| 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 | 34.1 | Very low | 71.6 | Confident | 229 Ų | 229 | 78.6 Ų | 78.6 | 100% | 1.128 | 46% | 0.461 | S | S | * | . | 0 | 123.6 | 0 | -87.4 | 167.6 | 58.5 | 0 | 0 | 106.7 | A3 | M1-A3 PolarHBondContact O-N 2.78Š| |||
| 2 | V | 32.4 | Very low | 73.4 | Confident | 128 Ų | 128 | 72.2 Ų | 72.2 | 78% | 0.776 | 42% | 0.423 | S | S | * | . | trans | -46.4 | 98.4 | -146.6 | -171 | 0 | 0 | 0 | 0 | 113.7 | A4 | V2-A4 HydrophobicContact CG1-CB 4.3Å; V2-A4 PolarHBondContact O-N 2.59Å | ||
| 3 | A | 34.8 | Very low | 74.7 | Confident | 87 Ų | 87 | 71.1 Ų | 71.1 | 72% | 0.719 | 42% | 0.415 | S | S | * | . | trans | -71.2 | 91.4 | 149.9 | 0 | 0 | 0 | 0 | 0 | 104.9 | M1 | M1-A3 PolarHBondContact O-N 2.78Š| ||
| 4 | A | 53.3 | Low | 75.5 | Confident | 48 Ų | 48 | 67.7 Ų | 67.7 | 40% | 0.397 | 40% | 0.395 | S | S | . | . | trans | -59 | 137.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | V2 G6 | V2-A4 HydrophobicContact CG1-CB 4.3Å; V2-A4 PolarHBondContact O-N 2.59Å; A4-G6 PolarHBondContact O-N 3.33Å | ||
| 5 | D | 74.8 | Confident | 75.9 | Confident | 149 Ų | 149 | 70.5 Ų | 70.5 | 80% | 0.797 | 40% | 0.403 | S | S | * | . | trans | -65 | 32.7 | -170.5 | -73 | -38.8 | 0 | 0 | 0 | 115 | H7 | D5-H7 PolarHBondContact O-ND1 3.02Š| ||
| 6 | G | 89.1 | Confident | 75.7 | Confident | 17 Ų | 17 | 73 Ų | 73 | 18% | 0.175 | 41% | 0.41 | C | S | . | . | trans | -61.5 | 137.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A4 W103 S104 | A4-G6 PolarHBondContact O-N 3.33Å; G6-W103 VanDerWaalsContact C-CH2 3.46Å; G6-W103 VanDerWaalsContact CA-CZ2 3.5Å; G6-W103 WeakPolarHBondContact O-CH2 3.31Å; G6-W103 WeakPolarHBondContact O-CZ2 3.48Å; G6-S104 VanDerWaalsContact CA-OG 3.3Å; G6-S104 WeakPolarHBondContact CA-OG 3.34Å | ||
| 7 | H | 93.8 | Very high | 75.1 | Confident | 111 Ų | 111 | 73.4 Ų | 73.4 | 51% | 0.514 | 42% | 0.418 | S | S | . | . | trans | -145.3 | 163.8 | 172.2 | 57.6 | -78.3 | 0 | 0 | 0 | 110 | D5 W103 S104 | D5-H7 PolarHBondContact O-ND1 3.02Å; H7-W103 VanDerWaalsContact C-CZ3 3.45Å; H7-S104 PolarHBondContact N-OG 2.65Å; H7-S104 PolarHBondContact ND1-OG 3.07Å; H7-S104 WeakPolarHBondContact O-CB 2.9Å; H7-S104 PolarHBondContact O-N 2.97Å; H7-S104 PolarHBondContact O-OG 2.79Å | ||
| 8 | A | 93.7 | Very high | 74.6 | Confident | 27 Ų | 27 | 78.9 Ų | 78.9 | 22% | 0.223 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 129 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110 | F87 L101 | A8-F87 HydrophobicContact CB-CD1 3.59Å; A8-F87 HydrophobicContact CB-CE1 4.02Å; A8-F87 HydrophobicContact CB-CG 4.42Å; A8-L101 HydrophobicContact CB-CD1 4.34Å; A8-L101 HydrophobicContact CB-CD2 4.24Å |
| 9 | V | 94 | Very high | 74.2 | Confident | 16 Ų | 16 | 86.3 Ų | 86.3 | 10% | 0.097 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.2 | -178.5 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | I11 I33 L101 L102 S104 | V9-I11 HydrophobicContact CB-CD1 4.42Å; V9-I11 HydrophobicContact CG1-CD1 3.82Å; V9-I11 PolarHBondContact O-N 3.18Å; V9-I33 HydrophobicContact CB-CD1 4.2Å; V9-I33 HydrophobicContact CG1-CD1 4.39Å; V9-I33 HydrophobicContact CG2-CD1 4.32Å; V9-L101 CarbonylContact O-C 3.58Å; V9-L101 VanDerWaalsContact O-CA 3.27Å; V9-L101 WeakPolarHBondContact O-CA 3.48Å; V9-L102 PolarHBondContact N-O 2.96Å; V9-L102 PolarHBondContact O-N 2.64Å; V9-S104 VanDerWaalsContact CG2-CB 3.5Å |
| 10 | Q | 93.8 | Very high | 74.1 | Confident | 53 Ų | 53 | 89.5 Ų | 89.5 | 25% | 0.248 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 115.7 | 177.6 | -168.5 | 68.9 | 46.1 | 0 | 0 | 109.9 | I12 N13 V98 I100 L101 | Q10-I12 PolarHBondContact NE2-O 3.43Å; Q10-N13 WeakPolarHBondContact CG-OD1 3.44Å; Q10-V98 PolarHBondContact NE2-O 3.23Å; Q10-V98 PolarHBondContact OE1-O 3.48Å; Q10-I100 PolarHBondContact NE2-O 2.62Å; Q10-L101 HydrophobicContact CB-CD2 4.1Å |
| 11 | I | 94.6 | Very high | 74.3 | Confident | 0 Ų | 0 | 86 Ų | 86 | 0% | 0 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -40.2 | -177.4 | -61.3 | -55 | 0 | 0 | 0 | 111 | V9 L25 D26 L30 I33 I100 L102 | V9-I11 HydrophobicContact CB-CD1 4.42Å; V9-I11 HydrophobicContact CG1-CD1 3.82Å; V9-I11 PolarHBondContact O-N 3.18Å; I11-L25 HydrophobicContact CG2-CD1 3.59Å; I11-L25 WeakPolarHBondContact O-CA 3.24Å; I11-D26 PolarHBondContact O-N 3.12Å; I11-L30 HydrophobicContact CD1-CB 4.07Å; I11-L30 HydrophobicContact CD1-CD1 4.1Å; I11-L30 HydrophobicContact CG1-CD1 4.28Å; I11-L30 HydrophobicContact CG2-CB 4.16Å; I11-L30 HydrophobicContact CG2-CD1 3.82Å; I11-L30 HydrophobicContact CG2-CD2 4.21Å; I11-L30 HydrophobicContact CG2-CG 4.26Å; I11-I33 HydrophobicContact CD1-CD1 4.23Å; I11-I100 PolarHBondContact N-O 3.06Å; I11-L102 HydrophobicContact CG1-CB 3.86Å; I11-L102 HydrophobicContact CG1-CD1 3.87Å; I11-L102 HydrophobicContact CG1-CG 3.78Å |
| 12 | I | 92.6 | Very high | 76.6 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.005 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 116.1 | 177.5 | -54.5 | -169.1 | 0 | 0 | 0 | 108.7 | Q10 F23 T24 L25 G99 I100 L143 F307 I311 | Q10-I12 PolarHBondContact NE2-O 3.43Å; I12-F23 HydrophobicContact CG2-CB 4.31Å; I12-F23 HydrophobicContact CG2-CD1 4.41Å; I12-T24 WeakPolarHBondContact CA-O 3.43Å; I12-L25 HydrophobicContact CG1-CD1 4.2Å; I12-G99 WeakPolarHBondContact O-CA 3.42Å; I12-I100 HydrophobicContact CB-CB 4.01Å; I12-I100 HydrophobicContact CB-CG1 4.27Å; I12-I100 HydrophobicContact CD1-CB 4.36Å; I12-I100 HydrophobicContact CD1-CD1 3.78Å; I12-I100 HydrophobicContact CD1-CG1 4.23Å; I12-I100 HydrophobicContact CG1-CB 4.11Å; I12-I100 HydrophobicContact CG1-CD1 4.48Å; I12-I100 HydrophobicContact CG1-CG1 4.44Å; I12-I100 PolarHBondContact N-O 3.22Å; I12-I100 PolarHBondContact O-N 3.11Å; I12-L143 HydrophobicContact CD1-CD1 3.81Å; I12-F307 HydrophobicContact CD1-CD1 4.27Å; I12-F307 HydrophobicContact CD1-CE1 4.18Å; I12-I311 HydrophobicContact CD1-CD1 4.36Å; I12-I311 HydrophobicContact CG2-CD1 4.07Å |
| 13 | N | 89.8 | Confident | 79.2 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 31% | 0.31 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 147.8 | 172.2 | -64 | -58.9 | 0 | 0 | 0 | 110.3 | Q10 F23 T24 | Q10-N13 WeakPolarHBondContact CG-OD1 3.44Å; N13-F23 VanDerWaalsContact O-CA 3.32Å; N13-F23 WeakPolarHBondContact O-CA 3.42Å; N13-T24 WeakPolarHBondContact CB-OG1 3.47Å; N13-T24 PolarHBondContact N-O 3.42Å; N13-T24 PolarHBondContact O-N 2.9Å |
| 14 | V | 86 | Confident | 81.9 | Confident | 24 Ų | 24 | 69.5 Ų | 69.5 | 15% | 0.145 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 117.8 | 174.2 | -174.9 | 0 | 0 | 0 | 0 | 107.2 | T21 F23 V98 Q136 V140 | V14-T21 HydrophobicContact CG1-CG2 3.93Å; V14-F23 HydrophobicContact CG1-CD1 4.46Å; V14-F23 HydrophobicContact CG1-CE1 4.14Å; V14-F23 HydrophobicContact CG2-CD1 3.8Å; V14-F23 HydrophobicContact CG2-CE1 3.85Å; V14-V98 HydrophobicContact CB-CG1 4.15Å; V14-Q136 HydrophobicContact CG1-CG 3.77Å; V14-V140 HydrophobicContact CG2-CG2 4.28Å |
| 15 | E | 81.5 | Confident | 83.8 | Confident | 110 Ų | 110 | 68.3 Ų | 68.3 | 51% | 0.514 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 139.6 | 177.3 | -66.1 | -175.3 | 171.9 | 0 | 0 | 110 | T21 S22 | E15-T21 WeakPolarHBondContact O-CA 3.45Å; E15-S22 PolarHBondContact N-O 2.96Å; E15-S22 PolarHBondContact O-N 2.82Å |
| 16 | E | 73.5 | Confident | 84.7 | Confident | 110 Ų | 110 | 63.7 Ų | 63.7 | 51% | 0.514 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 113.8 | 170.2 | -69.9 | -168.1 | 159.3 | 0 | 0 | 109.5 | Q136 | E16-Q136 VanDerWaalsContact CD-NE2 3.29Å; E16-Q136 PolarHBondContact OE1-NE2 2.66Å; E16-Q136 PolarHBondContact OE1-OE1 3.07Å |
| 17 | C | 65.7 | Low | 85 | Confident | 80 Ų | 80 | 66.8 Ų | 66.8 | 54% | 0.541 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.6 | 173.9 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | K19 K20 | C17-K19 VanDerWaalsContact C-N 3.3Å; C17-K19 PolarHBondContact O-N 3.2Å; C17-K20 PolarHBondContact N-O 2.91Å; C17-K20 PolarHBondContact O-N 2.99Å; C17-K20 VanDerWaalsContact O-O 3.11Å |
| 18 | M | 65.9 | Low | 85.2 | Confident | 173 Ų | 173 | 69 Ų | 69 | 85% | 0.852 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 41.7 | 173.2 | -61.6 | -68.9 | -76.4 | 0 | 0 | 114.4 | K20 | M18-K20 PolarHBondContact O-N 3.32Š|
| 19 | K | 67.1 | Low | 85.3 | Confident | 219 Ų | 219 | 69.1 Ų | 69.1 | 95% | 0.952 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 11.1 | -175.3 | -52.8 | -179.6 | 176.6 | -178.2 | 0 | 115.3 | C17 | C17-K19 VanDerWaalsContact C-N 3.3Å; C17-K19 PolarHBondContact O-N 3.2Å |
| 20 | K | 72.5 | Confident | 85.4 | Confident | 150 Ų | 150 | 68.4 Ų | 68.4 | 65% | 0.652 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130.7 | 167.5 | -69 | -167.4 | 173.5 | -164.2 | 0 | 109.2 | C17 M18 | C17-K20 PolarHBondContact N-O 2.91Å; C17-K20 PolarHBondContact O-N 2.99Å; C17-K20 VanDerWaalsContact O-O 3.11Å; M18-K20 PolarHBondContact O-N 3.32Å |
| 21 | T | 77.1 | Confident | 85.5 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 10% | 0.098 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 125.2 | 167.4 | -60.1 | 0 | 0 | 0 | 0 | 108.5 | V14 E15 F23 Q136 | V14-T21 HydrophobicContact CG1-CG2 3.93Å; E15-T21 WeakPolarHBondContact O-CA 3.45Å; T21-F23 HydrophobicContact CG2-CD2 4.26Å; T21-F23 HydrophobicContact CG2-CE1 4.26Å; T21-F23 HydrophobicContact CG2-CE2 3.59Å; T21-F23 HydrophobicContact CG2-CZ 3.58Å; T21-Q136 HydrophobicContact CG2-CG 3.31Å; T21-Q136 PolarHBondContact OG1-NE2 3.16Å; T21-Q136 VanDerWaalsContact OG1-NE2 3.08Å |
| 22 | S | 83.2 | Confident | 85.6 | Confident | 46 Ų | 46 | 71 Ų | 71 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 142.9 | 166.8 | 46.8 | 0 | 0 | 0 | 0 | 110.1 | E15 | E15-S22 PolarHBondContact N-O 2.96Å; E15-S22 PolarHBondContact O-N 2.82Å |
| 23 | F | 87.4 | Confident | 85.8 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.009 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.7 | 169.9 | -55.6 | -95.1 | 0 | 0 | 0 | 107 | I12 N13 V14 T21 Q136 T139 V140 I311 E315 | I12-F23 HydrophobicContact CG2-CB 4.31Å; I12-F23 HydrophobicContact CG2-CD1 4.41Å; N13-F23 VanDerWaalsContact O-CA 3.32Å; N13-F23 WeakPolarHBondContact O-CA 3.42Å; V14-F23 HydrophobicContact CG1-CD1 4.46Å; V14-F23 HydrophobicContact CG1-CE1 4.14Å; V14-F23 HydrophobicContact CG2-CD1 3.8Å; V14-F23 HydrophobicContact CG2-CE1 3.85Å; T21-F23 HydrophobicContact CG2-CD2 4.26Å; T21-F23 HydrophobicContact CG2-CE1 4.26Å; T21-F23 HydrophobicContact CG2-CE2 3.59Å; T21-F23 HydrophobicContact CG2-CZ 3.58Å; F23-Q136 HydrophobicContact CZ-CG 4.2Å; F23-T139 HydrophobicContact CD1-CG2 3.85Å; F23-T139 HydrophobicContact CD2-CG2 3.83Å; F23-T139 HydrophobicContact CE1-CG2 3.59Å; F23-T139 HydrophobicContact CE2-CG2 3.57Å; F23-T139 HydrophobicContact CG-CG2 3.97Å; F23-T139 HydrophobicContact CZ-CG2 3.43Å; F23-T139 VanDerWaalsContact CZ-CG2 3.43Å; F23-T139 WeakPolarHBondContact CZ-OG1 3.22Å; F23-V140 HydrophobicContact CE1-CG2 4.21Å; F23-I311 HydrophobicContact CB-CD1 3.54Å; F23-I311 HydrophobicContact CB-CG1 4.47Å; F23-E315 WeakPolarHBondContact O-CG 3.38Å |
| 24 | T | 90.1 | Very high | 86.1 | Confident | 50 Ų | 50 | 68.3 Ų | 68.3 | 31% | 0.307 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 134.8 | 176.9 | 61.5 | 0 | 0 | 0 | 0 | 109.4 | I12 N13 | I12-T24 WeakPolarHBondContact CA-O 3.43Å; N13-T24 WeakPolarHBondContact CB-OG1 3.47Å; N13-T24 PolarHBondContact N-O 3.42Å; N13-T24 PolarHBondContact O-N 2.9Å |
| 25 | L | 93.2 | Very high | 86.7 | Confident | 23 Ų | 23 | 70 Ų | 70 | 12% | 0.12 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 125.4 | 174.5 | -179.7 | 68.7 | 0 | 0 | 0 | 110.3 | I11 I12 E27 L30 F307 K308 I311 | I11-L25 HydrophobicContact CG2-CD1 3.59Å; I11-L25 WeakPolarHBondContact O-CA 3.24Å; I12-L25 HydrophobicContact CG1-CD1 4.2Å; L25-E27 VanDerWaalsContact C-N 3.33Å; L25-E27 HydrophobicContact CD2-CG 3.96Å; L25-E27 HydrophobicContact CG-CG 4.15Å; L25-E27 PolarHBondContact O-N 3.31Å; L25-L30 HydrophobicContact CD1-CD2 3.99Å; L25-L30 HydrophobicContact CD2-CD2 4.41Å; L25-F307 HydrophobicContact CD1-CB 4.44Å; L25-F307 HydrophobicContact CD1-CD1 4.36Å; L25-F307 HydrophobicContact CD2-CB 4.28Å; L25-K308 HydrophobicContact CD2-CB 4.35Å; L25-K308 HydrophobicContact CD2-CG 3.6Å; L25-I311 HydrophobicContact CB-CB 4.4Å; L25-I311 HydrophobicContact CB-CG1 4.18Å; L25-I311 HydrophobicContact CB-CG2 3.93Å; L25-I311 HydrophobicContact CD2-CG2 4.11Å |
| 26 | D | 95.2 | Very high | 87.3 | Confident | 51 Ų | 51 | 67.5 Ų | 67.5 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | trans | -78.1 | 87.8 | 166 | -172.8 | -16.2 | 0 | 0 | 0 | 109.1 | I11 E28 S29 L30 | I11-D26 PolarHBondContact O-N 3.12Å; D26-E28 VanDerWaalsContact C-N 3.28Å; D26-E28 PolarHBondContact O-N 3.3Å; D26-E28 PolarHBondContact OD1-N 2.7Å; D26-S29 WeakPolarHBondContact OD1-CB 3.5Å; D26-S29 PolarHBondContact OD1-N 2.94Å; D26-S29 PolarHBondContact OD1-OG 3.24Å; D26-S29 VanDerWaalsContact OD2-CB 3.26Å; D26-S29 WeakPolarHBondContact OD2-CB 3.4Å; D26-S29 PolarHBondContact OD2-OG 3.43Å; D26-L30 WeakPolarHBondContact O-CB 3.41Å; D26-L30 PolarHBondContact O-N 3.07Å | ||
| 27 | E | 95.3 | Very high | 88.4 | Confident | 82 Ų | 82 | 67.5 Ų | 67.5 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64 | -32.9 | -179.7 | -67.4 | -164.7 | -170.6 | 0 | 0 | 112.6 | L25 S31 K308 | L25-E27 VanDerWaalsContact C-N 3.33Å; L25-E27 HydrophobicContact CD2-CG 3.96Å; L25-E27 HydrophobicContact CG-CG 4.15Å; L25-E27 PolarHBondContact O-N 3.31Å; E27-S31 WeakPolarHBondContact O-CB 3.16Å; E27-S31 PolarHBondContact O-N 2.82Å; E27-S31 PolarHBondContact O-OG 3.4Å; E27-S31 VanDerWaalsContact O-OG 3.12Å; E27-K308 HydrophobicContact CG-CD 4.42Å; E27-K308 HydrophobicContact CG-CG 4.45Å; E27-K308 WeakPolarHBondContact OE1-CE 3.43Å; E27-K308 IonicContact OE1-NZ 3.89Å; E27-K308 PolarHBondContact OE1-NZ 2.61Å; E27-K308 WeakPolarHBondContact OE2-CE 3.38Å; E27-K308 IonicContact OE2-NZ 3.79Å; E27-K308 PolarHBondContact OE2-NZ 2.86Å |
| 28 | E | 96.5 | Very high | 89.9 | Confident | 157 Ų | 157 | 66.9 Ų | 66.9 | 73% | 0.734 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.2 | -53 | -179.3 | -174.6 | 175.7 | -179.7 | 0 | 0 | 109.5 | D26 L30 S31 S32 | D26-E28 VanDerWaalsContact C-N 3.28Å; D26-E28 PolarHBondContact O-N 3.3Å; D26-E28 PolarHBondContact OD1-N 2.7Å; E28-L30 PolarHBondContact O-N 3.17Å; E28-S31 PolarHBondContact O-N 2.72Å; E28-S31 PolarHBondContact O-OG 3.02Å; E28-S32 PolarHBondContact O-N 2.72Å |
| 29 | S | 95.5 | Very high | 91.3 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 22% | 0.217 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.9 | -46.5 | 175.7 | -71.3 | 0 | 0 | 0 | 0 | 111.6 | D26 S31 S32 I33 | D26-S29 WeakPolarHBondContact OD1-CB 3.5Å; D26-S29 PolarHBondContact OD1-N 2.94Å; D26-S29 PolarHBondContact OD1-OG 3.24Å; D26-S29 VanDerWaalsContact OD2-CB 3.26Å; D26-S29 WeakPolarHBondContact OD2-CB 3.4Å; D26-S29 PolarHBondContact OD2-OG 3.43Å; S29-S31 PolarHBondContact O-N 3.33Å; S29-S32 PolarHBondContact O-N 2.91Å; S29-S32 PolarHBondContact O-OG 3.32Å; S29-I33 PolarHBondContact O-N 3.22Å |
| 30 | L | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 179.4 | -170.6 | 61.3 | 0 | 0 | 0 | 112.4 | I11 L25 D26 E28 S32 I33 L34 L102 F304 F307 | I11-L30 HydrophobicContact CD1-CB 4.07Å; I11-L30 HydrophobicContact CD1-CD1 4.1Å; I11-L30 HydrophobicContact CG1-CD1 4.28Å; I11-L30 HydrophobicContact CG2-CB 4.16Å; I11-L30 HydrophobicContact CG2-CD1 3.82Å; I11-L30 HydrophobicContact CG2-CD2 4.21Å; I11-L30 HydrophobicContact CG2-CG 4.26Å; L25-L30 HydrophobicContact CD1-CD2 3.99Å; L25-L30 HydrophobicContact CD2-CD2 4.41Å; D26-L30 WeakPolarHBondContact O-CB 3.41Å; D26-L30 PolarHBondContact O-N 3.07Å; E28-L30 PolarHBondContact O-N 3.17Å; L30-S32 VanDerWaalsContact C-N 3.31Å; L30-S32 PolarHBondContact O-N 3.06Å; L30-I33 PolarHBondContact O-N 3Å; L30-L34 HydrophobicContact CD1-CD1 3.54Å; L30-L34 HydrophobicContact CD1-CG 3.87Å; L30-L34 HydrophobicContact CD2-CD1 4.18Å; L30-L34 HydrophobicContact CG-CD1 3.8Å; L30-L34 HydrophobicContact CG-CG 4.26Å; L30-L34 PolarHBondContact O-N 3.5Å; L30-L102 HydrophobicContact CD1-CD1 3.65Å; L30-F304 HydrophobicContact CB-CD2 4.25Å; L30-F304 HydrophobicContact CB-CE2 4.28Å; L30-F304 HydrophobicContact CD2-CD2 3.77Å; L30-F304 HydrophobicContact CD2-CE2 4.3Å; L30-F304 HydrophobicContact CG-CD2 3.81Å; L30-F304 HydrophobicContact CG-CE2 4.33Å; L30-F307 HydrophobicContact CD1-CD2 4.49Å; L30-F307 HydrophobicContact CD2-CB 3.59Å; L30-F307 HydrophobicContact CD2-CD1 4.4Å; L30-F307 HydrophobicContact CD2-CD2 3.85Å; L30-F307 HydrophobicContact CD2-CG 3.71Å |
| 31 | S | 97 | Very high | 94 | Very high | 37 Ų | 37 | 50.1 Ų | 50.1 | 26% | 0.259 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 178.3 | 73.5 | 0 | 0 | 0 | 0 | 111.9 | E27 E28 S29 I33 L35 | E27-S31 WeakPolarHBondContact O-CB 3.16Å; E27-S31 PolarHBondContact O-N 2.82Å; E27-S31 PolarHBondContact O-OG 3.4Å; E27-S31 VanDerWaalsContact O-OG 3.12Å; E28-S31 PolarHBondContact O-N 2.72Å; E28-S31 PolarHBondContact O-OG 3.02Å; S29-S31 PolarHBondContact O-N 3.33Å; S31-I33 PolarHBondContact O-N 3.14Å; S31-L35 WeakPolarHBondContact O-CA 3.18Å; S31-L35 VanDerWaalsContact O-CB 3.3Å; S31-L35 WeakPolarHBondContact O-CB 3.22Å; S31-L35 PolarHBondContact O-N 2.73Å |
| 32 | S | 95.9 | Very high | 94.9 | Very high | 72 Ų | 72 | 51.8 Ų | 51.8 | 50% | 0.503 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.9 | -18.6 | 178.3 | 76.5 | 0 | 0 | 0 | 0 | 113.4 | E28 S29 L30 R36 | E28-S32 PolarHBondContact O-N 2.72Å; S29-S32 PolarHBondContact O-N 2.91Å; S29-S32 PolarHBondContact O-OG 3.32Å; L30-S32 VanDerWaalsContact C-N 3.31Å; L30-S32 PolarHBondContact O-N 3.06Å; S32-R36 WeakPolarHBondContact O-CD 3.31Å; S32-R36 WeakPolarHBondContact O-CG 3.29Å |
| 33 | I | 96.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -95.5 | -56.6 | 174.6 | -57.9 | 171.6 | 0 | 0 | 0 | 110.4 | V9 I11 S29 L30 S31 L102 P106 L120 | V9-I33 HydrophobicContact CB-CD1 4.2Å; V9-I33 HydrophobicContact CG1-CD1 4.39Å; V9-I33 HydrophobicContact CG2-CD1 4.32Å; I11-I33 HydrophobicContact CD1-CD1 4.23Å; S29-I33 PolarHBondContact O-N 3.22Å; L30-I33 PolarHBondContact O-N 3Å; S31-I33 PolarHBondContact O-N 3.14Å; I33-L102 HydrophobicContact CD1-CB 4.32Å; I33-P106 HydrophobicContact CG2-CG 3.78Å; I33-L120 HydrophobicContact CG2-CD2 4.3Å |
| 34 | L | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -83.5 | -23.1 | -167.9 | -64.9 | -173.8 | 0 | 0 | 0 | 114.6 | L30 R40 L120 C300 L303 F304 F307 | L30-L34 HydrophobicContact CD1-CD1 3.54Å; L30-L34 HydrophobicContact CD1-CG 3.87Å; L30-L34 HydrophobicContact CD2-CD1 4.18Å; L30-L34 HydrophobicContact CG-CD1 3.8Å; L30-L34 HydrophobicContact CG-CG 4.26Å; L30-L34 PolarHBondContact O-N 3.5Å; L34-R40 VanDerWaalsContact O-CA 3.31Å; L34-R40 WeakPolarHBondContact O-CA 3.3Å; L34-L120 HydrophobicContact CD2-CD1 3.45Å; L34-L120 VanDerWaalsContact CD2-CD1 3.45Å; L34-C300 HydrophobicContact CB-CB 4.42Å; L34-C300 HydrophobicContact CD2-CB 4.18Å; L34-C300 WeakPolarHBondContact O-CB 3.34Å; L34-L303 HydrophobicContact CD1-CB 4.35Å; L34-L303 HydrophobicContact CD1-CD2 4.26Å; L34-L303 HydrophobicContact CD1-CG 4.35Å; L34-L303 HydrophobicContact CD2-CD2 4.41Å; L34-F304 HydrophobicContact CB-CB 4.22Å; L34-F304 HydrophobicContact CD1-CB 3.92Å; L34-F307 HydrophobicContact CD1-CD2 4.47Å |
| 35 | L | 97.3 | Very high | 96.6 | Very high | 60 Ų | 60 | 49.2 Ų | 49.2 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 8.9 | -176.8 | -55.3 | -173.5 | 0 | 0 | 0 | 113.5 | S31 R301 F304 | S31-L35 WeakPolarHBondContact O-CA 3.18Å; S31-L35 VanDerWaalsContact O-CB 3.3Å; S31-L35 WeakPolarHBondContact O-CB 3.22Å; S31-L35 PolarHBondContact O-N 2.73Å; L35-R301 HydrophobicContact CD2-CB 4.12Å; L35-R301 HydrophobicContact CD2-CG 3.96Å; L35-F304 HydrophobicContact CD1-CD1 4.14Å; L35-F304 HydrophobicContact CD1-CE1 4.13Å; L35-F304 HydrophobicContact CD1-CG 4.34Å; L35-F304 HydrophobicContact CD1-CZ 4.34Å; L35-F304 HydrophobicContact CD2-CB 4.15Å; L35-F304 HydrophobicContact CD2-CD1 4.38Å; L35-F304 HydrophobicContact CD2-CG 4.23Å; L35-F304 HydrophobicContact CG-CG 4.33Å |
| 36 | R | 95.6 | Very high | 96.8 | Very high | 57 Ų | 57 | 48.2 Ų | 48.2 | 22% | 0.215 | 25% | 0.25 | C | S | . | . | trans | -57.4 | 139.7 | 173.2 | -65.3 | 170.8 | 43.4 | 171.8 | -8 | 111 | S32 D38 V39 R40 E105 | S32-R36 WeakPolarHBondContact O-CD 3.31Å; S32-R36 WeakPolarHBondContact O-CG 3.29Å; R36-D38 WeakPolarHBondContact CB-OD1 3.3Å; R36-D38 IonicContact CZ-OD1 2.68Å; R36-D38 IonicContact CZ-OD2 2.72Å; R36-D38 IonicContact NE-OD1 3.77Å; R36-D38 PolarHBondContact NE-OD1 3.25Å; R36-D38 IonicContact NE-OD2 3.56Å; R36-D38 IonicContact NH2-OD1 3.64Å; R36-D38 IonicContact NH2-OD2 3.78Å; R36-D38 PolarHBondContact NH2-OD2 3.29Å; R36-D38 PolarHBondContact O-N 3.45Å; R36-D38 VanDerWaalsContact O-N 3.13Å; R36-V39 HydrophobicContact CB-CB 4.16Å; R36-V39 HydrophobicContact CB-CG2 4.2Å; R36-V39 PolarHBondContact O-N 3.26Å; R36-R40 WeakPolarHBondContact O-CB 3.02Å; R36-R40 PolarHBondContact O-N 2.85Å; R36-E105 IonicContact CZ-OE2 4Å; R36-E105 IonicContact NH1-OE1 3.93Å; R36-E105 PolarHBondContact NH1-OE1 3.29Å; R36-E105 IonicContact NH1-OE2 3.02Å; R36-E105 PolarHBondContact NH1-OE2 3Å; R36-E105 IonicContact NH2-OE2 2.62Å | ||
| 37 | P | 96.2 | Very high | 97 | Very high | 109 Ų | 109 | 45.8 Ų | 45.8 | 71% | 0.708 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -32 | -175.2 | -27.5 | 35.2 | 0 | 0 | 0 | 115.2 | ||
| 38 | D | 96.2 | Very high | 97.1 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 36% | 0.358 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -11.7 | 179.6 | 58.6 | -37.9 | 0 | 0 | 0 | 114.1 | R36 K42 F108 | R36-D38 WeakPolarHBondContact CB-OD1 3.3Å; R36-D38 IonicContact CZ-OD1 2.68Å; R36-D38 IonicContact CZ-OD2 2.72Å; R36-D38 IonicContact NE-OD1 3.77Å; R36-D38 PolarHBondContact NE-OD1 3.25Å; R36-D38 IonicContact NE-OD2 3.56Å; R36-D38 IonicContact NH2-OD1 3.64Å; R36-D38 IonicContact NH2-OD2 3.78Å; R36-D38 PolarHBondContact NH2-OD2 3.29Å; R36-D38 PolarHBondContact O-N 3.45Å; R36-D38 VanDerWaalsContact O-N 3.13Å; D38-K42 WeakPolarHBondContact O-CE 3.2Å; D38-K42 PolarHBondContact O-NZ 3.26Å; D38-F108 HydrophobicContact CB-CZ 4.45Å; D38-F108 WeakPolarHBondContact O-CE1 3.27Å |
| 39 | V | 96.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -42.6 | -171 | 171.6 | 0 | 0 | 0 | 0 | 112 | R36 D41 K42 P106 F108 V118 C300 | R36-V39 HydrophobicContact CB-CB 4.16Å; R36-V39 HydrophobicContact CB-CG2 4.2Å; R36-V39 PolarHBondContact O-N 3.26Å; V39-D41 PolarHBondContact O-N 3.27Å; V39-K42 WeakPolarHBondContact O-CB 3.06Å; V39-K42 PolarHBondContact O-N 2.81Å; V39-P106 HydrophobicContact CG1-CB 4.42Å; V39-P106 HydrophobicContact CG1-CG 4.25Å; V39-P106 HydrophobicContact CG2-CB 4.17Å; V39-P106 HydrophobicContact CG2-CG 4Å; V39-F108 HydrophobicContact CG2-CE1 4.11Å; V39-F108 HydrophobicContact CG2-CZ 3.73Å; V39-V118 HydrophobicContact CG1-CG1 4.17Å; V39-V118 HydrophobicContact CG1-CG2 4.09Å; V39-C300 HydrophobicContact CG1-CB 3.79Å; V39-C300 WeakPolarHBondContact CG1-SG 3.36Å |
| 40 | R | 97 | Very high | 97 | Very high | 98 Ų | 98 | 33 Ų | 33 | 37% | 0.37 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -32.7 | -164 | 71 | -175.4 | -171.7 | -179.4 | -1.4 | 115.7 | L34 R36 R301 | L34-R40 VanDerWaalsContact O-CA 3.31Å; L34-R40 WeakPolarHBondContact O-CA 3.3Å; R36-R40 WeakPolarHBondContact O-CB 3.02Å; R36-R40 PolarHBondContact O-N 2.85Å; R40-R301 HydrophobicContact CB-CB 4.43Å; R40-R301 VanDerWaalsContact NE-NH2 3.19Å; R40-R301 VanDerWaalsContact O-CB 3.25Å; R40-R301 WeakPolarHBondContact O-CB 3.37Å; R40-R301 PolarHBondContact O-N 3.48Å |
| 41 | D | 97.4 | Very high | 96.7 | Very high | 93 Ų | 93 | 33.1 Ų | 33.1 | 50% | 0.497 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 0.5 | -174.2 | -61.7 | -42.5 | 0 | 0 | 0 | 112.5 | V39 R301 | V39-D41 PolarHBondContact O-N 3.27Å; D41-R301 IonicContact OD1-CZ 3.65Å; D41-R301 VanDerWaalsContact OD1-CZ 3.23Å; D41-R301 IonicContact OD1-NE 2.91Å; D41-R301 IonicContact OD1-NH1 3.62Å; D41-R301 IonicContact OD1-NH2 2.64Å; D41-R301 PolarHBondContact OD1-NH2 3.18Å; D41-R301 IonicContact OD2-NH2 2.82Å; D41-R301 PolarHBondContact OD2-NH2 2.86Å |
| 42 | K | 98 | Very high | 96.3 | Very high | 50 Ų | 50 | 32.8 Ų | 32.8 | 22% | 0.217 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -90.9 | 147.2 | 177.1 | -63.4 | -178.6 | -170.2 | 174 | 0 | 111 | D38 V39 F108 E116 V118 T299 C300 | D38-K42 WeakPolarHBondContact O-CE 3.2Å; D38-K42 PolarHBondContact O-NZ 3.26Å; V39-K42 WeakPolarHBondContact O-CB 3.06Å; V39-K42 PolarHBondContact O-N 2.81Å; K42-F108 HydrophobicContact CD-CD1 3.85Å; K42-F108 HydrophobicContact CD-CE1 3.74Å; K42-E116 HydrophobicContact CD-CG 4.5Å; K42-E116 WeakPolarHBondContact CE-OE1 3.35Å; K42-E116 IonicContact NZ-OE1 2.73Å; K42-E116 PolarHBondContact NZ-OE1 2.95Å; K42-V118 HydrophobicContact CB-CG2 3.73Å; K42-V118 HydrophobicContact CD-CG2 3.89Å; K42-V118 HydrophobicContact CG-CG2 4.4Å; K42-T299 CarbonylContact O-C 3.56Å; K42-T299 VanDerWaalsContact O-CA 3.26Å; K42-T299 WeakPolarHBondContact O-CA 3.46Å; K42-C300 PolarHBondContact O-N 3.37Å |
| 43 | K | 98.3 | Very high | 95.7 | Very high | 45 Ų | 45 | 32.4 Ų | 32.4 | 20% | 0.196 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -63.6 | 148.1 | 170.9 | -63.2 | -176.8 | -169.9 | 165 | 0 | 110.5 | E115 V117 V118 V290 E297 V298 | K43-E115 WeakPolarHBondContact CD-OE1 3.38Å; K43-E115 WeakPolarHBondContact CE-OE1 3.47Å; K43-E115 IonicContact NZ-OE1 2.75Å; K43-E115 PolarHBondContact NZ-OE1 3.39Å; K43-E115 IonicContact NZ-OE2 3.46Å; K43-E115 PolarHBondContact NZ-OE2 3.24Å; K43-V117 HydrophobicContact CB-CG1 4.17Å; K43-V117 WeakPolarHBondContact O-CA 3.38Å; K43-V118 PolarHBondContact O-N 2.76Å; K43-V290 HydrophobicContact CB-CG1 3.86Å; K43-V290 HydrophobicContact CD-CG1 4.06Å; K43-V290 HydrophobicContact CG-CG1 4.44Å; K43-E297 HydrophobicContact CD-CB 4.03Å; K43-E297 WeakPolarHBondContact CE-OE2 3.34Å; K43-E297 IonicContact NZ-OE2 2.61Å; K43-E297 PolarHBondContact NZ-OE2 3.13Å; K43-V298 WeakPolarHBondContact CA-O 3.46Å |
| 44 | V | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.6 | -171.6 | 73.1 | 0 | 0 | 0 | 0 | 112.4 | V46 V118 L120 K291 V298 L303 | V44-V46 HydrophobicContact CG1-CG2 4.37Å; V44-V46 HydrophobicContact CG2-CG2 3.79Å; V44-V118 CarbonylContact C-O 3.59Å; V44-V118 WeakPolarHBondContact CA-O 3.41Å; V44-L120 HydrophobicContact CG2-CD1 3.64Å; V44-L120 HydrophobicContact CG2-CG 4.03Å; V44-K291 HydrophobicContact CG1-CB 3.92Å; V44-K291 WeakPolarHBondContact O-CB 3.45Å; V44-K291 PolarHBondContact O-N 2.88Å; V44-V298 HydrophobicContact CG1-CG1 4.43Å; V44-V298 WeakPolarHBondContact CG1-O 3.46Å; V44-V298 PolarHBondContact N-O 3.14Å; V44-L303 HydrophobicContact CG1-CB 4.23Å; V44-L303 HydrophobicContact CG1-CD2 3.88Å; V44-L303 HydrophobicContact CG1-CG 4.46Å; V44-L303 HydrophobicContact CG2-CD2 4.02Å |
| 45 | V | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 125.7 | 169.5 | 176.9 | 0 | 0 | 0 | 0 | 106.4 | V47 V117 V118 V119 L120 L288 V289 V290 | V45-V47 HydrophobicContact CG1-CG2 4.41Å; V45-V117 HydrophobicContact CG2-CB 4.42Å; V45-V117 HydrophobicContact CG2-CG2 4Å; V45-V118 PolarHBondContact N-O 3.5Å; V45-V119 HydrophobicContact CB-CG2 4.18Å; V45-V119 HydrophobicContact CG1-CG1 4.47Å; V45-V119 CarbonylContact O-C 3.49Å; V45-V119 WeakPolarHBondContact O-CA 3.46Å; V45-L120 PolarHBondContact O-N 2.88Å; V45-L288 HydrophobicContact CG1-CB 4.29Å; V45-L288 HydrophobicContact CG1-CD2 4.04Å; V45-L288 HydrophobicContact CG2-CB 4.18Å; V45-V289 WeakPolarHBondContact CG1-O 3.42Å; V45-V290 HydrophobicContact CG2-CG2 4.35Å |
| 46 | V | 98.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 115.9 | -176.8 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | V44 L120 M122 S149 T150 L303 | V44-V46 HydrophobicContact CG1-CG2 4.37Å; V44-V46 HydrophobicContact CG2-CG2 3.79Å; V46-L120 HydrophobicContact CG2-CB 4.34Å; V46-L120 HydrophobicContact CG2-CD1 4.29Å; V46-M122 HydrophobicContact CG1-CE 4.18Å; V46-S149 PolarHBondContact N-OG 3.49Å; V46-S149 VanDerWaalsContact N-OG 3.13Å; V46-S149 PolarHBondContact O-N 3.24Å; V46-S149 PolarHBondContact O-OG 2.93Å; V46-T150 PolarHBondContact O-N 3.38Å; V46-T150 VanDerWaalsContact O-N 3.09Å; V46-L303 HydrophobicContact CG2-CD2 3.69Å |
| 47 | V | 98.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 114.1 | 177.1 | -175.7 | 0 | 0 | 0 | 0 | 109 | V45 F64 L120 L121 M122 T150 V152 L283 | V45-V47 HydrophobicContact CG1-CG2 4.41Å; V47-F64 HydrophobicContact CG1-CD2 4.49Å; V47-F64 HydrophobicContact CG1-CE2 4.26Å; V47-L120 PolarHBondContact N-O 2.92Å; V47-L121 HydrophobicContact CB-CD2 3.95Å; V47-M122 PolarHBondContact O-N 2.91Å; V47-T150 WeakPolarHBondContact CA-O 3.27Å; V47-V152 HydrophobicContact CG1-CG2 4.42Å; V47-L283 HydrophobicContact CB-CD2 4.47Å; V47-L283 HydrophobicContact CG2-CD2 3.8Å |
| 48 | S | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 141.3 | -179.3 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | M122 T150 Q151 V152 | S48-M122 WeakPolarHBondContact CA-O 3.05Å; S48-M122 WeakPolarHBondContact OG-CE 3.49Å; S48-T150 PolarHBondContact N-O 3.24Å; S48-Q151 VanDerWaalsContact CB-OE1 3.23Å; S48-Q151 PolarHBondContact O-NE2 2.88Å; S48-Q151 PolarHBondContact OG-NE2 3.05Å; S48-Q151 VanDerWaalsContact OG-NE2 3.11Å; S48-Q151 PolarHBondContact OG-OE1 3.1Å; S48-V152 WeakPolarHBondContact O-CB 3.41Å; S48-V152 PolarHBondContact O-N 2.91Å |
| 49 | V | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 118.2 | 167.4 | -172 | 0 | 0 | 0 | 0 | 109 | K57 L61 F64 M122 T124 V152 N154 | V49-K57 HydrophobicContact CB-CB 4.49Å; V49-K57 HydrophobicContact CG1-CB 3.81Å; V49-K57 HydrophobicContact CG1-CD 4.08Å; V49-K57 HydrophobicContact CG1-CG 3.89Å; V49-L61 HydrophobicContact CB-CD1 4.34Å; V49-L61 HydrophobicContact CB-CD2 4.42Å; V49-L61 HydrophobicContact CB-CG 4.28Å; V49-L61 HydrophobicContact CG2-CD1 4.31Å; V49-L61 HydrophobicContact CG2-CD2 3.55Å; V49-L61 HydrophobicContact CG2-CG 3.78Å; V49-F64 HydrophobicContact CG2-CE2 4.11Å; V49-M122 PolarHBondContact N-O 2.83Å; V49-M122 VanDerWaalsContact N-O 3.1Å; V49-T124 PolarHBondContact O-OG1 2.74Å; V49-V152 HydrophobicContact CG1-CB 4.44Å; V49-V152 HydrophobicContact CG1-CG1 4.43Å; V49-V152 HydrophobicContact CG2-CB 4.13Å; V49-V152 HydrophobicContact CG2-CG2 4.48Å; V49-N154 HydrophobicContact CG1-CB 4.06Å |
| 50 | A | 93.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 2% | 0.017 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 157.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T124 F141 V152 Y153 N154 | A50-T124 VanDerWaalsContact CA-OG1 3.22Å; A50-T124 WeakPolarHBondContact CA-OG1 3.26Å; A50-T124 HydrophobicContact CB-CG2 4.43Å; A50-T124 WeakPolarHBondContact CB-OG1 3.49Å; A50-F141 HydrophobicContact CB-CD2 3.75Å; A50-F141 HydrophobicContact CB-CE2 3.83Å; A50-V152 PolarHBondContact N-O 2.89Å; A50-Y153 CarbonylContact O-C 3.56Å; A50-Y153 WeakPolarHBondContact O-CA 3.49Å; A50-N154 PolarHBondContact O-N 2.97Å |
| 51 | G | 90.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.6 | -175.2 | -176 | 0 | 0 | 0 | 0 | 0 | 111.4 | K57 G126 S127 | G51-K57 PolarHBondContact O-NZ 2.83Å; G51-G126 VanDerWaalsContact O-CA 3.29Å; G51-G126 WeakPolarHBondContact O-CA 3.48Å; G51-S127 PolarHBondContact O-N 3.03Å; G51-S127 VanDerWaalsContact O-N 3.08Å; G51-S127 PolarHBondContact O-OG 3.01Å |
| 52 | A | 87.1 | Confident | 93.5 | Very high | 31 Ų | 31 | 17.8 Ų | 17.8 | 26% | 0.256 | 9% | 0.092 | S | C | . | . | B | Isolated β-bridge | trans | -56.7 | 152 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q55 K57 S127 | A52-Q55 HydrophobicContact CB-CG 3.93Å; A52-K57 PolarHBondContact O-NZ 3.34Å; A52-S127 WeakPolarHBondContact CA-O 3.48Å; A52-S127 PolarHBondContact N-OG 2.97Å |
| 53 | F | 84.3 | Confident | 93.4 | Very high | 63 Ų | 63 | 15.4 Ų | 15.4 | 28% | 0.276 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 150.9 | 175.1 | 79 | -67.6 | 0 | 0 | 0 | 112.1 | Q55 S93 S127 F128 D129 | F53-Q55 PolarHBondContact O-N 3.04Å; F53-S93 WeakPolarHBondContact CE2-O 3.47Å; F53-S127 WeakPolarHBondContact CD1-O 3.41Å; F53-S127 PolarHBondContact N-O 3.38Å; F53-S127 VanDerWaalsContact N-O 3.08Å; F53-F128 WeakPolarHBondContact CD1-O 3.25Å; F53-F128 WeakPolarHBondContact CE1-O 3.3Å; F53-D129 HydrophobicContact CB-CB 4.28Å; F53-D129 HydrophobicContact CD1-CB 4Å; F53-D129 HydrophobicContact CD2-CB 3.97Å; F53-D129 HydrophobicContact CE1-CB 4.37Å; F53-D129 HydrophobicContact CE2-CB 4.36Å; F53-D129 HydrophobicContact CG-CB 3.82Å |
| 54 | R | 84.6 | Confident | 93.4 | Very high | 67 Ų | 67 | 13.3 Ų | 13.3 | 25% | 0.253 | 7% | 0.072 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 20.1 | 179.8 | -59.3 | -56.8 | 89.3 | -171.7 | -4 | 116.5 | R90 G92 E94 | R54-R90 PolarHBondContact NH1-O 3.25Å; R54-G92 WeakPolarHBondContact CD-O 3.41Å; R54-E94 WeakPolarHBondContact CD-O 3.26Å; R54-E94 PolarHBondContact NE-O 2.94Å |
| 55 | Q | 87.6 | Confident | 93.2 | Very high | 56 Ų | 56 | 13.4 Ų | 13.4 | 26% | 0.262 | 7% | 0.073 | S | C | . | . | S | Bend | trans | -96.6 | 23.2 | 176.1 | -59.8 | -61.1 | -12.7 | 0 | 0 | 114.6 | A52 F53 N154 H156 R195 | A52-Q55 HydrophobicContact CB-CG 3.93Å; F53-Q55 PolarHBondContact O-N 3.04Å; Q55-N154 WeakPolarHBondContact CB-ND2 3.44Å; Q55-N154 PolarHBondContact O-ND2 2.69Å; Q55-H156 HydrophobicContact CG-CB 4.39Å; Q55-H156 VanDerWaalsContact OE1-CB 3.25Å; Q55-H156 PolarHBondContact OE1-ND1 3.09Å; Q55-R195 PolarHBondContact O-NH1 3.15Å |
