498 PolarHBondContact O-N 2.74Å |
| 495 | M | 72.4 | Confident | 65.5 | Low | 138 Ų | 138 | 95.4 Ų | 95.4 | 68% | 0.68 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67 | -41.8 | 176.6 | -72.1 | -74.5 | -118 | 0 | 0 | 111.9 | Q491 A492 K498 S499 | Q491-M495 WeakPolarHBondContact O-CB 3.37Å; Q491-M495 WeakPolarHBondContact O-CG 3.48Å; Q491-M495 PolarHBondContact O-N 3.11Å; A492-M495 PolarHBondContact O-N 3.11Å; M495-K498 PolarHBondContact O-N 3.18Å; M495-S499 PolarHBondContact O-N 2.91Å |
| 496 | L | 67 | Low | 63.3 | Low | 105 Ų | 105 | 102.1 Ų | 102.1 | 55% | 0.55 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.5 | -44.4 | 174.1 | -88.4 | 157.8 | 0 | 0 | 0 | 111.9 | A492 T493 S499 R500 | A492-L496 WeakPolarHBondContact O-CB 3.49Å; A492-L496 PolarHBondContact O-N 3.46Å; T493-L496 PolarHBondContact O-N 2.74Å; L496-S499 PolarHBondContact O-N 3.29Å; L496-S499 VanDerWaalsContact O-N 3.16Å; L496-S499 PolarHBondContact O-OG 2.89Å; L496-R500 PolarHBondContact O-N 3.22Å |
| 497 | N | 67.8 | Low | 61.2 | Low | 102 Ų | 102 | 110.5 Ų | 110.5 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.6 | -33.6 | 177 | -78.2 | -16.2 | 0 | 0 | 0 | 112.5 | T493 E494 S499 R500 | T493-N497 WeakPolarHBondContact O-CB 3.49Å; T493-N497 PolarHBondContact O-N 3.44Å; E494-N497 PolarHBondContact O-N 2.92Å; N497-S499 VanDerWaalsContact C-N 3.33Å; N497-R500 CarbonylContact O-C 3.6Å; N497-R500 PolarHBondContact O-N 3.43Å |
| 498 | K | 68.9 | Low | 58.8 | Low | 168 Ų | 168 | 116.7 Ų | 116.7 | 73% | 0.73 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.5 | -31.5 | 170.1 | -84.7 | 176.7 | 176.7 | 168.1 | 0 | 112.9 | E494 M495 | E494-K498 WeakPolarHBondContact O-CB 3.29Å; E494-K498 PolarHBondContact O-N 2.74Å; M495-K498 PolarHBondContact O-N 3.18Å |
| 499 | S | 58 | Low | 56.6 | Low | 94 Ų | 94 | 123.5 Ų | 123.5 | 66% | 0.657 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76.7 | -27.1 | 176.3 | 84.7 | 0 | 0 | 0 | 0 | 113.3 | M495 L496 N497 G501 | M495-S499 PolarHBondContact O-N 2.91Å; L496-S499 PolarHBondContact O-N 3.29Å; L496-S499 VanDerWaalsContact O-N 3.16Å; L496-S499 PolarHBondContact O-OG 2.89Å; N497-S499 VanDerWaalsContact C-N 3.33Å; S499-G501 PolarHBondContact O-N 3.35Å |
| 500 | R | 52.7 | Low | 54.5 | Low | 198 Ų | 198 | 126.1 Ų | 126.1 | 75% | 0.747 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -87.2 | 84 | 170.9 | -76.8 | -179 | 164.8 | 178.8 | -4 | 109.3 | L496 N497 | L496-R500 PolarHBondContact O-N 3.22Å; N497-R500 CarbonylContact O-C 3.6Å; N497-R500 PolarHBondContact O-N 3.43Å |
| 501 | G | 40.4 | Very low | 52.3 | Low | 68 Ų | 68 | 129.6 Ų | 129.6 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | -49.2 | 157.7 | -176 | 0 | 0 | 0 | 0 | 0 | 116.3 | S499 | S499-G501 PolarHBondContact O-N 3.35Š| ||
| 502 | A | 38.5 | Very low | 50.8 | Low | 88 Ų | 88 | 130.3 Ų | 130.3 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -41.8 | 150.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V504 | A502-V504 PolarHBondContact O-N 3.47Š| ||
| 503 | P | 38.8 | Very low | 49.5 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | trans | -63.1 | 130.6 | 175.4 | 27 | -31.8 | 0 | 0 | 0 | 110.1 | S505 | P503-S505 PolarHBondContact O-N 3.4Å; P503-S505 VanDerWaalsContact O-N 3.09Å | ||
| 504 | V | 37.8 | Very low | 48 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -56.6 | 112.6 | 175.9 | 175.6 | 0 | 0 | 0 | 0 | 109.2 | A502 I506 | A502-V504 PolarHBondContact O-N 3.47Å; V504-I506 PolarHBondContact O-N 2.93Å; V504-I506 VanDerWaalsContact O-N 3.14Å | ||
| 505 | S | 35 | Very low | 46.4 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -63.2 | 108.2 | 165 | 52.7 | 0 | 0 | 0 | 0 | 109 | P503 Q507 | P503-S505 PolarHBondContact O-N 3.4Å; P503-S505 VanDerWaalsContact O-N 3.09Å; S505-Q507 PolarHBondContact O-N 3.48Å | ||
| 506 | I | 36 | Very low | 44.8 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | -68.5 | 96.8 | 170.3 | -60.9 | 173.4 | 0 | 0 | 0 | 107.6 | V504 K508 | V504-I506 PolarHBondContact O-N 2.93Å; V504-I506 VanDerWaalsContact O-N 3.14Å; I506-K508 PolarHBondContact O-N 3.41Å; I506-K508 VanDerWaalsContact O-N 3.13Å | ||
| 507 | Q | 34.3 | Very low | 43.3 | Very low | 187 Ų | 187 | 141.6 Ų | 141.6 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -67.7 | 100 | 157.8 | -96.8 | -176.2 | -19.2 | 0 | 0 | 107.9 | S505 K509 | S505-Q507 PolarHBondContact O-N 3.48Å; Q507-K509 PolarHBondContact O-N 2.84Å | ||
| 508 | K | 34.4 | Very low | 41.6 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | trans | -66.6 | 109.7 | 160 | -98.8 | -178.2 | 173.9 | 179.7 | 0 | 107.8 | I506 | I506-K508 PolarHBondContact O-N 3.41Å; I506-K508 VanDerWaalsContact O-N 3.13Å | ||
| 509 | K | 34.6 | Very low | 39.5 | Very low | 199 Ų | 199 | 142.6 Ų | 142.6 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | trans | -59.5 | 132.9 | 166.4 | -82.9 | 179.7 | 172.8 | 178.9 | 0 | 109.6 | Q507 S511 | Q507-K509 PolarHBondContact O-N 2.84Å; K509-S511 PolarHBondContact O-N 3.07Å | ||
| 510 | S | 37.5 | Very low | 37.9 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -68.2 | 116.5 | 158 | 56.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 511 | S | 34.8 | Very low | 36.6 | Very low | 197 Ų | 197 | 142 Ų | 142 | 100% | 1.378 | 85% | 0.847 | S | S | * | * | trans | -158.5 | 0 | 147.2 | -70 | 0 | 0 | 0 | 0 | 107.1 | K509 | K509-S511 PolarHBondContact O-N 3.07Š|
Retrieved 511 of 511 residues in 423.2 ms
(Link to these results)