| 56 | G | 89.1 | Confident | 93.1 | Very high | 28 Ų | 28 | 15 Ų | 15 | 29% | 0.289 | 8% | 0.079 | S | C | . | . | S | Bend | trans | 67.8 | 37.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L60 R195 | G56-L60 PolarHBondContact O-N 2.9Å; G56-R195 PolarHBondContact O-NH1 3.26Å |
| 57 | K | 92.3 | Very high | 93 | Very high | 10 Ų | 10 | 15.5 Ų | 15.5 | 4% | 0.043 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.8 | -56.4 | 176.4 | -60.4 | -166.9 | -57.2 | -70.8 | 0 | 112.3 | V49 G51 A52 F59 L60 L61 T124 N154 | V49-K57 HydrophobicContact CB-CB 4.49Å; V49-K57 HydrophobicContact CG1-CB 3.81Å; V49-K57 HydrophobicContact CG1-CD 4.08Å; V49-K57 HydrophobicContact CG1-CG 3.89Å; G51-K57 PolarHBondContact O-NZ 2.83Å; A52-K57 PolarHBondContact O-NZ 3.34Å; K57-F59 VanDerWaalsContact C-N 3.31Å; K57-F59 PolarHBondContact O-N 3.42Å; K57-L60 WeakPolarHBondContact O-CB 3.33Å; K57-L60 PolarHBondContact O-N 3.38Å; K57-L61 PolarHBondContact O-N 2.63Å; K57-T124 WeakPolarHBondContact CE-O 3.31Å; K57-N154 HydrophobicContact CG-CB 4.18Å |
| 58 | S | 92 | Very high | 92.8 | Very high | 6 Ų | 6 | 15.9 Ų | 15.9 | 4% | 0.042 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.1 | -38.3 | 179.6 | -37.6 | 0 | 0 | 0 | 0 | 111.6 | L60 L61 D62 P88 D123 | S58-L60 VanDerWaalsContact C-N 3.31Å; S58-L60 PolarHBondContact O-N 3.33Å; S58-L61 PolarHBondContact O-N 2.62Å; S58-D62 PolarHBondContact O-N 2.65Å; S58-P88 WeakPolarHBondContact CB-O 3.44Å; S58-D123 WeakPolarHBondContact CB-OD2 3.49Å; S58-D123 PolarHBondContact OG-OD2 3.07Å |
| 59 | F | 92.9 | Very high | 92.6 | Very high | 11 Ų | 11 | 19.7 Ų | 19.7 | 5% | 0.048 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.7 | -40.6 | 170.7 | 171.7 | -99.7 | 0 | 0 | 0 | 113 | K57 F63 L84 W89 V254 F260 I267 F271 | K57-F59 VanDerWaalsContact C-N 3.31Å; K57-F59 PolarHBondContact O-N 3.42Å; F59-F63 HydrophobicContact CD1-CE2 4.36Å; F59-F63 HydrophobicContact CD2-CE2 4.34Å; F59-F63 HydrophobicContact CE1-CD2 4.42Å; F59-F63 AromaticContact CE1-CE2 3.8Å; F59-F63 HydrophobicContact CE1-CE2 3.8Å; F59-F63 AromaticContact CE2-CE2 3.76Å; F59-F63 HydrophobicContact CE2-CE2 3.76Å; F59-F63 HydrophobicContact CE2-CZ 4.4Å; F59-F63 HydrophobicContact CZ-CD2 4.49Å; F59-F63 AromaticContact CZ-CE2 3.5Å; F59-F63 HydrophobicContact CZ-CE2 3.5Å; F59-F63 VanDerWaalsContact CZ-CE2 3.5Å; F59-F63 HydrophobicContact CZ-CZ 4.22Å; F59-F63 WeakPolarHBondContact O-CD2 2.98Å; F59-L84 HydrophobicContact CD2-CD2 3.64Å; F59-L84 HydrophobicContact CE2-CD2 3.82Å; F59-L84 HydrophobicContact CG-CD2 4.45Å; F59-W89 HydrophobicContact CB-CD2 4.34Å; F59-W89 HydrophobicContact CB-CE3 4.4Å; F59-W89 HydrophobicContact CB-CG 4.49Å; F59-W89 HydrophobicContact CD2-CD2 4.3Å; F59-W89 HydrophobicContact CD2-CE3 4.18Å; F59-W89 HydrophobicContact CD2-CH2 4.08Å; F59-W89 HydrophobicContact CD2-CZ2 4.17Å; F59-W89 HydrophobicContact CD2-CZ3 4.07Å; F59-W89 HydrophobicContact CE2-CH2 4.43Å; F59-V254 HydrophobicContact CZ-CG1 4.28Å; F59-F260 HydrophobicContact CD2-CE1 4.37Å; F59-F260 AromaticContact CE2-CE1 3.67Å; F59-F260 HydrophobicContact CE2-CE1 3.67Å; F59-F260 AromaticContact CE2-CZ 3.91Å; F59-F260 HydrophobicContact CE2-CZ 3.91Å; F59-F260 HydrophobicContact CZ-CE1 4.36Å; F59-F260 HydrophobicContact CZ-CZ 4.37Å; F59-I267 HydrophobicContact CZ-CD1 4.01Å; F59-F271 HydrophobicContact CE1-CE1 4.18Å; F59-F271 HydrophobicContact CE1-CZ 4.05Å |
| 60 | L | 94.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.3 | -43.3 | 176.5 | 178.9 | 69.8 | 0 | 0 | 0 | 111.8 | G56 K57 S58 D62 F63 F64 L193 L275 L278 | G56-L60 PolarHBondContact O-N 2.9Å; K57-L60 WeakPolarHBondContact O-CB 3.33Å; K57-L60 PolarHBondContact O-N 3.38Å; S58-L60 VanDerWaalsContact C-N 3.31Å; S58-L60 PolarHBondContact O-N 3.33Å; L60-D62 PolarHBondContact O-N 3.09Å; L60-F63 WeakPolarHBondContact O-CB 3.4Å; L60-F63 PolarHBondContact O-N 2.95Å; L60-F64 HydrophobicContact CD1-CE1 3.73Å; L60-F64 HydrophobicContact CD1-CZ 4.11Å; L60-F64 HydrophobicContact CD2-CE1 4.24Å; L60-F64 HydrophobicContact CD2-CE2 4.44Å; L60-F64 HydrophobicContact CD2-CZ 3.74Å; L60-F64 HydrophobicContact CG-CD1 4.44Å; L60-F64 HydrophobicContact CG-CE1 3.69Å; L60-F64 HydrophobicContact CG-CE2 4.39Å; L60-F64 HydrophobicContact CG-CZ 3.65Å; L60-F64 WeakPolarHBondContact O-CD1 3.46Å; L60-F64 PolarHBondContact O-N 3.16Å; L60-L193 HydrophobicContact CD2-CD2 3.23Å; L60-L275 HydrophobicContact CD1-CD1 3.99Å; L60-L278 HydrophobicContact CD1-CD2 3.9Å |
| 61 | L | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.1 | -33.4 | 178 | -77.6 | 172.1 | 0 | 0 | 0 | 112.5 | V49 K57 S58 F63 F64 L65 F87 L121 D123 | V49-L61 HydrophobicContact CB-CD1 4.34Å; V49-L61 HydrophobicContact CB-CD2 4.42Å; V49-L61 HydrophobicContact CB-CG 4.28Å; V49-L61 HydrophobicContact CG2-CD1 4.31Å; V49-L61 HydrophobicContact CG2-CD2 3.55Å; V49-L61 HydrophobicContact CG2-CG 3.78Å; K57-L61 PolarHBondContact O-N 2.63Å; S58-L61 PolarHBondContact O-N 2.62Å; L61-F63 VanDerWaalsContact C-N 3.29Å; L61-F63 PolarHBondContact O-N 3.42Å; L61-F64 HydrophobicContact CD2-CD2 3.81Å; L61-F64 HydrophobicContact CD2-CE2 4.29Å; L61-F64 CarbonylContact O-C 3.59Å; L61-F64 WeakPolarHBondContact O-CA 3.43Å; L61-F64 VanDerWaalsContact O-CB 3.26Å; L61-F64 WeakPolarHBondContact O-CB 3.26Å; L61-F64 PolarHBondContact O-N 2.98Å; L61-L65 PolarHBondContact O-N 3.4Å; L61-F87 HydrophobicContact CB-CD2 3.69Å; L61-F87 HydrophobicContact CB-CE2 3.99Å; L61-F87 HydrophobicContact CD1-CD2 4.2Å; L61-F87 HydrophobicContact CD1-CE2 4.22Å; L61-L121 HydrophobicContact CD2-CB 4.3Å; L61-L121 HydrophobicContact CD2-CD1 4.47Å; L61-D123 HydrophobicContact CD1-CB 3.34Å |
| 62 | D | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.7 | -28.8 | 176.5 | -73.7 | 2.7 | 0 | 0 | 0 | 113.1 | S58 L60 F64 L65 R66 L84 G86 F87 W89 | S58-D62 PolarHBondContact O-N 2.65Å; L60-D62 PolarHBondContact O-N 3.09Å; D62-F64 VanDerWaalsContact C-N 3.34Å; D62-L65 WeakPolarHBondContact O-CB 3.47Å; D62-L65 PolarHBondContact O-N 3.21Å; D62-R66 WeakPolarHBondContact O-CG 3.45Å; D62-R66 PolarHBondContact O-N 3.44Å; D62-L84 HydrophobicContact CB-CD1 3.53Å; D62-L84 HydrophobicContact CB-CD2 3.68Å; D62-L84 HydrophobicContact CB-CG 3.38Å; D62-G86 VanDerWaalsContact OD1-CA 3.27Å; D62-G86 WeakPolarHBondContact OD1-CA 3.47Å; D62-G86 PolarHBondContact OD2-N 2.96Å; D62-F87 PolarHBondContact OD1-N 3.46Å; D62-W89 PolarHBondContact OD2-NE1 3.39Å |
| 63 | F | 96.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.7 | -32.3 | 169.4 | -74.3 | -70.8 | 0 | 0 | 0 | 112.1 | F59 L60 L61 L65 R66 Y67 W76 L77 L84 V264 I267 L275 | F59-F63 HydrophobicContact CD1-CE2 4.36Å; F59-F63 HydrophobicContact CD2-CE2 4.34Å; F59-F63 HydrophobicContact CE1-CD2 4.42Å; F59-F63 AromaticContact CE1-CE2 3.8Å; F59-F63 HydrophobicContact CE1-CE2 3.8Å; F59-F63 AromaticContact CE2-CE2 3.76Å; F59-F63 HydrophobicContact CE2-CE2 3.76Å; F59-F63 HydrophobicContact CE2-CZ 4.4Å; F59-F63 HydrophobicContact CZ-CD2 4.49Å; F59-F63 AromaticContact CZ-CE2 3.5Å; F59-F63 HydrophobicContact CZ-CE2 3.5Å; F59-F63 VanDerWaalsContact CZ-CE2 3.5Å; F59-F63 HydrophobicContact CZ-CZ 4.22Å; F59-F63 WeakPolarHBondContact O-CD2 2.98Å; L60-F63 WeakPolarHBondContact O-CB 3.4Å; L60-F63 PolarHBondContact O-N 2.95Å; L61-F63 VanDerWaalsContact C-N 3.29Å; L61-F63 PolarHBondContact O-N 3.42Å; F63-L65 VanDerWaalsContact C-N 3.34Å; F63-R66 PolarHBondContact O-N 2.99Å; F63-Y67 PolarHBondContact O-N 2.76Å; F63-W76 HydrophobicContact CB-CH2 4.37Å; F63-W76 HydrophobicContact CB-CZ3 4.21Å; F63-W76 HydrophobicContact CD1-CZ3 4.25Å; F63-W76 VanDerWaalsContact O-CZ3 3.31Å; F63-W76 WeakPolarHBondContact O-CZ3 3.42Å; F63-L77 HydrophobicContact CD1-CD2 3.93Å; F63-L77 HydrophobicContact CE1-CD2 4.05Å; F63-L84 HydrophobicContact CD1-CD1 4.15Å; F63-L84 HydrophobicContact CD2-CD2 3.98Å; F63-L84 HydrophobicContact CE1-CD1 4.11Å; F63-L84 HydrophobicContact CE2-CD1 4.47Å; F63-L84 HydrophobicContact CE2-CD2 3.59Å; F63-L84 HydrophobicContact CG-CD1 4.35Å; F63-L84 HydrophobicContact CZ-CD1 4.27Å; F63-L84 HydrophobicContact CZ-CD2 3.91Å; F63-V264 HydrophobicContact CE1-CG2 4Å; F63-I267 HydrophobicContact CE2-CD1 4.32Å; F63-I267 HydrophobicContact CZ-CD1 3.68Å; F63-L275 HydrophobicContact CB-CD1 4.24Å; F63-L275 HydrophobicContact CB-CD2 4.24Å; F63-L275 HydrophobicContact CD1-CD2 3.62Å; F63-L275 HydrophobicContact CD2-CD1 4.4Å; F63-L275 HydrophobicContact CD2-CD2 3.86Å; F63-L275 HydrophobicContact CE1-CD2 3.83Å; F63-L275 HydrophobicContact CE2-CD2 4.06Å; F63-L275 HydrophobicContact CG-CD1 4.34Å; F63-L275 HydrophobicContact CG-CD2 3.64Å; F63-L275 HydrophobicContact CG-CG 4.47Å; F63-L275 HydrophobicContact CZ-CD2 4.05Å |
| 64 | F | 96.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 171.9 | -64.6 | 2.2 | 0 | 0 | 0 | 110.4 | V47 V49 L60 L61 D62 Y67 L68 L121 V279 L282 L283 | V47-F64 HydrophobicContact CG1-CD2 4.49Å; V47-F64 HydrophobicContact CG1-CE2 4.26Å; V49-F64 HydrophobicContact CG2-CE2 4.11Å; L60-F64 HydrophobicContact CD1-CE1 3.73Å; L60-F64 HydrophobicContact CD1-CZ 4.11Å; L60-F64 HydrophobicContact CD2-CE1 4.24Å; L60-F64 HydrophobicContact CD2-CE2 4.44Å; L60-F64 HydrophobicContact CD2-CZ 3.74Å; L60-F64 HydrophobicContact CG-CD1 4.44Å; L60-F64 HydrophobicContact CG-CE1 3.69Å; L60-F64 HydrophobicContact CG-CE2 4.39Å; L60-F64 HydrophobicContact CG-CZ 3.65Å; L60-F64 WeakPolarHBondContact O-CD1 3.46Å; L60-F64 PolarHBondContact O-N 3.16Å; L61-F64 HydrophobicContact CD2-CD2 3.81Å; L61-F64 HydrophobicContact CD2-CE2 4.29Å; L61-F64 CarbonylContact O-C 3.59Å; L61-F64 WeakPolarHBondContact O-CA 3.43Å; L61-F64 VanDerWaalsContact O-CB 3.26Å; L61-F64 WeakPolarHBondContact O-CB 3.26Å; L61-F64 PolarHBondContact O-N 2.98Å; D62-F64 VanDerWaalsContact C-N 3.34Å; F64-Y67 PolarHBondContact O-N 3.24Å; F64-L68 WeakPolarHBondContact O-CG 3.11Å; F64-L68 PolarHBondContact O-N 2.93Å; F64-L121 HydrophobicContact CB-CD1 3.73Å; F64-L121 HydrophobicContact CB-CD2 4.35Å; F64-L121 HydrophobicContact CD2-CD2 4.34Å; F64-V279 HydrophobicContact CD1-CB 4.37Å; F64-V279 HydrophobicContact CD1-CG1 3.89Å; F64-V279 HydrophobicContact CD1-CG2 3.78Å; F64-V279 HydrophobicContact CE1-CG1 4.49Å; F64-V279 HydrophobicContact CE1-CG2 3.85Å; F64-L282 HydrophobicContact CE1-CD1 4.19Å; F64-L282 HydrophobicContact CE2-CD1 4.03Å; F64-L282 HydrophobicContact CZ-CD1 3.46Å; F64-L282 VanDerWaalsContact CZ-CD1 3.46Å; F64-L283 HydrophobicContact CB-CD1 3.51Å; F64-L283 HydrophobicContact CD1-CD1 4.13Å; F64-L283 HydrophobicContact CD2-CD1 4.19Å; F64-L283 HydrophobicContact CG-CD1 3.69Å |
| 65 | L | 95.5 | Very high | 92.6 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.1 | -47.9 | 172.8 | -71.7 | 173.8 | 0 | 0 | 0 | 111.6 | L61 D62 F63 Y67 L68 L69 F87 W103 F107 L121 | L61-L65 PolarHBondContact O-N 3.4Å; D62-L65 WeakPolarHBondContact O-CB 3.47Å; D62-L65 PolarHBondContact O-N 3.21Å; F63-L65 VanDerWaalsContact C-N 3.34Å; L65-Y67 VanDerWaalsContact C-N 3.31Å; L65-Y67 PolarHBondContact O-N 3.48Å; L65-L68 PolarHBondContact O-N 3.48Å; L65-L69 VanDerWaalsContact O-CB 3.31Å; L65-L69 WeakPolarHBondContact O-CB 3.3Å; L65-L69 VanDerWaalsContact O-CG 3.29Å; L65-L69 WeakPolarHBondContact O-CG 3.5Å; L65-L69 PolarHBondContact O-N 3.46Å; L65-F87 HydrophobicContact CD1-CD2 3.78Å; L65-F87 HydrophobicContact CD1-CE2 3.91Å; L65-F87 HydrophobicContact CG-CE2 4.29Å; L65-W103 HydrophobicContact CD1-CD2 3.98Å; L65-W103 HydrophobicContact CD1-CE3 3.78Å; L65-W103 HydrophobicContact CD1-CH2 3.85Å; L65-W103 HydrophobicContact CD1-CZ2 4Å; L65-W103 HydrophobicContact CD1-CZ3 3.73Å; L65-W103 HydrophobicContact CD2-CB 4.46Å; L65-W103 HydrophobicContact CD2-CD2 3.6Å; L65-W103 HydrophobicContact CD2-CE3 4.23Å; L65-W103 HydrophobicContact CD2-CG 3.69Å; L65-W103 HydrophobicContact CD2-CZ2 4.2Å; L65-W103 HydrophobicContact CG-CD2 4.47Å; L65-F107 HydrophobicContact CD2-CE2 3.88Å; L65-F107 HydrophobicContact CD2-CZ 3.62Å; L65-L121 HydrophobicContact CD2-CD1 3.66Å; L65-L121 HydrophobicContact CG-CD1 3.83Å |
| 66 | R | 95 | Very high | 93 | Very high | 34 Ų | 34 | 35 Ų | 35 | 13% | 0.128 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.9 | -45.9 | 175.4 | -76.4 | -173.5 | 178.6 | -170 | 6.6 | 112.1 | D62 F63 S70 W76 L77 T82 P83 L84 | D62-R66 WeakPolarHBondContact O-CG 3.45Å; D62-R66 PolarHBondContact O-N 3.44Å; F63-R66 PolarHBondContact O-N 2.99Å; R66-S70 WeakPolarHBondContact O-CB 3.45Å; R66-S70 PolarHBondContact O-N 3.25Å; R66-W76 HydrophobicContact CB-CE3 4.26Å; R66-W76 HydrophobicContact CB-CZ3 4.36Å; R66-L77 PolarHBondContact NH1-O 2.97Å; R66-L77 VanDerWaalsContact NH1-O 3.14Å; R66-T82 PolarHBondContact NH2-O 3.22Å; R66-P83 PolarHBondContact NH2-O 3.1Å; R66-L84 HydrophobicContact CG-CD1 4.18Å; R66-L84 VanDerWaalsContact NH2-CA 3.28Å |
| 67 | Y | 96.2 | Very high | 93.2 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 4% | 0.039 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -51 | 177 | 177.7 | -94.8 | 0 | 0 | 0 | 111.4 | F63 F64 L65 L69 S70 R73 W76 V279 P280 L283 | F63-Y67 PolarHBondContact O-N 2.76Å; F64-Y67 PolarHBondContact O-N 3.24Å; L65-Y67 VanDerWaalsContact C-N 3.31Å; L65-Y67 PolarHBondContact O-N 3.48Å; Y67-L69 PolarHBondContact O-N 3.06Å; Y67-S70 PolarHBondContact O-N 2.84Å; Y67-R73 PolarHBondContact O-NH1 3.2Å; Y67-W76 HydrophobicContact CD2-CB 3.98Å; Y67-W76 AromaticContact CD2-CD1 3.7Å; Y67-W76 AromaticContact CD2-CD2 3.72Å; Y67-W76 HydrophobicContact CD2-CD2 3.72Å; Y67-W76 AromaticContact CD2-CE2 4Å; Y67-W76 HydrophobicContact CD2-CE3 4.33Å; Y67-W76 AromaticContact CD2-CG 3.52Å; Y67-W76 HydrophobicContact CD2-CG 3.52Å; Y67-W76 AromaticContact CD2-NE1 3.95Å; Y67-W76 HydrophobicContact CE2-CG 4.3Å; Y67-W76 HydrophobicContact CG-CD2 4.36Å; Y67-W76 HydrophobicContact CG-CG 4.43Å; Y67-V279 HydrophobicContact CD1-CG1 4.13Å; Y67-V279 HydrophobicContact CD2-CG1 4.06Å; Y67-V279 HydrophobicContact CG-CG1 3.59Å; Y67-P280 HydrophobicContact CD2-CG 4.5Å; Y67-P280 HydrophobicContact CE2-CB 4.38Å; Y67-P280 HydrophobicContact CE2-CG 3.97Å; Y67-L283 HydrophobicContact CD1-CB 3.7Å; Y67-L283 HydrophobicContact CD1-CD1 4.11Å; Y67-L283 HydrophobicContact CE1-CB 3.66Å |
| 68 | L | 94.9 | Very high | 93.1 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.6 | -39.2 | -176.7 | -68.8 | 174.3 | 0 | 0 | 0 | 112.8 | F64 L65 S70 R73 F107 V119 L121 L283 | F64-L68 WeakPolarHBondContact O-CG 3.11Å; F64-L68 PolarHBondContact O-N 2.93Å; L65-L68 PolarHBondContact O-N 3.48Å; L68-S70 VanDerWaalsContact C-N 3.35Å; L68-R73 PolarHBondContact O-NH1 3.32Å; L68-F107 HydrophobicContact CB-CD1 3.7Å; L68-F107 HydrophobicContact CB-CD2 4.26Å; L68-F107 HydrophobicContact CB-CE1 3.79Å; L68-F107 HydrophobicContact CB-CE2 4.33Å; L68-F107 HydrophobicContact CB-CG 3.95Å; L68-F107 HydrophobicContact CB-CZ 4.11Å; L68-F107 HydrophobicContact CD1-CD2 3.57Å; L68-F107 HydrophobicContact CD1-CE2 3.77Å; L68-F107 HydrophobicContact CD1-CG 3.98Å; L68-F107 HydrophobicContact CD1-CZ 4.34Å; L68-F107 HydrophobicContact CG-CD2 4.47Å; L68-F107 HydrophobicContact CG-CG 4.44Å; L68-V119 HydrophobicContact CD1-CG1 4.29Å; L68-L121 HydrophobicContact CD1-CD1 3.91Å; L68-L121 HydrophobicContact CD1-CD2 4.05Å; L68-L121 HydrophobicContact CD1-CG 3.94Å; L68-L283 HydrophobicContact CD1-CD1 4.39Å; L68-L283 HydrophobicContact CD2-CB 4.39Å; L68-L283 HydrophobicContact CD2-CD1 4.4Å; L68-L283 HydrophobicContact CG-CD1 4.15Å |
| 69 | L | 93.1 | Very high | 93.1 | Very high | 81 Ų | 81 | 39.7 Ų | 39.7 | 42% | 0.424 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -73.6 | -22.1 | 177.1 | -70.9 | 167.6 | 0 | 0 | 0 | 113.7 | L65 Y67 S71 F107 | L65-L69 VanDerWaalsContact O-CB 3.31Å; L65-L69 WeakPolarHBondContact O-CB 3.3Å; L65-L69 VanDerWaalsContact O-CG 3.29Å; L65-L69 WeakPolarHBondContact O-CG 3.5Å; L65-L69 PolarHBondContact O-N 3.46Å; Y67-L69 PolarHBondContact O-N 3.06Å; L69-S71 PolarHBondContact O-N 3.12Å; L69-F107 HydrophobicContact CD2-CE1 3.75Å; L69-F107 HydrophobicContact CD2-CZ 4.49Å; L69-F107 HydrophobicContact CG-CE1 3.89Å; L69-F107 HydrophobicContact CG-CZ 4.42Å |
| 70 | S | 92.7 | Very high | 93.2 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 17% | 0.168 | 24% | 0.242 | C | C | . | . | trans | -71.2 | 127.8 | -178 | -172.3 | 0 | 0 | 0 | 0 | 112 | R66 Y67 L68 D72 R73 | R66-S70 WeakPolarHBondContact O-CB 3.45Å; R66-S70 PolarHBondContact O-N 3.25Å; Y67-S70 PolarHBondContact O-N 2.84Å; L68-S70 VanDerWaalsContact C-N 3.35Å; S70-D72 VanDerWaalsContact C-N 3.33Å; S70-D72 PolarHBondContact OG-N 2.92Å; S70-D72 VanDerWaalsContact OG-N 3.15Å; S70-D72 PolarHBondContact OG-O 2.99Å; S70-R73 PolarHBondContact O-NH1 2.64Å; S70-R73 VanDerWaalsContact O-NH1 3.09Å | ||
| 71 | S | 86.5 | Confident | 93.1 | Very high | 114 Ų | 114 | 46.6 Ų | 46.6 | 80% | 0.797 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -71.9 | -29 | 167.4 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | L69 | L69-S71 PolarHBondContact O-N 3.12Š|
| 72 | D | 90.3 | Very high | 93 | Very high | 69 Ų | 69 | 49.8 Ų | 49.8 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | trans | -100.3 | 103.4 | 176.1 | -178.5 | -3 | 0 | 0 | 0 | 109.4 | S70 T74 N75 W76 | S70-D72 VanDerWaalsContact C-N 3.33Å; S70-D72 PolarHBondContact OG-N 2.92Å; S70-D72 VanDerWaalsContact OG-N 3.15Å; S70-D72 PolarHBondContact OG-O 2.99Å; D72-T74 PolarHBondContact O-N 3.13Å; D72-T74 WeakPolarHBondContact OD1-CA 2.99Å; D72-T74 WeakPolarHBondContact OD1-CB 3.44Å; D72-T74 PolarHBondContact OD1-N 2.66Å; D72-T74 PolarHBondContact OD1-OG1 3.04Å; D72-N75 CarbonylContact O-C 3.59Å; D72-N75 PolarHBondContact OD1-N 3.23Å; D72-N75 WeakPolarHBondContact OD2-CB 3Å; D72-W76 WeakPolarHBondContact O-CA 3.38Å; D72-W76 PolarHBondContact O-N 3.3Å | ||
| 73 | R | 87.7 | Confident | 92.9 | Very high | 92 Ų | 92 | 51.6 Ų | 51.6 | 35% | 0.347 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -72 | -14.2 | 179.4 | -56.2 | -59.1 | -173.4 | -167.7 | -3.3 | 112.9 | Y67 L68 S70 M109 | Y67-R73 PolarHBondContact O-NH1 3.2Å; L68-R73 PolarHBondContact O-NH1 3.32Å; S70-R73 PolarHBondContact O-NH1 2.64Å; S70-R73 VanDerWaalsContact O-NH1 3.09Å; R73-M109 PolarHBondContact NH2-SD 2.89Å; R73-M109 VanDerWaalsContact NH2-SD 3.4Å |
| 74 | T | 88.8 | Confident | 92.7 | Very high | 131 Ų | 131 | 52 Ų | 52 | 80% | 0.804 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -86.5 | -32.3 | 178.3 | 66.6 | 0 | 0 | 0 | 0 | 112.4 | D72 | D72-T74 PolarHBondContact O-N 3.13Å; D72-T74 WeakPolarHBondContact OD1-CA 2.99Å; D72-T74 WeakPolarHBondContact OD1-CB 3.44Å; D72-T74 PolarHBondContact OD1-N 2.66Å; D72-T74 PolarHBondContact OD1-OG1 3.04Å |
| 75 | N | 92.3 | Very high | 92.5 | Very high | 102 Ų | 102 | 60.1 Ų | 60.1 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -118.6 | 43.6 | 177.4 | -169.6 | 29.4 | 0 | 0 | 0 | 112.5 | D72 L77 G78 | D72-N75 CarbonylContact O-C 3.59Å; D72-N75 PolarHBondContact OD1-N 3.23Å; D72-N75 WeakPolarHBondContact OD2-CB 3Å; N75-L77 VanDerWaalsContact C-N 3.28Å; N75-L77 PolarHBondContact O-N 3.44Å; N75-G78 PolarHBondContact O-N 2.93Å |
| 76 | W | 94.7 | Very high | 92.3 | Very high | 10 Ų | 10 | 61.3 Ų | 61.3 | 4% | 0.038 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -19.9 | -170.8 | 67.5 | -97.3 | 0 | 0 | 0 | 114.8 | F63 R66 Y67 D72 G78 L275 V279 | F63-W76 HydrophobicContact CB-CH2 4.37Å; F63-W76 HydrophobicContact CB-CZ3 4.21Å; F63-W76 HydrophobicContact CD1-CZ3 4.25Å; F63-W76 VanDerWaalsContact O-CZ3 3.31Å; F63-W76 WeakPolarHBondContact O-CZ3 3.42Å; R66-W76 HydrophobicContact CB-CE3 4.26Å; R66-W76 HydrophobicContact CB-CZ3 4.36Å; Y67-W76 HydrophobicContact CD2-CB 3.98Å; Y67-W76 AromaticContact CD2-CD1 3.7Å; Y67-W76 AromaticContact CD2-CD2 3.72Å; Y67-W76 HydrophobicContact CD2-CD2 3.72Å; Y67-W76 AromaticContact CD2-CE2 4Å; Y67-W76 HydrophobicContact CD2-CE3 4.33Å; Y67-W76 AromaticContact CD2-CG 3.52Å; Y67-W76 HydrophobicContact CD2-CG 3.52Å; Y67-W76 AromaticContact CD2-NE1 3.95Å; Y67-W76 HydrophobicContact CE2-CG 4.3Å; Y67-W76 HydrophobicContact CG-CD2 4.36Å; Y67-W76 HydrophobicContact CG-CG 4.43Å; D72-W76 WeakPolarHBondContact O-CA 3.38Å; D72-W76 PolarHBondContact O-N 3.3Å; W76-G78 PolarHBondContact O-N 3.44Å; W76-L275 HydrophobicContact CH2-CD2 4.34Å; W76-L275 HydrophobicContact CH2-CG 4.12Å; W76-V279 HydrophobicContact CH2-CB 3.81Å; W76-V279 HydrophobicContact CH2-CG1 4.19Å; W76-V279 HydrophobicContact CH2-CG2 3.5Å; W76-V279 HydrophobicContact CZ2-CB 3.73Å; W76-V279 HydrophobicContact CZ2-CG1 4.33Å; W76-V279 HydrophobicContact CZ2-CG2 3.86Å; W76-V279 HydrophobicContact CZ3-CG1 4.49Å; W76-V279 HydrophobicContact CZ3-CG2 4.36Å |
| 77 | L | 93.6 | Very high | 92.1 | Very high | 19 Ų | 19 | 59.8 Ų | 59.8 | 10% | 0.099 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -24.2 | 175.8 | -78 | 172.3 | 0 | 0 | 0 | 112.4 | F63 R66 N75 V264 V272 L275 I276 | F63-L77 HydrophobicContact CD1-CD2 3.93Å; F63-L77 HydrophobicContact CE1-CD2 4.05Å; R66-L77 PolarHBondContact NH1-O 2.97Å; R66-L77 VanDerWaalsContact NH1-O 3.14Å; N75-L77 VanDerWaalsContact C-N 3.28Å; N75-L77 PolarHBondContact O-N 3.44Å; L77-V264 HydrophobicContact CD2-CG2 4.4Å; L77-V272 HydrophobicContact CD1-CG1 3.68Å; L77-L275 HydrophobicContact CD2-CD2 4.08Å; L77-I276 HydrophobicContact CD1-CD1 3.71Å; L77-I276 HydrophobicContact CD1-CG1 3.55Å; L77-I276 HydrophobicContact CG-CG1 4.39Å |
| 78 | G | 90 | Very high | 91.6 | Very high | 34 Ų | 34 | 62.4 Ų | 62.4 | 35% | 0.351 | 36% | 0.356 | S | S | . | . | trans | 72.4 | -159.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N75 W76 P80 | N75-G78 PolarHBondContact O-N 2.93Å; W76-G78 PolarHBondContact O-N 3.44Å; G78-P80 WeakPolarHBondContact O-CD 3.25Å | ||
| 79 | D | 92.6 | Very high | 91 | Very high | 89 Ų | 89 | 64.9 Ų | 64.9 | 48% | 0.476 | 37% | 0.365 | S | S | . | . | trans | -65.1 | 122.6 | 177.7 | 174.3 | 9.8 | 0 | 0 | 0 | 111 | E81 T82 | D79-E81 PolarHBondContact O-N 2.98Å; D79-E81 WeakPolarHBondContact OD1-CB 3.17Å; D79-E81 PolarHBondContact OD1-N 3.24Å; D79-T82 WeakPolarHBondContact O-CB 3.31Å; D79-T82 PolarHBondContact O-N 2.99Å | ||
| 80 | P | 93.7 | Very high | 90.4 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 42% | 0.422 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -19.5 | 178.9 | -24.4 | 34.2 | 0 | 0 | 0 | 115.2 | G78 V264 K265 | G78-P80 WeakPolarHBondContact O-CD 3.25Å; P80-V264 HydrophobicContact CB-CB 4.33Å; P80-V264 PolarHBondContact O-N 3.19Å; P80-K265 HydrophobicContact CB-CB 4.13Å; P80-K265 PolarHBondContact O-N 3.46Å |
| 81 | E | 94.5 | Very high | 89.6 | Confident | 92 Ų | 92 | 69.3 Ų | 69.3 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -11.3 | 176.8 | -68 | -67.8 | 158.2 | 0 | 0 | 113.6 | D79 P83 R263 K265 | D79-E81 PolarHBondContact O-N 2.98Å; D79-E81 WeakPolarHBondContact OD1-CB 3.17Å; D79-E81 PolarHBondContact OD1-N 3.24Å; E81-P83 WeakPolarHBondContact O-CD 3.14Å; E81-R263 VanDerWaalsContact O-CD 3.24Å; E81-R263 WeakPolarHBondContact O-CD 3.33Å; E81-R263 WeakPolarHBondContact O-CG 3.5Å; E81-R263 PolarHBondContact O-NE 3.1Å; E81-K265 HydrophobicContact CG-CD 4.43Å; E81-K265 WeakPolarHBondContact OE1-CD 2.98Å; E81-K265 WeakPolarHBondContact OE1-CE 3.33Å; E81-K265 IonicContact OE1-NZ 2.78Å; E81-K265 PolarHBondContact OE1-NZ 3.28Å; E81-K265 WeakPolarHBondContact OE2-CD 3.4Å; E81-K265 WeakPolarHBondContact OE2-CE 3.5Å; E81-K265 IonicContact OE2-NZ 2.59Å; E81-K265 PolarHBondContact OE2-NZ 2.85Å |
| 82 | T | 93.1 | Very high | 89 | Confident | 67 Ų | 67 | 66.7 Ų | 66.7 | 41% | 0.411 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -81 | 125.7 | -178 | -65.5 | 0 | 0 | 0 | 0 | 111 | R66 D79 | R66-T82 PolarHBondContact NH2-O 3.22Å; D79-T82 WeakPolarHBondContact O-CB 3.31Å; D79-T82 PolarHBondContact O-N 2.99Å |
| 83 | P | 93.3 | Very high | 88.5 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 25% | 0.247 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 152.9 | 174.6 | -25.3 | 35.5 | 0 | 0 | 0 | 113.2 | R66 E81 D261 R263 | R66-P83 PolarHBondContact NH2-O 3.1Å; E81-P83 WeakPolarHBondContact O-CD 3.14Å; P83-D261 WeakPolarHBondContact CA-O 3.43Å; P83-D261 HydrophobicContact CB-CB 4.32Å; P83-D261 WeakPolarHBondContact CG-OD2 3.43Å; P83-R263 HydrophobicContact CG-CG 4.49Å |
| 84 | L | 92.3 | Very high | 88 | Confident | 10 Ų | 10 | 68.6 Ų | 68.6 | 5% | 0.052 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 131.8 | 176 | -168.2 | 63.8 | 0 | 0 | 0 | 109.3 | F59 D62 F63 R66 W89 D261 | F59-L84 HydrophobicContact CD2-CD2 3.64Å; F59-L84 HydrophobicContact CE2-CD2 3.82Å; F59-L84 HydrophobicContact CG-CD2 4.45Å; D62-L84 HydrophobicContact CB-CD1 3.53Å; D62-L84 HydrophobicContact CB-CD2 3.68Å; D62-L84 HydrophobicContact CB-CG 3.38Å; F63-L84 HydrophobicContact CD1-CD1 4.15Å; F63-L84 HydrophobicContact CD2-CD2 3.98Å; F63-L84 HydrophobicContact CE1-CD1 4.11Å; F63-L84 HydrophobicContact CE2-CD1 4.47Å; F63-L84 HydrophobicContact CE2-CD2 3.59Å; F63-L84 HydrophobicContact CG-CD1 4.35Å; F63-L84 HydrophobicContact CZ-CD1 4.27Å; F63-L84 HydrophobicContact CZ-CD2 3.91Å; R66-L84 HydrophobicContact CG-CD1 4.18Å; R66-L84 VanDerWaalsContact NH2-CA 3.28Å; L84-W89 HydrophobicContact CB-CZ2 4.09Å; L84-W89 HydrophobicContact CD2-CZ2 4.23Å; L84-D261 PolarHBondContact N-O 3.16Å |
| 85 | K | 91.2 | Very high | 87.5 | Confident | 169 Ų | 169 | 66.2 Ų | 66.2 | 74% | 0.735 | 38% | 0.379 | S | S | * | . | trans | -138.9 | 146 | -178 | -63.4 | -175 | 179.5 | -176.9 | 0 | 108.8 | ||||
| 86 | G | 91.9 | Very high | 86.6 | Confident | 28 Ų | 28 | 63.7 Ų | 63.7 | 29% | 0.289 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 159.4 | -120.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | D62 W103 | D62-G86 VanDerWaalsContact OD1-CA 3.27Å; D62-G86 WeakPolarHBondContact OD1-CA 3.47Å; D62-G86 PolarHBondContact OD2-N 2.96Å; G86-W103 VanDerWaalsContact C-CZ3 3.46Å |
| 87 | F | 90.3 | Very high | 85.6 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.009 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -60.9 | 145.8 | 171 | -68.4 | -84.7 | 0 | 0 | 0 | 110.6 | A8 L61 D62 L65 W89 L101 W103 L121 D123 | A8-F87 HydrophobicContact CB-CD1 3.59Å; A8-F87 HydrophobicContact CB-CE1 4.02Å; A8-F87 HydrophobicContact CB-CG 4.42Å; L61-F87 HydrophobicContact CB-CD2 3.69Å; L61-F87 HydrophobicContact CB-CE2 3.99Å; L61-F87 HydrophobicContact CD1-CD2 4.2Å; L61-F87 HydrophobicContact CD1-CE2 4.22Å; D62-F87 PolarHBondContact OD1-N 3.46Å; L65-F87 HydrophobicContact CD1-CD2 3.78Å; L65-F87 HydrophobicContact CD1-CE2 3.91Å; L65-F87 HydrophobicContact CG-CE2 4.29Å; F87-W89 PolarHBondContact O-N 3.02Å; F87-L101 HydrophobicContact CD1-CB 4.28Å; F87-L101 HydrophobicContact CD1-CD1 4.39Å; F87-L101 HydrophobicContact CE1-CB 4.11Å; F87-W103 HydrophobicContact CD2-CE3 4.23Å; F87-W103 HydrophobicContact CE1-CE3 4.24Å; F87-W103 HydrophobicContact CE2-CB 4.39Å; F87-W103 AromaticContact CE2-CE3 3.94Å; F87-W103 HydrophobicContact CE2-CE3 3.94Å; F87-W103 HydrophobicContact CZ-CB 3.85Å; F87-W103 AromaticContact CZ-CE3 3.96Å; F87-W103 HydrophobicContact CZ-CE3 3.96Å; F87-L121 HydrophobicContact CE2-CB 4.13Å; F87-L121 HydrophobicContact CZ-CB 4.15Å; F87-D123 HydrophobicContact CD1-CB 3.83Å; F87-D123 HydrophobicContact CE1-CB 4Å; F87-D123 HydrophobicContact CG-CB 4.35Å |
| 88 | P | 85.9 | Confident | 85 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 42% | 0.422 | 37% | 0.374 | S | S | . | . | trans | -62.3 | 125 | 176.1 | 26.1 | -33.1 | 0 | 0 | 0 | 110 | S58 L101 | S58-P88 WeakPolarHBondContact CB-O 3.44Å; P88-L101 HydrophobicContact CG-CD1 4.27Å | ||
| 89 | W | 83.6 | Confident | 84.9 | Confident | 61 Ų | 61 | 63.1 Ų | 63.1 | 23% | 0.231 | 36% | 0.357 | C | S | . | . | trans | -142.8 | 145.7 | 172.3 | 69.3 | -88.9 | 0 | 0 | 0 | 110.2 | F59 D62 L84 F87 F260 | F59-W89 HydrophobicContact CB-CD2 4.34Å; F59-W89 HydrophobicContact CB-CE3 4.4Å; F59-W89 HydrophobicContact CB-CG 4.49Å; F59-W89 HydrophobicContact CD2-CD2 4.3Å; F59-W89 HydrophobicContact CD2-CE3 4.18Å; F59-W89 HydrophobicContact CD2-CH2 4.08Å; F59-W89 HydrophobicContact CD2-CZ2 4.17Å; F59-W89 HydrophobicContact CD2-CZ3 4.07Å; F59-W89 HydrophobicContact CE2-CH2 4.43Å; D62-W89 PolarHBondContact OD2-NE1 3.39Å; L84-W89 HydrophobicContact CB-CZ2 4.09Å; L84-W89 HydrophobicContact CD2-CZ2 4.23Å; F87-W89 PolarHBondContact O-N 3.02Å; W89-F260 AromaticContact CH2-CD1 3.67Å; W89-F260 HydrophobicContact CH2-CD1 3.67Å; W89-F260 AromaticContact CH2-CE1 3.58Å; W89-F260 HydrophobicContact CH2-CE1 3.58Å; W89-F260 AromaticContact CZ3-CD1 3.87Å; W89-F260 HydrophobicContact CZ3-CD1 3.87Å; W89-F260 AromaticContact CZ3-CE1 3.94Å; W89-F260 HydrophobicContact CZ3-CE1 3.94Å | ||
| 90 | R | 79.2 | Confident | 84.9 | Confident | 137 Ų | 137 | 58.9 Ų | 58.9 | 52% | 0.517 | 34% | 0.335 | S | S | . | . | trans | -154.4 | 156.9 | 175.3 | 60.6 | -176.7 | 177.1 | 124.7 | 5.8 | 110.9 | R54 R95 D96 | R54-R90 PolarHBondContact NH1-O 3.25Å; R90-R95 PolarHBondContact NH2-O 3.02Å; R90-D96 IonicContact CZ-OD1 3.59Å; R90-D96 IonicContact NE-OD1 3.33Å; R90-D96 PolarHBondContact NE-OD1 3.35Å; R90-D96 IonicContact NH2-OD1 3.98Å | ||
| 91 | G | 75.5 | Confident | 85 | Confident | 61 Ų | 61 | 56.3 Ų | 56.3 | 63% | 0.629 | 32% | 0.317 | S | S | * | . | trans | -66.8 | 175.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 92 | G | 75.7 | Confident | 85.1 | Confident | 59 Ų | 59 | 52 Ų | 52 | 61% | 0.608 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 110.1 | 165.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R54 | R54-G92 WeakPolarHBondContact CD-O 3.41Š|
| 93 | S | 77.7 | Confident | 85.2 | Confident | 91 Ų | 91 | 49.6 Ų | 49.6 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -82.7 | -24.1 | -175.9 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | F53 | F53-S93 WeakPolarHBondContact CE2-O 3.47Š|
| 94 | E | 77.2 | Confident | 85.3 | Confident | 110 Ų | 110 | 48.5 Ų | 48.5 | 51% | 0.514 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -81 | 153.1 | -175.6 | -63.8 | -54.9 | 137.1 | 0 | 0 | 112.7 | R54 | R54-E94 WeakPolarHBondContact CD-O 3.26Å; R54-E94 PolarHBondContact NE-O 2.94Å |
| 95 | R | 78.7 | Confident | 85.4 | Confident | 81 Ų | 81 | 51 Ų | 51 | 31% | 0.306 | 29% | 0.285 | S | S | . | . | trans | -62.6 | 159.9 | 173 | 72.7 | -172.5 | -176.7 | -178.5 | -5.7 | 111.9 | R90 D129 T131 S132 | R90-R95 PolarHBondContact NH2-O 3.02Å; R95-D129 WeakPolarHBondContact CD-OD2 3.44Å; R95-D129 IonicContact CZ-OD2 3.39Å; R95-D129 IonicContact NE-OD2 3.75Å; R95-D129 IonicContact NH1-OD1 3.83Å; R95-D129 IonicContact NH1-OD2 3.92Å; R95-D129 PolarHBondContact NH1-OD2 3.03Å; R95-T131 PolarHBondContact NH1-OG1 3.07Å; R95-S132 PolarHBondContact NH1-OG 3.43Å; R95-S132 VanDerWaalsContact NH1-OG 3.16Å | ||
| 96 | D | 73.3 | Confident | 85.6 | Confident | 49 Ų | 49 | 43.3 Ų | 43.3 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | trans | -130.7 | -59.6 | -179.6 | -150.9 | 38.4 | 0 | 0 | 0 | 109.4 | R90 | R90-D96 IonicContact CZ-OD1 3.59Å; R90-D96 IonicContact NE-OD1 3.33Å; R90-D96 PolarHBondContact NE-OD1 3.35Å; R90-D96 IonicContact NH2-OD1 3.98Å | ||
| 97 | T | 75.1 | Confident | 85.8 | Confident | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | trans | -76.1 | 129.4 | 172.7 | -44.9 | 0 | 0 | 0 | 0 | 111.8 | L101 D123 Q125 | T97-L101 HydrophobicContact CG2-CD1 3.57Å; T97-L101 HydrophobicContact CG2-CG 4.09Å; T97-D123 PolarHBondContact OG1-OD2 2.76Å; T97-Q125 WeakPolarHBondContact O-CG 3.47Å | ||
| 98 | V | 80.1 | Confident | 86.1 | Confident | 45 Ų | 45 | 46.4 Ų | 46.4 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | trans | -117.7 | 140.7 | 171.6 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | Q10 V14 I100 | Q10-V98 PolarHBondContact NE2-O 3.23Å; Q10-V98 PolarHBondContact OE1-O 3.48Å; V14-V98 HydrophobicContact CB-CG1 4.15Å; V98-I100 PolarHBondContact O-N 3Å | ||
| 99 | G | 87.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 61.3 | -130.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | I12 Q125 | I12-G99 WeakPolarHBondContact O-CA 3.42Å; G99-Q125 PolarHBondContact O-N 2.96Å |
| 100 | I | 93.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 126.6 | -178.4 | -58.4 | -168.9 | 0 | 0 | 0 | 110.6 | Q10 I11 I12 V98 M122 T124 V140 L143 | Q10-I100 PolarHBondContact NE2-O 2.62Å; I11-I100 PolarHBondContact N-O 3.06Å; I12-I100 HydrophobicContact CB-CB 4.01Å; I12-I100 HydrophobicContact CB-CG1 4.27Å; I12-I100 HydrophobicContact CD1-CB 4.36Å; I12-I100 HydrophobicContact CD1-CD1 3.78Å; I12-I100 HydrophobicContact CD1-CG1 4.23Å; I12-I100 HydrophobicContact CG1-CB 4.11Å; I12-I100 HydrophobicContact CG1-CD1 4.48Å; I12-I100 HydrophobicContact CG1-CG1 4.44Å; I12-I100 PolarHBondContact N-O 3.22Å; I12-I100 PolarHBondContact O-N 3.11Å; V98-I100 PolarHBondContact O-N 3Å; I100-M122 HydrophobicContact CD1-SD 4.41Å; I100-M122 HydrophobicContact CG2-CG 3.39Å; I100-M122 HydrophobicContact CG2-SD 3.41Å; I100-M122 WeakPolarHBondContact CG2-SD 3.46Å; I100-T124 HydrophobicContact CG1-CG2 4.42Å; I100-V140 HydrophobicContact CD1-CG1 4.48Å; I100-V140 HydrophobicContact CG1-CG1 4.06Å; I100-L143 HydrophobicContact CD1-CB 4.05Å |
| 101 | L | 94.9 | Very high | 87.9 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 138.4 | 172.7 | -66 | 164.5 | 0 | 0 | 0 | 110.1 | A8 V9 Q10 F87 P88 T97 M122 D123 | A8-L101 HydrophobicContact CB-CD1 4.34Å; A8-L101 HydrophobicContact CB-CD2 4.24Å; V9-L101 CarbonylContact O-C 3.58Å; V9-L101 VanDerWaalsContact O-CA 3.27Å; V9-L101 WeakPolarHBondContact O-CA 3.48Å; Q10-L101 HydrophobicContact CB-CD2 4.1Å; F87-L101 HydrophobicContact CD1-CB 4.28Å; F87-L101 HydrophobicContact CD1-CD1 4.39Å; F87-L101 HydrophobicContact CE1-CB 4.11Å; P88-L101 HydrophobicContact CG-CD1 4.27Å; T97-L101 HydrophobicContact CG2-CD1 3.57Å; T97-L101 HydrophobicContact CG2-CG 4.09Å; L101-M122 WeakPolarHBondContact O-CA 3.41Å; L101-D123 HydrophobicContact CB-CB 4.21Å; L101-D123 HydrophobicContact CD1-CB 4.47Å; L101-D123 PolarHBondContact N-O 3Å; L101-D123 PolarHBondContact O-N 2.82Å |
| 102 | L | 95.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 152.8 | 164.6 | -71.4 | -176.9 | 0 | 0 | 0 | 110.3 | V9 I11 L30 I33 M122 | V9-L102 PolarHBondContact N-O 2.96Å; V9-L102 PolarHBondContact O-N 2.64Å; I11-L102 HydrophobicContact CG1-CB 3.86Å; I11-L102 HydrophobicContact CG1-CD1 3.87Å; I11-L102 HydrophobicContact CG1-CG 3.78Å; L30-L102 HydrophobicContact CD1-CD1 3.65Å; I33-L102 HydrophobicContact CD1-CB 4.32Å; L102-M122 HydrophobicContact CD2-CB 3.58Å; L102-M122 HydrophobicContact CD2-CG 3.7Å; L102-M122 HydrophobicContact CD2-SD 4.07Å |
| 103 | W | 96.4 | Very high | 89.8 | Confident | 18 Ų | 18 | 42.8 Ų | 42.8 | 7% | 0.068 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 132.3 | 166.8 | -164.3 | -112.9 | 0 | 0 | 0 | 110.5 | G6 H7 L65 G86 F87 E105 F107 L121 | G6-W103 VanDerWaalsContact C-CH2 3.46Å; G6-W103 VanDerWaalsContact CA-CZ2 3.5Å; G6-W103 WeakPolarHBondContact O-CH2 3.31Å; G6-W103 WeakPolarHBondContact O-CZ2 3.48Å; H7-W103 VanDerWaalsContact C-CZ3 3.45Å; L65-W103 HydrophobicContact CD1-CD2 3.98Å; L65-W103 HydrophobicContact CD1-CE3 3.78Å; L65-W103 HydrophobicContact CD1-CH2 3.85Å; L65-W103 HydrophobicContact CD1-CZ2 4Å; L65-W103 HydrophobicContact CD1-CZ3 3.73Å; L65-W103 HydrophobicContact CD2-CB 4.46Å; L65-W103 HydrophobicContact CD2-CD2 3.6Å; L65-W103 HydrophobicContact CD2-CE3 4.23Å; L65-W103 HydrophobicContact CD2-CG 3.69Å; L65-W103 HydrophobicContact CD2-CZ2 4.2Å; L65-W103 HydrophobicContact CG-CD2 4.47Å; G86-W103 VanDerWaalsContact C-CZ3 3.46Å; F87-W103 HydrophobicContact CD2-CE3 4.23Å; F87-W103 HydrophobicContact CE1-CE3 4.24Å; F87-W103 HydrophobicContact CE2-CB 4.39Å; F87-W103 AromaticContact CE2-CE3 3.94Å; F87-W103 HydrophobicContact CE2-CE3 3.94Å; F87-W103 HydrophobicContact CZ-CB 3.85Å; F87-W103 AromaticContact CZ-CE3 3.96Å; F87-W103 HydrophobicContact CZ-CE3 3.96Å; W103-E105 VanDerWaalsContact C-N 3.29Å; W103-E105 PolarHBondContact O-N 3.05Å; W103-F107 AromaticContact CD1-CE2 3.61Å; W103-F107 AromaticContact CD1-CZ 3.65Å; W103-F107 HydrophobicContact CG-CE2 4.43Å; W103-F107 AromaticContact NE1-CZ 3.76Å; W103-L121 PolarHBondContact N-O 3.39Å; W103-L121 VanDerWaalsContact N-O 3.16Å |
| 104 | S | 95.5 | Very high | 90.6 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -67.1 | -26.6 | -172.7 | 69.3 | 0 | 0 | 0 | 0 | 114.4 | G6 H7 V9 P106 | G6-S104 VanDerWaalsContact CA-OG 3.3Å; G6-S104 WeakPolarHBondContact CA-OG 3.34Å; H7-S104 PolarHBondContact N-OG 2.65Å; H7-S104 PolarHBondContact ND1-OG 3.07Å; H7-S104 WeakPolarHBondContact O-CB 2.9Å; H7-S104 PolarHBondContact O-N 2.97Å; H7-S104 PolarHBondContact O-OG 2.79Å; V9-S104 VanDerWaalsContact CG2-CB 3.5Å; S104-P106 WeakPolarHBondContact O-CD 3.35Å |
| 105 | E | 94.8 | Very high | 91.5 | Very high | 64 Ų | 64 | 39 Ų | 39 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -106.9 | 108.9 | -176.7 | -84.7 | -57 | 156.6 | 0 | 0 | 112.1 | R36 W103 | R36-E105 IonicContact CZ-OE2 4Å; R36-E105 IonicContact NH1-OE1 3.93Å; R36-E105 PolarHBondContact NH1-OE1 3.29Å; R36-E105 IonicContact NH1-OE2 3.02Å; R36-E105 PolarHBondContact NH1-OE2 3Å; R36-E105 IonicContact NH2-OE2 2.62Å; W103-E105 VanDerWaalsContact C-N 3.29Å; W103-E105 PolarHBondContact O-N 3.05Å |
| 106 | P | 94.9 | Very high | 92.4 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 5% | 0.045 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -67 | 140.7 | 177.1 | -19.5 | 33.6 | 0 | 0 | 0 | 112.4 | I33 V39 S104 V118 L120 | I33-P106 HydrophobicContact CG2-CG 3.78Å; V39-P106 HydrophobicContact CG1-CB 4.42Å; V39-P106 HydrophobicContact CG1-CG 4.25Å; V39-P106 HydrophobicContact CG2-CB 4.17Å; V39-P106 HydrophobicContact CG2-CG 4Å; S104-P106 WeakPolarHBondContact O-CD 3.35Å; P106-V118 HydrophobicContact CB-CG1 3.45Å; P106-V118 VanDerWaalsContact CB-CG1 3.45Å; P106-L120 HydrophobicContact CB-CD2 3.76Å; P106-L120 HydrophobicContact CG-CD2 3.97Å |
| 107 | F | 96.5 | Very high | 93.5 | Very high | 21 Ų | 21 | 37 Ų | 37 | 9% | 0.092 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.5 | 179.9 | -58.3 | -85.2 | 0 | 0 | 0 | 111 | L65 L68 L69 W103 V118 V119 | L65-F107 HydrophobicContact CD2-CE2 3.88Å; L65-F107 HydrophobicContact CD2-CZ 3.62Å; L68-F107 HydrophobicContact CB-CD1 3.7Å; L68-F107 HydrophobicContact CB-CD2 4.26Å; L68-F107 HydrophobicContact CB-CE1 3.79Å; L68-F107 HydrophobicContact CB-CE2 4.33Å; L68-F107 HydrophobicContact CB-CG 3.95Å; L68-F107 HydrophobicContact CB-CZ 4.11Å; L68-F107 HydrophobicContact CD1-CD2 3.57Å; L68-F107 HydrophobicContact CD1-CE2 3.77Å; L68-F107 HydrophobicContact CD1-CG 3.98Å; L68-F107 HydrophobicContact CD1-CZ 4.34Å; L68-F107 HydrophobicContact CG-CD2 4.47Å; L68-F107 HydrophobicContact CG-CG 4.44Å; L69-F107 HydrophobicContact CD2-CE1 3.75Å; L69-F107 HydrophobicContact CD2-CZ 4.49Å; L69-F107 HydrophobicContact CG-CE1 3.89Å; L69-F107 HydrophobicContact CG-CZ 4.42Å; W103-F107 AromaticContact CD1-CE2 3.61Å; W103-F107 AromaticContact CD1-CZ 3.65Å; W103-F107 HydrophobicContact CG-CE2 4.43Å; W103-F107 AromaticContact NE1-CZ 3.76Å; F107-V118 CarbonylContact O-C 3.55Å; F107-V118 WeakPolarHBondContact O-CA 3.39Å; F107-V119 HydrophobicContact CB-CB 4.24Å; F107-V119 PolarHBondContact N-O 2.87Å; F107-V119 PolarHBondContact O-N 2.93Å |
| 108 | F | 96.1 | Very high | 94.6 | Very high | 73 Ų | 73 | 36.7 Ų | 36.7 | 32% | 0.32 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 128.5 | 174.8 | -57.6 | -82.6 | 0 | 0 | 0 | 110.3 | D38 V39 K42 E116 V118 | D38-F108 HydrophobicContact CB-CZ 4.45Å; D38-F108 WeakPolarHBondContact O-CE1 3.27Å; V39-F108 HydrophobicContact CG2-CE1 4.11Å; V39-F108 HydrophobicContact CG2-CZ 3.73Å; K42-F108 HydrophobicContact CD-CD1 3.85Å; K42-F108 HydrophobicContact CD-CE1 3.74Å; F108-E116 HydrophobicContact CB-CG 4.48Å; F108-V118 HydrophobicContact CD1-CG2 4Å; F108-V118 HydrophobicContact CE1-CG2 3.83Å |
| 109 | M | 94.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 6% | 0.059 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 142.6 | 177.5 | -62.5 | -64.8 | -65.1 | 0 | 0 | 109.7 | R73 E116 V117 V119 P285 L288 | R73-M109 PolarHBondContact NH2-SD 2.89Å; R73-M109 VanDerWaalsContact NH2-SD 3.4Å; M109-E116 WeakPolarHBondContact O-CA 3.37Å; M109-V117 HydrophobicContact CB-CG2 4.39Å; M109-V117 PolarHBondContact N-O 3.05Å; M109-V117 PolarHBondContact O-N 3.33Å; M109-V119 HydrophobicContact CB-CG2 4.11Å; M109-V119 HydrophobicContact CG-CG2 3.64Å; M109-P285 HydrophobicContact CE-CG 3.69Å; M109-L288 HydrophobicContact CB-CD1 3.77Å; M109-L288 HydrophobicContact CG-CD1 4.04Å |
| 110 | T | 96.2 | Very high | 96 | Very high | 84 Ų | 84 | 34.7 Ų | 34.7 | 52% | 0.515 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 118.4 | 174.4 | -50.6 | 0 | 0 | 0 | 0 | 109.3 | E115 P285 | T110-E115 WeakPolarHBondContact CA-O 3.35Å; T110-P285 WeakPolarHBondContact O-CB 3.47Å |
| 111 | L | 96.1 | Very high | 96.2 | Very high | 19 Ų | 19 | 34.7 Ų | 34.7 | 10% | 0.099 | 20% | 0.203 | C | C | . | . | trans | -67.1 | 161.8 | 175.1 | -63.3 | -178.6 | 0 | 0 | 0 | 111 | S113 G114 E115 V117 P285 L288 V290 | L111-S113 PolarHBondContact O-N 3.23Å; L111-G114 PolarHBondContact O-N 2.98Å; L111-E115 PolarHBondContact N-O 2.73Å; L111-V117 HydrophobicContact CD1-CG1 3.6Å; L111-V117 HydrophobicContact CD1-CG2 4.42Å; L111-V117 HydrophobicContact CD2-CG2 3.92Å; L111-V117 HydrophobicContact CG-CG1 3.87Å; L111-V117 HydrophobicContact CG-CG2 3.93Å; L111-P285 WeakPolarHBondContact CD2-O 3.43Å; L111-L288 HydrophobicContact CD2-CB 3.85Å; L111-L288 HydrophobicContact CD2-CD1 4.25Å; L111-V290 HydrophobicContact CD1-CG2 3.76Å | ||
| 112 | P | 95.6 | Very high | 96.2 | Very high | 99 Ų | 99 | 34.2 Ų | 34.2 | 64% | 0.643 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.1 | 173.9 | -26 | 34.5 | 0 | 0 | 0 | 114.5 | G114 P285 V286 | P112-G114 PolarHBondContact O-N 3.35Å; P112-P285 WeakPolarHBondContact CD-O 3.46Å; P112-V286 HydrophobicContact CG-CB 3.96Å; P112-V286 HydrophobicContact CG-CG2 4.18Å |
| 113 | S | 94.3 | Very high | 96.2 | Very high | 93 Ų | 93 | 34.1 Ų | 34.1 | 65% | 0.65 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -12 | 173.3 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | L111 E115 | L111-S113 PolarHBondContact O-N 3.23Å; S113-E115 VanDerWaalsContact C-N 3.31Å; S113-E115 PolarHBondContact OG-N 3.18Å |
| 114 | G | 95.7 | Very high | 95.9 | Very high | 56 Ų | 56 | 33.3 Ų | 33.3 | 58% | 0.577 | 20% | 0.197 | S | C | * | . | S | Bend | trans | 87.3 | -4.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114 | L111 P112 | L111-G114 PolarHBondContact O-N 2.98Å; P112-G114 PolarHBondContact O-N 3.35Å |
| 115 | E | 95.3 | Very high | 95.2 | Very high | 66 Ų | 66 | 33.2 Ų | 33.2 | 31% | 0.308 | 20% | 0.195 | S | C | . | . | trans | -73.3 | 132.7 | 176.7 | -178.7 | 166.3 | -139.1 | 0 | 0 | 111.4 | K43 T110 L111 S113 V117 | K43-E115 WeakPolarHBondContact CD-OE1 3.38Å; K43-E115 WeakPolarHBondContact CE-OE1 3.47Å; K43-E115 IonicContact NZ-OE1 2.75Å; K43-E115 PolarHBondContact NZ-OE1 3.39Å; K43-E115 IonicContact NZ-OE2 3.46Å; K43-E115 PolarHBondContact NZ-OE2 3.24Å; T110-E115 WeakPolarHBondContact CA-O 3.35Å; L111-E115 PolarHBondContact N-O 2.73Å; S113-E115 VanDerWaalsContact C-N 3.31Å; S113-E115 PolarHBondContact OG-N 3.18Å; E115-V117 HydrophobicContact CG-CG1 4.2Å | ||
| 116 | E | 97 | Very high | 94.2 | Very high | 88 Ų | 88 | 30.4 Ų | 30.4 | 41% | 0.411 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 127.7 | 172.5 | -170.6 | -177.7 | 64.8 | 0 | 0 | 110.3 | K42 F108 M109 | K42-E116 HydrophobicContact CD-CG 4.5Å; K42-E116 WeakPolarHBondContact CE-OE1 3.35Å; K42-E116 IonicContact NZ-OE1 2.73Å; K42-E116 PolarHBondContact NZ-OE1 2.95Å; F108-E116 HydrophobicContact CB-CG 4.48Å; M109-E116 WeakPolarHBondContact O-CA 3.37Å |
| 117 | V | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 160.4 | 179.6 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | K43 V45 M109 L111 E115 L288 V290 | K43-V117 HydrophobicContact CB-CG1 4.17Å; K43-V117 WeakPolarHBondContact O-CA 3.38Å; V45-V117 HydrophobicContact CG2-CB 4.42Å; V45-V117 HydrophobicContact CG2-CG2 4Å; M109-V117 HydrophobicContact CB-CG2 4.39Å; M109-V117 PolarHBondContact N-O 3.05Å; M109-V117 PolarHBondContact O-N 3.33Å; L111-V117 HydrophobicContact CD1-CG1 3.6Å; L111-V117 HydrophobicContact CD1-CG2 4.42Å; L111-V117 HydrophobicContact CD2-CG2 3.92Å; L111-V117 HydrophobicContact CG-CG1 3.87Å; L111-V117 HydrophobicContact CG-CG2 3.93Å; E115-V117 HydrophobicContact CG-CG1 4.2Å; V117-L288 HydrophobicContact CG2-CD1 4.48Å; V117-V290 HydrophobicContact CG1-CG2 4.11Å |
| 118 | V | 98 | Very high | 92 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.4 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 109.4 | V39 K42 K43 V44 V45 P106 F107 F108 L120 | V39-V118 HydrophobicContact CG1-CG1 4.17Å; V39-V118 HydrophobicContact CG1-CG2 4.09Å; K42-V118 HydrophobicContact CB-CG2 3.73Å; K42-V118 HydrophobicContact CD-CG2 3.89Å; K42-V118 HydrophobicContact CG-CG2 4.4Å; K43-V118 PolarHBondContact O-N 2.76Å; V44-V118 CarbonylContact C-O 3.59Å; V44-V118 WeakPolarHBondContact CA-O 3.41Å; V45-V118 PolarHBondContact N-O 3.5Å; P106-V118 HydrophobicContact CB-CG1 3.45Å; P106-V118 VanDerWaalsContact CB-CG1 3.45Å; F107-V118 CarbonylContact O-C 3.55Å; F107-V118 WeakPolarHBondContact O-CA 3.39Å; F108-V118 HydrophobicContact CD1-CG2 4Å; F108-V118 HydrophobicContact CE1-CG2 3.83Å; V118-L120 HydrophobicContact CG1-CD2 4.11Å; V118-L120 HydrophobicContact CG1-CG 4.23Å |
| 119 | V | 98.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.8 | 174.4 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | V45 L68 F107 M109 L288 | V45-V119 HydrophobicContact CB-CG2 4.18Å; V45-V119 HydrophobicContact CG1-CG1 4.47Å; V45-V119 CarbonylContact O-C 3.49Å; V45-V119 WeakPolarHBondContact O-CA 3.46Å; L68-V119 HydrophobicContact CD1-CG1 4.29Å; F107-V119 HydrophobicContact CB-CB 4.24Å; F107-V119 PolarHBondContact N-O 2.87Å; F107-V119 PolarHBondContact O-N 2.93Å; M109-V119 HydrophobicContact CB-CG2 4.11Å; M109-V119 HydrophobicContact CG-CG2 3.64Å; V119-L288 HydrophobicContact CG2-CD1 3.69Å; V119-L288 HydrophobicContact CG2-CD2 4.17Å |
| 120 | L | 97.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140.1 | 175.4 | -59.6 | 175.1 | 0 | 0 | 0 | 110.1 | I33 L34 V44 V45 V46 V47 P106 V118 L303 | I33-L120 HydrophobicContact CG2-CD2 4.3Å; L34-L120 HydrophobicContact CD2-CD1 3.45Å; L34-L120 VanDerWaalsContact CD2-CD1 3.45Å; V44-L120 HydrophobicContact CG2-CD1 3.64Å; V44-L120 HydrophobicContact CG2-CG 4.03Å; V45-L120 PolarHBondContact O-N 2.88Å; V46-L120 HydrophobicContact CG2-CB 4.34Å; V46-L120 HydrophobicContact CG2-CD1 4.29Å; V47-L120 PolarHBondContact N-O 2.92Å; P106-L120 HydrophobicContact CB-CD2 3.76Å; P106-L120 HydrophobicContact CG-CD2 3.97Å; V118-L120 HydrophobicContact CG1-CD2 4.11Å; V118-L120 HydrophobicContact CG1-CG 4.23Å; L120-L303 HydrophobicContact CD1-CD2 4.23Å |
| 121 | L | 97.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 135.7 | 171.8 | -62.7 | -172 | 0 | 0 | 0 | 109.9 | V47 L61 F64 L65 L68 F87 W103 L283 | V47-L121 HydrophobicContact CB-CD2 3.95Å; L61-L121 HydrophobicContact CD2-CB 4.3Å; L61-L121 HydrophobicContact CD2-CD1 4.47Å; F64-L121 HydrophobicContact CB-CD1 3.73Å; F64-L121 HydrophobicContact CB-CD2 4.35Å; F64-L121 HydrophobicContact CD2-CD2 4.34Å; L65-L121 HydrophobicContact CD2-CD1 3.66Å; L65-L121 HydrophobicContact CG-CD1 3.83Å; L68-L121 HydrophobicContact CD1-CD1 3.91Å; L68-L121 HydrophobicContact CD1-CD2 4.05Å; L68-L121 HydrophobicContact CD1-CG 3.94Å; F87-L121 HydrophobicContact CE2-CB 4.13Å; F87-L121 HydrophobicContact CZ-CB 4.15Å; W103-L121 PolarHBondContact N-O 3.39Å; W103-L121 VanDerWaalsContact N-O 3.16Å; L121-L283 HydrophobicContact CD2-CD2 4.44Å |
| 122 | M | 96.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 119.1 | -177.7 | -173.4 | 168.1 | 58.3 | 0 | 0 | 111 | V46 V47 S48 V49 I100 L101 L102 T124 S144 V147 F307 | V46-M122 HydrophobicContact CG1-CE 4.18Å; V47-M122 PolarHBondContact O-N 2.91Å; S48-M122 WeakPolarHBondContact CA-O 3.05Å; S48-M122 WeakPolarHBondContact OG-CE 3.49Å; V49-M122 PolarHBondContact N-O 2.83Å; V49-M122 VanDerWaalsContact N-O 3.1Å; I100-M122 HydrophobicContact CD1-SD 4.41Å; I100-M122 HydrophobicContact CG2-CG 3.39Å; I100-M122 HydrophobicContact CG2-SD 3.41Å; I100-M122 WeakPolarHBondContact CG2-SD 3.46Å; L101-M122 WeakPolarHBondContact O-CA 3.41Å; L102-M122 HydrophobicContact CD2-CB 3.58Å; L102-M122 HydrophobicContact CD2-CG 3.7Å; L102-M122 HydrophobicContact CD2-SD 4.07Å; M122-T124 HydrophobicContact CG-CG2 4.45Å; M122-S144 WeakPolarHBondContact CE-O 3.45Å; M122-V147 HydrophobicContact CE-CG2 3.55Å; M122-V147 HydrophobicContact SD-CG2 3.77Å; M122-F307 HydrophobicContact SD-CZ 4.4Å |
| 123 | D | 94.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 142.6 | 169.4 | -165.4 | 21.6 | 0 | 0 | 0 | 109.6 | S58 L61 F87 T97 L101 | S58-D123 WeakPolarHBondContact CB-OD2 3.49Å; S58-D123 PolarHBondContact OG-OD2 3.07Å; L61-D123 HydrophobicContact CD1-CB 3.34Å; F87-D123 HydrophobicContact CD1-CB 3.83Å; F87-D123 HydrophobicContact CE1-CB 4Å; F87-D123 HydrophobicContact CG-CB 4.35Å; T97-D123 PolarHBondContact OG1-OD2 2.76Å; L101-D123 HydrophobicContact CB-CB 4.21Å; L101-D123 HydrophobicContact CD1-CB 4.47Å; L101-D123 PolarHBondContact N-O 3Å; L101-D123 PolarHBondContact O-N 2.82Å |
| 124 | T | 91.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 151.5 | -178 | 64.4 | 0 | 0 | 0 | 0 | 110.6 | V49 A50 K57 I100 M122 G126 V140 | V49-T124 PolarHBondContact O-OG1 2.74Å; A50-T124 VanDerWaalsContact CA-OG1 3.22Å; A50-T124 WeakPolarHBondContact CA-OG1 3.26Å; A50-T124 HydrophobicContact CB-CG2 4.43Å; A50-T124 WeakPolarHBondContact CB-OG1 3.49Å; K57-T124 WeakPolarHBondContact CE-O 3.31Å; I100-T124 HydrophobicContact CG1-CG2 4.42Å; M122-T124 HydrophobicContact CG-CG2 4.45Å; T124-G126 PolarHBondContact O-N 2.7Å; T124-V140 HydrophobicContact CG2-CG1 4.47Å |
| 125 | Q | 80.2 | Confident | 85.9 | Confident | 11 Ų | 11 | 28.5 Ų | 28.5 | 5% | 0.051 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -53.1 | 139.4 | 169.9 | 177.6 | 171.1 | -11.8 | 0 | 0 | 110.6 | T97 G99 S127 D129 S132 V140 | T97-Q125 WeakPolarHBondContact O-CG 3.47Å; G99-Q125 PolarHBondContact O-N 2.96Å; Q125-S127 PolarHBondContact O-N 3.07Å; Q125-D129 PolarHBondContact NE2-OD2 3.49Å; Q125-S132 PolarHBondContact NE2-OG 2.98Å; Q125-V140 HydrophobicContact CB-CG1 4.38Å |
| 126 | G | 73.7 | Confident | 85.4 | Confident | 5 Ų | 5 | 25.5 Ų | 25.5 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -67 | 127.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G51 T124 | G51-G126 VanDerWaalsContact O-CA 3.29Å; G51-G126 WeakPolarHBondContact O-CA 3.48Å; T124-G126 PolarHBondContact O-N 2.7Å |
| 127 | S | 74.2 | Confident | 84.9 | Confident | 7 Ų | 7 | 21.7 Ų | 21.7 | 5% | 0.049 | 13% | 0.128 | C | C | . | . | B | Isolated β-bridge | trans | -67.7 | 156.5 | 172.5 | 53.9 | 0 | 0 | 0 | 0 | 111.4 | G51 A52 F53 Q125 D129 | G51-S127 PolarHBondContact O-N 3.03Å; G51-S127 VanDerWaalsContact O-N 3.08Å; G51-S127 PolarHBondContact O-OG 3.01Å; A52-S127 WeakPolarHBondContact CA-O 3.48Å; A52-S127 PolarHBondContact N-OG 2.97Å; F53-S127 WeakPolarHBondContact CD1-O 3.41Å; F53-S127 PolarHBondContact N-O 3.38Å; F53-S127 VanDerWaalsContact N-O 3.08Å; Q125-S127 PolarHBondContact O-N 3.07Å; S127-D129 PolarHBondContact O-N 2.99Å |
| 128 | F | 70 | Confident | 84.4 | Confident | 78 Ų | 78 | 21.7 Ų | 21.7 | 34% | 0.342 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 30 | 172.7 | -45.7 | -69.9 | 0 | 0 | 0 | 115.8 | F53 C137 H166 F170 | F53-F128 WeakPolarHBondContact CD1-O 3.25Å; F53-F128 WeakPolarHBondContact CE1-O 3.3Å; F128-C137 PolarHBondContact N-SG 2.89Å; F128-H166 AromaticContact CE1-CD2 3.92Å; F128-H166 AromaticContact CE1-CE1 3.63Å; F128-H166 AromaticContact CE1-ND1 3.96Å; F128-H166 AromaticContact CE1-NE2 3.59Å; F128-H166 AromaticContact CE2-CE1 3.94Å; F128-H166 AromaticContact CE2-ND1 3.58Å; F128-H166 HydrophobicContact CZ-CB 3.97Å; F128-H166 AromaticContact CZ-CD2 3.58Å; F128-H166 AromaticContact CZ-CE1 3.35Å; F128-H166 WeakPolarHBondContact CZ-CE1 3.27Å; F128-H166 AromaticContact CZ-CG 3.34Å; F128-H166 AromaticContact CZ-ND1 3.19Å; F128-H166 WeakPolarHBondContact CZ-ND1 3.44Å; F128-H166 AromaticContact CZ-NE2 3.59Å; F128-F170 HydrophobicContact CE1-CZ 4.37Å; F128-F170 HydrophobicContact CE2-CZ 4.44Å; F128-F170 HydrophobicContact CZ-CE2 4.17Å; F128-F170 AromaticContact CZ-CZ 3.71Å; F128-F170 HydrophobicContact CZ-CZ 3.71Å |
| 129 | D | 74.8 | Confident | 84 | Confident | 11 Ų | 11 | 21.7 Ų | 21.7 | 6% | 0.059 | 13% | 0.128 | C | C | . | . | trans | -69.9 | 166.2 | 165.8 | 75.2 | 37.9 | 0 | 0 | 0 | 111.4 | F53 R95 Q125 S127 T131 S132 | F53-D129 HydrophobicContact CB-CB 4.28Å; F53-D129 HydrophobicContact CD1-CB 4Å; F53-D129 HydrophobicContact CD2-CB 3.97Å; F53-D129 HydrophobicContact CE1-CB 4.37Å; F53-D129 HydrophobicContact CE2-CB 4.36Å; F53-D129 HydrophobicContact CG-CB 3.82Å; R95-D129 WeakPolarHBondContact CD-OD2 3.44Å; R95-D129 IonicContact CZ-OD2 3.39Å; R95-D129 IonicContact NE-OD2 3.75Å; R95-D129 IonicContact NH1-OD1 3.83Å; R95-D129 IonicContact NH1-OD2 3.92Å; R95-D129 PolarHBondContact NH1-OD2 3.03Å; Q125-D129 PolarHBondContact NE2-OD2 3.49Å; S127-D129 PolarHBondContact O-N 2.99Å; D129-T131 PolarHBondContact O-N 2.64Å; D129-T131 VanDerWaalsContact O-N 3.15Å; D129-T131 WeakPolarHBondContact OD1-CA 3.25Å; D129-T131 PolarHBondContact OD1-N 3.13Å; D129-T131 PolarHBondContact OD1-OG1 3.1Å; D129-S132 WeakPolarHBondContact OD1-CA 3.42Å; D129-S132 WeakPolarHBondContact OD1-CB 3.33Å; D129-S132 PolarHBondContact OD1-N 2.85Å; D129-S132 PolarHBondContact OD1-OG 2.91Å; D129-S132 PolarHBondContact OD2-OG 3.21Å | ||
| 130 | S | 68.2 | Low | 83.7 | Confident | 108 Ų | 108 | 22 Ų | 22 | 76% | 0.755 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -10.5 | -176.6 | 52.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 131 | T | 70.3 | Confident | 83.4 | Confident | 66 Ų | 66 | 22 Ų | 22 | 41% | 0.405 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -17 | -172.4 | 48.1 | 0 | 0 | 0 | 0 | 113.1 | R95 D129 | R95-T131 PolarHBondContact NH1-OG1 3.07Å; D129-T131 PolarHBondContact O-N 2.64Å; D129-T131 VanDerWaalsContact O-N 3.15Å; D129-T131 WeakPolarHBondContact OD1-CA 3.25Å; D129-T131 PolarHBondContact OD1-N 3.13Å; D129-T131 PolarHBondContact OD1-OG1 3.1Å |
| 132 | S | 78.2 | Confident | 83.1 | Confident | 20 Ų | 20 | 22 Ų | 22 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | trans | -96 | 138 | -169.8 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | R95 Q125 D129 Q136 | R95-S132 PolarHBondContact NH1-OG 3.43Å; R95-S132 VanDerWaalsContact NH1-OG 3.16Å; Q125-S132 PolarHBondContact NE2-OG 2.98Å; D129-S132 WeakPolarHBondContact OD1-CA 3.42Å; D129-S132 WeakPolarHBondContact OD1-CB 3.33Å; D129-S132 PolarHBondContact OD1-N 2.85Å; D129-S132 PolarHBondContact OD1-OG 2.91Å; D129-S132 PolarHBondContact OD2-OG 3.21Å; S132-Q136 VanDerWaalsContact CB-OE1 3.26Å; S132-Q136 PolarHBondContact OG-OE1 3.18Å | ||
| 133 | T | 81.7 | Confident | 83 | Confident | 54 Ų | 54 | 22 Ų | 22 | 33% | 0.331 | 13% | 0.13 | S | C | . | . | trans | -75.4 | 161.6 | 175 | 66.5 | 0 | 0 | 0 | 0 | 111.8 | R135 Q136 C137 | T133-R135 PolarHBondContact O-N 3.5Å; T133-Q136 VanDerWaalsContact N-OE1 3.17Å; T133-Q136 WeakPolarHBondContact O-CB 3.21Å; T133-Q136 PolarHBondContact O-N 3.34Å; T133-Q136 VanDerWaalsContact O-N 3.15Å; T133-Q136 WeakPolarHBondContact OG1-CG 3.49Å; T133-Q136 PolarHBondContact OG1-N 2.84Å; T133-Q136 VanDerWaalsContact OG1-N 3.1Å; T133-C137 PolarHBondContact O-N 2.81Å; T133-C137 VanDerWaalsContact O-N 3.1Å; T133-C137 PolarHBondContact O-SG 2.85Å; T133-C137 VanDerWaalsContact O-SG 3.41Å | ||
| 134 | V | 83.8 | Confident | 83 | Confident | 47 Ų | 47 | 22 Ų | 22 | 29% | 0.285 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -59.6 | -39.5 | 171.9 | 180 | 0 | 0 | 0 | 0 | 110.3 | Q136 C137 A138 L169 P322 | V134-Q136 PolarHBondContact O-N 2.85Å; V134-C137 PolarHBondContact O-N 3.5Å; V134-A138 VanDerWaalsContact O-CB 3.26Å; V134-A138 WeakPolarHBondContact O-CB 3.39Å; V134-A138 PolarHBondContact O-N 2.88Å; V134-L169 HydrophobicContact CG1-CD2 4.03Å; V134-P322 HydrophobicContact CG1-CB 4.13Å |
| 135 | R | 83.8 | Confident | 83.1 | Confident | 33 Ų | 33 | 22.1 Ų | 22.1 | 13% | 0.125 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.6 | -46.6 | 173.2 | -178.2 | 174.2 | 179.2 | 177.7 | -2.9 | 111.3 | T133 A138 T139 Y314 E321 | T133-R135 PolarHBondContact O-N 3.5Å; R135-A138 PolarHBondContact O-N 3.15Å; R135-T139 WeakPolarHBondContact O-CB 3.36Å; R135-T139 PolarHBondContact O-N 3.18Å; R135-T139 PolarHBondContact O-OG1 3.4Å; R135-Y314 PolarHBondContact NH2-O 3.35Å; R135-E321 IonicContact CZ-OE1 3.78Å; R135-E321 IonicContact NH1-OE1 2.86Å; R135-E321 PolarHBondContact NH1-OE1 3.28Å |
| 136 | Q | 85.8 | Confident | 83.7 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.019 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.9 | -52.3 | 176.2 | -77.8 | 172 | -1.7 | 0 | 0 | 113.8 | V14 E16 T21 F23 S132 T133 V134 A138 T139 V140 | V14-Q136 HydrophobicContact CG1-CG 3.77Å; E16-Q136 VanDerWaalsContact CD-NE2 3.29Å; E16-Q136 PolarHBondContact OE1-NE2 2.66Å; E16-Q136 PolarHBondContact OE1-OE1 3.07Å; T21-Q136 HydrophobicContact CG2-CG 3.31Å; T21-Q136 PolarHBondContact OG1-NE2 3.16Å; T21-Q136 VanDerWaalsContact OG1-NE2 3.08Å; F23-Q136 HydrophobicContact CZ-CG 4.2Å; S132-Q136 VanDerWaalsContact CB-OE1 3.26Å; S132-Q136 PolarHBondContact OG-OE1 3.18Å; T133-Q136 VanDerWaalsContact N-OE1 3.17Å; T133-Q136 WeakPolarHBondContact O-CB 3.21Å; T133-Q136 PolarHBondContact O-N 3.34Å; T133-Q136 VanDerWaalsContact O-N 3.15Å; T133-Q136 WeakPolarHBondContact OG1-CG 3.49Å; T133-Q136 PolarHBondContact OG1-N 2.84Å; T133-Q136 VanDerWaalsContact OG1-N 3.1Å; V134-Q136 PolarHBondContact O-N 2.85Å; Q136-A138 VanDerWaalsContact C-N 3.29Å; Q136-A138 PolarHBondContact O-N 3.05Å; Q136-T139 PolarHBondContact O-N 3.15Å; Q136-V140 WeakPolarHBondContact O-CG2 2.98Å; Q136-V140 PolarHBondContact O-N 2.84Å |
| 137 | C | 87 | Confident | 84.7 | Confident | 8 Ų | 8 | 21.4 Ų | 21.4 | 5% | 0.054 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.4 | -43.6 | -179.8 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | F128 T133 V134 F141 F170 | F128-C137 PolarHBondContact N-SG 2.89Å; T133-C137 PolarHBondContact O-N 2.81Å; T133-C137 VanDerWaalsContact O-N 3.1Å; T133-C137 PolarHBondContact O-SG 2.85Å; T133-C137 VanDerWaalsContact O-SG 3.41Å; V134-C137 PolarHBondContact O-N 3.5Å; C137-F141 VanDerWaalsContact O-CB 3.27Å; C137-F141 WeakPolarHBondContact O-CB 3.29Å; C137-F141 PolarHBondContact O-N 2.71Å; C137-F170 HydrophobicContact CB-CE1 4.44Å; C137-F170 HydrophobicContact CB-CZ 4.08Å |
| 138 | A | 87.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.3 | -45.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V134 R135 Q136 A142 F170 Y173 P322 | V134-A138 VanDerWaalsContact O-CB 3.26Å; V134-A138 WeakPolarHBondContact O-CB 3.39Å; V134-A138 PolarHBondContact O-N 2.88Å; R135-A138 PolarHBondContact O-N 3.15Å; Q136-A138 VanDerWaalsContact C-N 3.29Å; Q136-A138 PolarHBondContact O-N 3.05Å; A138-A142 WeakPolarHBondContact O-CB 3.35Å; A138-A142 PolarHBondContact O-N 2.85Å; A138-F170 HydrophobicContact CB-CD1 3.52Å; A138-F170 HydrophobicContact CB-CE1 3.72Å; A138-Y173 HydrophobicContact CB-CD1 3.98Å; A138-Y173 HydrophobicContact CB-CE1 4.42Å; A138-P322 HydrophobicContact CB-CB 3.95Å; A138-P322 HydrophobicContact CB-CG 3.74Å |
| 139 | T | 89.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65 | -46.8 | 179 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | F23 R135 Q136 F141 A142 L143 Y173 Y314 | F23-T139 HydrophobicContact CD1-CG2 3.85Å; F23-T139 HydrophobicContact CD2-CG2 3.83Å; F23-T139 HydrophobicContact CE1-CG2 3.59Å; F23-T139 HydrophobicContact CE2-CG2 3.57Å; F23-T139 HydrophobicContact CG-CG2 3.97Å; F23-T139 HydrophobicContact CZ-CG2 3.43Å; F23-T139 VanDerWaalsContact CZ-CG2 3.43Å; F23-T139 WeakPolarHBondContact CZ-OG1 3.22Å; R135-T139 WeakPolarHBondContact O-CB 3.36Å; R135-T139 PolarHBondContact O-N 3.18Å; R135-T139 PolarHBondContact O-OG1 3.4Å; Q136-T139 PolarHBondContact O-N 3.15Å; T139-F141 VanDerWaalsContact C-N 3.35Å; T139-F141 PolarHBondContact O-N 3.29Å; T139-A142 PolarHBondContact O-N 2.69Å; T139-L143 HydrophobicContact CG2-CD1 3.62Å; T139-L143 HydrophobicContact CG2-CG 4.26Å; T139-L143 VanDerWaalsContact O-CB 3.27Å; T139-L143 WeakPolarHBondContact O-CB 3.35Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 3.38Å; T139-Y173 WeakPolarHBondContact OG1-CE1 2.99Å; T139-Y314 HydrophobicContact CG2-CD1 4.09Å; T139-Y314 HydrophobicContact CG2-CD2 3.99Å; T139-Y314 HydrophobicContact CG2-CG 3.74Å |
| 140 | V | 90.9 | Very high | 88.3 | Confident | 5 Ų | 5 | 17.1 Ų | 17.1 | 3% | 0.03 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 179 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | V14 F23 I100 T124 Q125 Q136 S144 | V14-V140 HydrophobicContact CG2-CG2 4.28Å; F23-V140 HydrophobicContact CE1-CG2 4.21Å; I100-V140 HydrophobicContact CD1-CG1 4.48Å; I100-V140 HydrophobicContact CG1-CG1 4.06Å; T124-V140 HydrophobicContact CG2-CG1 4.47Å; Q125-V140 HydrophobicContact CB-CG1 4.38Å; Q136-V140 WeakPolarHBondContact O-CG2 2.98Å; Q136-V140 PolarHBondContact O-N 2.84Å; V140-S144 WeakPolarHBondContact O-CB 3.34Å; V140-S144 PolarHBondContact O-N 3.19Å; V140-S144 PolarHBondContact O-OG 2.92Å |
| 141 | F | 91.8 | Very high | 89.7 | Confident | 5 Ų | 5 | 12 Ų | 12 | 2% | 0.022 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -67.4 | -42 | 179.4 | -166.9 | -75.3 | 0 | 0 | 0 | 112.3 | A50 C137 T139 S144 T145 Y153 L167 F170 | A50-F141 HydrophobicContact CB-CD2 3.75Å; A50-F141 HydrophobicContact CB-CE2 3.83Å; C137-F141 VanDerWaalsContact O-CB 3.27Å; C137-F141 WeakPolarHBondContact O-CB 3.29Å; C137-F141 PolarHBondContact O-N 2.71Å; T139-F141 VanDerWaalsContact C-N 3.35Å; T139-F141 PolarHBondContact O-N 3.29Å; F141-S144 PolarHBondContact O-N 3.15Å; F141-S144 PolarHBondContact O-OG 3.42Å; F141-T145 WeakPolarHBondContact CD1-OG1 3.39Å; F141-T145 VanDerWaalsContact CE1-OG1 3.32Å; F141-T145 WeakPolarHBondContact CE1-OG1 3.49Å; F141-T145 VanDerWaalsContact O-CB 3.29Å; F141-T145 WeakPolarHBondContact O-CB 3.34Å; F141-T145 PolarHBondContact O-N 3.24Å; F141-T145 PolarHBondContact O-OG1 3.44Å; F141-Y153 AromaticContact CE2-CD2 3.9Å; F141-Y153 HydrophobicContact CE2-CD2 3.9Å; F141-Y153 HydrophobicContact CE2-CE2 4.08Å; F141-Y153 HydrophobicContact CZ-CD2 4.33Å; F141-L167 HydrophobicContact CE1-CD1 3.65Å; F141-L167 HydrophobicContact CZ-CD1 3.55Å; F141-F170 HydrophobicContact CB-CB 3.99Å; F141-F170 HydrophobicContact CB-CD2 3.68Å; F141-F170 HydrophobicContact CB-CE2 4.32Å; F141-F170 HydrophobicContact CB-CG 3.93Å; F141-F170 HydrophobicContact CD1-CB 3.35Å; F141-F170 AromaticContact CD1-CD2 3.73Å; F141-F170 HydrophobicContact CD1-CD2 3.73Å; F141-F170 AromaticContact CD1-CG 3.97Å; F141-F170 HydrophobicContact CD1-CG 3.97Å; F141-F170 AromaticContact CD2-CD2 3.72Å; F141-F170 HydrophobicContact CD2-CD2 3.72Å; F141-F170 HydrophobicContact CD2-CE2 4.24Å; F141-F170 HydrophobicContact CE1-CB 4.04Å; F141-F170 HydrophobicContact CE1-CD2 4.3Å; F141-F170 HydrophobicContact CE2-CD2 4.28Å; F141-F170 HydrophobicContact CG-CB 3.82Å; F141-F170 AromaticContact CG-CD2 3.41Å; F141-F170 HydrophobicContact CG-CD2 3.41Å; F141-F170 VanDerWaalsContact CG-CD2 3.41Å; F141-F170 HydrophobicContact CG-CE2 4.26Å; F141-F170 AromaticContact CG-CG 3.94Å; F141-F170 HydrophobicContact CG-CG 3.94Å |
| 142 | A | 92 | Very high | 91 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.5 | -47.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | A138 T139 S144 T145 M146 Y173 Y314 | A138-A142 WeakPolarHBondContact O-CB 3.35Å; A138-A142 PolarHBondContact O-N 2.85Å; T139-A142 PolarHBondContact O-N 2.69Å; A142-S144 PolarHBondContact O-N 2.67Å; A142-T145 PolarHBondContact O-N 2.71Å; A142-M146 WeakPolarHBondContact O-CB 3.25Å; A142-M146 VanDerWaalsContact O-CG 3.3Å; A142-M146 WeakPolarHBondContact O-CG 3.39Å; A142-M146 PolarHBondContact O-N 3.07Å; A142-Y173 HydrophobicContact CB-CD1 4.04Å; A142-Y314 VanDerWaalsContact CB-OH 3.31Å; A142-Y314 WeakPolarHBondContact CB-OH 3.4Å |
| 143 | L | 92.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -57.6 | -49.4 | 174.6 | -78.8 | 167.7 | 0 | 0 | 0 | 111.4 | I12 I100 T139 T145 M146 V147 I311 Y314 | I12-L143 HydrophobicContact CD1-CD1 3.81Å; I100-L143 HydrophobicContact CD1-CB 4.05Å; T139-L143 HydrophobicContact CG2-CD1 3.62Å; T139-L143 HydrophobicContact CG2-CG 4.26Å; T139-L143 VanDerWaalsContact O-CB 3.27Å; T139-L143 WeakPolarHBondContact O-CB 3.35Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 3.38Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 3.18Å; L143-M146 HydrophobicContact CD2-CE 4.11Å; L143-M146 PolarHBondContact O-N 3.29Å; L143-V147 VanDerWaalsContact O-CG2 3.27Å; L143-V147 WeakPolarHBondContact O-CG2 3.07Å; L143-V147 PolarHBondContact O-N 3.27Å; L143-I311 HydrophobicContact CD1-CD1 3.91Å; L143-Y314 HydrophobicContact CD1-CD2 4.04Å; L143-Y314 HydrophobicContact CD1-CE2 4.38Å; L143-Y314 HydrophobicContact CD2-CD2 3.63Å; L143-Y314 HydrophobicContact CD2-CE2 3.54Å; L143-Y314 HydrophobicContact CG-CD2 3.7Å; L143-Y314 HydrophobicContact CG-CE2 3.56Å |
| 144 | S | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -61.4 | -38.7 | -179.7 | 78.1 | 0 | 0 | 0 | 0 | 112 | M122 V140 F141 A142 S148 Q151 | M122-S144 WeakPolarHBondContact CE-O 3.45Å; V140-S144 WeakPolarHBondContact O-CB 3.34Å; V140-S144 PolarHBondContact O-N 3.19Å; V140-S144 PolarHBondContact O-OG 2.92Å; F141-S144 PolarHBondContact O-N 3.15Å; F141-S144 PolarHBondContact O-OG 3.42Å; A142-S144 PolarHBondContact O-N 2.67Å; S144-S148 WeakPolarHBondContact O-CB 3.32Å; S144-S148 PolarHBondContact O-N 3.08Å; S144-S148 PolarHBondContact O-OG 3.37Å; S144-Q151 PolarHBondContact OG-OE1 2.83Å |
| 145 | T | 94.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 3.6 Ų | 3.6 | 1% | 0.012 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -69.9 | -42.5 | 178.2 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | F141 A142 L143 V147 S148 F187 F239 | F141-T145 WeakPolarHBondContact CD1-OG1 3.39Å; F141-T145 VanDerWaalsContact CE1-OG1 3.32Å; F141-T145 WeakPolarHBondContact CE1-OG1 3.49Å; F141-T145 VanDerWaalsContact O-CB 3.29Å; F141-T145 WeakPolarHBondContact O-CB 3.34Å; F141-T145 PolarHBondContact O-N 3.24Å; F141-T145 PolarHBondContact O-OG1 3.44Å; A142-T145 PolarHBondContact O-N 2.71Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 3.18Å; T145-V147 PolarHBondContact O-N 3.21Å; T145-S148 PolarHBondContact O-OG 3.31Å; T145-F187 HydrophobicContact CG2-CB 4.31Å; T145-F187 HydrophobicContact CG2-CD1 3.93Å; T145-F187 HydrophobicContact CG2-CD2 3.72Å; T145-F187 HydrophobicContact CG2-CE1 4.19Å; T145-F187 HydrophobicContact CG2-CE2 4Å; T145-F187 HydrophobicContact CG2-CG 3.7Å; T145-F187 HydrophobicContact CG2-CZ 4.23Å; T145-F239 HydrophobicContact CG2-CE1 3.8Å; T145-F239 HydrophobicContact CG2-CZ 3.94Å |
| 146 | M | 93.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 6.1 Ų | 6.1 | 1% | 0.01 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -65.5 | -37.8 | 179.6 | -75.9 | -168.3 | -58.1 | 0 | 0 | 112.9 | A142 L143 G174 A177 L178 F187 K291 Y310 Y314 | A142-M146 WeakPolarHBondContact O-CB 3.25Å; A142-M146 VanDerWaalsContact O-CG 3.3Å; A142-M146 WeakPolarHBondContact O-CG 3.39Å; A142-M146 PolarHBondContact O-N 3.07Å; L143-M146 HydrophobicContact CD2-CE 4.11Å; L143-M146 PolarHBondContact O-N 3.29Å; M146-G174 VanDerWaalsContact SD-O 3.38Å; M146-A177 HydrophobicContact CE-CB 4.24Å; M146-A177 HydrophobicContact SD-CB 4Å; M146-L178 HydrophobicContact CG-CD1 4.42Å; M146-L178 HydrophobicContact CG-CD2 4.46Å; M146-L178 HydrophobicContact CG-CG 4.44Å; M146-L178 HydrophobicContact SD-CD1 4.45Å; M146-L178 HydrophobicContact SD-CD2 3.86Å; M146-L178 HydrophobicContact SD-CG 3.86Å; M146-F187 HydrophobicContact CG-CE1 3.85Å; M146-F187 HydrophobicContact CG-CZ 4.46Å; M146-K291 WeakPolarHBondContact O-CE 3.44Å; M146-K291 PolarHBondContact O-NZ 3.27Å; M146-Y310 HydrophobicContact CB-CD2 4.08Å; M146-Y310 HydrophobicContact CB-CE2 3.86Å; M146-Y310 HydrophobicContact CE-CD1 4.19Å; M146-Y310 HydrophobicContact CE-CD2 4.07Å; M146-Y310 HydrophobicContact CE-CG 3.81Å; M146-Y310 HydrophobicContact SD-CD1 4.26Å; M146-Y310 HydrophobicContact SD-CD2 4.49Å; M146-Y310 HydrophobicContact SD-CE1 4.33Å; M146-Y310 HydrophobicContact SD-CG 4.36Å; M146-Y314 HydrophobicContact CE-CE2 3.41Å; M146-Y314 VanDerWaalsContact CE-CE2 3.41Å; M146-Y314 WeakPolarHBondContact CE-OH 3.4Å |
| 147 | V | 94.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -86.5 | -26.5 | -179.3 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | M122 L143 T145 K291 L303 F307 Y310 | M122-V147 HydrophobicContact CE-CG2 3.55Å; M122-V147 HydrophobicContact SD-CG2 3.77Å; L143-V147 VanDerWaalsContact O-CG2 3.27Å; L143-V147 WeakPolarHBondContact O-CG2 3.07Å; L143-V147 PolarHBondContact O-N 3.27Å; T145-V147 PolarHBondContact O-N 3.21Å; V147-K291 WeakPolarHBondContact O-CE 3.5Å; V147-L303 HydrophobicContact CB-CD1 4.26Å; V147-F307 HydrophobicContact CB-CE1 4.3Å; V147-F307 HydrophobicContact CB-CE2 3.95Å; V147-F307 HydrophobicContact CB-CZ 3.79Å; V147-F307 HydrophobicContact CG1-CD1 4.04Å; V147-F307 HydrophobicContact CG1-CD2 4.15Å; V147-F307 HydrophobicContact CG1-CE1 3.83Å; V147-F307 HydrophobicContact CG1-CE2 3.94Å; V147-F307 HydrophobicContact CG1-CG 4.2Å; V147-F307 HydrophobicContact CG1-CZ 3.78Å; V147-F307 HydrophobicContact CG2-CE1 4.05Å; V147-F307 HydrophobicContact CG2-CE2 4.19Å; V147-F307 HydrophobicContact CG2-CZ 3.57Å; V147-Y310 HydrophobicContact CG1-CD2 4.01Å; V147-Y310 HydrophobicContact CG1-CE2 4.3Å |
| 148 | S | 97.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 8.3 Ų | 8.3 | 2% | 0.021 | 5% | 0.046 | C | C | . | . | trans | -76.4 | 149.1 | -180 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | S144 T145 K291 | S144-S148 WeakPolarHBondContact O-CB 3.32Å; S144-S148 PolarHBondContact O-N 3.08Å; S144-S148 PolarHBondContact O-OG 3.37Å; T145-S148 PolarHBondContact O-OG 3.31Å; S148-K291 WeakPolarHBondContact O-CD 3.38Å; S148-K291 WeakPolarHBondContact O-CE 3.43Å; S148-K291 PolarHBondContact O-NZ 3.27Å | ||
| 149 | S | 97.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.007 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -94.7 | -27.6 | 166.7 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | V46 Q188 H189 V289 | V46-S149 PolarHBondContact N-OG 3.49Å; V46-S149 VanDerWaalsContact N-OG 3.13Å; V46-S149 PolarHBondContact O-N 3.24Å; V46-S149 PolarHBondContact O-OG 2.93Å; S149-Q188 WeakPolarHBondContact O-CB 3.41Å; S149-H189 PolarHBondContact O-N 2.87Å; S149-H189 VanDerWaalsContact O-N 3.13Å; S149-V289 WeakPolarHBondContact CB-O 3.4Å; S149-V289 PolarHBondContact OG-O 3.44Å |
| 150 | T | 98.2 | Very high | 95 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.012 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 116.2 | 169.1 | -61.7 | 0 | 0 | 0 | 0 | 110 | V46 V47 S48 H189 L282 | V46-T150 PolarHBondContact O-N 3.38Å; V46-T150 VanDerWaalsContact O-N 3.09Å; V47-T150 WeakPolarHBondContact CA-O 3.27Å; S48-T150 PolarHBondContact N-O 3.24Å; T150-H189 CarbonylContact C-O 3.59Å; T150-H189 WeakPolarHBondContact CA-O 3.44Å; T150-H189 HydrophobicContact CG2-CB 4.42Å; T150-H189 PolarHBondContact OG1-ND1 2.97Å; T150-L282 HydrophobicContact CG2-CD2 3.81Å |
| 151 | Q | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 118.7 | 173.2 | -177.4 | 59.5 | 66.9 | 0 | 0 | 108.8 | S48 S144 H189 L190 L191 | S48-Q151 VanDerWaalsContact CB-OE1 3.23Å; S48-Q151 PolarHBondContact O-NE2 2.88Å; S48-Q151 PolarHBondContact OG-NE2 3.05Å; S48-Q151 VanDerWaalsContact OG-NE2 3.11Å; S48-Q151 PolarHBondContact OG-OE1 3.1Å; S144-Q151 PolarHBondContact OG-OE1 2.83Å; Q151-H189 PolarHBondContact N-O 2.91Å; Q151-L190 HydrophobicContact CB-CD1 4.09Å; Q151-L190 HydrophobicContact CG-CD1 3.95Å; Q151-L190 WeakPolarHBondContact O-CA 3.25Å; Q151-L190 WeakPolarHBondContact O-CD1 3.37Å; Q151-L191 PolarHBondContact O-N 3.41Å |
| 152 | V | 98 | Very high | 95 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 115.1 | 170.7 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | V47 S48 V49 A50 L191 L193 L282 | V47-V152 HydrophobicContact CG1-CG2 4.42Å; S48-V152 WeakPolarHBondContact O-CB 3.41Å; S48-V152 PolarHBondContact O-N 2.91Å; V49-V152 HydrophobicContact CG1-CB 4.44Å; V49-V152 HydrophobicContact CG1-CG1 4.43Å; V49-V152 HydrophobicContact CG2-CB 4.13Å; V49-V152 HydrophobicContact CG2-CG2 4.48Å; A50-V152 PolarHBondContact N-O 2.89Å; V152-L191 CarbonylContact C-O 3.57Å; V152-L191 WeakPolarHBondContact CA-O 3.48Å; V152-L191 HydrophobicContact CG1-CD2 3.98Å; V152-L193 HydrophobicContact CG1-CB 3.68Å; V152-L193 HydrophobicContact CG1-CD2 4Å; V152-L193 HydrophobicContact CG1-CG 4.5Å; V152-L282 HydrophobicContact CG2-CD1 3.95Å; V152-L282 HydrophobicContact CG2-CD2 4.09Å |
| 153 | Y | 97.1 | Very high | 95 | Very high | 5 Ų | 5 | 19.9 Ų | 19.9 | 2% | 0.02 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 98.8 | 175 | -174.2 | -156.5 | 0 | 0 | 0 | 109.4 | A50 F141 I155 H163 L167 L191 F192 L193 | A50-Y153 CarbonylContact O-C 3.56Å; A50-Y153 WeakPolarHBondContact O-CA 3.49Å; F141-Y153 AromaticContact CE2-CD2 3.9Å; F141-Y153 HydrophobicContact CE2-CD2 3.9Å; F141-Y153 HydrophobicContact CE2-CE2 4.08Å; F141-Y153 HydrophobicContact CZ-CD2 4.33Å; Y153-I155 HydrophobicContact CD1-CD1 3.63Å; Y153-I155 HydrophobicContact CD1-CG1 4.11Å; Y153-I155 HydrophobicContact CD2-CG1 4.25Å; Y153-I155 HydrophobicContact CE1-CD1 3.7Å; Y153-I155 HydrophobicContact CE1-CG1 4.06Å; Y153-I155 HydrophobicContact CE2-CG1 4.18Å; Y153-I155 HydrophobicContact CG-CD1 4.13Å; Y153-I155 HydrophobicContact CG-CG1 4.21Å; Y153-I155 PolarHBondContact O-N 2.92Å; Y153-H163 HydrophobicContact CE1-CB 4.45Å; Y153-H163 PolarHBondContact OH-O 3.42Å; Y153-L167 HydrophobicContact CD1-CD1 4.4Å; Y153-L167 HydrophobicContact CD1-CD2 4.32Å; Y153-L167 HydrophobicContact CE1-CB 4.05Å; Y153-L167 HydrophobicContact CE1-CD1 4.49Å; Y153-L167 HydrophobicContact CE1-CD2 4.36Å; Y153-L191 PolarHBondContact N-O 3.4Å; Y153-F192 HydrophobicContact CD1-CD1 4.01Å; Y153-F192 AromaticContact CD1-CE1 3.77Å; Y153-F192 HydrophobicContact CD1-CE1 3.77Å; Y153-F192 HydrophobicContact CD1-CZ 4.43Å; Y153-F192 HydrophobicContact CE1-CE1 4.18Å; Y153-L193 PolarHBondContact O-N 3.19Å |
| 154 | N | 96.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 107.5 | -175 | -178.1 | 91.5 | 0 | 0 | 0 | 110.5 | V49 A50 Q55 K57 R195 | V49-N154 HydrophobicContact CG1-CB 4.06Å; A50-N154 PolarHBondContact O-N 2.97Å; Q55-N154 WeakPolarHBondContact CB-ND2 3.44Å; Q55-N154 PolarHBondContact O-ND2 2.69Å; K57-N154 HydrophobicContact CG-CB 4.18Å; N154-R195 WeakPolarHBondContact OD1-CD 3.45Å; N154-R195 VanDerWaalsContact OD1-CG 3.25Å; N154-R195 WeakPolarHBondContact OD1-CG 3.4Å; N154-R195 PolarHBondContact OD1-NH1 2.79Å; N154-R195 VanDerWaalsContact OD1-NH1 3.15Å |
| 155 | I | 95.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 148.4 | -176.1 | -68.5 | 159.8 | 0 | 0 | 0 | 109.2 | Y153 N158 I159 H163 F192 L193 R195 | Y153-I155 HydrophobicContact CD1-CD1 3.63Å; Y153-I155 HydrophobicContact CD1-CG1 4.11Å; Y153-I155 HydrophobicContact CD2-CG1 4.25Å; Y153-I155 HydrophobicContact CE1-CD1 3.7Å; Y153-I155 HydrophobicContact CE1-CG1 4.06Å; Y153-I155 HydrophobicContact CE2-CG1 4.18Å; Y153-I155 HydrophobicContact CG-CD1 4.13Å; Y153-I155 HydrophobicContact CG-CG1 4.21Å; Y153-I155 PolarHBondContact O-N 2.92Å; I155-N158 WeakPolarHBondContact CG2-O 3.41Å; I155-I159 HydrophobicContact CD1-CG1 4.41Å; I155-H163 VanDerWaalsContact CG2-CE1 3.49Å; I155-H163 WeakPolarHBondContact CG2-CE1 3.48Å; I155-H163 WeakPolarHBondContact CG2-ND1 3.38Å; I155-F192 HydrophobicContact CD1-CD1 3.54Å; I155-F192 HydrophobicContact CD1-CE1 4.12Å; I155-L193 PolarHBondContact N-O 3.26Å; I155-R195 WeakPolarHBondContact O-CB 3.42Å; I155-R195 WeakPolarHBondContact O-CG 3.49Å; I155-R195 PolarHBondContact O-N 3.39Å |
| 156 | H | 94.1 | Very high | 94.6 | Very high | 86 Ų | 86 | 24.3 Ų | 24.3 | 40% | 0.398 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 134.4 | 175.7 | 179.9 | 87.2 | 0 | 0 | 0 | 111.9 | Q55 N158 D196 | Q55-H156 HydrophobicContact CG-CB 4.39Å; Q55-H156 VanDerWaalsContact OE1-CB 3.25Å; Q55-H156 PolarHBondContact OE1-ND1 3.09Å; H156-N158 VanDerWaalsContact C-N 3.29Å; H156-N158 PolarHBondContact O-N 2.97Å; H156-D196 IonicContact CE1-OD2 3.66Å; H156-D196 PolarHBondContact CE1-OD2 3.31Å; H156-D196 IonicContact ND1-OD2 3.28Å; H156-D196 PolarHBondContact ND1-OD2 2.99Å |
| 157 | G | 94.6 | Very high | 94.5 | Very high | 20 Ų | 20 | 24.2 Ų | 24.2 | 21% | 0.206 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 75.6 | -63.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V194 R195 W197 | G157-V194 WeakPolarHBondContact O-CG1 3.27Å; G157-R195 PolarHBondContact N-O 2.81Å; G157-W197 VanDerWaalsContact O-CE3 3.31Å |
| 158 | N | 95 | Very high | 94.4 | Very high | 38 Ų | 38 | 26.8 Ų | 26.8 | 20% | 0.203 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -155.3 | 160.1 | -174 | -154.8 | -13.5 | 0 | 0 | 0 | 112.6 | I155 H156 Q160 H163 | I155-N158 WeakPolarHBondContact CG2-O 3.41Å; H156-N158 VanDerWaalsContact C-N 3.29Å; H156-N158 PolarHBondContact O-N 2.97Å; N158-Q160 PolarHBondContact O-N 2.93Å; N158-H163 PolarHBondContact O-CE1 3.19Å; N158-H163 PolarHBondContact O-ND1 3.44Å; N158-H163 VanDerWaalsContact O-ND1 3.17Å |
| 159 | I | 95.9 | Very high | 94 | Very high | 7 Ų | 7 | 29.7 Ų | 29.7 | 4% | 0.036 | 15% | 0.149 | C | C | . | . | trans | -84 | 103.4 | 171.5 | -53.6 | 175.6 | 0 | 0 | 0 | 108.3 | I155 L164 F192 V194 L213 L214 R217 | I155-I159 HydrophobicContact CD1-CG1 4.41Å; I159-L164 HydrophobicContact CG2-CD2 3.81Å; I159-L164 HydrophobicContact CG2-CG 4.23Å; I159-F192 HydrophobicContact CD1-CB 4.26Å; I159-F192 HydrophobicContact CD1-CD1 3.96Å; I159-F192 HydrophobicContact CD1-CG 4.3Å; I159-F192 HydrophobicContact CG1-CD1 4.37Å; I159-F192 HydrophobicContact CG2-CE1 4.46Å; I159-V194 HydrophobicContact CD1-CG2 4.13Å; I159-V194 HydrophobicContact CG1-CG2 3.81Å; I159-L213 HydrophobicContact CD1-CD2 4.49Å; I159-L214 HydrophobicContact CD1-CD1 3.91Å; I159-R217 HydrophobicContact CB-CG 4.42Å | ||
| 160 | Q | 93.6 | Very high | 93.5 | Very high | 106 Ų | 106 | 29.7 Ų | 29.7 | 50% | 0.495 | 15% | 0.149 | S | C | . | . | trans | -98.7 | 164.3 | 179.3 | -62.1 | -177.5 | -9.3 | 0 | 0 | 110.9 | N158 D162 H163 L164 | N158-Q160 PolarHBondContact O-N 2.93Å; Q160-D162 VanDerWaalsContact C-N 3.35Å; Q160-D162 WeakPolarHBondContact CB-OD1 3.46Å; Q160-D162 PolarHBondContact O-N 3.01Å; Q160-D162 PolarHBondContact OE1-OD1 2.8Å; Q160-H163 PolarHBondContact N-ND1 2.92Å; Q160-H163 WeakPolarHBondContact O-CB 3.44Å; Q160-H163 PolarHBondContact O-N 3.35Å; Q160-L164 PolarHBondContact O-N 2.89Å | ||
| 161 | E | 92 | Very high | 93 | Very high | 49 Ų | 49 | 29.6 Ų | 29.6 | 23% | 0.229 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.6 | -33.7 | -175.1 | -164.3 | 67.9 | -157.8 | 0 | 0 | 112.2 | H163 L164 Q165 H228 R232 | E161-H163 VanDerWaalsContact C-N 3.33Å; E161-H163 PolarHBondContact O-N 3.21Å; E161-L164 WeakPolarHBondContact O-CB 3.45Å; E161-L164 PolarHBondContact O-N 2.95Å; E161-L164 VanDerWaalsContact O-N 3.1Å; E161-Q165 WeakPolarHBondContact O-CG 3.47Å; E161-Q165 PolarHBondContact O-N 3.39Å; E161-H228 IonicContact OE1-CD2 3.59Å; E161-H228 IonicContact OE1-CG 2.84Å; E161-R232 IonicContact OE1-CZ 3.87Å; E161-R232 IonicContact OE1-NH1 3.72Å; E161-R232 PolarHBondContact OE1-NH1 2.81Å; E161-R232 IonicContact OE1-NH2 3.97Å; E161-R232 IonicContact OE2-CZ 3.9Å; E161-R232 IonicContact OE2-NH1 3.69Å; E161-R232 PolarHBondContact OE2-NH1 3.25Å; E161-R232 IonicContact OE2-NH2 3.93Å; E161-R232 PolarHBondContact OE2-NH2 3.48Å |
| 162 | D | 90.3 | Very high | 92.6 | Very high | 57 Ų | 57 | 32.7 Ų | 32.7 | 31% | 0.305 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.5 | -38.5 | 173.4 | 65.1 | -56.2 | 0 | 0 | 0 | 111.4 | Q160 L164 Q165 H166 | Q160-D162 VanDerWaalsContact C-N 3.35Å; Q160-D162 WeakPolarHBondContact CB-OD1 3.46Å; Q160-D162 PolarHBondContact O-N 3.01Å; Q160-D162 PolarHBondContact OE1-OD1 2.8Å; D162-L164 VanDerWaalsContact C-N 3.26Å; D162-L164 PolarHBondContact O-N 3.37Å; D162-Q165 PolarHBondContact O-N 3.01Å; D162-H166 WeakPolarHBondContact O-CB 3.37Å; D162-H166 PolarHBondContact O-N 3.13Å; D162-H166 PolarHBondContact O-ND1 3.32Å; D162-H166 VanDerWaalsContact O-ND1 3.16Å |
| 163 | H | 92.5 | Very high | 92 | Very high | 34 Ų | 34 | 33.2 Ų | 33.2 | 16% | 0.157 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.7 | -37.8 | 172.5 | -62 | 152.9 | 0 | 0 | 0 | 112 | Y153 I155 N158 Q160 E161 L167 | Y153-H163 HydrophobicContact CE1-CB 4.45Å; Y153-H163 PolarHBondContact OH-O 3.42Å; I155-H163 VanDerWaalsContact CG2-CE1 3.49Å; I155-H163 WeakPolarHBondContact CG2-CE1 3.48Å; I155-H163 WeakPolarHBondContact CG2-ND1 3.38Å; N158-H163 PolarHBondContact O-CE1 3.19Å; N158-H163 PolarHBondContact O-ND1 3.44Å; N158-H163 VanDerWaalsContact O-ND1 3.17Å; Q160-H163 PolarHBondContact N-ND1 2.92Å; Q160-H163 WeakPolarHBondContact O-CB 3.44Å; Q160-H163 PolarHBondContact O-N 3.35Å; E161-H163 VanDerWaalsContact C-N 3.33Å; E161-H163 PolarHBondContact O-N 3.21Å; H163-L167 WeakPolarHBondContact O-CB 3.43Å; H163-L167 PolarHBondContact O-N 3.37Å; H163-L167 VanDerWaalsContact O-N 3.08Å |
| 164 | L | 93.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.2 | -39.3 | 177.2 | -58.9 | -175.7 | 0 | 0 | 0 | 112.1 | I159 Q160 E161 D162 L167 H168 F192 L218 V231 I235 | I159-L164 HydrophobicContact CG2-CD2 3.81Å; I159-L164 HydrophobicContact CG2-CG 4.23Å; Q160-L164 PolarHBondContact O-N 2.89Å; E161-L164 WeakPolarHBondContact O-CB 3.45Å; E161-L164 PolarHBondContact O-N 2.95Å; E161-L164 VanDerWaalsContact O-N 3.1Å; D162-L164 VanDerWaalsContact C-N 3.26Å; D162-L164 PolarHBondContact O-N 3.37Å; L164-L167 PolarHBondContact O-N 3.18Å; L164-H168 WeakPolarHBondContact O-CB 3.14Å; L164-H168 PolarHBondContact O-N 3.01Å; L164-F192 HydrophobicContact CD2-CE1 4.03Å; L164-F192 HydrophobicContact CD2-CZ 4.26Å; L164-L218 HydrophobicContact CD1-CD2 4.07Å; L164-L218 HydrophobicContact CD2-CD2 4.06Å; L164-V231 HydrophobicContact CB-CG1 3.82Å; L164-I235 HydrophobicContact CB-CD1 4.07Å; L164-I235 HydrophobicContact CD2-CD1 4Å |
| 165 | Q | 90.3 | Very high | 90.9 | Very high | 51 Ų | 51 | 38.1 Ų | 38.1 | 24% | 0.238 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.3 | -42.6 | 175 | -74.4 | 177.3 | -25.1 | 0 | 0 | 111.6 | E161 D162 H168 L169 E227 V231 | E161-Q165 WeakPolarHBondContact O-CG 3.47Å; E161-Q165 PolarHBondContact O-N 3.39Å; D162-Q165 PolarHBondContact O-N 3.01Å; Q165-H168 WeakPolarHBondContact O-CB 3.29Å; Q165-H168 PolarHBondContact O-N 2.93Å; Q165-L169 PolarHBondContact O-N 2.87Å; Q165-E227 PolarHBondContact NE2-OE1 3.31Å; Q165-V231 HydrophobicContact CG-CG2 4.42Å |
| 166 | H | 88.8 | Confident | 90.4 | Very high | 41 Ų | 41 | 41.9 Ų | 41.9 | 19% | 0.19 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 174.3 | -67.5 | 149.5 | 0 | 0 | 0 | 111.8 | F128 D162 H168 L169 F170 | F128-H166 AromaticContact CE1-CD2 3.92Å; F128-H166 AromaticContact CE1-CE1 3.63Å; F128-H166 AromaticContact CE1-ND1 3.96Å; F128-H166 AromaticContact CE1-NE2 3.59Å; F128-H166 AromaticContact CE2-CE1 3.94Å; F128-H166 AromaticContact CE2-ND1 3.58Å; F128-H166 HydrophobicContact CZ-CB 3.97Å; F128-H166 AromaticContact CZ-CD2 3.58Å; F128-H166 AromaticContact CZ-CE1 3.35Å; F128-H166 WeakPolarHBondContact CZ-CE1 3.27Å; F128-H166 AromaticContact CZ-CG 3.34Å; F128-H166 AromaticContact CZ-ND1 3.19Å; F128-H166 WeakPolarHBondContact CZ-ND1 3.44Å; F128-H166 AromaticContact CZ-NE2 3.59Å; D162-H166 WeakPolarHBondContact O-CB 3.37Å; D162-H166 PolarHBondContact O-N 3.13Å; D162-H166 PolarHBondContact O-ND1 3.32Å; D162-H166 VanDerWaalsContact O-ND1 3.16Å; H166-H168 VanDerWaalsContact C-N 3.31Å; H166-H168 PolarHBondContact O-N 3.49Å; H166-L169 PolarHBondContact O-N 3.06Å; H166-F170 HydrophobicContact CB-CE2 4.04Å; H166-F170 HydrophobicContact CB-CZ 4.23Å; H166-F170 WeakPolarHBondContact O-CD1 3.43Å; H166-F170 VanDerWaalsContact O-CD2 3.25Å; H166-F170 WeakPolarHBondContact O-CD2 3.22Å; H166-F170 WeakPolarHBondContact O-CG 3.31Å; H166-F170 PolarHBondContact O-N 2.87Å |
| 167 | L | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.2 | -47.6 | 175.5 | 179.3 | 64.2 | 0 | 0 | 0 | 110.7 | F141 Y153 H163 L164 L169 F170 T171 L190 F192 I235 | F141-L167 HydrophobicContact CE1-CD1 3.65Å; F141-L167 HydrophobicContact CZ-CD1 3.55Å; Y153-L167 HydrophobicContact CD1-CD1 4.4Å; Y153-L167 HydrophobicContact CD1-CD2 4.32Å; Y153-L167 HydrophobicContact CE1-CB 4.05Å; Y153-L167 HydrophobicContact CE1-CD1 4.49Å; Y153-L167 HydrophobicContact CE1-CD2 4.36Å; H163-L167 WeakPolarHBondContact O-CB 3.43Å; H163-L167 PolarHBondContact O-N 3.37Å; H163-L167 VanDerWaalsContact O-N 3.08Å; L164-L167 PolarHBondContact O-N 3.18Å; L167-L169 PolarHBondContact O-N 3.35Å; L167-F170 PolarHBondContact O-N 3.32Å; L167-T171 HydrophobicContact CD1-CG2 3.83Å; L167-T171 HydrophobicContact CG-CG2 4.28Å; L167-T171 WeakPolarHBondContact O-CB 2.88Å; L167-T171 WeakPolarHBondContact O-CG2 3.35Å; L167-T171 PolarHBondContact O-N 2.73Å; L167-T171 PolarHBondContact O-OG1 2.97Å; L167-L190 HydrophobicContact CD1-CD2 4.18Å; L167-L190 HydrophobicContact CD2-CD2 3.61Å; L167-L190 HydrophobicContact CG-CD2 4.5Å; L167-F192 HydrophobicContact CD2-CE1 4.14Å; L167-F192 HydrophobicContact CD2-CE2 4.41Å; L167-F192 HydrophobicContact CD2-CZ 3.53Å; L167-I235 HydrophobicContact CD2-CD1 3.99Å; L167-I235 HydrophobicContact CD2-CG1 4.06Å; L167-I235 HydrophobicContact CD2-CG2 4.08Å; L167-I235 HydrophobicContact CG-CG1 4.4Å |
| 168 | H | 91.5 | Very high | 89 | Confident | 55 Ų | 55 | 38.4 Ų | 38.4 | 26% | 0.255 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56.6 | -48.4 | 175.9 | 176.2 | -166.8 | 0 | 0 | 0 | 112.1 | L164 Q165 H166 F170 T171 E172 V231 H234 | L164-H168 WeakPolarHBondContact O-CB 3.14Å; L164-H168 PolarHBondContact O-N 3.01Å; Q165-H168 WeakPolarHBondContact O-CB 3.29Å; Q165-H168 PolarHBondContact O-N 2.93Å; H166-H168 VanDerWaalsContact C-N 3.31Å; H166-H168 PolarHBondContact O-N 3.49Å; H168-F170 VanDerWaalsContact C-N 3.33Å; H168-F170 PolarHBondContact O-N 2.73Å; H168-T171 PolarHBondContact O-N 2.86Å; H168-T171 PolarHBondContact O-OG1 3.41Å; H168-E172 VanDerWaalsContact O-CB 3.3Å; H168-E172 WeakPolarHBondContact O-CB 3.42Å; H168-E172 PolarHBondContact O-N 3.24Å; H168-V231 HydrophobicContact CB-CG1 4.15Å; H168-H234 AromaticContact CD2-CD2 3.07Å; H168-H234 PolarHBondContact CD2-CD2 3.38Å; H168-H234 AromaticContact CD2-CE1 3.83Å; H168-H234 AromaticContact CD2-CG 3.23Å; H168-H234 AromaticContact CD2-ND1 3.7Å; H168-H234 AromaticContact CD2-NE2 3.49Å; H168-H234 PolarHBondContact CD2-NE2 2.84Å; H168-H234 AromaticContact CG-CD2 3.76Å; H168-H234 AromaticContact NE2-CD2 3.85Å; H168-H234 AromaticContact NE2-CG 3.49Å; H168-H234 AromaticContact NE2-ND1 3.78Å |
| 169 | L | 88.8 | Confident | 87.6 | Confident | 64 Ų | 64 | 44 Ų | 44 | 34% | 0.335 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.6 | -46.7 | 177.4 | 177.5 | 63.4 | 0 | 0 | 0 | 111.5 | V134 Q165 H166 L167 Y173 | V134-L169 HydrophobicContact CG1-CD2 4.03Å; Q165-L169 PolarHBondContact O-N 2.87Å; H166-L169 PolarHBondContact O-N 3.06Å; L167-L169 PolarHBondContact O-N 3.35Å; L169-Y173 VanDerWaalsContact O-CB 3.32Å; L169-Y173 WeakPolarHBondContact O-CB 3.45Å; L169-Y173 PolarHBondContact O-N 3.26Å |
| 170 | F | 88.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.9 | -36.5 | -175.6 | -55.4 | -23.3 | 0 | 0 | 0 | 112.5 | F128 C137 A138 F141 H166 L167 H168 Y173 G174 | F128-F170 HydrophobicContact CE1-CZ 4.37Å; F128-F170 HydrophobicContact CE2-CZ 4.44Å; F128-F170 HydrophobicContact CZ-CE2 4.17Å; F128-F170 AromaticContact CZ-CZ 3.71Å; F128-F170 HydrophobicContact CZ-CZ 3.71Å; C137-F170 HydrophobicContact CB-CE1 4.44Å; C137-F170 HydrophobicContact CB-CZ 4.08Å; A138-F170 HydrophobicContact CB-CD1 3.52Å; A138-F170 HydrophobicContact CB-CE1 3.72Å; F141-F170 HydrophobicContact CB-CB 3.99Å; F141-F170 HydrophobicContact CB-CD2 3.68Å; F141-F170 HydrophobicContact CB-CE2 4.32Å; F141-F170 HydrophobicContact CB-CG 3.93Å; F141-F170 HydrophobicContact CD1-CB 3.35Å; F141-F170 AromaticContact CD1-CD2 3.73Å; F141-F170 HydrophobicContact CD1-CD2 3.73Å; F141-F170 AromaticContact CD1-CG 3.97Å; F141-F170 HydrophobicContact CD1-CG 3.97Å; F141-F170 AromaticContact CD2-CD2 3.72Å; F141-F170 HydrophobicContact CD2-CD2 3.72Å; F141-F170 HydrophobicContact CD2-CE2 4.24Å; F141-F170 HydrophobicContact CE1-CB 4.04Å; F141-F170 HydrophobicContact CE1-CD2 4.3Å; F141-F170 HydrophobicContact CE2-CD2 4.28Å; F141-F170 HydrophobicContact CG-CB 3.82Å; F141-F170 AromaticContact CG-CD2 3.41Å; F141-F170 HydrophobicContact CG-CD2 3.41Å; F141-F170 VanDerWaalsContact CG-CD2 3.41Å; F141-F170 HydrophobicContact CG-CE2 4.26Å; F141-F170 AromaticContact CG-CG 3.94Å; F141-F170 HydrophobicContact CG-CG 3.94Å; H166-F170 HydrophobicContact CB-CE2 4.04Å; H166-F170 HydrophobicContact CB-CZ 4.23Å; H166-F170 WeakPolarHBondContact O-CD1 3.43Å; H166-F170 VanDerWaalsContact O-CD2 3.25Å; H166-F170 WeakPolarHBondContact O-CD2 3.22Å; H166-F170 WeakPolarHBondContact O-CG 3.31Å; H166-F170 PolarHBondContact O-N 2.87Å; L167-F170 PolarHBondContact O-N 3.32Å; H168-F170 VanDerWaalsContact C-N 3.33Å; H168-F170 PolarHBondContact O-N 2.73Å; F170-Y173 PolarHBondContact O-N 2.79Å; F170-G174 PolarHBondContact O-N 2.84Å |
| 171 | T | 87.3 | Confident | 84 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -74.1 | -36.8 | 177.8 | 52.3 | 0 | 0 | 0 | 0 | 112.2 | L167 H168 Y173 G174 R175 F187 H234 F239 | L167-T171 HydrophobicContact CD1-CG2 3.83Å; L167-T171 HydrophobicContact CG-CG2 4.28Å; L167-T171 WeakPolarHBondContact O-CB 2.88Å; L167-T171 WeakPolarHBondContact O-CG2 3.35Å; L167-T171 PolarHBondContact O-N 2.73Å; L167-T171 PolarHBondContact O-OG1 2.97Å; H168-T171 PolarHBondContact O-N 2.86Å; H168-T171 PolarHBondContact O-OG1 3.41Å; T171-Y173 VanDerWaalsContact C-N 3.34Å; T171-G174 PolarHBondContact O-N 3.2Å; T171-R175 WeakPolarHBondContact O-CB 3.2Å; T171-R175 PolarHBondContact O-N 3.18Å; T171-F187 HydrophobicContact CG2-CD2 4.44Å; T171-F187 HydrophobicContact CG2-CE2 4.11Å; T171-H234 PolarHBondContact OG1-CD2 3.2Å; T171-H234 PolarHBondContact OG1-NE2 3.12Å; T171-F239 HydrophobicContact CG2-CE2 3.65Å; T171-F239 HydrophobicContact CG2-CZ 3.59Å |
| 172 | E | 88.5 | Confident | 82.6 | Confident | 66 Ų | 66 | 51 Ų | 51 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 171.8 | -172.6 | 69.2 | 177.4 | 0 | 0 | 110.6 | H168 G174 R175 L176 H234 | H168-E172 VanDerWaalsContact O-CB 3.3Å; H168-E172 WeakPolarHBondContact O-CB 3.42Å; H168-E172 PolarHBondContact O-N 3.24Å; E172-G174 VanDerWaalsContact C-N 3.33Å; E172-G174 PolarHBondContact O-N 2.87Å; E172-R175 PolarHBondContact O-N 2.78Å; E172-R175 VanDerWaalsContact O-N 3.15Å; E172-L176 WeakPolarHBondContact O-CG 3.06Å; E172-L176 PolarHBondContact O-N 3.27Å; E172-H234 IonicContact OE2-CE1 3.69Å; E172-H234 PolarHBondContact OE2-CE1 3.11Å; E172-H234 IonicContact OE2-ND1 4Å; E172-H234 PolarHBondContact OE2-ND1 2.85Å |
| 173 | Y | 85.9 | Confident | 81.3 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 175.5 | -166.1 | -125.5 | 0 | 0 | 0 | 113 | A138 T139 A142 L169 F170 T171 Y314 L319 P320 P322 | A138-Y173 HydrophobicContact CB-CD1 3.98Å; A138-Y173 HydrophobicContact CB-CE1 4.42Å; T139-Y173 WeakPolarHBondContact OG1-CE1 2.99Å; A142-Y173 HydrophobicContact CB-CD1 4.04Å; L169-Y173 VanDerWaalsContact O-CB 3.32Å; L169-Y173 WeakPolarHBondContact O-CB 3.45Å; L169-Y173 PolarHBondContact O-N 3.26Å; F170-Y173 PolarHBondContact O-N 2.79Å; T171-Y173 VanDerWaalsContact C-N 3.34Å; Y173-Y314 HydrophobicContact CD1-CD1 4.43Å; Y173-Y314 AromaticContact CD1-CE1 3.64Å; Y173-Y314 HydrophobicContact CD1-CE1 3.64Å; Y173-Y314 AromaticContact CE1-CD1 3.54Å; Y173-Y314 HydrophobicContact CE1-CD1 3.54Å; Y173-Y314 AromaticContact CE1-CE1 3.17Å; Y173-Y314 HydrophobicContact CE1-CE1 3.17Å; Y173-Y314 HydrophobicContact CE2-CE1 4.27Å; Y173-Y314 HydrophobicContact CG-CE1 4.37Å; Y173-Y314 AromaticContact CZ-CD1 3.66Å; Y173-Y314 AromaticContact CZ-CE1 3.53Å; Y173-Y314 PolarHBondContact O-OH 3.07Å; Y173-Y314 WeakPolarHBondContact OH-CD1 3.25Å; Y173-L319 HydrophobicContact CE2-CB 3.91Å; Y173-L319 HydrophobicContact CE2-CD1 4.04Å; Y173-P320 VanDerWaalsContact CE2-O 3.3Å; Y173-P320 WeakPolarHBondContact CE2-O 3.44Å; Y173-P322 HydrophobicContact CD1-CG 4.07Å; Y173-P322 HydrophobicContact CD2-CG 3.79Å; Y173-P322 HydrophobicContact CE1-CG 3.92Å; Y173-P322 HydrophobicContact CE2-CG 3.68Å; Y173-P322 HydrophobicContact CG-CG 3.99Å |
| 174 | G | 85.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M146 F170 T171 E172 L176 A177 L178 | M146-G174 VanDerWaalsContact SD-O 3.38Å; F170-G174 PolarHBondContact O-N 2.84Å; T171-G174 PolarHBondContact O-N 3.2Å; E172-G174 VanDerWaalsContact C-N 3.33Å; E172-G174 PolarHBondContact O-N 2.87Å; G174-L176 PolarHBondContact O-N 3.48Å; G174-A177 WeakPolarHBondContact O-CB 3.4Å; G174-A177 PolarHBondContact O-N 2.83Å; G174-A177 VanDerWaalsContact O-N 3.16Å; G174-L178 PolarHBondContact O-N 3.31Å |
| 175 | R | 85.9 | Confident | 80 | Confident | 110 Ų | 110 | 58.4 Ų | 58.4 | 42% | 0.415 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | -179.5 | -171.8 | -178 | -177.5 | -169.3 | 2.6 | 112.6 | T171 E172 A177 L178 | T171-R175 WeakPolarHBondContact O-CB 3.2Å; T171-R175 PolarHBondContact O-N 3.18Å; E172-R175 PolarHBondContact O-N 2.78Å; E172-R175 VanDerWaalsContact O-N 3.15Å; R175-A177 PolarHBondContact O-N 3.45Å; R175-L178 PolarHBondContact O-N 3.49Å; R175-L178 VanDerWaalsContact O-N 3.11Å |
| 176 | L | 84.3 | Confident | 79.9 | Confident | 82 Ų | 82 | 56.9 Ų | 56.9 | 43% | 0.429 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.4 | -33.2 | 176.1 | -71.6 | 171.7 | 0 | 0 | 0 | 112.2 | E172 G174 L178 L319 P320 | E172-L176 WeakPolarHBondContact O-CG 3.06Å; E172-L176 PolarHBondContact O-N 3.27Å; G174-L176 PolarHBondContact O-N 3.48Å; L176-L178 VanDerWaalsContact C-N 3.29Å; L176-L178 PolarHBondContact O-N 2.76Å; L176-L319 HydrophobicContact CB-CD2 3.9Å; L176-P320 HydrophobicContact CD1-CG 3.88Å |
| 177 | A | 78.7 | Confident | 80.2 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.1 | -16.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | M146 G174 R175 I313 Y314 L319 | M146-A177 HydrophobicContact CE-CB 4.24Å; M146-A177 HydrophobicContact SD-CB 4Å; G174-A177 WeakPolarHBondContact O-CB 3.4Å; G174-A177 PolarHBondContact O-N 2.83Å; G174-A177 VanDerWaalsContact O-N 3.16Å; R175-A177 PolarHBondContact O-N 3.45Å; A177-I313 HydrophobicContact CB-CG2 4.11Å; A177-I313 WeakPolarHBondContact O-CD1 3.41Å; A177-Y314 HydrophobicContact CB-CE1 4.44Å; A177-L319 HydrophobicContact CB-CD1 4.01Å |
| 178 | L | 79.3 | Confident | 80.4 | Confident | 28 Ų | 28 | 56.3 Ų | 56.3 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 0 | -178.5 | -67.7 | 177 | 0 | 0 | 0 | 114.2 | M146 G174 R175 L176 I182 P186 F187 Y310 | M146-L178 HydrophobicContact CG-CD1 4.42Å; M146-L178 HydrophobicContact CG-CD2 4.46Å; M146-L178 HydrophobicContact CG-CG 4.44Å; M146-L178 HydrophobicContact SD-CD1 4.45Å; M146-L178 HydrophobicContact SD-CD2 3.86Å; M146-L178 HydrophobicContact SD-CG 3.86Å; G174-L178 PolarHBondContact O-N 3.31Å; R175-L178 PolarHBondContact O-N 3.49Å; R175-L178 VanDerWaalsContact O-N 3.11Å; L176-L178 VanDerWaalsContact C-N 3.29Å; L176-L178 PolarHBondContact O-N 2.76Å; L178-I182 HydrophobicContact CB-CD1 3.62Å; L178-I182 HydrophobicContact CD1-CD1 4.09Å; L178-I182 HydrophobicContact CG-CD1 4.39Å; L178-P186 HydrophobicContact CD1-CB 3.88Å; L178-F187 HydrophobicContact CD1-CE1 3.82Å; L178-F187 HydrophobicContact CD1-CZ 4.46Å; L178-Y310 HydrophobicContact CD2-CE1 3.51Å; L178-Y310 VanDerWaalsContact CD2-OH 3.23Å; L178-Y310 WeakPolarHBondContact CD2-OH 3.25Å |
| 179 | E | 66.5 | Low | 80.6 | Confident | 156 Ų | 156 | 54.1 Ų | 54.1 | 73% | 0.729 | 31% | 0.305 | S | S | * | . | trans | 62.5 | 151.7 | -176.2 | -59.3 | 179.6 | 173.9 | 0 | 0 | 114.1 | D181 | E179-D181 VanDerWaalsContact C-N 3.26Å; E179-D181 PolarHBondContact O-N 3.46Å | ||
| 180 | S | 56.5 | Low | 81.1 | Confident | 118 Ų | 118 | 51 Ų | 51 | 83% | 0.825 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -4.1 | -159.4 | 46 | 0 | 0 | 0 | 0 | 117.3 | ||
| 181 | D | 57.6 | Low | 81.5 | Confident | 148 Ų | 148 | 51 Ų | 51 | 79% | 0.791 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 8.7 | -166.3 | -70.3 | -7.8 | 0 | 0 | 0 | 114.3 | E179 S183 | E179-D181 VanDerWaalsContact C-N 3.26Å; E179-D181 PolarHBondContact O-N 3.46Å; D181-S183 PolarHBondContact O-N 3.39Å |
| 182 | I | 62 | Low | 82.1 | Confident | 42 Ų | 42 | 51 Ų | 51 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | trans | -74.2 | 101 | 176.3 | -54.9 | -178.2 | 0 | 0 | 0 | 109.6 | L178 G184 N294 | L178-I182 HydrophobicContact CB-CD1 3.62Å; L178-I182 HydrophobicContact CD1-CD1 4.09Å; L178-I182 HydrophobicContact CG-CD1 4.39Å; I182-G184 PolarHBondContact O-N 3.08Å; I182-N294 VanDerWaalsContact CD1-OD1 3.28Å; I182-N294 WeakPolarHBondContact CD1-OD1 3.36Å; I182-N294 WeakPolarHBondContact CG1-OD1 3.45Å | ||
| 183 | S | 63 | Low | 82.5 | Confident | 129 Ų | 129 | 47.9 Ų | 47.9 | 90% | 0.902 | 28% | 0.275 | S | S | * | . | trans | -75.4 | 60.7 | 170.1 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | D181 | D181-S183 PolarHBondContact O-N 3.39Š| ||
| 184 | G | 74.6 | Confident | 83.1 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 49% | 0.485 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 175.2 | -168.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | I182 | I182-G184 PolarHBondContact O-N 3.08Š|
| 185 | T | 85.4 | Confident | 83.7 | Confident | 73 Ų | 73 | 47.9 Ų | 47.9 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | trans | -78.9 | 120.1 | 173.8 | 43 | 0 | 0 | 0 | 0 | 109.2 | F187 | T185-F187 VanDerWaalsContact C-N 3.34Å; T185-F187 PolarHBondContact O-N 3.08Å | ||
| 186 | P | 88.5 | Confident | 84.2 | Confident | 19 Ų | 19 | 43.8 Ų | 43.8 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -70.6 | -28.6 | -174.9 | 26.5 | -35.1 | 0 | 0 | 0 | 113.4 | L178 C238 | L178-P186 HydrophobicContact CD1-CB 3.88Å; P186-C238 VanDerWaalsContact CD-O 3.3Å; P186-C238 WeakPolarHBondContact CD-O 3.1Å; P186-C238 HydrophobicContact CG-CB 4.4Å; P186-C238 WeakPolarHBondContact CG-O 3.48Å |
| 187 | F | 93.9 | Very high | 84.8 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 160.8 | -176.5 | -44.8 | -49.2 | 0 | 0 | 0 | 111.1 | T145 M146 T171 L178 T185 C238 F239 S240 | T145-F187 HydrophobicContact CG2-CB 4.31Å; T145-F187 HydrophobicContact CG2-CD1 3.93Å; T145-F187 HydrophobicContact CG2-CD2 3.72Å; T145-F187 HydrophobicContact CG2-CE1 4.19Å; T145-F187 HydrophobicContact CG2-CE2 4Å; T145-F187 HydrophobicContact CG2-CG 3.7Å; T145-F187 HydrophobicContact CG2-CZ 4.23Å; M146-F187 HydrophobicContact CG-CE1 3.85Å; M146-F187 HydrophobicContact CG-CZ 4.46Å; T171-F187 HydrophobicContact CG2-CD2 4.44Å; T171-F187 HydrophobicContact CG2-CE2 4.11Å; L178-F187 HydrophobicContact CD1-CE1 3.82Å; L178-F187 HydrophobicContact CD1-CZ 4.46Å; T185-F187 VanDerWaalsContact C-N 3.34Å; T185-F187 PolarHBondContact O-N 3.08Å; F187-C238 WeakPolarHBondContact CA-O 3.42Å; F187-C238 VanDerWaalsContact CB-O 3.32Å; F187-C238 WeakPolarHBondContact CB-O 3.41Å; F187-C238 HydrophobicContact CD2-CB 3.97Å; F187-C238 HydrophobicContact CE2-CB 4.27Å; F187-C238 PolarHBondContact N-O 2.9Å; F187-F239 HydrophobicContact CB-CD1 3.45Å; F187-F239 VanDerWaalsContact CB-CD1 3.45Å; F187-F239 HydrophobicContact CB-CE1 3.52Å; F187-F239 HydrophobicContact CB-CG 4.3Å; F187-F239 HydrophobicContact CB-CZ 4.41Å; F187-F239 HydrophobicContact CD2-CD1 4.25Å; F187-F239 AromaticContact CD2-CE1 3.76Å; F187-F239 HydrophobicContact CD2-CE1 3.76Å; F187-F239 HydrophobicContact CD2-CE2 4.33Å; F187-F239 AromaticContact CD2-CZ 3.81Å; F187-F239 HydrophobicContact CD2-CZ 3.81Å; F187-F239 HydrophobicContact CG-CD1 4.31Å; F187-F239 AromaticContact CG-CE1 3.98Å; F187-F239 HydrophobicContact CG-CE1 3.98Å; F187-F239 HydrophobicContact CG-CZ 4.47Å; F187-F239 WeakPolarHBondContact O-CA 3.37Å; F187-S240 PolarHBondContact O-N 3.41Å |
| 188 | Q | 95.6 | Very high | 85.7 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 12% | 0.117 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -97.1 | -173.6 | -64.8 | 174.5 | -84.4 | 0 | 0 | 111.2 | S149 S240 K241 V289 V290 | S149-Q188 WeakPolarHBondContact O-CB 3.41Å; Q188-S240 VanDerWaalsContact CA-OG 3.32Å; Q188-S240 WeakPolarHBondContact CA-OG 3.32Å; Q188-S240 PolarHBondContact O-N 2.86Å; Q188-S240 PolarHBondContact O-OG 2.93Å; Q188-K241 PolarHBondContact O-N 3.17Å; Q188-V289 HydrophobicContact CB-CG1 4.29Å; Q188-V289 VanDerWaalsContact NE2-CG1 3.33Å; Q188-V290 PolarHBondContact NE2-O 3.33Å |
| 189 | H | 97.5 | Very high | 86.5 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.8 | -171.6 | -176 | -158.5 | 0 | 0 | 0 | 111.4 | S149 T150 Q151 K241 D243 V289 | S149-H189 PolarHBondContact O-N 2.87Å; S149-H189 VanDerWaalsContact O-N 3.13Å; T150-H189 CarbonylContact C-O 3.59Å; T150-H189 WeakPolarHBondContact CA-O 3.44Å; T150-H189 HydrophobicContact CG2-CB 4.42Å; T150-H189 PolarHBondContact OG1-ND1 2.97Å; Q151-H189 PolarHBondContact N-O 2.91Å; H189-K241 WeakPolarHBondContact CA-O 3.25Å; H189-K241 HydrophobicContact CB-CB 4.43Å; H189-D243 WeakPolarHBondContact NE2-CB 3.38Å; H189-D243 IonicContact NE2-OD2 3.35Å; H189-V289 HydrophobicContact CB-CG2 4.49Å |
| 190 | L | 97.9 | Very high | 88 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 121.4 | 167.8 | 175.5 | 69.1 | 0 | 0 | 0 | 109.7 | Q151 L167 F192 F239 K241 L242 D243 | Q151-L190 HydrophobicContact CB-CD1 4.09Å; Q151-L190 HydrophobicContact CG-CD1 3.95Å; Q151-L190 WeakPolarHBondContact O-CA 3.25Å; Q151-L190 WeakPolarHBondContact O-CD1 3.37Å; L167-L190 HydrophobicContact CD1-CD2 4.18Å; L167-L190 HydrophobicContact CD2-CD2 3.61Å; L167-L190 HydrophobicContact CG-CD2 4.5Å; L190-F192 HydrophobicContact CD2-CD2 4.29Å; L190-F192 HydrophobicContact CD2-CE2 3.52Å; L190-F192 HydrophobicContact CD2-CZ 3.91Å; L190-F192 HydrophobicContact CG-CD2 4.31Å; L190-F192 HydrophobicContact CG-CE2 4.02Å; L190-F239 HydrophobicContact CB-CB 4.37Å; L190-F239 HydrophobicContact CB-CD1 3.51Å; L190-F239 HydrophobicContact CB-CD2 4.09Å; L190-F239 HydrophobicContact CB-CE1 3.7Å; L190-F239 HydrophobicContact CB-CE2 4.26Å; L190-F239 HydrophobicContact CB-CG 3.72Å; L190-F239 HydrophobicContact CB-CZ 4.07Å; L190-F239 HydrophobicContact CD1-CE1 4.44Å; L190-F239 HydrophobicContact CD1-CZ 4.33Å; L190-F239 HydrophobicContact CD2-CD2 3.83Å; L190-F239 HydrophobicContact CD2-CE1 4.34Å; L190-F239 HydrophobicContact CD2-CE2 3.54Å; L190-F239 HydrophobicContact CD2-CG 4.34Å; L190-F239 HydrophobicContact CD2-CZ 3.83Å; L190-F239 HydrophobicContact CG-CE1 4.39Å; L190-F239 HydrophobicContact CG-CE2 4.42Å; L190-F239 HydrophobicContact CG-CZ 4.31Å; L190-K241 PolarHBondContact N-O 3.24Å; L190-L242 HydrophobicContact CB-CD2 3.93Å; L190-L242 HydrophobicContact CD2-CD2 3.9Å; L190-L242 HydrophobicContact CG-CD2 4.34Å; L190-L242 WeakPolarHBondContact O-CA 3.38Å; L190-D243 PolarHBondContact O-N 3.1Å |
| 191 | L | 98.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 119.1 | 172.5 | -176.4 | 142.5 | 0 | 0 | 0 | 109.9 | Q151 V152 Y153 L193 D243 F245 L282 | Q151-L191 PolarHBondContact O-N 3.41Å; V152-L191 CarbonylContact C-O 3.57Å; V152-L191 WeakPolarHBondContact CA-O 3.48Å; V152-L191 HydrophobicContact CG1-CD2 3.98Å; Y153-L191 PolarHBondContact N-O 3.4Å; L191-L193 HydrophobicContact CD2-CB 3.77Å; L191-L193 HydrophobicContact CD2-CD1 4.41Å; L191-L193 PolarHBondContact O-N 3.37Å; L191-D243 CarbonylContact C-O 3.52Å; L191-D243 WeakPolarHBondContact CA-O 3.37Å; L191-D243 HydrophobicContact CB-CB 4.47Å; L191-D243 HydrophobicContact CD1-CB 4.29Å; L191-D243 HydrophobicContact CG-CB 4.41Å; L191-F245 HydrophobicContact CD1-CB 4.47Å; L191-F245 HydrophobicContact CD2-CB 4.25Å; L191-L282 HydrophobicContact CD1-CD2 3.9Å; L191-L282 HydrophobicContact CD1-CG 4.38Å |
| 192 | F | 98.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 110.1 | 167.9 | -73.5 | -102.6 | 0 | 0 | 0 | 108.8 | Y153 I155 I159 L164 L167 L190 L214 L242 D243 C244 F245 | Y153-F192 HydrophobicContact CD1-CD1 4.01Å; Y153-F192 AromaticContact CD1-CE1 3.77Å; Y153-F192 HydrophobicContact CD1-CE1 3.77Å; Y153-F192 HydrophobicContact CD1-CZ 4.43Å; Y153-F192 HydrophobicContact CE1-CE1 4.18Å; I155-F192 HydrophobicContact CD1-CD1 3.54Å; I155-F192 HydrophobicContact CD1-CE1 4.12Å; I159-F192 HydrophobicContact CD1-CB 4.26Å; I159-F192 HydrophobicContact CD1-CD1 3.96Å; I159-F192 HydrophobicContact CD1-CG 4.3Å; I159-F192 HydrophobicContact CG1-CD1 4.37Å; I159-F192 HydrophobicContact CG2-CE1 4.46Å; L164-F192 HydrophobicContact CD2-CE1 4.03Å; L164-F192 HydrophobicContact CD2-CZ 4.26Å; L167-F192 HydrophobicContact CD2-CE1 4.14Å; L167-F192 HydrophobicContact CD2-CE2 4.41Å; L167-F192 HydrophobicContact CD2-CZ 3.53Å; L190-F192 HydrophobicContact CD2-CD2 4.29Å; L190-F192 HydrophobicContact CD2-CE2 3.52Å; L190-F192 HydrophobicContact CD2-CZ 3.91Å; L190-F192 HydrophobicContact CG-CD2 4.31Å; L190-F192 HydrophobicContact CG-CE2 4.02Å; F192-L214 HydrophobicContact CD1-CD1 4.28Å; F192-L214 HydrophobicContact CD2-CD1 3.66Å; F192-L214 HydrophobicContact CD2-CD2 3.9Å; F192-L214 HydrophobicContact CD2-CG 4.47Å; F192-L214 HydrophobicContact CE1-CD1 4.43Å; F192-L214 HydrophobicContact CE2-CD1 3.83Å; F192-L214 HydrophobicContact CE2-CD2 4.34Å; F192-L214 HydrophobicContact CG-CD1 3.91Å; F192-L214 HydrophobicContact CZ-CD1 4.22Å; F192-L242 HydrophobicContact CE2-CD2 4.45Å; F192-D243 PolarHBondContact N-O 2.73Å; F192-C244 HydrophobicContact CB-CB 4.04Å; F192-C244 CarbonylContact O-C 3.57Å; F192-C244 VanDerWaalsContact O-CA 3.25Å; F192-C244 WeakPolarHBondContact O-CA 3.42Å; F192-F245 PolarHBondContact O-N 3.1Å |
| 193 | L | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 103.6 | 175.2 | -177.7 | 65.8 | 0 | 0 | 0 | 109 | L60 V152 Y153 I155 L191 R195 F245 M247 L278 | L60-L193 HydrophobicContact CD2-CD2 3.23Å; V152-L193 HydrophobicContact CG1-CB 3.68Å; V152-L193 HydrophobicContact CG1-CD2 4Å; V152-L193 HydrophobicContact CG1-CG 4.5Å; Y153-L193 PolarHBondContact O-N 3.19Å; I155-L193 PolarHBondContact N-O 3.26Å; L191-L193 HydrophobicContact CD2-CB 3.77Å; L191-L193 HydrophobicContact CD2-CD1 4.41Å; L191-L193 PolarHBondContact O-N 3.37Å; L193-R195 PolarHBondContact O-N 3.06Å; L193-F245 HydrophobicContact CD1-CB 4.02Å; L193-F245 HydrophobicContact CD1-CD1 4.18Å; L193-F245 HydrophobicContact CD1-CG 4.44Å; L193-M247 HydrophobicContact CD1-CG 3.57Å; L193-M247 HydrophobicContact CG-CG 4.46Å; L193-L278 HydrophobicContact CD1-CD1 4.07Å; L193-L278 HydrophobicContact CD1-CD2 3.73Å; L193-L278 HydrophobicContact CD2-CD2 4.24Å |
| 194 | V | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 107.5 | 178.4 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | G157 I159 W197 F245 L246 M247 | G157-V194 WeakPolarHBondContact O-CG1 3.27Å; I159-V194 HydrophobicContact CD1-CG2 4.13Å; I159-V194 HydrophobicContact CG1-CG2 3.81Å; V194-W197 HydrophobicContact CG1-CE3 4.13Å; V194-F245 PolarHBondContact N-O 3.15Å; V194-L246 HydrophobicContact CB-CD2 3.68Å; V194-L246 HydrophobicContact CG1-CD2 4.38Å; V194-L246 HydrophobicContact CG2-CD2 3.74Å; V194-M247 PolarHBondContact O-N 3.46Å |
| 195 | R | 97.1 | Very high | 96.2 | Very high | 11 Ų | 11 | 41 Ų | 41 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 149.9 | 174.7 | -52.1 | -57.3 | -64.2 | -79.7 | -4.7 | 110.1 | Q55 G56 N154 I155 G157 L193 W197 | Q55-R195 PolarHBondContact O-NH1 3.15Å; G56-R195 PolarHBondContact O-NH1 3.26Å; N154-R195 WeakPolarHBondContact OD1-CD 3.45Å; N154-R195 VanDerWaalsContact OD1-CG 3.25Å; N154-R195 WeakPolarHBondContact OD1-CG 3.4Å; N154-R195 PolarHBondContact OD1-NH1 2.79Å; N154-R195 VanDerWaalsContact OD1-NH1 3.15Å; I155-R195 WeakPolarHBondContact O-CB 3.42Å; I155-R195 WeakPolarHBondContact O-CG 3.49Å; I155-R195 PolarHBondContact O-N 3.39Å; G157-R195 PolarHBondContact N-O 2.81Å; L193-R195 PolarHBondContact O-N 3.06Å; R195-W197 PolarHBondContact O-N 3.46Å |
| 196 | D | 96.8 | Very high | 96.8 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 13% | 0.128 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 36.8 | 173.2 | -51.9 | -9.8 | 0 | 0 | 0 | 113 | H156 S198 M247 H249 P250 | H156-D196 IonicContact CE1-OD2 3.66Å; H156-D196 PolarHBondContact CE1-OD2 3.31Å; H156-D196 IonicContact ND1-OD2 3.28Å; H156-D196 PolarHBondContact ND1-OD2 2.99Å; D196-S198 PolarHBondContact O-N 2.99Å; D196-S198 PolarHBondContact O-OG 3.38Å; D196-S198 VanDerWaalsContact O-OG 3.12Å; D196-M247 PolarHBondContact N-O 2.91Å; D196-H249 HydrophobicContact CB-CB 4.31Å; D196-H249 VanDerWaalsContact CG-CD2 3.45Å; D196-H249 WeakPolarHBondContact OD1-CA 3.41Å; D196-H249 IonicContact OD1-CD2 2.7Å; D196-H249 IonicContact OD1-CG 3.03Å; D196-H249 IonicContact OD2-CD2 3.87Å; D196-H249 PolarHBondContact OD2-CD2 3.49Å; D196-P250 VanDerWaalsContact OD1-CD 3.3Å; D196-P250 WeakPolarHBondContact OD1-CD 3.47Å |
| 197 | W | 97.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 2% | 0.023 | 19% | 0.194 | C | C | . | . | trans | -58.9 | 124.9 | 175.1 | 178.3 | -115.2 | 0 | 0 | 0 | 109.7 | G157 V194 R195 F199 Y203 F205 L213 L246 M247 | G157-W197 VanDerWaalsContact O-CE3 3.31Å; V194-W197 HydrophobicContact CG1-CE3 4.13Å; R195-W197 PolarHBondContact O-N 3.46Å; W197-F199 HydrophobicContact CE3-CD2 4.24Å; W197-F199 HydrophobicContact CH2-CB 4.13Å; W197-F199 AromaticContact CH2-CD2 3.65Å; W197-F199 HydrophobicContact CH2-CD2 3.65Å; W197-F199 HydrophobicContact CH2-CG 4.38Å; W197-F199 HydrophobicContact CZ2-CB 3.59Å; W197-F199 AromaticContact CZ2-CD2 3.99Å; W197-F199 HydrophobicContact CZ2-CD2 3.99Å; W197-F199 HydrophobicContact CZ2-CG 4.3Å; W197-F199 AromaticContact CZ3-CD2 3.79Å; W197-F199 HydrophobicContact CZ3-CD2 3.79Å; W197-F199 HydrophobicContact CZ3-CE2 4.49Å; W197-F199 PolarHBondContact NE1-O 3.38Å; W197-F199 VanDerWaalsContact NE1-O 3.14Å; W197-Y203 HydrophobicContact CH2-CD2 4.26Å; W197-Y203 AromaticContact CZ2-CD2 3.88Å; W197-Y203 HydrophobicContact CZ2-CD2 3.88Å; W197-Y203 HydrophobicContact CZ2-CG 4.4Å; W197-Y203 PolarHBondContact NE1-O 3.41Å; W197-F205 HydrophobicContact CB-CD1 4.39Å; W197-F205 HydrophobicContact CB-CE1 4.06Å; W197-F205 AromaticContact CD1-CD1 3.79Å; W197-F205 AromaticContact CD1-CE1 3.65Å; W197-F205 HydrophobicContact CG-CE1 4.25Å; W197-F205 WeakPolarHBondContact O-CE1 3.43Å; W197-L213 HydrophobicContact CE3-CD2 4.43Å; W197-L213 HydrophobicContact CH2-CD1 4.13Å; W197-L213 HydrophobicContact CH2-CD2 3.87Å; W197-L213 HydrophobicContact CZ2-CD2 4.48Å; W197-L213 HydrophobicContact CZ3-CD2 3.84Å; W197-L246 HydrophobicContact CB-CB 4.09Å; W197-L246 HydrophobicContact CD2-CD1 4.06Å; W197-L246 HydrophobicContact CD2-CD2 4.45Å; W197-L246 HydrophobicContact CG-CB 3.96Å; W197-L246 HydrophobicContact CG-CD1 4.13Å; W197-L246 HydrophobicContact CG-CG 4.41Å; W197-L246 HydrophobicContact CZ2-CD1 4.29Å; W197-M247 WeakPolarHBondContact CB-O 3.08Å; W197-M247 PolarHBondContact N-O 2.94Å | ||
| 198 | S | 96.7 | Very high | 97.4 | Very high | 79 Ų | 79 | 44.6 Ų | 44.6 | 55% | 0.552 | 22% | 0.221 | S | C | * | . | trans | -107.4 | -2.3 | -169.6 | -63 | 0 | 0 | 0 | 0 | 113.7 | D196 P200 | D196-S198 PolarHBondContact O-N 2.99Å; D196-S198 PolarHBondContact O-OG 3.38Å; D196-S198 VanDerWaalsContact O-OG 3.12Å; S198-P200 WeakPolarHBondContact O-CD 3.45Å | ||
| 199 | F | 97.3 | Very high | 97.5 | Very high | 73 Ų | 73 | 43.4 Ų | 43.4 | 32% | 0.32 | 22% | 0.216 | S | C | . | . | trans | -122.8 | 53.4 | -172.8 | -42.4 | -66.2 | 0 | 0 | 0 | 112.8 | W197 Y201 E202 Y203 | W197-F199 HydrophobicContact CE3-CD2 4.24Å; W197-F199 HydrophobicContact CH2-CB 4.13Å; W197-F199 AromaticContact CH2-CD2 3.65Å; W197-F199 HydrophobicContact CH2-CD2 3.65Å; W197-F199 HydrophobicContact CH2-CG 4.38Å; W197-F199 HydrophobicContact CZ2-CB 3.59Å; W197-F199 AromaticContact CZ2-CD2 3.99Å; W197-F199 HydrophobicContact CZ2-CD2 3.99Å; W197-F199 HydrophobicContact CZ2-CG 4.3Å; W197-F199 AromaticContact CZ3-CD2 3.79Å; W197-F199 HydrophobicContact CZ3-CD2 3.79Å; W197-F199 HydrophobicContact CZ3-CE2 4.49Å; W197-F199 PolarHBondContact NE1-O 3.38Å; W197-F199 VanDerWaalsContact NE1-O 3.14Å; F199-Y201 HydrophobicContact CB-CE1 4.37Å; F199-Y201 HydrophobicContact CB-CE2 4.43Å; F199-Y201 HydrophobicContact CD1-CE1 4.19Å; F199-Y201 AromaticContact CD1-CZ 3.77Å; F199-Y201 WeakPolarHBondContact CD1-OH 3.49Å; F199-Y201 PolarHBondContact O-N 2.94Å; F199-Y201 VanDerWaalsContact O-N 3.13Å; F199-E202 HydrophobicContact CB-CB 4.39Å; F199-E202 PolarHBondContact O-N 2.73Å; F199-Y203 PolarHBondContact O-N 2.86Å; F199-Y203 VanDerWaalsContact O-N 3.13Å | ||
| 200 | P | 96.5 | Very high | 97.5 | Very high | 41 Ų | 41 | 43 Ų | 43 | 27% | 0.266 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.5 | 179.1 | 27.7 | -35.3 | 0 | 0 | 0 | 113 | S198 E202 Y203 F205 | S198-P200 WeakPolarHBondContact O-CD 3.45Å; P200-E202 VanDerWaalsContact C-N 3.28Å; P200-E202 PolarHBondContact O-N 2.97Å; P200-Y203 VanDerWaalsContact CA-O 3.31Å; P200-Y203 WeakPolarHBondContact CA-O 3.45Å; P200-Y203 CarbonylContact O-C 3.5Å; P200-F205 HydrophobicContact CB-CD1 4.46Å; P200-F205 HydrophobicContact CB-CD2 3.94Å; P200-F205 HydrophobicContact CB-CE1 4.1Å; P200-F205 HydrophobicContact CB-CE2 3.54Å; P200-F205 HydrophobicContact CB-CG 4.37Å; P200-F205 HydrophobicContact CB-CZ 3.62Å; P200-F205 HydrophobicContact CG-CE1 4.43Å; P200-F205 HydrophobicContact CG-CE2 3.82Å; P200-F205 HydrophobicContact CG-CZ 3.66Å |
| 201 | Y | 96.4 | Very high | 97.5 | Very high | 170 Ų | 170 | 45.1 Ų | 45.1 | 67% | 0.667 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -14.9 | 176 | 56.5 | -100 | 0 | 0 | 0 | 113.9 | F199 | F199-Y201 HydrophobicContact CB-CE1 4.37Å; F199-Y201 HydrophobicContact CB-CE2 4.43Å; F199-Y201 HydrophobicContact CD1-CE1 4.19Å; F199-Y201 AromaticContact CD1-CZ 3.77Å; F199-Y201 WeakPolarHBondContact CD1-OH 3.49Å; F199-Y201 PolarHBondContact O-N 2.94Å; F199-Y201 VanDerWaalsContact O-N 3.13Å |
| 202 | E | 97.3 | Very high | 97.5 | Very high | 120 Ų | 120 | 50.8 Ų | 50.8 | 56% | 0.561 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -46.1 | 172.2 | -77.9 | 179.4 | -155.2 | 0 | 0 | 111.5 | F199 P200 | F199-E202 HydrophobicContact CB-CB 4.39Å; F199-E202 PolarHBondContact O-N 2.73Å; P200-E202 VanDerWaalsContact C-N 3.28Å; P200-E202 PolarHBondContact O-N 2.97Å |
| 203 | Y | 97.8 | Very high | 97.5 | Very high | 40 Ų | 40 | 50.8 Ų | 50.8 | 16% | 0.157 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -136.1 | 114.6 | 176.8 | -62.1 | -79.2 | 0 | 0 | 0 | 108.5 | W197 F199 P200 Q212 L213 N216 | W197-Y203 HydrophobicContact CH2-CD2 4.26Å; W197-Y203 AromaticContact CZ2-CD2 3.88Å; W197-Y203 HydrophobicContact CZ2-CD2 3.88Å; W197-Y203 HydrophobicContact CZ2-CG 4.4Å; W197-Y203 PolarHBondContact NE1-O 3.41Å; F199-Y203 PolarHBondContact O-N 2.86Å; F199-Y203 VanDerWaalsContact O-N 3.13Å; P200-Y203 VanDerWaalsContact CA-O 3.31Å; P200-Y203 WeakPolarHBondContact CA-O 3.45Å; P200-Y203 CarbonylContact O-C 3.5Å; Y203-Q212 HydrophobicContact CD1-CB 3.8Å; Y203-Q212 HydrophobicContact CE1-CB 3.85Å; Y203-L213 HydrophobicContact CD1-CB 4.19Å; Y203-L213 HydrophobicContact CD2-CB 4.25Å; Y203-L213 HydrophobicContact CD2-CD1 3.87Å; Y203-L213 HydrophobicContact CE1-CB 4.42Å; Y203-L213 HydrophobicContact CE2-CB 4.48Å; Y203-L213 HydrophobicContact CE2-CD1 3.7Å; Y203-L213 HydrophobicContact CG-CB 4.09Å; Y203-N216 PolarHBondContact OH-ND2 3.45Å; Y203-N216 VanDerWaalsContact OH-ND2 3.14Å |
| 204 | D | 97.8 | Very high | 97.5 | Very high | 113 Ų | 113 | 50.9 Ų | 50.9 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | trans | -55.5 | 153 | -177.6 | -63.8 | -37.2 | 0 | 0 | 0 | 112.2 | G209 | D204-G209 WeakPolarHBondContact O-CA 3.41Š| ||
| 205 | F | 98.1 | Very high | 97.4 | Very high | 55 Ų | 55 | 55.5 Ų | 55.5 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -58.8 | 157.2 | 170 | -61 | -58.1 | 0 | 0 | 0 | 111.8 | W197 P200 P248 N274 | W197-F205 HydrophobicContact CB-CD1 4.39Å; W197-F205 HydrophobicContact CB-CE1 4.06Å; W197-F205 AromaticContact CD1-CD1 3.79Å; W197-F205 AromaticContact CD1-CE1 3.65Å; W197-F205 HydrophobicContact CG-CE1 4.25Å; W197-F205 WeakPolarHBondContact O-CE1 3.43Å; P200-F205 HydrophobicContact CB-CD1 4.46Å; P200-F205 HydrophobicContact CB-CD2 3.94Å; P200-F205 HydrophobicContact CB-CE1 4.1Å; P200-F205 HydrophobicContact CB-CE2 3.54Å; P200-F205 HydrophobicContact CB-CG 4.37Å; P200-F205 HydrophobicContact CB-CZ 3.62Å; P200-F205 HydrophobicContact CG-CE1 4.43Å; P200-F205 HydrophobicContact CG-CE2 3.82Å; P200-F205 HydrophobicContact CG-CZ 3.66Å; F205-P248 HydrophobicContact CD1-CB 4.16Å; F205-P248 HydrophobicContact CD2-CB 4.47Å; F205-P248 HydrophobicContact CE1-CB 3.68Å; F205-P248 HydrophobicContact CE2-CB 4.01Å; F205-P248 HydrophobicContact CZ-CB 3.61Å; F205-N274 VanDerWaalsContact CB-OD1 3.25Å; F205-N274 WeakPolarHBondContact CB-OD1 3.33Å |
| 206 | G | 97.7 | Very high | 97.3 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | 93.3 | -167.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G210 L246 | G206-G210 PolarHBondContact O-N 2.93Å; G206-L246 PolarHBondContact N-O 2.7Å; G206-L246 PolarHBondContact O-N 3.15Å; G206-L246 VanDerWaalsContact O-N 3.11Å |
| 207 | N | 96.9 | Very high | 97.2 | Very high | 55 Ų | 55 | 61 Ų | 61 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -74.4 | -31.7 | -174.8 | 67 | -55.3 | 0 | 0 | 0 | 113.1 | N211 C244 F245 | N207-N211 WeakPolarHBondContact O-CB 3.33Å; N207-N211 PolarHBondContact O-N 3.11Å; N207-N211 PolarHBondContact O-ND2 3.46Å; N207-C244 WeakPolarHBondContact CA-O 3.39Å; N207-F245 HydrophobicContact CB-CD2 3.97Å; N207-F245 HydrophobicContact CB-CE2 4.36Å |
| 208 | N | 97.2 | Very high | 97.1 | Very high | 111 Ų | 111 | 60.7 Ų | 60.7 | 59% | 0.594 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68.1 | -53.9 | -176.8 | -72.2 | -20.6 | 0 | 0 | 0 | 111.8 | G210 Q212 | N208-G210 VanDerWaalsContact C-N 3.3Å; N208-G210 PolarHBondContact O-N 2.76Å; N208-Q212 WeakPolarHBondContact O-CG 3.27Å; N208-Q212 PolarHBondContact O-N 2.85Å |
| 209 | G | 97.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.9 | -35.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | D204 Q212 L213 | D204-G209 WeakPolarHBondContact O-CA 3.41Å; G209-Q212 PolarHBondContact O-N 3.25Å; G209-L213 WeakPolarHBondContact O-CB 3.08Å; G209-L213 PolarHBondContact O-N 3.29Å |
| 210 | G | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.1 | -49.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G206 N208 Q212 L213 L214 C244 L246 | G206-G210 PolarHBondContact O-N 2.93Å; N208-G210 VanDerWaalsContact C-N 3.3Å; N208-G210 PolarHBondContact O-N 2.76Å; G210-Q212 PolarHBondContact O-N 2.78Å; G210-L213 WeakPolarHBondContact O-CB 3.44Å; G210-L213 PolarHBondContact O-N 3.34Å; G210-L214 WeakPolarHBondContact O-CB 3.39Å; G210-L214 PolarHBondContact O-N 2.75Å; G210-C244 VanDerWaalsContact C-CB 3.4Å; G210-C244 VanDerWaalsContact C-SG 3.51Å; G210-C244 WeakPolarHBondContact CA-O 3.29Å; G210-C244 VanDerWaalsContact CA-SG 3.52Å; G210-C244 WeakPolarHBondContact O-CB 3.27Å; G210-C244 PolarHBondContact O-SG 2.95Å; G210-L246 VanDerWaalsContact CA-CG 3.46Å |
| 211 | N | 97.9 | Very high | 96.4 | Very high | 45 Ų | 45 | 62.8 Ų | 62.8 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.6 | -38 | 179 | -76.9 | -46.9 | 0 | 0 | 0 | 112.5 | N207 L213 L214 D215 D243 C244 | N207-N211 WeakPolarHBondContact O-CB 3.33Å; N207-N211 PolarHBondContact O-N 3.11Å; N207-N211 PolarHBondContact O-ND2 3.46Å; N211-L213 PolarHBondContact O-N 3.27Å; N211-L214 PolarHBondContact O-N 2.99Å; N211-D215 WeakPolarHBondContact O-CB 3.17Å; N211-D215 PolarHBondContact O-N 3.46Å; N211-D243 PolarHBondContact ND2-OD1 3.39Å; N211-D243 WeakPolarHBondContact OD1-CA 3.27Å; N211-D243 PolarHBondContact OD1-OD1 3.39Å; N211-D243 VanDerWaalsContact OD1-OD1 3.07Å; N211-C244 PolarHBondContact OD1-N 2.98Å; N211-C244 VanDerWaalsContact OD1-N 3.11Å |
| 212 | Q | 98.1 | Very high | 95.9 | Very high | 118 Ų | 118 | 63.3 Ų | 63.3 | 55% | 0.551 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 173.3 | -68.2 | 176.8 | 28.5 | 0 | 0 | 112.2 | Y203 N208 G209 G210 N216 | Y203-Q212 HydrophobicContact CD1-CB 3.8Å; Y203-Q212 HydrophobicContact CE1-CB 3.85Å; N208-Q212 WeakPolarHBondContact O-CG 3.27Å; N208-Q212 PolarHBondContact O-N 2.85Å; G209-Q212 PolarHBondContact O-N 3.25Å; G210-Q212 PolarHBondContact O-N 2.78Å; Q212-N216 WeakPolarHBondContact O-CB 3.45Å; Q212-N216 PolarHBondContact O-N 3.27Å; Q212-N216 VanDerWaalsContact O-N 3.16Å |
| 213 | L | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 174.6 | 177.1 | 68.1 | 0 | 0 | 0 | 110.6 | I159 W197 Y203 G209 G210 N211 N216 R217 L246 | I159-L213 HydrophobicContact CD1-CD2 4.49Å; W197-L213 HydrophobicContact CE3-CD2 4.43Å; W197-L213 HydrophobicContact CH2-CD1 4.13Å; W197-L213 HydrophobicContact CH2-CD2 3.87Å; W197-L213 HydrophobicContact CZ2-CD2 4.48Å; W197-L213 HydrophobicContact CZ3-CD2 3.84Å; Y203-L213 HydrophobicContact CD1-CB 4.19Å; Y203-L213 HydrophobicContact CD2-CB 4.25Å; Y203-L213 HydrophobicContact CD2-CD1 3.87Å; Y203-L213 HydrophobicContact CE1-CB 4.42Å; Y203-L213 HydrophobicContact CE2-CB 4.48Å; Y203-L213 HydrophobicContact CE2-CD1 3.7Å; Y203-L213 HydrophobicContact CG-CB 4.09Å; G209-L213 WeakPolarHBondContact O-CB 3.08Å; G209-L213 PolarHBondContact O-N 3.29Å; G210-L213 WeakPolarHBondContact O-CB 3.44Å; G210-L213 PolarHBondContact O-N 3.34Å; N211-L213 PolarHBondContact O-N 3.27Å; L213-N216 WeakPolarHBondContact O-CB 3.38Å; L213-N216 PolarHBondContact O-N 3.05Å; L213-R217 HydrophobicContact CD1-CG 4.19Å; L213-R217 HydrophobicContact CG-CG 4.34Å; L213-R217 VanDerWaalsContact O-CG 3.25Å; L213-R217 WeakPolarHBondContact O-CG 3.37Å; L213-R217 PolarHBondContact O-N 3.13Å; L213-L246 HydrophobicContact CD2-CD1 4.36Å; L213-L246 HydrophobicContact CD2-CD2 3.75Å |
| 214 | L | 97.5 | Very high | 94.7 | Very high | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.8 | -44.7 | -177.6 | -176.2 | 67.1 | 0 | 0 | 0 | 111.7 | I159 F192 G210 N211 N216 R217 L218 L242 C244 | I159-L214 HydrophobicContact CD1-CD1 3.91Å; F192-L214 HydrophobicContact CD1-CD1 4.28Å; F192-L214 HydrophobicContact CD2-CD1 3.66Å; F192-L214 HydrophobicContact CD2-CD2 3.9Å; F192-L214 HydrophobicContact CD2-CG 4.47Å; F192-L214 HydrophobicContact CE1-CD1 4.43Å; F192-L214 HydrophobicContact CE2-CD1 3.83Å; F192-L214 HydrophobicContact CE2-CD2 4.34Å; F192-L214 HydrophobicContact CG-CD1 3.91Å; F192-L214 HydrophobicContact CZ-CD1 4.22Å; G210-L214 WeakPolarHBondContact O-CB 3.39Å; G210-L214 PolarHBondContact O-N 2.75Å; N211-L214 PolarHBondContact O-N 2.99Å; L214-N216 VanDerWaalsContact C-N 3.27Å; L214-N216 PolarHBondContact O-N 3.42Å; L214-R217 PolarHBondContact O-N 3.37Å; L214-R217 VanDerWaalsContact O-N 3.14Å; L214-L218 HydrophobicContact CD1-CD1 3.66Å; L214-L218 HydrophobicContact CD1-CG 3.88Å; L214-L218 HydrophobicContact CD2-CD1 4.38Å; L214-L218 HydrophobicContact CG-CD1 3.9Å; L214-L218 HydrophobicContact CG-CG 4.31Å; L214-L218 WeakPolarHBondContact O-CB 3.26Å; L214-L218 PolarHBondContact O-N 3.16Å; L214-L242 HydrophobicContact CD2-CB 4.13Å; L214-C244 HydrophobicContact CB-CB 3.64Å; L214-C244 HydrophobicContact CD2-CB 3.86Å; L214-C244 HydrophobicContact CG-CB 4.24Å |
| 215 | D | 96.4 | Very high | 94.2 | Very high | 96 Ų | 96 | 68.8 Ų | 68.8 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 177.2 | -85.7 | -26.6 | 0 | 0 | 0 | 111.7 | N211 K219 R236 | N211-D215 WeakPolarHBondContact O-CB 3.17Å; N211-D215 PolarHBondContact O-N 3.46Å; D215-K219 WeakPolarHBondContact O-CB 3.47Å; D215-K219 PolarHBondContact O-N 3.48Å; D215-K219 VanDerWaalsContact O-N 3.08Å; D215-R236 IonicContact OD1-NH2 3.43Å |
| 216 | N | 95.2 | Very high | 93.7 | Very high | 77 Ų | 77 | 71 Ų | 71 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 174.4 | -169.9 | 28.7 | 0 | 0 | 0 | 111.7 | Y203 Q212 L213 L214 K219 | Y203-N216 PolarHBondContact OH-ND2 3.45Å; Y203-N216 VanDerWaalsContact OH-ND2 3.14Å; Q212-N216 WeakPolarHBondContact O-CB 3.45Å; Q212-N216 PolarHBondContact O-N 3.27Å; Q212-N216 VanDerWaalsContact O-N 3.16Å; L213-N216 WeakPolarHBondContact O-CB 3.38Å; L213-N216 PolarHBondContact O-N 3.05Å; L214-N216 VanDerWaalsContact C-N 3.27Å; L214-N216 PolarHBondContact O-N 3.42Å; N216-K219 WeakPolarHBondContact O-CB 3.06Å; N216-K219 PolarHBondContact O-N 2.79Å |
| 217 | R | 94.8 | Very high | 93.1 | Very high | 73 Ų | 73 | 75.3 Ų | 75.3 | 28% | 0.275 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.7 | -35.1 | -179 | -67.4 | -69.7 | -179.5 | -98.4 | -4.6 | 113.2 | I159 L213 L214 R232 | I159-R217 HydrophobicContact CB-CG 4.42Å; L213-R217 HydrophobicContact CD1-CG 4.19Å; L213-R217 HydrophobicContact CG-CG 4.34Å; L213-R217 VanDerWaalsContact O-CG 3.25Å; L213-R217 WeakPolarHBondContact O-CG 3.37Å; L213-R217 PolarHBondContact O-N 3.13Å; L214-R217 PolarHBondContact O-N 3.37Å; L214-R217 VanDerWaalsContact O-N 3.14Å; R217-R232 PolarHBondContact O-NE 3.44Å; R217-R232 PolarHBondContact O-NH2 3.19Å; R217-R232 VanDerWaalsContact O-NH2 3.17Å |
| 218 | L | 95.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 8.8 | 178.6 | -64.2 | -175.4 | 0 | 0 | 0 | 113.8 | L164 L214 I220 R232 I235 L242 | L164-L218 HydrophobicContact CD1-CD2 4.07Å; L164-L218 HydrophobicContact CD2-CD2 4.06Å; L214-L218 HydrophobicContact CD1-CD1 3.66Å; L214-L218 HydrophobicContact CD1-CG 3.88Å; L214-L218 HydrophobicContact CD2-CD1 4.38Å; L214-L218 HydrophobicContact CG-CD1 3.9Å; L214-L218 HydrophobicContact CG-CG 4.31Å; L214-L218 WeakPolarHBondContact O-CB 3.26Å; L214-L218 PolarHBondContact O-N 3.16Å; L218-I220 PolarHBondContact O-N 3.08Å; L218-R232 HydrophobicContact CD2-CG 4.13Å; L218-I235 HydrophobicContact CD1-CG2 4.47Å; L218-I235 HydrophobicContact CD2-CD1 4.37Å; L218-L242 HydrophobicContact CD1-CD1 3.69Å |
| 219 | K | 93.9 | Very high | 92.4 | Very high | 126 Ų | 126 | 71.5 Ų | 71.5 | 55% | 0.548 | 35% | 0.347 | S | S | . | . | trans | -65.6 | 125.3 | 176.2 | -167.9 | 173.9 | -177.2 | 175.4 | 0 | 110.3 | D215 N216 V221 | D215-K219 WeakPolarHBondContact O-CB 3.47Å; D215-K219 PolarHBondContact O-N 3.48Å; D215-K219 VanDerWaalsContact O-N 3.08Å; N216-K219 WeakPolarHBondContact O-CB 3.06Å; N216-K219 PolarHBondContact O-N 2.79Å; K219-V221 HydrophobicContact CD-CG2 4.2Å; K219-V221 HydrophobicContact CG-CG2 4.02Å; K219-V221 PolarHBondContact O-N 2.89Å | ||
| 220 | I | 92.6 | Very high | 92.2 | Very high | 66 Ų | 66 | 73.6 Ų | 73.6 | 34% | 0.338 | 37% | 0.365 | S | S | . | . | trans | -89.9 | 107.1 | 175 | -60.3 | 164 | 0 | 0 | 0 | 107.8 | L218 Q229 R232 R233 | L218-I220 PolarHBondContact O-N 3.08Å; I220-Q229 HydrophobicContact CG2-CB 4.17Å; I220-Q229 HydrophobicContact CG2-CG 4.1Å; I220-R232 HydrophobicContact CD1-CB 4.38Å; I220-R232 HydrophobicContact CG1-CB 3.82Å; I220-R233 HydrophobicContact CD1-CG 3.54Å | ||
| 221 | V | 90 | Very high | 91.9 | Very high | 44 Ų | 44 | 73.9 Ų | 73.9 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | trans | -106.3 | 132 | 175.3 | -171.6 | 0 | 0 | 0 | 0 | 108.6 | K219 Q223 H224 Q229 | K219-V221 HydrophobicContact CD-CG2 4.2Å; K219-V221 HydrophobicContact CG-CG2 4.02Å; K219-V221 PolarHBondContact O-N 2.89Å; V221-Q223 HydrophobicContact CG1-CB 4.24Å; V221-Q223 PolarHBondContact O-N 3.27Å; V221-Q223 VanDerWaalsContact O-N 3.13Å; V221-H224 VanDerWaalsContact CB-CD2 3.46Å; V221-H224 WeakPolarHBondContact CB-CD2 3.08Å; V221-H224 WeakPolarHBondContact O-CB 3.4Å; V221-H224 PolarHBondContact O-N 3.28Å; V221-Q229 PolarHBondContact O-NE2 3.29Å | ||
| 222 | Q | 85.8 | Confident | 91.8 | Very high | 182 Ų | 182 | 72.6 Ų | 72.6 | 85% | 0.85 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -26.6 | -177.2 | -68.9 | -177.4 | -6.6 | 0 | 0 | 113.6 | H224 Q229 | Q222-H224 VanDerWaalsContact C-N 3.32Å; Q222-Q229 PolarHBondContact O-NE2 3.21Å |
| 223 | Q | 85.8 | Confident | 91.5 | Very high | 183 Ų | 183 | 73 Ų | 73 | 86% | 0.855 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -17.6 | 178.1 | -63.7 | 175.6 | -4.5 | 0 | 0 | 113.3 | V221 | V221-Q223 HydrophobicContact CG1-CB 4.24Å; V221-Q223 PolarHBondContact O-N 3.27Å; V221-Q223 VanDerWaalsContact O-N 3.13Å |
| 224 | H | 84.2 | Confident | 91.2 | Very high | 87 Ų | 87 | 73.8 Ų | 73.8 | 40% | 0.403 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -72.5 | 154.7 | 176.7 | -69.5 | -38.9 | 0 | 0 | 0 | 111.3 | V221 Q222 H228 Q229 | V221-H224 VanDerWaalsContact CB-CD2 3.46Å; V221-H224 WeakPolarHBondContact CB-CD2 3.08Å; V221-H224 WeakPolarHBondContact O-CB 3.4Å; V221-H224 PolarHBondContact O-N 3.28Å; Q222-H224 VanDerWaalsContact C-N 3.32Å; H224-H228 HydrophobicContact CB-CB 4.44Å; H224-Q229 HydrophobicContact CB-CG 4.4Å; H224-Q229 PolarHBondContact O-NE2 3.41Å |
| 225 | H | 86.7 | Confident | 91.1 | Very high | 118 Ų | 118 | 73.7 Ų | 73.7 | 55% | 0.546 | 36% | 0.357 | S | S | . | . | trans | -55.4 | 145.7 | 176.2 | -165.4 | -104.3 | 0 | 0 | 0 | 111.3 | E227 H228 Q229 | H225-E227 WeakPolarHBondContact ND1-CB 3.46Å; H225-E227 PolarHBondContact ND1-N 2.87Å; H225-E227 PolarHBondContact O-N 3.38Å; H225-H228 PolarHBondContact O-N 2.77Å; H225-H228 VanDerWaalsContact O-N 3.11Å; H225-Q229 PolarHBondContact O-N 3.41Å | ||
| 226 | T | 88.7 | Confident | 90.9 | Very high | 100 Ų | 100 | 74.5 Ų | 74.5 | 61% | 0.613 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -56.8 | -36.2 | -176.3 | 48.3 | 0 | 0 | 0 | 0 | 112.4 | Q229 A230 | T226-Q229 PolarHBondContact O-N 3.28Å; T226-A230 WeakPolarHBondContact O-CB 3.33Å; T226-A230 PolarHBondContact O-N 3.18Å |
| 227 | E | 85.6 | Confident | 90.7 | Very high | 95 Ų | 95 | 73.4 Ų | 73.4 | 44% | 0.444 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.7 | -51.3 | 175.3 | -172 | -176.5 | 166.2 | 0 | 0 | 112.2 | Q165 H225 Q229 A230 V231 | Q165-E227 PolarHBondContact NE2-OE1 3.31Å; H225-E227 WeakPolarHBondContact ND1-CB 3.46Å; H225-E227 PolarHBondContact ND1-N 2.87Å; H225-E227 PolarHBondContact O-N 3.38Å; E227-Q229 PolarHBondContact O-N 2.7Å; E227-A230 WeakPolarHBondContact O-CB 3.31Å; E227-A230 PolarHBondContact O-N 2.85Å; E227-V231 WeakPolarHBondContact O-CG2 3.44Å; E227-V231 PolarHBondContact O-N 3.47Å |
| 228 | H | 88.7 | Confident | 90.6 | Very high | 64 Ų | 64 | 69.9 Ų | 69.9 | 30% | 0.296 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.2 | -37 | 178.9 | -69.6 | -166.2 | 0 | 0 | 0 | 111.7 | E161 H224 H225 R232 | E161-H228 IonicContact OE1-CD2 3.59Å; E161-H228 IonicContact OE1-CG 2.84Å; H224-H228 HydrophobicContact CB-CB 4.44Å; H225-H228 PolarHBondContact O-N 2.77Å; H225-H228 VanDerWaalsContact O-N 3.11Å; H228-R232 WeakPolarHBondContact O-CD 3.19Å; H228-R232 WeakPolarHBondContact O-CG 3.35Å; H228-R232 PolarHBondContact O-N 3.01Å; H228-R232 PolarHBondContact O-NH1 3.18Å |
| 229 | Q | 90.9 | Very high | 90.6 | Very high | 22 Ų | 22 | 70.2 Ų | 70.2 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.6 | -40.2 | 175.5 | -57.5 | -179.9 | 26 | 0 | 0 | 111.4 | I220 V221 Q222 H224 H225 T226 E227 R232 R233 | I220-Q229 HydrophobicContact CG2-CB 4.17Å; I220-Q229 HydrophobicContact CG2-CG 4.1Å; V221-Q229 PolarHBondContact O-NE2 3.29Å; Q222-Q229 PolarHBondContact O-NE2 3.21Å; H224-Q229 HydrophobicContact CB-CG 4.4Å; H224-Q229 PolarHBondContact O-NE2 3.41Å; H225-Q229 PolarHBondContact O-N 3.41Å; T226-Q229 PolarHBondContact O-N 3.28Å; E227-Q229 PolarHBondContact O-N 2.7Å; Q229-R232 PolarHBondContact O-N 2.95Å; Q229-R233 VanDerWaalsContact CB-NH1 3.31Å; Q229-R233 WeakPolarHBondContact O-CB 3.36Å; Q229-R233 VanDerWaalsContact O-CG 3.3Å; Q229-R233 WeakPolarHBondContact O-CG 3.15Å; Q229-R233 PolarHBondContact O-N 2.65Å |
| 230 | A | 91.6 | Very high | 90.6 | Very high | 46 Ų | 46 | 67.9 Ų | 67.9 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.5 | -47 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T226 E227 R232 R233 H234 | T226-A230 WeakPolarHBondContact O-CB 3.33Å; T226-A230 PolarHBondContact O-N 3.18Å; E227-A230 WeakPolarHBondContact O-CB 3.31Å; E227-A230 PolarHBondContact O-N 2.85Å; A230-R232 PolarHBondContact O-N 3.11Å; A230-R233 PolarHBondContact O-N 2.62Å; A230-H234 WeakPolarHBondContact O-CB 3.25Å; A230-H234 PolarHBondContact O-N 3.13Å |
| 231 | V | 92.8 | Very high | 90.8 | Very high | 5 Ų | 5 | 69.3 Ų | 69.3 | 3% | 0.03 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.1 | -50.4 | 175.9 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | L164 Q165 H168 E227 R233 H234 I235 | L164-V231 HydrophobicContact CB-CG1 3.82Å; Q165-V231 HydrophobicContact CG-CG2 4.42Å; H168-V231 HydrophobicContact CB-CG1 4.15Å; E227-V231 WeakPolarHBondContact O-CG2 3.44Å; E227-V231 PolarHBondContact O-N 3.47Å; V231-R233 PolarHBondContact O-N 3.33Å; V231-H234 PolarHBondContact O-N 2.9Å; V231-I235 HydrophobicContact CG1-CD1 3.91Å; V231-I235 WeakPolarHBondContact O-CG1 3.49Å; V231-I235 PolarHBondContact O-N 2.86Å |
| 232 | R | 94.7 | Very high | 91.1 | Very high | 19 Ų | 19 | 69.1 Ų | 69.1 | 7% | 0.072 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.6 | -40.5 | -178.4 | -70.4 | 165.5 | 177.2 | 66.5 | 5.5 | 112.7 | E161 R217 L218 I220 H228 Q229 A230 R236 | E161-R232 IonicContact OE1-CZ 3.87Å; E161-R232 IonicContact OE1-NH1 3.72Å; E161-R232 PolarHBondContact OE1-NH1 2.81Å; E161-R232 IonicContact OE1-NH2 3.97Å; E161-R232 IonicContact OE2-CZ 3.9Å; E161-R232 IonicContact OE2-NH1 3.69Å; E161-R232 PolarHBondContact OE2-NH1 3.25Å; E161-R232 IonicContact OE2-NH2 3.93Å; E161-R232 PolarHBondContact OE2-NH2 3.48Å; R217-R232 PolarHBondContact O-NE 3.44Å; R217-R232 PolarHBondContact O-NH2 3.19Å; R217-R232 VanDerWaalsContact O-NH2 3.17Å; L218-R232 HydrophobicContact CD2-CG 4.13Å; I220-R232 HydrophobicContact CD1-CB 4.38Å; I220-R232 HydrophobicContact CG1-CB 3.82Å; H228-R232 WeakPolarHBondContact O-CD 3.19Å; H228-R232 WeakPolarHBondContact O-CG 3.35Å; H228-R232 PolarHBondContact O-N 3.01Å; H228-R232 PolarHBondContact O-NH1 3.18Å; Q229-R232 PolarHBondContact O-N 2.95Å; A230-R232 PolarHBondContact O-N 3.11Å; R232-R236 WeakPolarHBondContact O-CG 3.36Å; R232-R236 PolarHBondContact O-N 2.83Å; R232-R236 VanDerWaalsContact O-N 3.15Å |
| 233 | R | 93.2 | Very high | 91.6 | Very high | 126 Ų | 126 | 60.7 Ų | 60.7 | 48% | 0.475 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 174.4 | -75.3 | -177.3 | -165.9 | 107.5 | 3.8 | 111.1 | I220 Q229 A230 V231 R236 S237 | I220-R233 HydrophobicContact CD1-CG 3.54Å; Q229-R233 VanDerWaalsContact CB-NH1 3.31Å; Q229-R233 WeakPolarHBondContact O-CB 3.36Å; Q229-R233 VanDerWaalsContact O-CG 3.3Å; Q229-R233 WeakPolarHBondContact O-CG 3.15Å; Q229-R233 PolarHBondContact O-N 2.65Å; A230-R233 PolarHBondContact O-N 2.62Å; V231-R233 PolarHBondContact O-N 3.33Å; R233-R236 PolarHBondContact O-N 2.88Å; R233-S237 WeakPolarHBondContact O-CB 3.26Å; R233-S237 PolarHBondContact O-N 3.25Å; R233-S237 PolarHBondContact O-OG 2.9Å |
| 234 | H | 92.2 | Very high | 92.2 | Very high | 17 Ų | 17 | 52 Ų | 52 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.8 | -51.4 | 180 | 174.7 | 85.7 | 0 | 0 | 0 | 111.3 | H168 T171 E172 A230 V231 R236 S237 C238 | H168-H234 AromaticContact CD2-CD2 3.07Å; H168-H234 PolarHBondContact CD2-CD2 3.38Å; H168-H234 AromaticContact CD2-CE1 3.83Å; H168-H234 AromaticContact CD2-CG 3.23Å; H168-H234 AromaticContact CD2-ND1 3.7Å; H168-H234 AromaticContact CD2-NE2 3.49Å; H168-H234 PolarHBondContact CD2-NE2 2.84Å; H168-H234 AromaticContact CG-CD2 3.76Å; H168-H234 AromaticContact NE2-CD2 3.85Å; H168-H234 AromaticContact NE2-CG 3.49Å; H168-H234 AromaticContact NE2-ND1 3.78Å; T171-H234 PolarHBondContact OG1-CD2 3.2Å; T171-H234 PolarHBondContact OG1-NE2 3.12Å; E172-H234 IonicContact OE2-CE1 3.69Å; E172-H234 PolarHBondContact OE2-CE1 3.11Å; E172-H234 IonicContact OE2-ND1 4Å; E172-H234 PolarHBondContact OE2-ND1 2.85Å; A230-H234 WeakPolarHBondContact O-CB 3.25Å; A230-H234 PolarHBondContact O-N 3.13Å; V231-H234 PolarHBondContact O-N 2.9Å; H234-R236 VanDerWaalsContact C-N 3.35Å; H234-R236 PolarHBondContact O-N 2.94Å; H234-S237 PolarHBondContact O-N 3.37Å; H234-S237 PolarHBondContact O-OG 3.4Å; H234-C238 PolarHBondContact CE1-SG 3.07Å; H234-C238 PolarHBondContact NE2-SG 2.93Å; H234-C238 PolarHBondContact O-N 2.89Å; H234-C238 PolarHBondContact O-SG 2.81Å |
| 235 | I | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57 | -47.8 | 178.9 | -66.3 | 165.4 | 0 | 0 | 0 | 110.9 | L164 L167 L218 V231 S237 C238 L242 | L164-I235 HydrophobicContact CB-CD1 4.07Å; L164-I235 HydrophobicContact CD2-CD1 4Å; L167-I235 HydrophobicContact CD2-CD1 3.99Å; L167-I235 HydrophobicContact CD2-CG1 4.06Å; L167-I235 HydrophobicContact CD2-CG2 4.08Å; L167-I235 HydrophobicContact CG-CG1 4.4Å; L218-I235 HydrophobicContact CD1-CG2 4.47Å; L218-I235 HydrophobicContact CD2-CD1 4.37Å; V231-I235 HydrophobicContact CG1-CD1 3.91Å; V231-I235 WeakPolarHBondContact O-CG1 3.49Å; V231-I235 PolarHBondContact O-N 2.86Å; I235-S237 VanDerWaalsContact C-N 3.25Å; I235-S237 PolarHBondContact O-N 2.68Å; I235-C238 PolarHBondContact O-N 2.86Å; I235-C238 VanDerWaalsContact O-N 3.14Å; I235-L242 HydrophobicContact CG2-CD1 4.19Å; I235-L242 HydrophobicContact CG2-CD2 4.24Å |
| 236 | R | 93 | Very high | 93.5 | Very high | 113 Ų | 113 | 42.2 Ų | 42.2 | 43% | 0.426 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.7 | -29.7 | 177.6 | -75.4 | -176.9 | 174.3 | -90.9 | -2.4 | 113.3 | D215 R232 R233 H234 L242 | D215-R236 IonicContact OD1-NH2 3.43Å; R232-R236 WeakPolarHBondContact O-CG 3.36Å; R232-R236 PolarHBondContact O-N 2.83Å; R232-R236 VanDerWaalsContact O-N 3.15Å; R233-R236 PolarHBondContact O-N 2.88Å; H234-R236 VanDerWaalsContact C-N 3.35Å; H234-R236 PolarHBondContact O-N 2.94Å; R236-L242 HydrophobicContact CG-CD1 4.03Å |
| 237 | S | 91.7 | Very high | 94 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 38% | 0.378 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -80.6 | -19.3 | 176.9 | 72 | 0 | 0 | 0 | 0 | 113.8 | R233 H234 I235 | R233-S237 WeakPolarHBondContact O-CB 3.26Å; R233-S237 PolarHBondContact O-N 3.25Å; R233-S237 PolarHBondContact O-OG 2.9Å; H234-S237 PolarHBondContact O-N 3.37Å; H234-S237 PolarHBondContact O-OG 3.4Å; I235-S237 VanDerWaalsContact C-N 3.25Å; I235-S237 PolarHBondContact O-N 2.68Å |
| 238 | C | 92.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -84.7 | -31.3 | -175.7 | -75 | 0 | 0 | 0 | 0 | 113.6 | P186 F187 H234 I235 | P186-C238 VanDerWaalsContact CD-O 3.3Å; P186-C238 WeakPolarHBondContact CD-O 3.1Å; P186-C238 HydrophobicContact CG-CB 4.4Å; P186-C238 WeakPolarHBondContact CG-O 3.48Å; F187-C238 WeakPolarHBondContact CA-O 3.42Å; F187-C238 VanDerWaalsContact CB-O 3.32Å; F187-C238 WeakPolarHBondContact CB-O 3.41Å; F187-C238 HydrophobicContact CD2-CB 3.97Å; F187-C238 HydrophobicContact CE2-CB 4.27Å; F187-C238 PolarHBondContact N-O 2.9Å; H234-C238 PolarHBondContact CE1-SG 3.07Å; H234-C238 PolarHBondContact NE2-SG 2.93Å; H234-C238 PolarHBondContact O-N 2.89Å; H234-C238 PolarHBondContact O-SG 2.81Å; I235-C238 PolarHBondContact O-N 2.86Å; I235-C238 VanDerWaalsContact O-N 3.14Å |
| 239 | F | 94.7 | Very high | 94.9 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.8 | -173.1 | -62.2 | -83.7 | 0 | 0 | 0 | 111.6 | T145 T171 F187 L190 K241 L242 | T145-F239 HydrophobicContact CG2-CE1 3.8Å; T145-F239 HydrophobicContact CG2-CZ 3.94Å; T171-F239 HydrophobicContact CG2-CE2 3.65Å; T171-F239 HydrophobicContact CG2-CZ 3.59Å; F187-F239 HydrophobicContact CB-CD1 3.45Å; F187-F239 VanDerWaalsContact CB-CD1 3.45Å; F187-F239 HydrophobicContact CB-CE1 3.52Å; F187-F239 HydrophobicContact CB-CG 4.3Å; F187-F239 HydrophobicContact CB-CZ 4.41Å; F187-F239 HydrophobicContact CD2-CD1 4.25Å; F187-F239 AromaticContact CD2-CE1 3.76Å; F187-F239 HydrophobicContact CD2-CE1 3.76Å; F187-F239 HydrophobicContact CD2-CE2 4.33Å; F187-F239 AromaticContact CD2-CZ 3.81Å; F187-F239 HydrophobicContact CD2-CZ 3.81Å; F187-F239 HydrophobicContact CG-CD1 4.31Å; F187-F239 AromaticContact CG-CE1 3.98Å; F187-F239 HydrophobicContact CG-CE1 3.98Å; F187-F239 HydrophobicContact CG-CZ 4.47Å; F187-F239 WeakPolarHBondContact O-CA 3.37Å; L190-F239 HydrophobicContact CB-CB 4.37Å; L190-F239 HydrophobicContact CB-CD1 3.51Å; L190-F239 HydrophobicContact CB-CD2 4.09Å; L190-F239 HydrophobicContact CB-CE1 3.7Å; L190-F239 HydrophobicContact CB-CE2 4.26Å; L190-F239 HydrophobicContact CB-CG 3.72Å; L190-F239 HydrophobicContact CB-CZ 4.07Å; L190-F239 HydrophobicContact CD1-CE1 4.44Å; L190-F239 HydrophobicContact CD1-CZ 4.33Å; L190-F239 HydrophobicContact CD2-CD2 3.83Å; L190-F239 HydrophobicContact CD2-CE1 4.34Å; L190-F239 HydrophobicContact CD2-CE2 3.54Å; L190-F239 HydrophobicContact CD2-CG 4.34Å; L190-F239 HydrophobicContact CD2-CZ 3.83Å; L190-F239 HydrophobicContact CG-CE1 4.39Å; L190-F239 HydrophobicContact CG-CE2 4.42Å; L190-F239 HydrophobicContact CG-CZ 4.31Å; F239-K241 VanDerWaalsContact C-N 3.31Å; F239-L242 HydrophobicContact CB-CD2 3.72Å; F239-L242 HydrophobicContact CB-CG 4.41Å; F239-L242 HydrophobicContact CD2-CD2 3.97Å; F239-L242 HydrophobicContact CG-CD2 4.05Å |
| 240 | S | 93.8 | Very high | 95.2 | Very high | 78 Ų | 78 | 32.8 Ų | 32.8 | 55% | 0.545 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | -27.2 | 174.4 | 71 | 0 | 0 | 0 | 0 | 113.1 | F187 Q188 | F187-S240 PolarHBondContact O-N 3.41Å; Q188-S240 VanDerWaalsContact CA-OG 3.32Å; Q188-S240 WeakPolarHBondContact CA-OG 3.32Å; Q188-S240 PolarHBondContact O-N 2.86Å; Q188-S240 PolarHBondContact O-OG 2.93Å |
| 241 | K | 96.4 | Very high | 95.3 | Very high | 95 Ų | 95 | 31.3 Ų | 31.3 | 41% | 0.413 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 129.3 | 175.1 | -175 | -179.5 | 172.2 | -166.6 | 0 | 110.8 | Q188 H189 L190 F239 D243 | Q188-K241 PolarHBondContact O-N 3.17Å; H189-K241 WeakPolarHBondContact CA-O 3.25Å; H189-K241 HydrophobicContact CB-CB 4.43Å; L190-K241 PolarHBondContact N-O 3.24Å; F239-K241 VanDerWaalsContact C-N 3.31Å; K241-D243 IonicContact NZ-OD2 2.9Å |
| 242 | L | 97.2 | Very high | 95.4 | Very high | 40 Ų | 40 | 37.3 Ų | 37.3 | 21% | 0.209 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132.7 | 168.3 | -62.7 | 178.3 | 0 | 0 | 0 | 108.3 | L190 F192 L214 L218 I235 R236 F239 | L190-L242 HydrophobicContact CB-CD2 3.93Å; L190-L242 HydrophobicContact CD2-CD2 3.9Å; L190-L242 HydrophobicContact CG-CD2 4.34Å; L190-L242 WeakPolarHBondContact O-CA 3.38Å; F192-L242 HydrophobicContact CE2-CD2 4.45Å; L214-L242 HydrophobicContact CD2-CB 4.13Å; L218-L242 HydrophobicContact CD1-CD1 3.69Å; I235-L242 HydrophobicContact CG2-CD1 4.19Å; I235-L242 HydrophobicContact CG2-CD2 4.24Å; R236-L242 HydrophobicContact CG-CD1 4.03Å; F239-L242 HydrophobicContact CB-CD2 3.72Å; F239-L242 HydrophobicContact CB-CG 4.41Å; F239-L242 HydrophobicContact CD2-CD2 3.97Å; F239-L242 HydrophobicContact CG-CD2 4.05Å |
| 243 | D | 96.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 160.8 | 179.1 | -157.6 | -11.9 | 0 | 0 | 0 | 109.2 | H189 L190 L191 F192 N211 K241 H281 | H189-D243 WeakPolarHBondContact NE2-CB 3.38Å; H189-D243 IonicContact NE2-OD2 3.35Å; L190-D243 PolarHBondContact O-N 3.1Å; L191-D243 CarbonylContact C-O 3.52Å; L191-D243 WeakPolarHBondContact CA-O 3.37Å; L191-D243 HydrophobicContact CB-CB 4.47Å; L191-D243 HydrophobicContact CD1-CB 4.29Å; L191-D243 HydrophobicContact CG-CB 4.41Å; F192-D243 PolarHBondContact N-O 2.73Å; N211-D243 PolarHBondContact ND2-OD1 3.39Å; N211-D243 WeakPolarHBondContact OD1-CA 3.27Å; N211-D243 PolarHBondContact OD1-OD1 3.39Å; N211-D243 VanDerWaalsContact OD1-OD1 3.07Å; K241-D243 IonicContact NZ-OD2 2.9Å; D243-H281 IonicContact OD1-NE2 3.47Å; D243-H281 IonicContact OD2-CD2 3.23Å; D243-H281 IonicContact OD2-CE1 2.69Å; D243-H281 PolarHBondContact OD2-CE1 2.86Å; D243-H281 IonicContact OD2-NE2 4Å; D243-H281 PolarHBondContact OD2-NE2 3.48Å |
| 244 | C | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 137.7 | 178.9 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | F192 N207 G210 N211 L214 | F192-C244 HydrophobicContact CB-CB 4.04Å; F192-C244 CarbonylContact O-C 3.57Å; F192-C244 VanDerWaalsContact O-CA 3.25Å; F192-C244 WeakPolarHBondContact O-CA 3.42Å; N207-C244 WeakPolarHBondContact CA-O 3.39Å; G210-C244 VanDerWaalsContact C-CB 3.4Å; G210-C244 VanDerWaalsContact C-SG 3.51Å; G210-C244 WeakPolarHBondContact CA-O 3.29Å; G210-C244 VanDerWaalsContact CA-SG 3.52Å; G210-C244 WeakPolarHBondContact O-CB 3.27Å; G210-C244 PolarHBondContact O-SG 2.95Å; N211-C244 PolarHBondContact OD1-N 2.98Å; N211-C244 VanDerWaalsContact OD1-N 3.11Å; L214-C244 HydrophobicContact CB-CB 3.64Å; L214-C244 HydrophobicContact CD2-CB 3.86Å; L214-C244 HydrophobicContact CG-CB 4.24Å |
| 245 | F | 98.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 126.7 | 179.8 | -161.3 | -71.7 | 0 | 0 | 0 | 110.1 | L191 F192 L193 V194 N207 M247 N274 A277 L278 | L191-F245 HydrophobicContact CD1-CB 4.47Å; L191-F245 HydrophobicContact CD2-CB 4.25Å; F192-F245 PolarHBondContact O-N 3.1Å; L193-F245 HydrophobicContact CD1-CB 4.02Å; L193-F245 HydrophobicContact CD1-CD1 4.18Å; L193-F245 HydrophobicContact CD1-CG 4.44Å; V194-F245 PolarHBondContact N-O 3.15Å; N207-F245 HydrophobicContact CB-CD2 3.97Å; N207-F245 HydrophobicContact CB-CE2 4.36Å; F245-M247 HydrophobicContact CD1-CG 3.98Å; F245-M247 HydrophobicContact CD1-SD 3.76Å; F245-M247 HydrophobicContact CE1-CG 4.2Å; F245-M247 HydrophobicContact CE1-SD 3.38Å; F245-M247 WeakPolarHBondContact CE1-SD 3.32Å; F245-M247 HydrophobicContact CZ-SD 4.43Å; F245-N274 HydrophobicContact CE1-CB 4.3Å; F245-N274 WeakPolarHBondContact CZ-O 3.06Å; F245-A277 HydrophobicContact CE2-CB 4.42Å; F245-A277 HydrophobicContact CZ-CB 4.1Å; F245-L278 HydrophobicContact CB-CD1 4.07Å; F245-L278 HydrophobicContact CD1-CB 4.33Å; F245-L278 HydrophobicContact CD1-CD1 4.04Å; F245-L278 HydrophobicContact CD2-CB 4.36Å; F245-L278 HydrophobicContact CD2-CD1 3.75Å; F245-L278 HydrophobicContact CE1-CB 3.9Å; F245-L278 HydrophobicContact CE1-CD1 4.45Å; F245-L278 HydrophobicContact CE2-CB 3.9Å; F245-L278 HydrophobicContact CE2-CD1 4.16Å; F245-L278 HydrophobicContact CG-CD1 3.68Å; F245-L278 HydrophobicContact CZ-CB 3.65Å; F245-L278 HydrophobicContact CZ-CD1 4.49Å |
| 246 | L | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 118.8 | 178.8 | -51 | -177.5 | 0 | 0 | 0 | 110.1 | V194 W197 G206 G210 L213 | V194-L246 HydrophobicContact CB-CD2 3.68Å; V194-L246 HydrophobicContact CG1-CD2 4.38Å; V194-L246 HydrophobicContact CG2-CD2 3.74Å; W197-L246 HydrophobicContact CB-CB 4.09Å; W197-L246 HydrophobicContact CD2-CD1 4.06Å; W197-L246 HydrophobicContact CD2-CD2 4.45Å; W197-L246 HydrophobicContact CG-CB 3.96Å; W197-L246 HydrophobicContact CG-CD1 4.13Å; W197-L246 HydrophobicContact CG-CG 4.41Å; W197-L246 HydrophobicContact CZ2-CD1 4.29Å; G206-L246 PolarHBondContact N-O 2.7Å; G206-L246 PolarHBondContact O-N 3.15Å; G206-L246 VanDerWaalsContact O-N 3.11Å; G210-L246 VanDerWaalsContact CA-CG 3.46Å; L213-L246 HydrophobicContact CD2-CD1 4.36Å; L213-L246 HydrophobicContact CD2-CD2 3.75Å |
| 247 | M | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -102.9 | 137.4 | 177.3 | -70 | -67.9 | -68.9 | 0 | 0 | 110.4 | L193 V194 D196 W197 F245 F271 N274 L275 L278 | L193-M247 HydrophobicContact CD1-CG 3.57Å; L193-M247 HydrophobicContact CG-CG 4.46Å; V194-M247 PolarHBondContact O-N 3.46Å; D196-M247 PolarHBondContact N-O 2.91Å; W197-M247 WeakPolarHBondContact CB-O 3.08Å; W197-M247 PolarHBondContact N-O 2.94Å; F245-M247 HydrophobicContact CD1-CG 3.98Å; F245-M247 HydrophobicContact CD1-SD 3.76Å; F245-M247 HydrophobicContact CE1-CG 4.2Å; F245-M247 HydrophobicContact CE1-SD 3.38Å; F245-M247 WeakPolarHBondContact CE1-SD 3.32Å; F245-M247 HydrophobicContact CZ-SD 4.43Å; M247-F271 HydrophobicContact CE-CD1 4.32Å; M247-F271 HydrophobicContact CE-CD2 3.75Å; M247-F271 HydrophobicContact CE-CE1 4.03Å; M247-F271 HydrophobicContact CE-CE2 3.41Å; M247-F271 VanDerWaalsContact CE-CE2 3.41Å; M247-F271 HydrophobicContact CE-CG 4.2Å; M247-F271 HydrophobicContact CE-CZ 3.57Å; M247-N274 HydrophobicContact CE-CB 4.3Å; M247-N274 HydrophobicContact SD-CB 3.91Å; M247-L275 HydrophobicContact CE-CB 4.25Å; M247-L275 HydrophobicContact CE-CD1 4.44Å; M247-L278 HydrophobicContact CE-CD2 4.39Å; M247-L278 HydrophobicContact CG-CD2 4.29Å; M247-L278 HydrophobicContact SD-CB 4.32Å; M247-L278 HydrophobicContact SD-CD2 3.81Å |
| 248 | P | 97.7 | Very high | 94.9 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 173.5 | 168.9 | 31.6 | -36.7 | 0 | 0 | 0 | 111.2 | F205 F271 N274 | F205-P248 HydrophobicContact CD1-CB 4.16Å; F205-P248 HydrophobicContact CD2-CB 4.47Å; F205-P248 HydrophobicContact CE1-CB 3.68Å; F205-P248 HydrophobicContact CE2-CB 4.01Å; F205-P248 HydrophobicContact CZ-CB 3.61Å; P248-F271 VanDerWaalsContact CG-CA 3.47Å; P248-F271 HydrophobicContact CG-CB 4.03Å; P248-F271 HydrophobicContact CG-CD2 4.41Å; P248-F271 WeakPolarHBondContact O-CD2 3.23Å; P248-N274 HydrophobicContact CG-CB 4.39Å |
| 249 | H | 97 | Very high | 94.9 | Very high | 70 Ų | 70 | 52.5 Ų | 52.5 | 32% | 0.324 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 136.3 | 172.1 | -175 | -81 | 0 | 0 | 0 | 110.4 | D196 G251 S255 | D196-H249 HydrophobicContact CB-CB 4.31Å; D196-H249 VanDerWaalsContact CG-CD2 3.45Å; D196-H249 WeakPolarHBondContact OD1-CA 3.41Å; D196-H249 IonicContact OD1-CD2 2.7Å; D196-H249 IonicContact OD1-CG 3.03Å; D196-H249 IonicContact OD2-CD2 3.87Å; D196-H249 PolarHBondContact OD2-CD2 3.49Å; H249-G251 PolarHBondContact CE1-O 2.92Å; H249-G251 PolarHBondContact ND1-N 3.15Å; H249-G251 VanDerWaalsContact ND1-N 3.1Å; H249-G251 PolarHBondContact O-N 2.64Å; H249-S255 PolarHBondContact CE1-OG 3.14Å; H249-S255 PolarHBondContact NE2-OG 3.42Å; H249-S255 VanDerWaalsContact NE2-OG 3.13Å |
| 250 | P | 96.2 | Very high | 94.8 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 4% | 0.039 | 29% | 0.289 | C | S | . | . | trans | -72.7 | 6.3 | -174.1 | 31.2 | -38.2 | 0 | 0 | 0 | 115.3 | D196 V254 I267 D268 F271 | D196-P250 VanDerWaalsContact OD1-CD 3.3Å; D196-P250 WeakPolarHBondContact OD1-CD 3.47Å; P250-V254 HydrophobicContact CB-CB 3.99Å; P250-V254 HydrophobicContact CB-CG1 3.92Å; P250-V254 HydrophobicContact CB-CG2 4.06Å; P250-V254 HydrophobicContact CG-CB 4.05Å; P250-V254 HydrophobicContact CG-CG1 3.85Å; P250-V254 VanDerWaalsContact O-CG2 3.25Å; P250-V254 WeakPolarHBondContact O-CG2 3.39Å; P250-I267 HydrophobicContact CB-CG2 4.35Å; P250-D268 PolarHBondContact O-N 3.27Å; P250-F271 HydrophobicContact CB-CD1 4.35Å; P250-F271 HydrophobicContact CB-CD2 3.71Å; P250-F271 HydrophobicContact CB-CE2 3.9Å; P250-F271 HydrophobicContact CB-CG 3.95Å; P250-F271 HydrophobicContact CB-CZ 4.31Å | ||
| 251 | G | 95.1 | Very high | 94.8 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | trans | 89.5 | 151.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | H249 K253 V254 S255 | H249-G251 PolarHBondContact CE1-O 2.92Å; H249-G251 PolarHBondContact ND1-N 3.15Å; H249-G251 VanDerWaalsContact ND1-N 3.1Å; H249-G251 PolarHBondContact O-N 2.64Å; G251-K253 PolarHBondContact O-N 3.34Å; G251-V254 PolarHBondContact O-N 3.01Å; G251-S255 PolarHBondContact O-N 3.13Å | ||
| 252 | L | 93.6 | Very high | 94.6 | Very high | 131 Ų | 131 | 47 Ų | 47 | 69% | 0.686 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.5 | -29.4 | -174.8 | -66.8 | 176.6 | 0 | 0 | 0 | 113.4 | V254 S255 T256 | L252-V254 VanDerWaalsContact C-N 3.3Å; L252-V254 PolarHBondContact O-N 3.21Å; L252-S255 PolarHBondContact O-N 3.05Å; L252-T256 WeakPolarHBondContact O-CB 3.49Å; L252-T256 PolarHBondContact O-N 2.94Å; L252-T256 PolarHBondContact O-OG1 3.38Å |
| 253 | K | 92.9 | Very high | 94.5 | Very high | 93 Ų | 93 | 48.5 Ų | 48.5 | 40% | 0.404 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 178.6 | -169.1 | 170.9 | 178.2 | 179.4 | 0 | 111.2 | G251 N257 D266 | G251-K253 PolarHBondContact O-N 3.34Å; K253-N257 HydrophobicContact CG-CB 4.3Å; K253-N257 WeakPolarHBondContact O-CB 3.3Å; K253-N257 PolarHBondContact O-N 3.17Å; K253-D266 HydrophobicContact CD-CB 3.87Å; K253-D266 WeakPolarHBondContact CE-OD1 3.45Å; K253-D266 WeakPolarHBondContact CE-OD2 3.37Å; K253-D266 IonicContact NZ-OD1 2.64Å; K253-D266 PolarHBondContact NZ-OD1 3.15Å; K253-D266 IonicContact NZ-OD2 3.18Å; K253-D266 PolarHBondContact NZ-OD2 3.39Å |
| 254 | V | 93.2 | Very high | 94.4 | Very high | 25 Ų | 25 | 49 Ų | 49 | 15% | 0.152 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67 | -44.3 | 175.9 | 178 | 0 | 0 | 0 | 0 | 111 | F59 P250 G251 L252 F260 I267 | F59-V254 HydrophobicContact CZ-CG1 4.28Å; P250-V254 HydrophobicContact CB-CB 3.99Å; P250-V254 HydrophobicContact CB-CG1 3.92Å; P250-V254 HydrophobicContact CB-CG2 4.06Å; P250-V254 HydrophobicContact CG-CB 4.05Å; P250-V254 HydrophobicContact CG-CG1 3.85Å; P250-V254 VanDerWaalsContact O-CG2 3.25Å; P250-V254 WeakPolarHBondContact O-CG2 3.39Å; G251-V254 PolarHBondContact O-N 3.01Å; L252-V254 VanDerWaalsContact C-N 3.3Å; L252-V254 PolarHBondContact O-N 3.21Å; V254-F260 HydrophobicContact CB-CD1 4.45Å; V254-F260 HydrophobicContact CB-CE1 4.16Å; V254-F260 HydrophobicContact CB-CZ 4.23Å; V254-F260 HydrophobicContact CG1-CD1 4.12Å; V254-F260 HydrophobicContact CG1-CE1 3.62Å; V254-F260 HydrophobicContact CG1-CZ 4.01Å; V254-F260 HydrophobicContact CG2-CD2 4.39Å; V254-F260 HydrophobicContact CG2-CE1 4.06Å; V254-F260 HydrophobicContact CG2-CE2 3.82Å; V254-F260 HydrophobicContact CG2-CZ 3.61Å; V254-I267 HydrophobicContact CG2-CB 4.36Å; V254-I267 HydrophobicContact CG2-CG1 3.9Å; V254-I267 HydrophobicContact CG2-CG2 4.47Å |
| 255 | S | 90.7 | Very high | 94.2 | Very high | 66 Ų | 66 | 53.9 Ų | 53.9 | 46% | 0.462 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -79.8 | -27.5 | -172.5 | -49.4 | 0 | 0 | 0 | 0 | 114.4 | H249 G251 L252 | H249-S255 PolarHBondContact CE1-OG 3.14Å; H249-S255 PolarHBondContact NE2-OG 3.42Å; H249-S255 VanDerWaalsContact NE2-OG 3.13Å; G251-S255 PolarHBondContact O-N 3.13Å; L252-S255 PolarHBondContact O-N 3.05Å |
| 256 | T | 91 | Very high | 94.1 | Very high | 102 Ų | 102 | 55.3 Ų | 55.3 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -119.5 | -18.8 | -168.1 | 66.5 | 0 | 0 | 0 | 0 | 114.8 | L252 P258 | L252-T256 WeakPolarHBondContact O-CB 3.49Å; L252-T256 PolarHBondContact O-N 2.94Å; L252-T256 PolarHBondContact O-OG1 3.38Å; T256-P258 VanDerWaalsContact O-CD 3.3Å; T256-P258 WeakPolarHBondContact O-CD 3.3Å |
| 257 | N | 91.9 | Very high | 94 | Very high | 56 Ų | 56 | 55.8 Ų | 55.8 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | trans | -86.7 | 114.7 | -176.3 | -174 | -3.5 | 0 | 0 | 0 | 110.9 | K253 K259 F260 | K253-N257 HydrophobicContact CG-CB 4.3Å; K253-N257 WeakPolarHBondContact O-CB 3.3Å; K253-N257 PolarHBondContact O-N 3.17Å; N257-K259 PolarHBondContact O-N 2.78Å; N257-K259 VanDerWaalsContact O-N 3.11Å; N257-K259 WeakPolarHBondContact OD1-CB 3.2Å; N257-K259 PolarHBondContact OD1-N 3.34Å; N257-F260 HydrophobicContact CB-CB 4.29Å; N257-F260 WeakPolarHBondContact O-CB 3.31Å; N257-F260 PolarHBondContact O-N 3.32Å; N257-F260 VanDerWaalsContact O-N 3.12Å | ||
| 258 | P | 89.2 | Confident | 94 | Very high | 125 Ų | 125 | 58.9 Ų | 58.9 | 81% | 0.812 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14.1 | 178.6 | 28.8 | -36.3 | 0 | 0 | 0 | 113.5 | T256 | T256-P258 VanDerWaalsContact O-CD 3.3Å; T256-P258 WeakPolarHBondContact O-CD 3.3Å |
| 259 | K | 92 | Very high | 93.9 | Very high | 180 Ų | 180 | 63.3 Ų | 63.3 | 78% | 0.783 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 3.5 | 177.7 | -59.8 | -176.8 | 178.6 | 179.9 | 0 | 113.4 | N257 D261 | N257-K259 PolarHBondContact O-N 2.78Å; N257-K259 VanDerWaalsContact O-N 3.11Å; N257-K259 WeakPolarHBondContact OD1-CB 3.2Å; N257-K259 PolarHBondContact OD1-N 3.34Å; K259-D261 PolarHBondContact O-N 3.19Å |
| 260 | F | 92.3 | Very high | 93.9 | Very high | 20 Ų | 20 | 61.8 Ų | 61.8 | 9% | 0.088 | 34% | 0.335 | C | S | . | . | trans | -67.3 | 127.8 | 176.5 | 174.5 | -108 | 0 | 0 | 0 | 110.3 | F59 W89 V254 N257 D266 I267 | F59-F260 HydrophobicContact CD2-CE1 4.37Å; F59-F260 AromaticContact CE2-CE1 3.67Å; F59-F260 HydrophobicContact CE2-CE1 3.67Å; F59-F260 AromaticContact CE2-CZ 3.91Å; F59-F260 HydrophobicContact CE2-CZ 3.91Å; F59-F260 HydrophobicContact CZ-CE1 4.36Å; F59-F260 HydrophobicContact CZ-CZ 4.37Å; W89-F260 AromaticContact CH2-CD1 3.67Å; W89-F260 HydrophobicContact CH2-CD1 3.67Å; W89-F260 AromaticContact CH2-CE1 3.58Å; W89-F260 HydrophobicContact CH2-CE1 3.58Å; W89-F260 AromaticContact CZ3-CD1 3.87Å; W89-F260 HydrophobicContact CZ3-CD1 3.87Å; W89-F260 AromaticContact CZ3-CE1 3.94Å; W89-F260 HydrophobicContact CZ3-CE1 3.94Å; V254-F260 HydrophobicContact CB-CD1 4.45Å; V254-F260 HydrophobicContact CB-CE1 4.16Å; V254-F260 HydrophobicContact CB-CZ 4.23Å; V254-F260 HydrophobicContact CG1-CD1 4.12Å; V254-F260 HydrophobicContact CG1-CE1 3.62Å; V254-F260 HydrophobicContact CG1-CZ 4.01Å; V254-F260 HydrophobicContact CG2-CD2 4.39Å; V254-F260 HydrophobicContact CG2-CE1 4.06Å; V254-F260 HydrophobicContact CG2-CE2 3.82Å; V254-F260 HydrophobicContact CG2-CZ 3.61Å; N257-F260 HydrophobicContact CB-CB 4.29Å; N257-F260 WeakPolarHBondContact O-CB 3.31Å; N257-F260 PolarHBondContact O-N 3.32Å; N257-F260 VanDerWaalsContact O-N 3.12Å; F260-D266 HydrophobicContact CD2-CB 4.18Å; F260-D266 HydrophobicContact CE2-CB 4Å; F260-I267 HydrophobicContact CE2-CG1 4.14Å; F260-I267 HydrophobicContact CZ-CD1 4.23Å; F260-I267 HydrophobicContact CZ-CG1 3.96Å | ||
| 261 | D | 93 | Very high | 94 | Very high | 46 Ų | 46 | 61.5 Ų | 61.5 | 25% | 0.246 | 33% | 0.333 | C | S | . | . | trans | -122.1 | 21.4 | -175.6 | 64.7 | -10.5 | 0 | 0 | 0 | 112.8 | P83 L84 K259 R263 | P83-D261 WeakPolarHBondContact CA-O 3.43Å; P83-D261 HydrophobicContact CB-CB 4.32Å; P83-D261 WeakPolarHBondContact CG-OD2 3.43Å; L84-D261 PolarHBondContact N-O 3.16Å; K259-D261 PolarHBondContact O-N 3.19Å; D261-R263 WeakPolarHBondContact OD1-CG 3.32Å; D261-R263 IonicContact OD1-CZ 3.67Å; D261-R263 IonicContact OD1-NH1 2.97Å; D261-R263 PolarHBondContact OD1-NH1 3.36Å; D261-R263 IonicContact OD2-CZ 3.11Å; D261-R263 IonicContact OD2-NE 3.97Å; D261-R263 IonicContact OD2-NH1 2.65Å; D261-R263 PolarHBondContact OD2-NH1 3.08Å; D261-R263 IonicContact OD2-NH2 3.33Å; D261-R263 PolarHBondContact OD2-NH2 3.47Å | ||
| 262 | G | 92.5 | Very high | 94 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | 84.4 | 7.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | V264 | G262-V264 PolarHBondContact O-N 3.26Š| ||
| 263 | R | 95 | Very high | 94.2 | Very high | 71 Ų | 71 | 61.9 Ų | 61.9 | 27% | 0.268 | 33% | 0.328 | S | S | . | . | trans | -58.8 | 130.7 | 173.3 | -74.3 | -176.3 | -178.3 | 97.6 | 5.4 | 111.4 | E81 P83 D261 K265 D266 | E81-R263 VanDerWaalsContact O-CD 3.24Å; E81-R263 WeakPolarHBondContact O-CD 3.33Å; E81-R263 WeakPolarHBondContact O-CG 3.5Å; E81-R263 PolarHBondContact O-NE 3.1Å; P83-R263 HydrophobicContact CG-CG 4.49Å; D261-R263 WeakPolarHBondContact OD1-CG 3.32Å; D261-R263 IonicContact OD1-CZ 3.67Å; D261-R263 IonicContact OD1-NH1 2.97Å; D261-R263 PolarHBondContact OD1-NH1 3.36Å; D261-R263 IonicContact OD2-CZ 3.11Å; D261-R263 IonicContact OD2-NE 3.97Å; D261-R263 IonicContact OD2-NH1 2.65Å; D261-R263 PolarHBondContact OD2-NH1 3.08Å; D261-R263 IonicContact OD2-NH2 3.33Å; D261-R263 PolarHBondContact OD2-NH2 3.47Å; R263-K265 VanDerWaalsContact C-N 3.29Å; R263-K265 HydrophobicContact CB-CG 4.25Å; R263-K265 PolarHBondContact O-N 3.34Å; R263-D266 PolarHBondContact O-N 3.48Å | ||
| 264 | V | 95.3 | Very high | 94.4 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -64.9 | -33.3 | -175.2 | 178.1 | 0 | 0 | 0 | 0 | 111.9 | F63 L77 P80 G262 D266 I267 V272 | F63-V264 HydrophobicContact CE1-CG2 4Å; L77-V264 HydrophobicContact CD2-CG2 4.4Å; P80-V264 HydrophobicContact CB-CB 4.33Å; P80-V264 PolarHBondContact O-N 3.19Å; G262-V264 PolarHBondContact O-N 3.26Å; V264-D266 PolarHBondContact O-N 2.87Å; V264-I267 WeakPolarHBondContact O-CB 3.32Å; V264-I267 PolarHBondContact O-N 3.32Å; V264-V272 HydrophobicContact CG1-CG1 3.95Å; V264-V272 HydrophobicContact CG1-CG2 3.8Å |
| 265 | K | 95.1 | Very high | 94.6 | Very high | 102 Ų | 102 | 57.1 Ų | 57.1 | 44% | 0.443 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -58.7 | -22.2 | 178 | 79.2 | -172.9 | -164.1 | 172.3 | 0 | 114.3 | P80 E81 R263 | P80-K265 HydrophobicContact CB-CB 4.13Å; P80-K265 PolarHBondContact O-N 3.46Å; E81-K265 HydrophobicContact CG-CD 4.43Å; E81-K265 WeakPolarHBondContact OE1-CD 2.98Å; E81-K265 WeakPolarHBondContact OE1-CE 3.33Å; E81-K265 IonicContact OE1-NZ 2.78Å; E81-K265 PolarHBondContact OE1-NZ 3.28Å; E81-K265 WeakPolarHBondContact OE2-CD 3.4Å; E81-K265 WeakPolarHBondContact OE2-CE 3.5Å; E81-K265 IonicContact OE2-NZ 2.59Å; E81-K265 PolarHBondContact OE2-NZ 2.85Å; R263-K265 VanDerWaalsContact C-N 3.29Å; R263-K265 HydrophobicContact CB-CG 4.25Å; R263-K265 PolarHBondContact O-N 3.34Å |
| 266 | D | 95.6 | Very high | 94.9 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 17% | 0.171 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -97.9 | 0.8 | -175.5 | -73.1 | -20.5 | 0 | 0 | 0 | 112.4 | K253 F260 R263 V264 | K253-D266 HydrophobicContact CD-CB 3.87Å; K253-D266 WeakPolarHBondContact CE-OD1 3.45Å; K253-D266 WeakPolarHBondContact CE-OD2 3.37Å; K253-D266 IonicContact NZ-OD1 2.64Å; K253-D266 PolarHBondContact NZ-OD1 3.15Å; K253-D266 IonicContact NZ-OD2 3.18Å; K253-D266 PolarHBondContact NZ-OD2 3.39Å; F260-D266 HydrophobicContact CD2-CB 4.18Å; F260-D266 HydrophobicContact CE2-CB 4Å; R263-D266 PolarHBondContact O-N 3.48Å; V264-D266 PolarHBondContact O-N 2.87Å |
| 267 | I | 96.5 | Very high | 95.2 | Very high | 9 Ų | 9 | 55.4 Ų | 55.4 | 5% | 0.046 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -99.8 | 144.3 | -179.6 | -55.6 | 177.9 | 0 | 0 | 0 | 108.9 | F59 F63 P250 V254 F260 V264 F271 V272 | F59-I267 HydrophobicContact CZ-CD1 4.01Å; F63-I267 HydrophobicContact CE2-CD1 4.32Å; F63-I267 HydrophobicContact CZ-CD1 3.68Å; P250-I267 HydrophobicContact CB-CG2 4.35Å; V254-I267 HydrophobicContact CG2-CB 4.36Å; V254-I267 HydrophobicContact CG2-CG1 3.9Å; V254-I267 HydrophobicContact CG2-CG2 4.47Å; F260-I267 HydrophobicContact CE2-CG1 4.14Å; F260-I267 HydrophobicContact CZ-CD1 4.23Å; F260-I267 HydrophobicContact CZ-CG1 3.96Å; V264-I267 WeakPolarHBondContact O-CB 3.32Å; V264-I267 PolarHBondContact O-N 3.32Å; I267-F271 HydrophobicContact CG2-CB 4.02Å; I267-F271 HydrophobicContact CG2-CD1 3.47Å; I267-F271 VanDerWaalsContact CG2-CD1 3.47Å; I267-F271 HydrophobicContact CG2-CE1 4.25Å; I267-F271 HydrophobicContact CG2-CG 3.99Å; I267-V272 HydrophobicContact CB-CG2 3.99Å; I267-V272 HydrophobicContact CG2-CG2 3.88Å |
| 268 | D | 97.1 | Very high | 95.5 | Very high | 65 Ų | 65 | 52.7 Ų | 52.7 | 35% | 0.348 | 28% | 0.281 | S | S | . | . | trans | -55.2 | 130.4 | 176.6 | -169.8 | -82.3 | 0 | 0 | 0 | 111.9 | P250 S270 F271 V272 | P250-D268 PolarHBondContact O-N 3.27Å; D268-S270 VanDerWaalsContact C-N 3.26Å; D268-S270 PolarHBondContact O-N 3.48Å; D268-S270 VanDerWaalsContact OD1-CB 3.27Å; D268-S270 WeakPolarHBondContact OD1-CB 3.33Å; D268-S270 PolarHBondContact OD1-N 3.34Å; D268-F271 HydrophobicContact CB-CB 4.32Å; D268-F271 WeakPolarHBondContact O-CA 3.48Å; D268-F271 WeakPolarHBondContact O-CB 3.43Å; D268-F271 PolarHBondContact O-N 3.49Å; D268-V272 PolarHBondContact O-N 2.94Å; D268-V272 VanDerWaalsContact O-N 3.1Å | ||
| 269 | P | 97.1 | Very high | 95.9 | Very high | 99 Ų | 99 | 46.8 Ų | 46.8 | 64% | 0.643 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -56.8 | -35.4 | -177.7 | -27.4 | 35.3 | 0 | 0 | 0 | 114.3 | F271 V272 E273 | P269-F271 VanDerWaalsContact C-N 3.3Å; P269-F271 PolarHBondContact O-N 2.94Å; P269-V272 PolarHBondContact O-N 3.47Å; P269-E273 PolarHBondContact O-N 2.92Å |
| 270 | S | 96.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 27% | 0.266 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.7 | -35.5 | 178 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | D268 N274 | D268-S270 VanDerWaalsContact C-N 3.26Å; D268-S270 PolarHBondContact O-N 3.48Å; D268-S270 VanDerWaalsContact OD1-CB 3.27Å; D268-S270 WeakPolarHBondContact OD1-CB 3.33Å; D268-S270 PolarHBondContact OD1-N 3.34Å; S270-N274 PolarHBondContact O-N 3.25Å; S270-N274 VanDerWaalsContact O-N 3.15Å; S270-N274 PolarHBondContact O-ND2 3.5Å |
| 271 | F | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65 | -43.7 | 172.1 | -176.2 | -82.1 | 0 | 0 | 0 | 111.8 | F59 M247 P248 P250 I267 D268 P269 E273 N274 L275 | F59-F271 HydrophobicContact CE1-CE1 4.18Å; F59-F271 HydrophobicContact CE1-CZ 4.05Å; M247-F271 HydrophobicContact CE-CD1 4.32Å; M247-F271 HydrophobicContact CE-CD2 3.75Å; M247-F271 HydrophobicContact CE-CE1 4.03Å; M247-F271 HydrophobicContact CE-CE2 3.41Å; M247-F271 VanDerWaalsContact CE-CE2 3.41Å; M247-F271 HydrophobicContact CE-CG 4.2Å; M247-F271 HydrophobicContact CE-CZ 3.57Å; P248-F271 VanDerWaalsContact CG-CA 3.47Å; P248-F271 HydrophobicContact CG-CB 4.03Å; P248-F271 HydrophobicContact CG-CD2 4.41Å; P248-F271 WeakPolarHBondContact O-CD2 3.23Å; P250-F271 HydrophobicContact CB-CD1 4.35Å; P250-F271 HydrophobicContact CB-CD2 3.71Å; P250-F271 HydrophobicContact CB-CE2 3.9Å; P250-F271 HydrophobicContact CB-CG 3.95Å; P250-F271 HydrophobicContact CB-CZ 4.31Å; I267-F271 HydrophobicContact CG2-CB 4.02Å; I267-F271 HydrophobicContact CG2-CD1 3.47Å; I267-F271 VanDerWaalsContact CG2-CD1 3.47Å; I267-F271 HydrophobicContact CG2-CE1 4.25Å; I267-F271 HydrophobicContact CG2-CG 3.99Å; D268-F271 HydrophobicContact CB-CB 4.32Å; D268-F271 WeakPolarHBondContact O-CA 3.48Å; D268-F271 WeakPolarHBondContact O-CB 3.43Å; D268-F271 PolarHBondContact O-N 3.49Å; P269-F271 VanDerWaalsContact C-N 3.3Å; P269-F271 PolarHBondContact O-N 2.94Å; F271-E273 PolarHBondContact O-N 2.9Å; F271-N274 PolarHBondContact O-N 3.24Å; F271-L275 HydrophobicContact CD1-CB 4.47Å; F271-L275 HydrophobicContact CE1-CB 4.37Å; F271-L275 HydrophobicContact CE1-CD1 4.41Å; F271-L275 HydrophobicContact CE1-CD2 4.19Å; F271-L275 VanDerWaalsContact O-CB 3.25Å; F271-L275 WeakPolarHBondContact O-CB 3.43Å; F271-L275 PolarHBondContact O-N 3.23Å |
| 272 | V | 97.1 | Very high | 96.4 | Very high | 20 Ų | 20 | 38.8 Ų | 38.8 | 12% | 0.121 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 178.8 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | L77 V264 I267 D268 P269 N274 L275 I276 | L77-V272 HydrophobicContact CD1-CG1 3.68Å; V264-V272 HydrophobicContact CG1-CG1 3.95Å; V264-V272 HydrophobicContact CG1-CG2 3.8Å; I267-V272 HydrophobicContact CB-CG2 3.99Å; I267-V272 HydrophobicContact CG2-CG2 3.88Å; D268-V272 PolarHBondContact O-N 2.94Å; D268-V272 VanDerWaalsContact O-N 3.1Å; P269-V272 PolarHBondContact O-N 3.47Å; V272-N274 PolarHBondContact O-N 2.97Å; V272-L275 WeakPolarHBondContact O-CB 3.23Å; V272-L275 PolarHBondContact O-N 3.42Å; V272-I276 HydrophobicContact CG1-CD1 4.15Å; V272-I276 VanDerWaalsContact O-CG1 3.31Å; V272-I276 WeakPolarHBondContact O-CG1 3.18Å; V272-I276 PolarHBondContact O-N 3.38Å |
| 273 | E | 97 | Very high | 96.7 | Very high | 135 Ų | 135 | 38.8 Ų | 38.8 | 63% | 0.631 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -57.5 | -48.7 | 175.4 | -177.4 | -180 | -172.4 | 0 | 0 | 112 | P269 F271 L275 I276 A277 | P269-E273 PolarHBondContact O-N 2.92Å; F271-E273 PolarHBondContact O-N 2.9Å; E273-L275 VanDerWaalsContact C-N 3.31Å; E273-L275 PolarHBondContact O-N 2.93Å; E273-I276 WeakPolarHBondContact O-CB 2.98Å; E273-I276 PolarHBondContact O-N 2.99Å; E273-A277 PolarHBondContact O-N 3.44Å |
| 274 | N | 97.8 | Very high | 96.7 | Very high | 17 Ų | 17 | 36.1 Ų | 36.1 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.4 | -29.7 | 178.6 | -78.1 | -76.5 | 0 | 0 | 0 | 112.8 | F205 F245 M247 P248 S270 F271 V272 A277 L278 | F205-N274 VanDerWaalsContact CB-OD1 3.25Å; F205-N274 WeakPolarHBondContact CB-OD1 3.33Å; F245-N274 HydrophobicContact CE1-CB 4.3Å; F245-N274 WeakPolarHBondContact CZ-O 3.06Å; M247-N274 HydrophobicContact CE-CB 4.3Å; M247-N274 HydrophobicContact SD-CB 3.91Å; P248-N274 HydrophobicContact CG-CB 4.39Å; S270-N274 PolarHBondContact O-N 3.25Å; S270-N274 VanDerWaalsContact O-N 3.15Å; S270-N274 PolarHBondContact O-ND2 3.5Å; F271-N274 PolarHBondContact O-N 3.24Å; V272-N274 PolarHBondContact O-N 2.97Å; N274-A277 PolarHBondContact O-N 2.86Å; N274-L278 WeakPolarHBondContact O-CB 3.2Å; N274-L278 PolarHBondContact O-N 3.39Å |
| 275 | L | 96.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.9 | -40.1 | 172.7 | -174.2 | 70.4 | 0 | 0 | 0 | 111.4 | L60 F63 W76 L77 M247 F271 V272 E273 A277 L278 V279 | L60-L275 HydrophobicContact CD1-CD1 3.99Å; F63-L275 HydrophobicContact CB-CD1 4.24Å; F63-L275 HydrophobicContact CB-CD2 4.24Å; F63-L275 HydrophobicContact CD1-CD2 3.62Å; F63-L275 HydrophobicContact CD2-CD1 4.4Å; F63-L275 HydrophobicContact CD2-CD2 3.86Å; F63-L275 HydrophobicContact CE1-CD2 3.83Å; F63-L275 HydrophobicContact CE2-CD2 4.06Å; F63-L275 HydrophobicContact CG-CD1 4.34Å; F63-L275 HydrophobicContact CG-CD2 3.64Å; F63-L275 HydrophobicContact CG-CG 4.47Å; F63-L275 HydrophobicContact CZ-CD2 4.05Å; W76-L275 HydrophobicContact CH2-CD2 4.34Å; W76-L275 HydrophobicContact CH2-CG 4.12Å; L77-L275 HydrophobicContact CD2-CD2 4.08Å; M247-L275 HydrophobicContact CE-CB 4.25Å; M247-L275 HydrophobicContact CE-CD1 4.44Å; F271-L275 HydrophobicContact CD1-CB 4.47Å; F271-L275 HydrophobicContact CE1-CB 4.37Å; F271-L275 HydrophobicContact CE1-CD1 4.41Å; F271-L275 HydrophobicContact CE1-CD2 4.19Å; F271-L275 VanDerWaalsContact O-CB 3.25Å; F271-L275 WeakPolarHBondContact O-CB 3.43Å; F271-L275 PolarHBondContact O-N 3.23Å; V272-L275 WeakPolarHBondContact O-CB 3.23Å; V272-L275 PolarHBondContact O-N 3.42Å; E273-L275 VanDerWaalsContact C-N 3.31Å; E273-L275 PolarHBondContact O-N 2.93Å; L275-A277 PolarHBondContact O-N 3.46Å; L275-L278 PolarHBondContact O-N 3.24Å; L275-V279 HydrophobicContact CD1-CG2 3.81Å; L275-V279 HydrophobicContact CG-CG2 4.15Å; L275-V279 WeakPolarHBondContact O-CG2 3.36Å; L275-V279 PolarHBondContact O-N 3.44Å; L275-V279 VanDerWaalsContact O-N 3.07Å |
| 276 | I | 96.9 | Very high | 96.7 | Very high | 80 Ų | 80 | 37.5 Ų | 37.5 | 41% | 0.41 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60 | -31.9 | 173.8 | -68 | 165 | 0 | 0 | 0 | 111.3 | L77 V272 E273 P280 | L77-I276 HydrophobicContact CD1-CD1 3.71Å; L77-I276 HydrophobicContact CD1-CG1 3.55Å; L77-I276 HydrophobicContact CG-CG1 4.39Å; V272-I276 HydrophobicContact CG1-CD1 4.15Å; V272-I276 VanDerWaalsContact O-CG1 3.31Å; V272-I276 WeakPolarHBondContact O-CG1 3.18Å; V272-I276 PolarHBondContact O-N 3.38Å; E273-I276 WeakPolarHBondContact O-CB 2.98Å; E273-I276 PolarHBondContact O-N 2.99Å; I276-P280 WeakPolarHBondContact O-CD 3.4Å; I276-P280 VanDerWaalsContact O-CG 3.25Å; I276-P280 WeakPolarHBondContact O-CG 3.45Å |
| 277 | A | 96.9 | Very high | 96.8 | Very high | 52 Ų | 52 | 38.8 Ų | 38.8 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -79.8 | -44.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F245 E273 N274 L275 H281 | F245-A277 HydrophobicContact CE2-CB 4.42Å; F245-A277 HydrophobicContact CZ-CB 4.1Å; E273-A277 PolarHBondContact O-N 3.44Å; N274-A277 PolarHBondContact O-N 2.86Å; L275-A277 PolarHBondContact O-N 3.46Å; A277-H281 WeakPolarHBondContact O-CB 3.22Å; A277-H281 PolarHBondContact O-N 3.4Å |
| 278 | L | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -47.5 | -175.7 | 174 | 62.2 | 0 | 0 | 0 | 113.1 | L60 L193 F245 M247 N274 L275 H281 L282 | L60-L278 HydrophobicContact CD1-CD2 3.9Å; L193-L278 HydrophobicContact CD1-CD1 4.07Å; L193-L278 HydrophobicContact CD1-CD2 3.73Å; L193-L278 HydrophobicContact CD2-CD2 4.24Å; F245-L278 HydrophobicContact CB-CD1 4.07Å; F245-L278 HydrophobicContact CD1-CB 4.33Å; F245-L278 HydrophobicContact CD1-CD1 4.04Å; F245-L278 HydrophobicContact CD2-CB 4.36Å; F245-L278 HydrophobicContact CD2-CD1 3.75Å; F245-L278 HydrophobicContact CE1-CB 3.9Å; F245-L278 HydrophobicContact CE1-CD1 4.45Å; F245-L278 HydrophobicContact CE2-CB 3.9Å; F245-L278 HydrophobicContact CE2-CD1 4.16Å; F245-L278 HydrophobicContact CG-CD1 3.68Å; F245-L278 HydrophobicContact CZ-CB 3.65Å; F245-L278 HydrophobicContact CZ-CD1 4.49Å; M247-L278 HydrophobicContact CE-CD2 4.39Å; M247-L278 HydrophobicContact CG-CD2 4.29Å; M247-L278 HydrophobicContact SD-CB 4.32Å; M247-L278 HydrophobicContact SD-CD2 3.81Å; N274-L278 WeakPolarHBondContact O-CB 3.2Å; N274-L278 PolarHBondContact O-N 3.39Å; L275-L278 PolarHBondContact O-N 3.24Å; L278-H281 WeakPolarHBondContact O-CB 3.42Å; L278-H281 PolarHBondContact O-N 2.99Å; L278-L282 HydrophobicContact CD1-CD1 3.85Å; L278-L282 HydrophobicContact CD1-CG 4.39Å; L278-L282 HydrophobicContact CG-CD1 4.33Å; L278-L282 PolarHBondContact O-N 3.2Å |
| 279 | V | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.4 | -47.7 | -169.9 | -177 | 0 | 0 | 0 | 0 | 112 | F64 Y67 W76 L275 H281 L282 L283 | F64-V279 HydrophobicContact CD1-CB 4.37Å; F64-V279 HydrophobicContact CD1-CG1 3.89Å; F64-V279 HydrophobicContact CD1-CG2 3.78Å; F64-V279 HydrophobicContact CE1-CG1 4.49Å; F64-V279 HydrophobicContact CE1-CG2 3.85Å; Y67-V279 HydrophobicContact CD1-CG1 4.13Å; Y67-V279 HydrophobicContact CD2-CG1 4.06Å; Y67-V279 HydrophobicContact CG-CG1 3.59Å; W76-V279 HydrophobicContact CH2-CB 3.81Å; W76-V279 HydrophobicContact CH2-CG1 4.19Å; W76-V279 HydrophobicContact CH2-CG2 3.5Å; W76-V279 HydrophobicContact CZ2-CB 3.73Å; W76-V279 HydrophobicContact CZ2-CG1 4.33Å; W76-V279 HydrophobicContact CZ2-CG2 3.86Å; W76-V279 HydrophobicContact CZ3-CG1 4.49Å; W76-V279 HydrophobicContact CZ3-CG2 4.36Å; L275-V279 HydrophobicContact CD1-CG2 3.81Å; L275-V279 HydrophobicContact CG-CG2 4.15Å; L275-V279 WeakPolarHBondContact O-CG2 3.36Å; L275-V279 PolarHBondContact O-N 3.44Å; L275-V279 VanDerWaalsContact O-N 3.07Å; V279-H281 VanDerWaalsContact C-N 3.3Å; V279-H281 PolarHBondContact O-N 2.87Å; V279-L282 PolarHBondContact O-N 2.79Å; V279-L283 HydrophobicContact CG1-CD1 3.84Å; V279-L283 WeakPolarHBondContact O-CB 3.5Å; V279-L283 PolarHBondContact O-N 2.85Å |
| 280 | P | 96.1 | Very high | 96.9 | Very high | 35 Ų | 35 | 33.8 Ų | 33.8 | 23% | 0.227 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.5 | -31.8 | 172.3 | -21.9 | 35.3 | 0 | 0 | 0 | 113.4 | Y67 I276 L282 L283 A284 N287 | Y67-P280 HydrophobicContact CD2-CG 4.5Å; Y67-P280 HydrophobicContact CE2-CB 4.38Å; Y67-P280 HydrophobicContact CE2-CG 3.97Å; I276-P280 WeakPolarHBondContact O-CD 3.4Å; I276-P280 VanDerWaalsContact O-CG 3.25Å; I276-P280 WeakPolarHBondContact O-CG 3.45Å; P280-L282 PolarHBondContact O-N 3.42Å; P280-L283 PolarHBondContact O-N 3.44Å; P280-A284 HydrophobicContact CB-CB 4.35Å; P280-A284 WeakPolarHBondContact O-CB 3.41Å; P280-A284 PolarHBondContact O-N 2.88Å; P280-N287 PolarHBondContact O-ND2 3.15Å |
| 281 | H | 96.3 | Very high | 96.9 | Very high | 39 Ų | 39 | 32.1 Ų | 32.1 | 18% | 0.181 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.4 | -32.7 | 174.3 | -176.3 | 74.6 | 0 | 0 | 0 | 112.3 | D243 A277 L278 V279 N287 | D243-H281 IonicContact OD1-NE2 3.47Å; D243-H281 IonicContact OD2-CD2 3.23Å; D243-H281 IonicContact OD2-CE1 2.69Å; D243-H281 PolarHBondContact OD2-CE1 2.86Å; D243-H281 IonicContact OD2-NE2 4Å; D243-H281 PolarHBondContact OD2-NE2 3.48Å; A277-H281 WeakPolarHBondContact O-CB 3.22Å; A277-H281 PolarHBondContact O-N 3.4Å; L278-H281 WeakPolarHBondContact O-CB 3.42Å; L278-H281 PolarHBondContact O-N 2.99Å; V279-H281 VanDerWaalsContact C-N 3.3Å; V279-H281 PolarHBondContact O-N 2.87Å; H281-N287 VanDerWaalsContact O-CB 3.27Å; H281-N287 WeakPolarHBondContact O-CB 3.49Å; H281-N287 PolarHBondContact O-ND2 3.11Å |
| 282 | L | 96.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -91.3 | -35.9 | 176.3 | -75.5 | 169.2 | 0 | 0 | 0 | 114.1 | F64 T150 V152 L191 L278 V279 P280 | F64-L282 HydrophobicContact CE1-CD1 4.19Å; F64-L282 HydrophobicContact CE2-CD1 4.03Å; F64-L282 HydrophobicContact CZ-CD1 3.46Å; F64-L282 VanDerWaalsContact CZ-CD1 3.46Å; T150-L282 HydrophobicContact CG2-CD2 3.81Å; V152-L282 HydrophobicContact CG2-CD1 3.95Å; V152-L282 HydrophobicContact CG2-CD2 4.09Å; L191-L282 HydrophobicContact CD1-CD2 3.9Å; L191-L282 HydrophobicContact CD1-CG 4.38Å; L278-L282 HydrophobicContact CD1-CD1 3.85Å; L278-L282 HydrophobicContact CD1-CG 4.39Å; L278-L282 HydrophobicContact CG-CD1 4.33Å; L278-L282 PolarHBondContact O-N 3.2Å; V279-L282 PolarHBondContact O-N 2.79Å; P280-L282 PolarHBondContact O-N 3.42Å |
| 283 | L | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -121.4 | -3.9 | -163 | -59.2 | 176.6 | 0 | 0 | 0 | 115.4 | V47 F64 Y67 L68 L121 V279 P280 L288 | V47-L283 HydrophobicContact CB-CD2 4.47Å; V47-L283 HydrophobicContact CG2-CD2 3.8Å; F64-L283 HydrophobicContact CB-CD1 3.51Å; F64-L283 HydrophobicContact CD1-CD1 4.13Å; F64-L283 HydrophobicContact CD2-CD1 4.19Å; F64-L283 HydrophobicContact CG-CD1 3.69Å; Y67-L283 HydrophobicContact CD1-CB 3.7Å; Y67-L283 HydrophobicContact CD1-CD1 4.11Å; Y67-L283 HydrophobicContact CE1-CB 3.66Å; L68-L283 HydrophobicContact CD1-CD1 4.39Å; L68-L283 HydrophobicContact CD2-CB 4.39Å; L68-L283 HydrophobicContact CD2-CD1 4.4Å; L68-L283 HydrophobicContact CG-CD1 4.15Å; L121-L283 HydrophobicContact CD2-CD2 4.44Å; V279-L283 HydrophobicContact CG1-CD1 3.84Å; V279-L283 WeakPolarHBondContact O-CB 3.5Å; V279-L283 PolarHBondContact O-N 2.85Å; P280-L283 PolarHBondContact O-N 3.44Å; L283-L288 HydrophobicContact CD2-CD2 4.46Å |
| 284 | A | 95.9 | Very high | 95.8 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 12% | 0.124 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -63.2 | 144.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | P280 V286 N287 L288 | P280-A284 HydrophobicContact CB-CB 4.35Å; P280-A284 WeakPolarHBondContact O-CB 3.41Å; P280-A284 PolarHBondContact O-N 2.88Å; A284-V286 HydrophobicContact CB-CG1 4.37Å; A284-V286 PolarHBondContact O-N 2.89Å; A284-N287 WeakPolarHBondContact O-CA 3.21Å; A284-N287 PolarHBondContact O-N 3.37Å; A284-L288 PolarHBondContact O-N 2.91Å |
| 285 | P | 95.5 | Very high | 95.3 | Very high | 42 Ų | 42 | 35 Ų | 35 | 27% | 0.273 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -36.6 | -176.7 | -31.4 | 34.7 | 0 | 0 | 0 | 115.6 | M109 T110 L111 P112 N287 | M109-P285 HydrophobicContact CE-CG 3.69Å; T110-P285 WeakPolarHBondContact O-CB 3.47Å; L111-P285 WeakPolarHBondContact CD2-O 3.43Å; P112-P285 WeakPolarHBondContact CD-O 3.46Å; P285-N287 VanDerWaalsContact C-N 3.28Å; P285-N287 PolarHBondContact O-N 2.98Å |
| 286 | V | 96 | Very high | 95 | Very high | 105 Ų | 105 | 41.6 Ų | 41.6 | 64% | 0.636 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -22.7 | 178.9 | 66.1 | 0 | 0 | 0 | 0 | 113.7 | P112 A284 | P112-V286 HydrophobicContact CG-CB 3.96Å; P112-V286 HydrophobicContact CG-CG2 4.18Å; A284-V286 HydrophobicContact CB-CG1 4.37Å; A284-V286 PolarHBondContact O-N 2.89Å |
| 287 | N | 96.6 | Very high | 94.9 | Very high | 58 Ų | 58 | 42.2 Ų | 42.2 | 31% | 0.31 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -9.9 | -177.6 | -64.2 | -31.8 | 0 | 0 | 0 | 113 | P280 H281 A284 P285 V289 | P280-N287 PolarHBondContact O-ND2 3.15Å; H281-N287 VanDerWaalsContact O-CB 3.27Å; H281-N287 WeakPolarHBondContact O-CB 3.49Å; H281-N287 PolarHBondContact O-ND2 3.11Å; A284-N287 WeakPolarHBondContact O-CA 3.21Å; A284-N287 PolarHBondContact O-N 3.37Å; P285-N287 VanDerWaalsContact C-N 3.28Å; P285-N287 PolarHBondContact O-N 2.98Å; N287-V289 PolarHBondContact O-N 3.46Å |
| 288 | L | 97.5 | Very high | 94.9 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | trans | -67.2 | 125.9 | 179.3 | -65.7 | 179.2 | 0 | 0 | 0 | 110.5 | V45 M109 L111 V117 V119 L283 A284 | V45-L288 HydrophobicContact CG1-CB 4.29Å; V45-L288 HydrophobicContact CG1-CD2 4.04Å; V45-L288 HydrophobicContact CG2-CB 4.18Å; M109-L288 HydrophobicContact CB-CD1 3.77Å; M109-L288 HydrophobicContact CG-CD1 4.04Å; L111-L288 HydrophobicContact CD2-CB 3.85Å; L111-L288 HydrophobicContact CD2-CD1 4.25Å; V117-L288 HydrophobicContact CG2-CD1 4.48Å; V119-L288 HydrophobicContact CG2-CD1 3.69Å; V119-L288 HydrophobicContact CG2-CD2 4.17Å; L283-L288 HydrophobicContact CD2-CD2 4.46Å; A284-L288 PolarHBondContact O-N 2.91Å | ||
| 289 | V | 97 | Very high | 94.9 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | trans | -102.4 | 113.9 | 178.6 | -178 | 0 | 0 | 0 | 0 | 108.8 | V45 S149 Q188 H189 N287 | V45-V289 WeakPolarHBondContact CG1-O 3.42Å; S149-V289 WeakPolarHBondContact CB-O 3.4Å; S149-V289 PolarHBondContact OG-O 3.44Å; Q188-V289 HydrophobicContact CB-CG1 4.29Å; Q188-V289 VanDerWaalsContact NE2-CG1 3.33Å; H189-V289 HydrophobicContact CB-CG2 4.49Å; N287-V289 PolarHBondContact O-N 3.46Å | ||
| 290 | V | 97.8 | Very high | 94.9 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 9% | 0.085 | 24% | 0.239 | C | C | . | . | trans | -63.6 | 134.8 | 174.1 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | K43 V45 L111 V117 Q188 N292 E297 | K43-V290 HydrophobicContact CB-CG1 3.86Å; K43-V290 HydrophobicContact CD-CG1 4.06Å; K43-V290 HydrophobicContact CG-CG1 4.44Å; V45-V290 HydrophobicContact CG2-CG2 4.35Å; L111-V290 HydrophobicContact CD1-CG2 3.76Å; V117-V290 HydrophobicContact CG1-CG2 4.11Å; Q188-V290 PolarHBondContact NE2-O 3.33Å; V290-N292 PolarHBondContact O-N 3.16Å; V290-E297 HydrophobicContact CG1-CB 3.95Å; V290-E297 HydrophobicContact CG1-CG 4Å | ||
| 291 | K | 97.8 | Very high | 95 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.009 | 25% | 0.247 | C | C | . | . | trans | -60.9 | 125.9 | 178.6 | -178.7 | 55 | 174.9 | 171.4 | 0 | 109.9 | V44 M146 V147 S148 I293 E297 V298 | V44-K291 HydrophobicContact CG1-CB 3.92Å; V44-K291 WeakPolarHBondContact O-CB 3.45Å; V44-K291 PolarHBondContact O-N 2.88Å; M146-K291 WeakPolarHBondContact O-CE 3.44Å; M146-K291 PolarHBondContact O-NZ 3.27Å; V147-K291 WeakPolarHBondContact O-CE 3.5Å; S148-K291 WeakPolarHBondContact O-CD 3.38Å; S148-K291 WeakPolarHBondContact O-CE 3.43Å; S148-K291 PolarHBondContact O-NZ 3.27Å; K291-I293 HydrophobicContact CD-CG1 4.46Å; K291-E297 CarbonylContact O-C 3.55Å; K291-E297 WeakPolarHBondContact O-CA 3.3Å; K291-V298 HydrophobicContact CB-CB 4.25Å; K291-V298 HydrophobicContact CG-CB 4.07Å; K291-V298 HydrophobicContact CG-CG2 4.15Å; K291-V298 PolarHBondContact O-N 3.26Å | ||
| 292 | N | 94.2 | Very high | 95 | Very high | 47 Ų | 47 | 46.6 Ų | 46.6 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133.8 | 176.6 | -169 | -69.5 | 0 | 0 | 0 | 109.6 | V290 G295 Q296 | V290-N292 PolarHBondContact O-N 3.16Å; N292-G295 PolarHBondContact ND2-O 3.44Å; N292-G295 VanDerWaalsContact ND2-O 3.15Å; N292-G295 WeakPolarHBondContact OD1-CA 3.35Å; N292-G295 PolarHBondContact OD1-N 3.47Å; N292-Q296 CarbonylContact C-O 3.57Å; N292-Q296 VanDerWaalsContact CA-O 3.23Å; N292-Q296 WeakPolarHBondContact CA-O 3.32Å; N292-Q296 PolarHBondContact OD1-N 3.06Å |
| 293 | I | 89.9 | Confident | 95 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 125.4 | 173.6 | -62.1 | 174.7 | 0 | 0 | 0 | 107 | K291 G295 Q296 V298 Y306 | K291-I293 HydrophobicContact CD-CG1 4.46Å; I293-G295 PolarHBondContact O-N 3.36Å; I293-Q296 PolarHBondContact N-O 3.43Å; I293-Q296 PolarHBondContact O-N 2.92Å; I293-V298 HydrophobicContact CB-CG2 4.01Å; I293-V298 HydrophobicContact CD1-CG2 3.96Å; I293-V298 HydrophobicContact CG1-CG2 3.86Å; I293-Y306 HydrophobicContact CB-CE1 4.43Å; I293-Y306 HydrophobicContact CD1-CD1 3.79Å; I293-Y306 HydrophobicContact CD1-CD2 3.62Å; I293-Y306 HydrophobicContact CD1-CE1 3.83Å; I293-Y306 HydrophobicContact CD1-CE2 3.66Å; I293-Y306 HydrophobicContact CD1-CG 3.69Å; I293-Y306 HydrophobicContact CG2-CE1 3.82Å |
| 294 | N | 84.1 | Confident | 95 | Very high | 110 Ų | 110 | 47.7 Ų | 47.7 | 59% | 0.588 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 38.3 | -178.9 | -65.3 | -9.9 | 0 | 0 | 0 | 114.2 | I182 Q296 | I182-N294 VanDerWaalsContact CD1-OD1 3.28Å; I182-N294 WeakPolarHBondContact CD1-OD1 3.36Å; I182-N294 WeakPolarHBondContact CG1-OD1 3.45Å; N294-Q296 VanDerWaalsContact C-N 3.26Å; N294-Q296 PolarHBondContact O-N 3.2Å |
| 295 | G | 85.6 | Confident | 94.9 | Very high | 63 Ų | 63 | 51.1 Ų | 51.1 | 65% | 0.649 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | -6.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N292 I293 | N292-G295 PolarHBondContact ND2-O 3.44Å; N292-G295 VanDerWaalsContact ND2-O 3.15Å; N292-G295 WeakPolarHBondContact OD1-CA 3.35Å; N292-G295 PolarHBondContact OD1-N 3.47Å; I293-G295 PolarHBondContact O-N 3.36Å |
| 296 | Q | 90.9 | Very high | 94.8 | Very high | 140 Ų | 140 | 52.2 Ų | 52.2 | 65% | 0.654 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 135.6 | 180 | -62.1 | -173.4 | -2.6 | 0 | 0 | 111.4 | N292 I293 N294 | N292-Q296 CarbonylContact C-O 3.57Å; N292-Q296 VanDerWaalsContact CA-O 3.23Å; N292-Q296 WeakPolarHBondContact CA-O 3.32Å; N292-Q296 PolarHBondContact OD1-N 3.06Å; I293-Q296 PolarHBondContact N-O 3.43Å; I293-Q296 PolarHBondContact O-N 2.92Å; N294-Q296 VanDerWaalsContact C-N 3.26Å; N294-Q296 PolarHBondContact O-N 3.2Å |
| 297 | E | 95.6 | Very high | 94.7 | Very high | 92 Ų | 92 | 47.3 Ų | 47.3 | 43% | 0.43 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 138.4 | 172.6 | -66.4 | 177.1 | 133.6 | 0 | 0 | 110.4 | K43 V290 K291 | K43-E297 HydrophobicContact CD-CB 4.03Å; K43-E297 WeakPolarHBondContact CE-OE2 3.34Å; K43-E297 IonicContact NZ-OE2 2.61Å; K43-E297 PolarHBondContact NZ-OE2 3.13Å; V290-E297 HydrophobicContact CG1-CB 3.95Å; V290-E297 HydrophobicContact CG1-CG 4Å; K291-E297 CarbonylContact O-C 3.55Å; K291-E297 WeakPolarHBondContact O-CA 3.3Å |
| 298 | V | 96.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | trans | -104 | 133.4 | -167.9 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | K43 V44 K291 I293 E302 L303 Y306 | K43-V298 WeakPolarHBondContact CA-O 3.46Å; V44-V298 HydrophobicContact CG1-CG1 4.43Å; V44-V298 WeakPolarHBondContact CG1-O 3.46Å; V44-V298 PolarHBondContact N-O 3.14Å; K291-V298 HydrophobicContact CB-CB 4.25Å; K291-V298 HydrophobicContact CG-CB 4.07Å; K291-V298 HydrophobicContact CG-CG2 4.15Å; K291-V298 PolarHBondContact O-N 3.26Å; I293-V298 HydrophobicContact CB-CG2 4.01Å; I293-V298 HydrophobicContact CD1-CG2 3.96Å; I293-V298 HydrophobicContact CG1-CG2 3.86Å; V298-E302 HydrophobicContact CG1-CB 3.8Å; V298-L303 HydrophobicContact CG1-CB 4.01Å; V298-L303 HydrophobicContact CG1-CD1 4.5Å; V298-Y306 HydrophobicContact CG1-CD2 4.01Å; V298-Y306 HydrophobicContact CG1-CE2 4.03Å; V298-Y306 HydrophobicContact CG2-CE2 4.06Å | ||
| 299 | T | 98.1 | Very high | 94.2 | Very high | 29 Ų | 29 | 49.6 Ų | 49.6 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -85.2 | 164.1 | 170.3 | 61.6 | 0 | 0 | 0 | 0 | 112.1 | K42 R301 E302 L303 | K42-T299 CarbonylContact O-C 3.56Å; K42-T299 VanDerWaalsContact O-CA 3.26Å; K42-T299 WeakPolarHBondContact O-CA 3.46Å; T299-R301 VanDerWaalsContact C-N 3.27Å; T299-R301 PolarHBondContact O-N 3.47Å; T299-E302 WeakPolarHBondContact CB-OE2 3.28Å; T299-E302 PolarHBondContact N-OE2 2.72Å; T299-E302 PolarHBondContact O-N 3.32Å; T299-E302 VanDerWaalsContact OG1-CG 3.31Å; T299-E302 WeakPolarHBondContact OG1-CG 3.45Å; T299-E302 PolarHBondContact OG1-N 3.19Å; T299-E302 PolarHBondContact OG1-OE2 2.97Å; T299-L303 WeakPolarHBondContact O-CB 3.41Å; T299-L303 PolarHBondContact O-N 3.24Å |
| 300 | C | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.7 | -38.8 | 176.3 | -64.6 | 0 | 0 | 0 | 0 | 112.5 | L34 V39 K42 L303 F304 | L34-C300 HydrophobicContact CB-CB 4.42Å; L34-C300 HydrophobicContact CD2-CB 4.18Å; L34-C300 WeakPolarHBondContact O-CB 3.34Å; V39-C300 HydrophobicContact CG1-CB 3.79Å; V39-C300 WeakPolarHBondContact CG1-SG 3.36Å; K42-C300 PolarHBondContact O-N 3.37Å; C300-L303 PolarHBondContact O-N 3.44Å; C300-F304 PolarHBondContact O-N 3.04Å; C300-F304 VanDerWaalsContact O-N 3.07Å |
| 301 | R | 97.7 | Very high | 93.4 | Very high | 105 Ų | 105 | 48 Ų | 48 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 175.2 | -176.8 | -171 | -58.4 | -176.2 | 3.2 | 112.7 | L35 R40 D41 T299 F304 T305 | L35-R301 HydrophobicContact CD2-CB 4.12Å; L35-R301 HydrophobicContact CD2-CG 3.96Å; R40-R301 HydrophobicContact CB-CB 4.43Å; R40-R301 VanDerWaalsContact NE-NH2 3.19Å; R40-R301 VanDerWaalsContact O-CB 3.25Å; R40-R301 WeakPolarHBondContact O-CB 3.37Å; R40-R301 PolarHBondContact O-N 3.48Å; D41-R301 IonicContact OD1-CZ 3.65Å; D41-R301 VanDerWaalsContact OD1-CZ 3.23Å; D41-R301 IonicContact OD1-NE 2.91Å; D41-R301 IonicContact OD1-NH1 3.62Å; D41-R301 IonicContact OD1-NH2 2.64Å; D41-R301 PolarHBondContact OD1-NH2 3.18Å; D41-R301 IonicContact OD2-NH2 2.82Å; D41-R301 PolarHBondContact OD2-NH2 2.86Å; T299-R301 VanDerWaalsContact C-N 3.27Å; T299-R301 PolarHBondContact O-N 3.47Å; R301-F304 WeakPolarHBondContact O-CB 3.38Å; R301-F304 PolarHBondContact O-N 2.84Å; R301-T305 PolarHBondContact O-N 3.28Å; R301-T305 PolarHBondContact O-OG1 3.14Å |
| 302 | E | 97 | Very high | 93 | Very high | 82 Ų | 82 | 55 Ų | 55 | 38% | 0.383 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69 | -40.6 | 177.1 | -72 | 159.4 | 158.2 | 0 | 0 | 110.6 | V298 T299 F304 T305 Y306 | V298-E302 HydrophobicContact CG1-CB 3.8Å; T299-E302 WeakPolarHBondContact CB-OE2 3.28Å; T299-E302 PolarHBondContact N-OE2 2.72Å; T299-E302 PolarHBondContact O-N 3.32Å; T299-E302 VanDerWaalsContact OG1-CG 3.31Å; T299-E302 WeakPolarHBondContact OG1-CG 3.45Å; T299-E302 PolarHBondContact OG1-N 3.19Å; T299-E302 PolarHBondContact OG1-OE2 2.97Å; E302-F304 VanDerWaalsContact C-N 3.28Å; E302-F304 PolarHBondContact O-N 2.75Å; E302-T305 CarbonylContact O-C 3.54Å; E302-T305 WeakPolarHBondContact O-CA 3.47Å; E302-T305 VanDerWaalsContact O-CB 3.29Å; E302-T305 WeakPolarHBondContact O-CB 3.39Å; E302-T305 PolarHBondContact O-N 2.82Å; E302-Y306 HydrophobicContact CB-CD2 4.44Å; E302-Y306 HydrophobicContact CB-CE2 4.24Å; E302-Y306 WeakPolarHBondContact O-CD2 3.3Å; E302-Y306 PolarHBondContact O-N 2.92Å |
| 303 | L | 96.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.1 | -40.8 | 175.5 | -171.1 | 69.4 | 0 | 0 | 0 | 111.9 | L34 V44 V46 L120 V147 V298 T299 C300 T305 Y306 F307 | L34-L303 HydrophobicContact CD1-CB 4.35Å; L34-L303 HydrophobicContact CD1-CD2 4.26Å; L34-L303 HydrophobicContact CD1-CG 4.35Å; L34-L303 HydrophobicContact CD2-CD2 4.41Å; V44-L303 HydrophobicContact CG1-CB 4.23Å; V44-L303 HydrophobicContact CG1-CD2 3.88Å; V44-L303 HydrophobicContact CG1-CG 4.46Å; V44-L303 HydrophobicContact CG2-CD2 4.02Å; V46-L303 HydrophobicContact CG2-CD2 3.69Å; L120-L303 HydrophobicContact CD1-CD2 4.23Å; V147-L303 HydrophobicContact CB-CD1 4.26Å; V298-L303 HydrophobicContact CG1-CB 4.01Å; V298-L303 HydrophobicContact CG1-CD1 4.5Å; T299-L303 WeakPolarHBondContact O-CB 3.41Å; T299-L303 PolarHBondContact O-N 3.24Å; C300-L303 PolarHBondContact O-N 3.44Å; L303-T305 VanDerWaalsContact C-N 3.28Å; L303-T305 PolarHBondContact O-N 3.17Å; L303-Y306 PolarHBondContact O-N 3.27Å; L303-F307 HydrophobicContact CD1-CE2 4.43Å; L303-F307 HydrophobicContact CD2-CE2 4.18Å; L303-F307 HydrophobicContact CG-CD2 4.06Å; L303-F307 HydrophobicContact CG-CE2 4.02Å; L303-F307 WeakPolarHBondContact O-CD2 3.29Å; L303-F307 PolarHBondContact O-N 3.16Å |
| 304 | F | 96.8 | Very high | 92.4 | Very high | 26 Ų | 26 | 54.2 Ų | 54.2 | 11% | 0.114 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.1 | -43.7 | 172 | 174.1 | -96.1 | 0 | 0 | 0 | 111.9 | L30 L34 L35 C300 R301 E302 F307 K308 | L30-F304 HydrophobicContact CB-CD2 4.25Å; L30-F304 HydrophobicContact CB-CE2 4.28Å; L30-F304 HydrophobicContact CD2-CD2 3.77Å; L30-F304 HydrophobicContact CD2-CE2 4.3Å; L30-F304 HydrophobicContact CG-CD2 3.81Å; L30-F304 HydrophobicContact CG-CE2 4.33Å; L34-F304 HydrophobicContact CB-CB 4.22Å; L34-F304 HydrophobicContact CD1-CB 3.92Å; L35-F304 HydrophobicContact CD1-CD1 4.14Å; L35-F304 HydrophobicContact CD1-CE1 4.13Å; L35-F304 HydrophobicContact CD1-CG 4.34Å; L35-F304 HydrophobicContact CD1-CZ 4.34Å; L35-F304 HydrophobicContact CD2-CB 4.15Å; L35-F304 HydrophobicContact CD2-CD1 4.38Å; L35-F304 HydrophobicContact CD2-CG 4.23Å; L35-F304 HydrophobicContact CG-CG 4.33Å; C300-F304 PolarHBondContact O-N 3.04Å; C300-F304 VanDerWaalsContact O-N 3.07Å; R301-F304 WeakPolarHBondContact O-CB 3.38Å; R301-F304 PolarHBondContact O-N 2.84Å; E302-F304 VanDerWaalsContact C-N 3.28Å; E302-F304 PolarHBondContact O-N 2.75Å; F304-F307 PolarHBondContact O-N 3.37Å; F304-K308 HydrophobicContact CD1-CD 4.16Å; F304-K308 HydrophobicContact CE1-CD 3.48Å; F304-K308 VanDerWaalsContact CE1-CD 3.48Å; F304-K308 HydrophobicContact CE1-CG 4.42Å; F304-K308 HydrophobicContact CE2-CD 4.46Å; F304-K308 HydrophobicContact CZ-CD 3.65Å; F304-K308 HydrophobicContact CZ-CG 4.43Å; F304-K308 PolarHBondContact O-N 3.4Å |
| 305 | T | 94.6 | Very high | 92.3 | Very high | 87 Ų | 87 | 53.7 Ų | 53.7 | 53% | 0.534 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 177.6 | -51.8 | 0 | 0 | 0 | 0 | 111.5 | R301 E302 L303 K308 A309 | R301-T305 PolarHBondContact O-N 3.28Å; R301-T305 PolarHBondContact O-OG1 3.14Å; E302-T305 CarbonylContact O-C 3.54Å; E302-T305 WeakPolarHBondContact O-CA 3.47Å; E302-T305 VanDerWaalsContact O-CB 3.29Å; E302-T305 WeakPolarHBondContact O-CB 3.39Å; E302-T305 PolarHBondContact O-N 2.82Å; L303-T305 VanDerWaalsContact C-N 3.28Å; L303-T305 PolarHBondContact O-N 3.17Å; T305-K308 PolarHBondContact O-N 3.08Å; T305-A309 PolarHBondContact O-N 2.86Å |
| 306 | Y | 93 | Very high | 92 | Very high | 65 Ų | 65 | 52.5 Ų | 52.5 | 26% | 0.255 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 175.3 | -76.3 | -68.1 | 0 | 0 | 0 | 112.5 | I293 V298 E302 L303 K308 A309 Y310 | I293-Y306 HydrophobicContact CB-CE1 4.43Å; I293-Y306 HydrophobicContact CD1-CD1 3.79Å; I293-Y306 HydrophobicContact CD1-CD2 3.62Å; I293-Y306 HydrophobicContact CD1-CE1 3.83Å; I293-Y306 HydrophobicContact CD1-CE2 3.66Å; I293-Y306 HydrophobicContact CD1-CG 3.69Å; I293-Y306 HydrophobicContact CG2-CE1 3.82Å; V298-Y306 HydrophobicContact CG1-CD2 4.01Å; V298-Y306 HydrophobicContact CG1-CE2 4.03Å; V298-Y306 HydrophobicContact CG2-CE2 4.06Å; E302-Y306 HydrophobicContact CB-CD2 4.44Å; E302-Y306 HydrophobicContact CB-CE2 4.24Å; E302-Y306 WeakPolarHBondContact O-CD2 3.3Å; E302-Y306 PolarHBondContact O-N 2.92Å; L303-Y306 PolarHBondContact O-N 3.27Å; Y306-K308 VanDerWaalsContact C-N 3.31Å; Y306-K308 PolarHBondContact O-N 3.19Å; Y306-A309 PolarHBondContact O-N 3.47Å; Y306-Y310 HydrophobicContact CD1-CE1 4.31Å; Y306-Y310 HydrophobicContact CD1-CE2 4.21Å; Y306-Y310 AromaticContact CD1-CZ 3.75Å; Y306-Y310 WeakPolarHBondContact CD1-OH 3.4Å; Y306-Y310 HydrophobicContact CG-CE2 4.41Å; Y306-Y310 WeakPolarHBondContact O-CB 3.36Å; Y306-Y310 VanDerWaalsContact O-CD2 3.26Å; Y306-Y310 WeakPolarHBondContact O-CD2 3.43Å; Y306-Y310 VanDerWaalsContact O-CG 3.23Å; Y306-Y310 PolarHBondContact O-N 2.86Å |
| 307 | F | 92.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54.4 | -47.7 | 173.8 | -94.8 | -76.9 | 0 | 0 | 0 | 111.6 | I12 L25 L30 L34 M122 V147 L303 F304 Y310 I311 | I12-F307 HydrophobicContact CD1-CD1 4.27Å; I12-F307 HydrophobicContact CD1-CE1 4.18Å; L25-F307 HydrophobicContact CD1-CB 4.44Å; L25-F307 HydrophobicContact CD1-CD1 4.36Å; L25-F307 HydrophobicContact CD2-CB 4.28Å; L30-F307 HydrophobicContact CD1-CD2 4.49Å; L30-F307 HydrophobicContact CD2-CB 3.59Å; L30-F307 HydrophobicContact CD2-CD1 4.4Å; L30-F307 HydrophobicContact CD2-CD2 3.85Å; L30-F307 HydrophobicContact CD2-CG 3.71Å; L34-F307 HydrophobicContact CD1-CD2 4.47Å; M122-F307 HydrophobicContact SD-CZ 4.4Å; V147-F307 HydrophobicContact CB-CE1 4.3Å; V147-F307 HydrophobicContact CB-CE2 3.95Å; V147-F307 HydrophobicContact CB-CZ 3.79Å; V147-F307 HydrophobicContact CG1-CD1 4.04Å; V147-F307 HydrophobicContact CG1-CD2 4.15Å; V147-F307 HydrophobicContact CG1-CE1 3.83Å; V147-F307 HydrophobicContact CG1-CE2 3.94Å; V147-F307 HydrophobicContact CG1-CG 4.2Å; V147-F307 HydrophobicContact CG1-CZ 3.78Å; V147-F307 HydrophobicContact CG2-CE1 4.05Å; V147-F307 HydrophobicContact CG2-CE2 4.19Å; V147-F307 HydrophobicContact CG2-CZ 3.57Å; L303-F307 HydrophobicContact CD1-CE2 4.43Å; L303-F307 HydrophobicContact CD2-CE2 4.18Å; L303-F307 HydrophobicContact CG-CD2 4.06Å; L303-F307 HydrophobicContact CG-CE2 4.02Å; L303-F307 WeakPolarHBondContact O-CD2 3.29Å; L303-F307 PolarHBondContact O-N 3.16Å; F304-F307 PolarHBondContact O-N 3.37Å; F307-Y310 PolarHBondContact O-N 3.09Å; F307-I311 WeakPolarHBondContact O-CB 3.46Å; F307-I311 WeakPolarHBondContact O-CG2 3.25Å; F307-I311 PolarHBondContact O-N 3.31Å |
| 308 | K | 92.9 | Very high | 90.2 | Very high | 75 Ų | 75 | 53 Ų | 53 | 33% | 0.326 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 177.2 | -72.3 | -174.9 | 60.3 | 149.3 | 0 | 113.1 | L25 E27 F304 T305 Y306 I311 K312 | L25-K308 HydrophobicContact CD2-CB 4.35Å; L25-K308 HydrophobicContact CD2-CG 3.6Å; E27-K308 HydrophobicContact CG-CD 4.42Å; E27-K308 HydrophobicContact CG-CG 4.45Å; E27-K308 WeakPolarHBondContact OE1-CE 3.43Å; E27-K308 IonicContact OE1-NZ 3.89Å; E27-K308 PolarHBondContact OE1-NZ 2.61Å; E27-K308 WeakPolarHBondContact OE2-CE 3.38Å; E27-K308 IonicContact OE2-NZ 3.79Å; E27-K308 PolarHBondContact OE2-NZ 2.86Å; F304-K308 HydrophobicContact CD1-CD 4.16Å; F304-K308 HydrophobicContact CE1-CD 3.48Å; F304-K308 VanDerWaalsContact CE1-CD 3.48Å; F304-K308 HydrophobicContact CE1-CG 4.42Å; F304-K308 HydrophobicContact CE2-CD 4.46Å; F304-K308 HydrophobicContact CZ-CD 3.65Å; F304-K308 HydrophobicContact CZ-CG 4.43Å; F304-K308 PolarHBondContact O-N 3.4Å; T305-K308 PolarHBondContact O-N 3.08Å; Y306-K308 VanDerWaalsContact C-N 3.31Å; Y306-K308 PolarHBondContact O-N 3.19Å; K308-I311 WeakPolarHBondContact O-CG2 3.49Å; K308-K312 WeakPolarHBondContact O-CB 3.22Å; K308-K312 PolarHBondContact O-N 3.3Å |
| 309 | A | 90.8 | Very high | 89.5 | Confident | 46 Ų | 46 | 54.1 Ų | 54.1 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.9 | -48.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T305 Y306 K312 I313 | T305-A309 PolarHBondContact O-N 2.86Å; Y306-A309 PolarHBondContact O-N 3.47Å; A309-K312 PolarHBondContact O-N 3.5Å; A309-I313 WeakPolarHBondContact O-CG1 3.48Å; A309-I313 PolarHBondContact O-N 3.08Å |
| 310 | Y | 91 | Very high | 88.7 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.5 | -41.1 | -177.2 | -61.5 | -30.4 | 0 | 0 | 0 | 113 | M146 V147 L178 Y306 F307 K312 I313 Y314 | M146-Y310 HydrophobicContact CB-CD2 4.08Å; M146-Y310 HydrophobicContact CB-CE2 3.86Å; M146-Y310 HydrophobicContact CE-CD1 4.19Å; M146-Y310 HydrophobicContact CE-CD2 4.07Å; M146-Y310 HydrophobicContact CE-CG 3.81Å; M146-Y310 HydrophobicContact SD-CD1 4.26Å; M146-Y310 HydrophobicContact SD-CD2 4.49Å; M146-Y310 HydrophobicContact SD-CE1 4.33Å; M146-Y310 HydrophobicContact SD-CG 4.36Å; V147-Y310 HydrophobicContact CG1-CD2 4.01Å; V147-Y310 HydrophobicContact CG1-CE2 4.3Å; L178-Y310 HydrophobicContact CD2-CE1 3.51Å; L178-Y310 VanDerWaalsContact CD2-OH 3.23Å; L178-Y310 WeakPolarHBondContact CD2-OH 3.25Å; Y306-Y310 HydrophobicContact CD1-CE1 4.31Å; Y306-Y310 HydrophobicContact CD1-CE2 4.21Å; Y306-Y310 AromaticContact CD1-CZ 3.75Å; Y306-Y310 WeakPolarHBondContact CD1-OH 3.4Å; Y306-Y310 HydrophobicContact CG-CE2 4.41Å; Y306-Y310 WeakPolarHBondContact O-CB 3.36Å; Y306-Y310 VanDerWaalsContact O-CD2 3.26Å; Y306-Y310 WeakPolarHBondContact O-CD2 3.43Å; Y306-Y310 VanDerWaalsContact O-CG 3.23Å; Y306-Y310 PolarHBondContact O-N 2.86Å; F307-Y310 PolarHBondContact O-N 3.09Å; Y310-K312 VanDerWaalsContact C-N 3.3Å; Y310-K312 PolarHBondContact O-N 3.04Å; Y310-I313 PolarHBondContact O-N 3.49Å; Y310-Y314 WeakPolarHBondContact O-CD2 3.45Å; Y310-Y314 PolarHBondContact O-N 3.33Å |
| 311 | I | 88.5 | Confident | 87.8 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 178.6 | -161.2 | 65.1 | 0 | 0 | 0 | 111.4 | I12 F23 L25 L143 F307 K308 I313 Y314 E315 | I12-I311 HydrophobicContact CD1-CD1 4.36Å; I12-I311 HydrophobicContact CG2-CD1 4.07Å; F23-I311 HydrophobicContact CB-CD1 3.54Å; F23-I311 HydrophobicContact CB-CG1 4.47Å; L25-I311 HydrophobicContact CB-CB 4.4Å; L25-I311 HydrophobicContact CB-CG1 4.18Å; L25-I311 HydrophobicContact CB-CG2 3.93Å; L25-I311 HydrophobicContact CD2-CG2 4.11Å; L143-I311 HydrophobicContact CD1-CD1 3.91Å; F307-I311 WeakPolarHBondContact O-CB 3.46Å; F307-I311 WeakPolarHBondContact O-CG2 3.25Å; F307-I311 PolarHBondContact O-N 3.31Å; K308-I311 WeakPolarHBondContact O-CG2 3.49Å; I311-I313 VanDerWaalsContact C-N 3.26Å; I311-I313 PolarHBondContact O-N 3.21Å; I311-Y314 PolarHBondContact O-N 2.9Å; I311-Y314 VanDerWaalsContact O-N 3.08Å; I311-E315 WeakPolarHBondContact O-CG 3.44Å; I311-E315 PolarHBondContact O-N 3.37Å |
| 312 | K | 87.9 | Confident | 87 | Confident | 150 Ų | 150 | 56.9 Ų | 56.9 | 65% | 0.652 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.1 | -33.8 | 178.4 | -173.5 | 178.6 | -179.8 | -178 | 0 | 112.4 | K308 A309 Y310 S316 | K308-K312 WeakPolarHBondContact O-CB 3.22Å; K308-K312 PolarHBondContact O-N 3.3Å; A309-K312 PolarHBondContact O-N 3.5Å; Y310-K312 VanDerWaalsContact C-N 3.3Å; Y310-K312 PolarHBondContact O-N 3.04Å; K312-S316 PolarHBondContact O-N 3.15Å |
| 313 | I | 86.4 | Confident | 86.2 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 21% | 0.21 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 174.9 | -64.3 | 169.8 | 0 | 0 | 0 | 110 | A177 A309 Y310 I311 S316 L319 | A177-I313 HydrophobicContact CB-CG2 4.11Å; A177-I313 WeakPolarHBondContact O-CD1 3.41Å; A309-I313 WeakPolarHBondContact O-CG1 3.48Å; A309-I313 PolarHBondContact O-N 3.08Å; Y310-I313 PolarHBondContact O-N 3.49Å; I311-I313 VanDerWaalsContact C-N 3.26Å; I311-I313 PolarHBondContact O-N 3.21Å; I313-S316 WeakPolarHBondContact O-CB 3.39Å; I313-S316 PolarHBondContact O-N 3.4Å; I313-S316 VanDerWaalsContact O-N 3.16Å; I313-S316 PolarHBondContact O-OG 3.14Å; I313-L319 HydrophobicContact CG2-CD1 3.61Å; I313-L319 HydrophobicContact CG2-CD2 4.37Å; I313-L319 HydrophobicContact CG2-CG 3.83Å |
| 314 | Y | 85.1 | Confident | 85.5 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -75.2 | -23.8 | -179.9 | -68.3 | -61.6 | 0 | 0 | 0 | 114.9 | R135 T139 A142 L143 M146 Y173 A177 Y310 I311 S316 L319 | R135-Y314 PolarHBondContact NH2-O 3.35Å; T139-Y314 HydrophobicContact CG2-CD1 4.09Å; T139-Y314 HydrophobicContact CG2-CD2 3.99Å; T139-Y314 HydrophobicContact CG2-CG 3.74Å; A142-Y314 VanDerWaalsContact CB-OH 3.31Å; A142-Y314 WeakPolarHBondContact CB-OH 3.4Å; L143-Y314 HydrophobicContact CD1-CD2 4.04Å; L143-Y314 HydrophobicContact CD1-CE2 4.38Å; L143-Y314 HydrophobicContact CD2-CD2 3.63Å; L143-Y314 HydrophobicContact CD2-CE2 3.54Å; L143-Y314 HydrophobicContact CG-CD2 3.7Å; L143-Y314 HydrophobicContact CG-CE2 3.56Å; M146-Y314 HydrophobicContact CE-CE2 3.41Å; M146-Y314 VanDerWaalsContact CE-CE2 3.41Å; M146-Y314 WeakPolarHBondContact CE-OH 3.4Å; Y173-Y314 HydrophobicContact CD1-CD1 4.43Å; Y173-Y314 AromaticContact CD1-CE1 3.64Å; Y173-Y314 HydrophobicContact CD1-CE1 3.64Å; Y173-Y314 AromaticContact CE1-CD1 3.54Å; Y173-Y314 HydrophobicContact CE1-CD1 3.54Å; Y173-Y314 AromaticContact CE1-CE1 3.17Å; Y173-Y314 HydrophobicContact CE1-CE1 3.17Å; Y173-Y314 HydrophobicContact CE2-CE1 4.27Å; Y173-Y314 HydrophobicContact CG-CE1 4.37Å; Y173-Y314 AromaticContact CZ-CD1 3.66Å; Y173-Y314 AromaticContact CZ-CE1 3.53Å; Y173-Y314 PolarHBondContact O-OH 3.07Å; Y173-Y314 WeakPolarHBondContact OH-CD1 3.25Å; A177-Y314 HydrophobicContact CB-CE1 4.44Å; Y310-Y314 WeakPolarHBondContact O-CD2 3.45Å; Y310-Y314 PolarHBondContact O-N 3.33Å; I311-Y314 PolarHBondContact O-N 2.9Å; I311-Y314 VanDerWaalsContact O-N 3.08Å; Y314-S316 VanDerWaalsContact C-N 3.28Å; Y314-L319 HydrophobicContact CD1-CD1 3.62Å; Y314-L319 HydrophobicContact CE1-CD1 3.39Å |
| 315 | E | 83.1 | Confident | 84.8 | Confident | 100 Ų | 100 | 64.2 Ų | 64.2 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.6 | -26.5 | 168 | -74.2 | 175.1 | -177.4 | 0 | 0 | 111.9 | F23 I311 | F23-E315 WeakPolarHBondContact O-CG 3.38Å; I311-E315 WeakPolarHBondContact O-CG 3.44Å; I311-E315 PolarHBondContact O-N 3.37Å |
| 316 | S | 78.5 | Confident | 84.3 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -81.5 | 152.1 | 178 | 80.7 | 0 | 0 | 0 | 0 | 112.5 | K312 I313 Y314 T318 | K312-S316 PolarHBondContact O-N 3.15Å; I313-S316 WeakPolarHBondContact O-CB 3.39Å; I313-S316 PolarHBondContact O-N 3.4Å; I313-S316 VanDerWaalsContact O-N 3.16Å; I313-S316 PolarHBondContact O-OG 3.14Å; Y314-S316 VanDerWaalsContact C-N 3.28Å; S316-T318 PolarHBondContact O-N 3.31Å; S316-T318 VanDerWaalsContact O-N 3.15Å; S316-T318 WeakPolarHBondContact OG-CB 3.48Å; S316-T318 WeakPolarHBondContact OG-CG2 3.45Å; S316-T318 PolarHBondContact OG-N 3.04Å; S316-T318 PolarHBondContact OG-OG1 2.72Å |
| 317 | D | 72.1 | Confident | 83.9 | Confident | 135 Ų | 135 | 66.2 Ų | 66.2 | 72% | 0.722 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 23.5 | 173.6 | -66.3 | -35.7 | 0 | 0 | 0 | 112.5 | ||
| 318 | T | 77.8 | Confident | 83.6 | Confident | 108 Ų | 108 | 68.2 Ų | 68.2 | 66% | 0.663 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -32 | -176.7 | 60 | 0 | 0 | 0 | 0 | 113.1 | S316 | S316-T318 PolarHBondContact O-N 3.31Å; S316-T318 VanDerWaalsContact O-N 3.15Å; S316-T318 WeakPolarHBondContact OG-CB 3.48Å; S316-T318 WeakPolarHBondContact OG-CG2 3.45Å; S316-T318 PolarHBondContact OG-N 3.04Å; S316-T318 PolarHBondContact OG-OG1 2.72Å |
| 319 | L | 80.3 | Confident | 83.3 | Confident | 24 Ų | 24 | 67.2 Ų | 67.2 | 13% | 0.126 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -87.3 | 142.6 | 178.8 | -66.5 | -179 | 0 | 0 | 0 | 111.2 | Y173 L176 A177 I313 Y314 E321 | Y173-L319 HydrophobicContact CE2-CB 3.91Å; Y173-L319 HydrophobicContact CE2-CD1 4.04Å; L176-L319 HydrophobicContact CB-CD2 3.9Å; A177-L319 HydrophobicContact CB-CD1 4.01Å; I313-L319 HydrophobicContact CG2-CD1 3.61Å; I313-L319 HydrophobicContact CG2-CD2 4.37Å; I313-L319 HydrophobicContact CG2-CG 3.83Å; Y314-L319 HydrophobicContact CD1-CD1 3.62Å; Y314-L319 HydrophobicContact CE1-CD1 3.39Å; L319-E321 PolarHBondContact O-N 3.03Å |
| 320 | P | 81.1 | Confident | 83.3 | Confident | 83 Ų | 83 | 65 Ų | 65 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 133.4 | 173.4 | 27.2 | -33.8 | 0 | 0 | 0 | 110 | Y173 L176 P322 | Y173-P320 VanDerWaalsContact CE2-O 3.3Å; Y173-P320 WeakPolarHBondContact CE2-O 3.44Å; L176-P320 HydrophobicContact CD1-CG 3.88Å; P320-P322 WeakPolarHBondContact O-CD 3.48Å |
| 321 | E | 79.2 | Confident | 83.3 | Confident | 94 Ų | 94 | 66.9 Ų | 66.9 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 127.9 | -179.9 | -66.2 | -172.9 | 138.1 | 0 | 0 | 111.1 | R135 L319 R323 | R135-E321 IonicContact CZ-OE1 3.78Å; R135-E321 IonicContact NH1-OE1 2.86Å; R135-E321 PolarHBondContact NH1-OE1 3.28Å; L319-E321 PolarHBondContact O-N 3.03Å; E321-R323 PolarHBondContact O-N 3.02Å |
| 322 | P | 81.7 | Confident | 83.4 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 10% | 0.097 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 120.9 | 170.5 | -22.5 | 34.8 | 0 | 0 | 0 | 110.4 | V134 A138 Y173 P320 | V134-P322 HydrophobicContact CG1-CB 4.13Å; A138-P322 HydrophobicContact CB-CB 3.95Å; A138-P322 HydrophobicContact CB-CG 3.74Å; Y173-P322 HydrophobicContact CD1-CG 4.07Å; Y173-P322 HydrophobicContact CD2-CG 3.79Å; Y173-P322 HydrophobicContact CE1-CG 3.92Å; Y173-P322 HydrophobicContact CE2-CG 3.68Å; Y173-P322 HydrophobicContact CG-CG 3.99Å; P320-P322 WeakPolarHBondContact O-CD 3.48Å |
| 323 | R | 80.2 | Confident | 83.7 | Confident | 93 Ų | 93 | 63.6 Ų | 63.6 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | trans | -112.6 | 160 | -179.8 | -66.4 | -176.1 | -180 | -175.8 | -0.6 | 111.2 | E321 E327 A328 E331 | E321-R323 PolarHBondContact O-N 3.02Å; R323-E327 HydrophobicContact CB-CB 4.19Å; R323-A328 HydrophobicContact CB-CB 4.42Å; R323-E331 IonicContact CZ-OE1 3.49Å; R323-E331 IonicContact CZ-OE2 2.77Å; R323-E331 IonicContact NE-OE2 3.99Å; R323-E331 IonicContact NH1-OE1 2.64Å; R323-E331 PolarHBondContact NH1-OE1 2.93Å; R323-E331 IonicContact NH1-OE2 3.73Å; R323-E331 PolarHBondContact NH1-OE2 2.97Å | ||
| 324 | S | 82.9 | Confident | 84.1 | Confident | 39 Ų | 39 | 61.7 Ų | 61.7 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | trans | -63.2 | 154.4 | 169.6 | 66.8 | 0 | 0 | 0 | 0 | 110.6 | L326 E327 A328 | S324-L326 PolarHBondContact O-N 3.23Å; S324-E327 PolarHBondContact N-OE2 3.37Å; S324-E327 PolarHBondContact O-N 2.67Å; S324-E327 WeakPolarHBondContact OG-CB 3.31Å; S324-E327 VanDerWaalsContact OG-CG 3.22Å; S324-E327 WeakPolarHBondContact OG-CG 3.18Å; S324-E327 PolarHBondContact OG-N 2.69Å; S324-E327 PolarHBondContact OG-OE2 2.76Å; S324-A328 PolarHBondContact O-N 3.25Å | ||
| 325 | M | 80.2 | Confident | 84.5 | Confident | 131 Ų | 131 | 64.4 Ų | 64.4 | 65% | 0.645 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -54.8 | -37.8 | 178 | -72.6 | -176.9 | -98.9 | 0 | 0 | 112.3 | T329 | M325-T329 WeakPolarHBondContact O-CB 3.48Å; M325-T329 PolarHBondContact O-N 3.44Å; M325-T329 PolarHBondContact O-OG1 2.89Å |
| 326 | L | 84.1 | Confident | 85.1 | Confident | 108 Ų | 108 | 64.3 Ų | 64.3 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.1 | -46.9 | 179.2 | -174.9 | 154.7 | 0 | 0 | 0 | 111.5 | S324 T329 A330 | S324-L326 PolarHBondContact O-N 3.23Å; L326-T329 PolarHBondContact O-N 2.95Å; L326-A330 VanDerWaalsContact O-CB 3.22Å; L326-A330 WeakPolarHBondContact O-CB 3.39Å; L326-A330 PolarHBondContact O-N 3.39Å |
| 327 | E | 86.2 | Confident | 85.9 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 41% | 0.407 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 179.6 | -72.7 | 166 | 150.9 | 0 | 0 | 111.9 | R323 S324 T329 A330 E331 | R323-E327 HydrophobicContact CB-CB 4.19Å; S324-E327 PolarHBondContact N-OE2 3.37Å; S324-E327 PolarHBondContact O-N 2.67Å; S324-E327 WeakPolarHBondContact OG-CB 3.31Å; S324-E327 VanDerWaalsContact OG-CG 3.22Å; S324-E327 WeakPolarHBondContact OG-CG 3.18Å; S324-E327 PolarHBondContact OG-N 2.69Å; S324-E327 PolarHBondContact OG-OE2 2.76Å; E327-T329 PolarHBondContact O-N 3.31Å; E327-A330 PolarHBondContact O-N 3.11Å; E327-E331 WeakPolarHBondContact O-CB 3.4Å; E327-E331 PolarHBondContact O-N 3.48Å |
| 328 | A | 84.6 | Confident | 87.1 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R323 S324 E331 A332 | R323-A328 HydrophobicContact CB-CB 4.42Å; S324-A328 PolarHBondContact O-N 3.25Å; A328-E331 PolarHBondContact O-N 3.41Å; A328-A332 WeakPolarHBondContact O-CB 3.44Å; A328-A332 PolarHBondContact O-N 3.17Å |
| 329 | T | 87.2 | Confident | 88 | Confident | 55 Ų | 55 | 55.6 Ų | 55.6 | 34% | 0.337 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 176.5 | -52.3 | 0 | 0 | 0 | 0 | 111.5 | M325 L326 E327 A332 N333 M386 | M325-T329 WeakPolarHBondContact O-CB 3.48Å; M325-T329 PolarHBondContact O-N 3.44Å; M325-T329 PolarHBondContact O-OG1 2.89Å; L326-T329 PolarHBondContact O-N 2.95Å; E327-T329 PolarHBondContact O-N 3.31Å; T329-A332 PolarHBondContact O-N 3.14Å; T329-N333 WeakPolarHBondContact O-CB 3.34Å; T329-N333 PolarHBondContact O-N 2.89Å; T329-N333 PolarHBondContact O-ND2 3.38Å; T329-N333 VanDerWaalsContact O-ND2 3.14Å; T329-M386 HydrophobicContact CG2-CE 4.22Å; T329-M386 HydrophobicContact CG2-CG 4.32Å; T329-M386 HydrophobicContact CG2-SD 3.45Å; T329-M386 WeakPolarHBondContact CG2-SD 3.41Å |
| 330 | A | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61 | -45.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L326 E327 N333 N334 M386 F391 | L326-A330 VanDerWaalsContact O-CB 3.22Å; L326-A330 WeakPolarHBondContact O-CB 3.39Å; L326-A330 PolarHBondContact O-N 3.39Å; E327-A330 PolarHBondContact O-N 3.11Å; A330-N333 PolarHBondContact O-N 2.77Å; A330-N334 WeakPolarHBondContact O-CB 3.44Å; A330-N334 PolarHBondContact O-N 2.97Å; A330-N334 PolarHBondContact O-ND2 2.82Å; A330-M386 HydrophobicContact CB-CB 4.1Å; A330-M386 VanDerWaalsContact CB-O 3.29Å; A330-M386 WeakPolarHBondContact CB-O 3.34Å; A330-F391 HydrophobicContact CB-CD1 3.84Å; A330-F391 HydrophobicContact CB-CE1 3.56Å; A330-F391 HydrophobicContact CB-CZ 4.03Å |
| 331 | E | 90.4 | Very high | 89.6 | Confident | 51 Ų | 51 | 53.6 Ų | 53.6 | 24% | 0.238 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -50.7 | 174.5 | 170.2 | 165 | -124.2 | 0 | 0 | 111.8 | R323 E327 A328 N333 N334 L335 F391 Y395 | R323-E331 IonicContact CZ-OE1 3.49Å; R323-E331 IonicContact CZ-OE2 2.77Å; R323-E331 IonicContact NE-OE2 3.99Å; R323-E331 IonicContact NH1-OE1 2.64Å; R323-E331 PolarHBondContact NH1-OE1 2.93Å; R323-E331 IonicContact NH1-OE2 3.73Å; R323-E331 PolarHBondContact NH1-OE2 2.97Å; E327-E331 WeakPolarHBondContact O-CB 3.4Å; E327-E331 PolarHBondContact O-N 3.48Å; A328-E331 PolarHBondContact O-N 3.41Å; E331-N333 VanDerWaalsContact C-N 3.3Å; E331-N333 PolarHBondContact O-N 3.29Å; E331-N334 PolarHBondContact O-N 2.88Å; E331-N334 VanDerWaalsContact O-N 3.11Å; E331-L335 HydrophobicContact CG-CD1 3.77Å; E331-L335 HydrophobicContact CG-CG 4.23Å; E331-L335 WeakPolarHBondContact O-CG 3.38Å; E331-L335 PolarHBondContact O-N 2.95Å; E331-F391 HydrophobicContact CB-CZ 4.48Å; E331-Y395 WeakPolarHBondContact CB-OH 3.31Å; E331-Y395 HydrophobicContact CG-CE1 4.45Å; E331-Y395 VanDerWaalsContact CG-OH 3.25Å; E331-Y395 WeakPolarHBondContact CG-OH 3.32Å; E331-Y395 PolarHBondContact OE1-OH 3.08Å |
| 332 | A | 91.6 | Very high | 90.4 | Very high | 44 Ų | 44 | 51.2 Ų | 51.2 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A328 T329 L335 N336 | A328-A332 WeakPolarHBondContact O-CB 3.44Å; A328-A332 PolarHBondContact O-N 3.17Å; T329-A332 PolarHBondContact O-N 3.14Å; A332-L335 PolarHBondContact O-N 3.29Å; A332-N336 WeakPolarHBondContact O-CB 3.43Å; A332-N336 VanDerWaalsContact O-CG 3.26Å; A332-N336 PolarHBondContact O-N 3.11Å; A332-N336 PolarHBondContact O-ND2 3.02Å |
| 333 | N | 93.6 | Very high | 91.1 | Very high | 45 Ų | 45 | 56.2 Ų | 56.2 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 175.1 | -71.4 | -174.2 | 0 | 0 | 0 | 111.7 | T329 A330 E331 A337 K385 M386 | T329-N333 WeakPolarHBondContact O-CB 3.34Å; T329-N333 PolarHBondContact O-N 2.89Å; T329-N333 PolarHBondContact O-ND2 3.38Å; T329-N333 VanDerWaalsContact O-ND2 3.14Å; A330-N333 PolarHBondContact O-N 2.77Å; E331-N333 VanDerWaalsContact C-N 3.3Å; E331-N333 PolarHBondContact O-N 3.29Å; N333-A337 WeakPolarHBondContact O-CB 3.23Å; N333-A337 PolarHBondContact O-N 2.9Å; N333-K385 HydrophobicContact CB-CB 4.17Å; N333-K385 HydrophobicContact CB-CG 4.21Å; N333-M386 PolarHBondContact OD1-N 2.91Å |
| 334 | N | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 179.3 | -82.4 | -82.3 | 0 | 0 | 0 | 112.2 | A330 E331 A337 I338 K385 S392 Y395 | A330-N334 WeakPolarHBondContact O-CB 3.44Å; A330-N334 PolarHBondContact O-N 2.97Å; A330-N334 PolarHBondContact O-ND2 2.82Å; E331-N334 PolarHBondContact O-N 2.88Å; E331-N334 VanDerWaalsContact O-N 3.11Å; N334-A337 WeakPolarHBondContact O-CB 3.26Å; N334-A337 PolarHBondContact O-N 3.39Å; N334-I338 WeakPolarHBondContact O-CG1 3.5Å; N334-I338 PolarHBondContact O-N 3.49Å; N334-K385 WeakPolarHBondContact OD1-CD 3.11Å; N334-S392 PolarHBondContact ND2-OG 3.36Å; N334-S392 WeakPolarHBondContact OD1-CA 3.48Å; N334-S392 VanDerWaalsContact OD1-CB 3.31Å; N334-S392 WeakPolarHBondContact OD1-CB 3.38Å; N334-S392 PolarHBondContact OD1-OG 2.88Å; N334-Y395 HydrophobicContact CB-CD1 3.69Å; N334-Y395 HydrophobicContact CB-CD2 3.68Å; N334-Y395 HydrophobicContact CB-CE1 4.1Å; N334-Y395 HydrophobicContact CB-CE2 4.09Å; N334-Y395 HydrophobicContact CB-CG 3.47Å; N334-Y395 VanDerWaalsContact CB-CG 3.47Å |
| 335 | L | 94.7 | Very high | 92.7 | Very high | 59 Ų | 59 | 53.6 Ų | 53.6 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 176.2 | -70.5 | 175.2 | 0 | 0 | 0 | 111.8 | E331 A332 A337 I338 L339 Y395 | E331-L335 HydrophobicContact CG-CD1 3.77Å; E331-L335 HydrophobicContact CG-CG 4.23Å; E331-L335 WeakPolarHBondContact O-CG 3.38Å; E331-L335 PolarHBondContact O-N 2.95Å; A332-L335 PolarHBondContact O-N 3.29Å; L335-A337 VanDerWaalsContact C-N 3.29Å; L335-A337 PolarHBondContact O-N 3.26Å; L335-I338 WeakPolarHBondContact O-CB 3.41Å; L335-I338 PolarHBondContact O-N 3.41Å; L335-I338 VanDerWaalsContact O-N 3.15Å; L335-L339 WeakPolarHBondContact O-CG 3.38Å; L335-L339 PolarHBondContact O-N 3.01Å; L335-Y395 HydrophobicContact CD2-CD1 4.22Å; L335-Y395 HydrophobicContact CD2-CE1 3.9Å; L335-Y395 HydrophobicContact CG-CE1 4.07Å |
| 336 | N | 94.5 | Very high | 93.5 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 52% | 0.519 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 174.3 | -74.6 | -21 | 0 | 0 | 0 | 111.4 | A332 I338 L339 T340 | A332-N336 WeakPolarHBondContact O-CB 3.43Å; A332-N336 VanDerWaalsContact O-CG 3.26Å; A332-N336 PolarHBondContact O-N 3.11Å; A332-N336 PolarHBondContact O-ND2 3.02Å; N336-I338 VanDerWaalsContact C-N 3.34Å; N336-I338 PolarHBondContact O-N 2.97Å; N336-L339 PolarHBondContact O-N 3.35Å; N336-T340 PolarHBondContact O-N 2.95Å; N336-T340 PolarHBondContact O-OG1 3Å; N336-T340 VanDerWaalsContact O-OG1 3.05Å |
| 337 | A | 96.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N333 N334 L335 C341 F380 I383 K385 | N333-A337 WeakPolarHBondContact O-CB 3.23Å; N333-A337 PolarHBondContact O-N 2.9Å; N334-A337 WeakPolarHBondContact O-CB 3.26Å; N334-A337 PolarHBondContact O-N 3.39Å; L335-A337 VanDerWaalsContact C-N 3.29Å; L335-A337 PolarHBondContact O-N 3.26Å; A337-C341 WeakPolarHBondContact O-CB 3.46Å; A337-C341 PolarHBondContact O-N 3.46Å; A337-C341 VanDerWaalsContact O-N 3.08Å; A337-C341 PolarHBondContact O-SG 3.32Å; A337-F380 HydrophobicContact CB-CD2 3.75Å; A337-F380 HydrophobicContact CB-CE2 3.65Å; A337-I383 HydrophobicContact CB-CB 4.31Å; A337-I383 HydrophobicContact CB-CD1 3.83Å; A337-I383 HydrophobicContact CB-CG2 4.03Å; A337-K385 HydrophobicContact CB-CD 3.83Å |
| 338 | I | 96.7 | Very high | 94.6 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.2 | -52 | 172.4 | -70.9 | 178.4 | 0 | 0 | 0 | 110.1 | N334 L335 N336 T340 C341 Q342 F380 Y395 R398 L399 | N334-I338 WeakPolarHBondContact O-CG1 3.5Å; N334-I338 PolarHBondContact O-N 3.49Å; L335-I338 WeakPolarHBondContact O-CB 3.41Å; L335-I338 PolarHBondContact O-N 3.41Å; L335-I338 VanDerWaalsContact O-N 3.15Å; N336-I338 VanDerWaalsContact C-N 3.34Å; N336-I338 PolarHBondContact O-N 2.97Å; I338-T340 PolarHBondContact O-N 3.15Å; I338-C341 PolarHBondContact O-N 2.96Å; I338-C341 VanDerWaalsContact O-N 3.15Å; I338-Q342 HydrophobicContact CG2-CG 4.19Å; I338-Q342 WeakPolarHBondContact O-CG 3.41Å; I338-Q342 PolarHBondContact O-N 3.36Å; I338-F380 HydrophobicContact CG1-CE2 3.87Å; I338-Y395 HydrophobicContact CD1-CD1 3.95Å; I338-R398 HydrophobicContact CD1-CB 4.45Å; I338-R398 HydrophobicContact CD1-CG 4.41Å; I338-L399 HydrophobicContact CG1-CB 4.26Å; I338-L399 HydrophobicContact CG2-CD1 4.29Å |
| 339 | L | 96.3 | Very high | 95.1 | Very high | 90 Ų | 90 | 44.3 Ų | 44.3 | 47% | 0.471 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.5 | -48.8 | -178.6 | -68.8 | 172.8 | 0 | 0 | 0 | 111.5 | L335 N336 C341 Q342 E343 | L335-L339 WeakPolarHBondContact O-CG 3.38Å; L335-L339 PolarHBondContact O-N 3.01Å; N336-L339 PolarHBondContact O-N 3.35Å; L339-C341 VanDerWaalsContact C-N 3.27Å; L339-C341 PolarHBondContact O-N 3.33Å; L339-Q342 PolarHBondContact O-N 3.41Å; L339-Q342 VanDerWaalsContact O-N 3.15Å; L339-E343 WeakPolarHBondContact O-CG 3.37Å; L339-E343 PolarHBondContact O-N 2.97Å |
| 340 | T | 96.7 | Very high | 95.4 | Very high | 64 Ų | 64 | 45.1 Ų | 45.1 | 39% | 0.393 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.2 | -40.2 | 176.4 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | N336 I338 M344 I383 | N336-T340 PolarHBondContact O-N 2.95Å; N336-T340 PolarHBondContact O-OG1 3Å; N336-T340 VanDerWaalsContact O-OG1 3.05Å; I338-T340 PolarHBondContact O-N 3.15Å; T340-M344 WeakPolarHBondContact O-CB 3.4Å; T340-M344 PolarHBondContact O-N 3.48Å; T340-M344 VanDerWaalsContact O-N 3.09Å; T340-I383 HydrophobicContact CG2-CD1 4.45Å |
| 341 | C | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.3 | -35 | 179.3 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | A337 I338 L339 Y345 A376 F380 L399 | A337-C341 WeakPolarHBondContact O-CB 3.46Å; A337-C341 PolarHBondContact O-N 3.46Å; A337-C341 VanDerWaalsContact O-N 3.08Å; A337-C341 PolarHBondContact O-SG 3.32Å; I338-C341 PolarHBondContact O-N 2.96Å; I338-C341 VanDerWaalsContact O-N 3.15Å; L339-C341 VanDerWaalsContact C-N 3.27Å; L339-C341 PolarHBondContact O-N 3.33Å; C341-Y345 WeakPolarHBondContact O-CB 3.3Å; C341-Y345 PolarHBondContact O-N 2.78Å; C341-A376 HydrophobicContact CB-CB 4.43Å; C341-A376 PolarHBondContact SG-O 3.15Å; C341-F380 PolarHBondContact SG-N 3.29Å; C341-L399 HydrophobicContact CB-CD1 3.83Å; C341-L399 HydrophobicContact CB-CD2 3.9Å |
| 342 | Q | 97.2 | Very high | 95.5 | Very high | 44 Ų | 44 | 52 Ų | 52 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 175 | -73.6 | 174.9 | -1 | 0 | 0 | 112 | I338 L339 Y345 S346 L399 T402 L403 | I338-Q342 HydrophobicContact CG2-CG 4.19Å; I338-Q342 WeakPolarHBondContact O-CG 3.41Å; I338-Q342 PolarHBondContact O-N 3.36Å; L339-Q342 PolarHBondContact O-N 3.41Å; L339-Q342 VanDerWaalsContact O-N 3.15Å; Q342-Y345 PolarHBondContact O-N 2.91Å; Q342-S346 WeakPolarHBondContact O-CB 3.43Å; Q342-S346 PolarHBondContact O-N 3.32Å; Q342-S346 PolarHBondContact O-OG 3.41Å; Q342-L399 HydrophobicContact CG-CD1 4.19Å; Q342-T402 HydrophobicContact CG-CG2 4.32Å; Q342-L403 HydrophobicContact CG-CD2 4.43Å |
| 343 | E | 96.8 | Very high | 95.3 | Very high | 121 Ų | 121 | 50 Ų | 50 | 57% | 0.565 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -61.9 | -50.3 | 174.4 | -73.6 | 175 | 172.5 | 0 | 0 | 110.7 | L339 Y345 S346 E347 | L339-E343 WeakPolarHBondContact O-CG 3.37Å; L339-E343 PolarHBondContact O-N 2.97Å; E343-Y345 VanDerWaalsContact C-N 3.29Å; E343-Y345 PolarHBondContact O-N 3.04Å; E343-S346 PolarHBondContact O-N 3.34Å; E343-E347 WeakPolarHBondContact O-CB 3.48Å; E343-E347 WeakPolarHBondContact O-CG 3.4Å; E343-E347 PolarHBondContact O-N 3.19Å |
| 344 | M | 97 | Very high | 94.9 | Very high | 76 Ų | 76 | 48 Ų | 48 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -54.5 | -45.2 | 175.1 | 174 | -176.1 | -82.1 | 0 | 0 | 112 | T340 A348 K379 | T340-M344 WeakPolarHBondContact O-CB 3.4Å; T340-M344 PolarHBondContact O-N 3.48Å; T340-M344 VanDerWaalsContact O-N 3.09Å; M344-A348 WeakPolarHBondContact O-CB 3.47Å; M344-A348 PolarHBondContact O-N 2.79Å; M344-A348 VanDerWaalsContact O-N 3.16Å; M344-K379 HydrophobicContact CE-CB 4.47Å; M344-K379 HydrophobicContact CE-CD 4.13Å; M344-K379 HydrophobicContact CE-CG 3.93Å; M344-K379 HydrophobicContact SD-CB 4.11Å; M344-K379 HydrophobicContact SD-CG 4.11Å |
| 345 | Y | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 178.5 | 173.7 | -85.7 | 0 | 0 | 0 | 111.4 | C341 Q342 E343 A348 M349 H369 I372 L403 L406 G407 Y410 | C341-Y345 WeakPolarHBondContact O-CB 3.3Å; C341-Y345 PolarHBondContact O-N 2.78Å; Q342-Y345 PolarHBondContact O-N 2.91Å; E343-Y345 VanDerWaalsContact C-N 3.29Å; E343-Y345 PolarHBondContact O-N 3.04Å; Y345-A348 PolarHBondContact O-N 3.49Å; Y345-M349 HydrophobicContact CD1-CG 4.12Å; Y345-M349 HydrophobicContact CD2-CG 4.5Å; Y345-M349 HydrophobicContact CE1-CB 4.49Å; Y345-M349 HydrophobicContact CE1-CG 3.6Å; Y345-M349 HydrophobicContact CE2-CG 4.02Å; Y345-M349 WeakPolarHBondContact O-CG 3.46Å; Y345-M349 PolarHBondContact O-N 3.22Å; Y345-H369 AromaticContact CE2-ND1 3.61Å; Y345-H369 AromaticContact CZ-ND1 3.58Å; Y345-H369 PolarHBondContact OH-CE1 2.89Å; Y345-H369 PolarHBondContact OH-ND1 3.41Å; Y345-I372 HydrophobicContact CD2-CB 4.26Å; Y345-I372 HydrophobicContact CD2-CG2 3.52Å; Y345-I372 HydrophobicContact CE2-CB 4.44Å; Y345-I372 HydrophobicContact CE2-CG2 4.12Å; Y345-I372 HydrophobicContact CG-CG2 4.1Å; Y345-L403 HydrophobicContact CD1-CD2 4.03Å; Y345-L403 HydrophobicContact CD2-CD2 3.89Å; Y345-L403 HydrophobicContact CG-CD2 3.57Å; Y345-L406 HydrophobicContact CD1-CB 4.13Å; Y345-L406 HydrophobicContact CD1-CD1 3.94Å; Y345-L406 HydrophobicContact CE1-CB 3.54Å; Y345-L406 HydrophobicContact CE1-CD1 4.23Å; Y345-G407 WeakPolarHBondContact OH-CA 3.47Å; Y345-G407 PolarHBondContact OH-N 3.22Å; Y345-Y410 HydrophobicContact CE1-CD2 4.06Å; Y345-Y410 AromaticContact CE1-CE2 3.95Å; Y345-Y410 HydrophobicContact CE1-CE2 3.95Å |
| 346 | S | 97 | Very high | 93.6 | Very high | 28 Ų | 28 | 58.3 Ų | 58.3 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.2 | -41.1 | -177 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | Q342 E343 A348 M349 N350 Y410 | Q342-S346 WeakPolarHBondContact O-CB 3.43Å; Q342-S346 PolarHBondContact O-N 3.32Å; Q342-S346 PolarHBondContact O-OG 3.41Å; E343-S346 PolarHBondContact O-N 3.34Å; S346-A348 PolarHBondContact O-N 3.33Å; S346-M349 PolarHBondContact O-N 2.77Å; S346-N350 WeakPolarHBondContact O-CB 3.46Å; S346-N350 PolarHBondContact O-N 3.03Å; S346-N350 PolarHBondContact O-ND2 3.42Å; S346-Y410 PolarHBondContact O-OH 3.18Å; S346-Y410 VanDerWaalsContact O-OH 3.12Å |
| 347 | E | 96.8 | Very high | 93 | Very high | 119 Ų | 119 | 59.7 Ų | 59.7 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.8 | -43.5 | 173.8 | -74.9 | -175.2 | 179.2 | 0 | 0 | 112.3 | E343 K351 | E343-E347 WeakPolarHBondContact O-CB 3.48Å; E343-E347 WeakPolarHBondContact O-CG 3.4Å; E343-E347 PolarHBondContact O-N 3.19Å; E347-K351 WeakPolarHBondContact O-CG 3.4Å; E347-K351 PolarHBondContact O-N 3.39Å; E347-K351 VanDerWaalsContact O-N 3.12Å |
| 348 | A | 96.8 | Very high | 92 | Very high | 27 Ų | 27 | 64 Ų | 64 | 22% | 0.223 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M344 Y345 S346 K351 I352 I372 | M344-A348 WeakPolarHBondContact O-CB 3.47Å; M344-A348 PolarHBondContact O-N 2.79Å; M344-A348 VanDerWaalsContact O-N 3.16Å; Y345-A348 PolarHBondContact O-N 3.49Å; S346-A348 PolarHBondContact O-N 3.33Å; A348-K351 PolarHBondContact O-N 3.36Å; A348-I352 WeakPolarHBondContact O-CG1 3.34Å; A348-I352 PolarHBondContact O-N 3.27Å; A348-I372 HydrophobicContact CB-CB 4.46Å; A348-I372 HydrophobicContact CB-CD1 3.61Å; A348-I372 HydrophobicContact CB-CG1 3.89Å; A348-I372 HydrophobicContact CB-CG2 3.66Å |
| 349 | M | 95.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 175.6 | -72.4 | -63.6 | -70.4 | 0 | 0 | 112.1 | Y345 S346 K351 I352 C353 L365 H369 I372 Y410 | Y345-M349 HydrophobicContact CD1-CG 4.12Å; Y345-M349 HydrophobicContact CD2-CG 4.5Å; Y345-M349 HydrophobicContact CE1-CB 4.49Å; Y345-M349 HydrophobicContact CE1-CG 3.6Å; Y345-M349 HydrophobicContact CE2-CG 4.02Å; Y345-M349 WeakPolarHBondContact O-CG 3.46Å; Y345-M349 PolarHBondContact O-N 3.22Å; S346-M349 PolarHBondContact O-N 2.77Å; M349-K351 VanDerWaalsContact C-N 3.28Å; M349-K351 PolarHBondContact O-N 3.48Å; M349-I352 CarbonylContact O-C 3.57Å; M349-I352 WeakPolarHBondContact O-CA 3.43Å; M349-I352 PolarHBondContact O-N 2.97Å; M349-C353 PolarHBondContact O-N 3.22Å; M349-C353 PolarHBondContact O-SG 3.2Å; M349-L365 HydrophobicContact CE-CD1 3.75Å; M349-H369 HydrophobicContact CE-CB 4.38Å; M349-H369 HydrophobicContact SD-CB 4.41Å; M349-I372 HydrophobicContact CG-CD1 4.09Å; M349-I372 HydrophobicContact SD-CD1 3.65Å; M349-Y410 HydrophobicContact CB-CD1 4.17Å; M349-Y410 HydrophobicContact CB-CD2 3.61Å; M349-Y410 HydrophobicContact CB-CE1 3.88Å; M349-Y410 HydrophobicContact CB-CE2 3.29Å; M349-Y410 HydrophobicContact CB-CG 4.06Å; M349-Y410 VanDerWaalsContact CB-CZ 3.44Å; M349-Y410 HydrophobicContact CE-CD1 4.46Å; M349-Y410 HydrophobicContact CE-CD2 3.76Å; M349-Y410 HydrophobicContact CE-CG 3.68Å; M349-Y410 HydrophobicContact CG-CD2 3.83Å; M349-Y410 HydrophobicContact CG-CE2 3.83Å; M349-Y410 HydrophobicContact CG-CG 4.49Å |
| 350 | N | 94.3 | Very high | 90.5 | Very high | 72 Ų | 72 | 64.1 Ų | 64.1 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.9 | -35.6 | 175.8 | -79.2 | -25.1 | 0 | 0 | 0 | 112.5 | S346 I352 G354 Y410 | S346-N350 WeakPolarHBondContact O-CB 3.46Å; S346-N350 PolarHBondContact O-N 3.03Å; S346-N350 PolarHBondContact O-ND2 3.42Å; N350-I352 PolarHBondContact O-N 3.44Å; N350-G354 VanDerWaalsContact O-CA 3.3Å; N350-G354 WeakPolarHBondContact O-CA 3.44Å; N350-G354 PolarHBondContact O-N 2.78Å; N350-Y410 PolarHBondContact ND2-OH 3.31Å; N350-Y410 VanDerWaalsContact OD1-CE1 3.27Å; N350-Y410 WeakPolarHBondContact OD1-CE1 3.41Å; N350-Y410 PolarHBondContact OD1-OH 3.29Å |
| 351 | K | 93.5 | Very high | 89.9 | Confident | 138 Ų | 138 | 64.7 Ų | 64.7 | 60% | 0.6 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.9 | -26.1 | 173.6 | -75.4 | 169.8 | -175.2 | 168.5 | 0 | 112.9 | E347 A348 M349 R357 | E347-K351 WeakPolarHBondContact O-CG 3.4Å; E347-K351 PolarHBondContact O-N 3.39Å; E347-K351 VanDerWaalsContact O-N 3.12Å; A348-K351 PolarHBondContact O-N 3.36Å; M349-K351 VanDerWaalsContact C-N 3.28Å; M349-K351 PolarHBondContact O-N 3.48Å; K351-R357 VanDerWaalsContact O-CZ 3.28Å; K351-R357 PolarHBondContact O-NE 3.46Å; K351-R357 PolarHBondContact O-NH2 3.44Å |
| 352 | I | 90 | Very high | 89.5 | Confident | 58 Ų | 58 | 67 Ų | 67 | 30% | 0.297 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -93.4 | -61.2 | -177.4 | -63.8 | 177 | 0 | 0 | 0 | 110.2 | A348 M349 N350 R357 I360 A368 I372 | A348-I352 WeakPolarHBondContact O-CG1 3.34Å; A348-I352 PolarHBondContact O-N 3.27Å; M349-I352 CarbonylContact O-C 3.57Å; M349-I352 WeakPolarHBondContact O-CA 3.43Å; M349-I352 PolarHBondContact O-N 2.97Å; N350-I352 PolarHBondContact O-N 3.44Å; I352-R357 VanDerWaalsContact O-CB 3.27Å; I352-R357 WeakPolarHBondContact O-CB 3.37Å; I352-R357 WeakPolarHBondContact O-CG 3.35Å; I352-I360 HydrophobicContact CB-CD1 4.47Å; I352-I360 HydrophobicContact CG2-CD1 3.37Å; I352-I360 WeakPolarHBondContact O-CD1 3.34Å; I352-A368 HydrophobicContact CD1-CB 3.66Å; I352-A368 HydrophobicContact CG2-CB 4.29Å; I352-I372 HydrophobicContact CD1-CD1 3.67Å |
| 353 | C | 86.3 | Confident | 89.1 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.014 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -125.8 | 19.1 | -171.1 | 64.8 | 0 | 0 | 0 | 0 | 114 | M349 I360 L365 Y410 K417 | M349-C353 PolarHBondContact O-N 3.22Å; M349-C353 PolarHBondContact O-SG 3.2Å; C353-I360 HydrophobicContact CB-CD1 4.27Å; C353-L365 HydrophobicContact CB-CD1 3.93Å; C353-L365 VanDerWaalsContact SG-CD1 3.56Å; C353-Y410 VanDerWaalsContact SG-CD1 3.52Å; C353-K417 PolarHBondContact O-NZ 2.73Å |
| 354 | G | 86 | Confident | 88.7 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -59.1 | 173.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N350 D356 R357 K417 | N350-G354 VanDerWaalsContact O-CA 3.3Å; N350-G354 WeakPolarHBondContact O-CA 3.44Å; N350-G354 PolarHBondContact O-N 2.78Å; G354-D356 VanDerWaalsContact C-N 3.28Å; G354-D356 PolarHBondContact O-N 3Å; G354-D356 VanDerWaalsContact O-N 3.13Å; G354-R357 WeakPolarHBondContact O-CB 3.48Å; G354-R357 PolarHBondContact O-N 3.13Å; G354-K417 PolarHBondContact O-NZ 3.2Å |
| 355 | P | 81.7 | Confident | 88.4 | Confident | 113 Ų | 113 | 65 Ų | 65 | 73% | 0.734 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -40.8 | -172 | -28.5 | 35.5 | 0 | 0 | 0 | 114.7 | R357 | P355-R357 VanDerWaalsContact C-N 3.29Å; P355-R357 PolarHBondContact O-N 3.4Å |
| 356 | D | 80.4 | Confident | 88.2 | Confident | 163 Ų | 163 | 68.1 Ų | 68.1 | 87% | 0.872 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 3.1 | -178.7 | -54.5 | -46.5 | 0 | 0 | 0 | 114.2 | G354 | G354-D356 VanDerWaalsContact C-N 3.28Å; G354-D356 PolarHBondContact O-N 3Å; G354-D356 VanDerWaalsContact O-N 3.13Å |
| 357 | R | 80.6 | Confident | 88 | Confident | 125 Ų | 125 | 70.3 Ų | 70.3 | 47% | 0.472 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -96.3 | 144.5 | 179.8 | -60.8 | -64.1 | -174.2 | 171.7 | 1.9 | 111.1 | K351 I352 G354 P355 K417 | K351-R357 VanDerWaalsContact O-CZ 3.28Å; K351-R357 PolarHBondContact O-NE 3.46Å; K351-R357 PolarHBondContact O-NH2 3.44Å; I352-R357 VanDerWaalsContact O-CB 3.27Å; I352-R357 WeakPolarHBondContact O-CB 3.37Å; I352-R357 WeakPolarHBondContact O-CG 3.35Å; G354-R357 WeakPolarHBondContact O-CB 3.48Å; G354-R357 PolarHBondContact O-N 3.13Å; P355-R357 VanDerWaalsContact C-N 3.29Å; P355-R357 PolarHBondContact O-N 3.4Å; R357-K417 WeakPolarHBondContact O-CE 3.31Å; R357-K417 PolarHBondContact O-NZ 3.47Å |
| 358 | P | 75.8 | Confident | 87.9 | Confident | 91 Ų | 91 | 65.5 Ų | 65.5 | 59% | 0.591 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -63 | 168.6 | 175.2 | 28.7 | -35.2 | 0 | 0 | 0 | 111.7 | ||
| 359 | Y | 82 | Confident | 87.9 | Confident | 64 Ų | 64 | 66 Ų | 66 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 140.6 | 169.5 | 171.6 | -99.1 | 0 | 0 | 0 | 110.8 | P362 N414 D418 | Y359-P362 WeakPolarHBondContact OH-CD 3.48Å; Y359-N414 WeakPolarHBondContact CD2-O 3.31Å; Y359-D418 HydrophobicContact CD2-CB 3.75Å; Y359-D418 HydrophobicContact CE2-CB 3.5Å; Y359-D418 HydrophobicContact CG-CB 4.48Å; Y359-D418 PolarHBondContact OH-OD2 3.15Å |
| 360 | I | 80.9 | Confident | 87.9 | Confident | 37 Ų | 37 | 70 Ų | 70 | 19% | 0.19 | 38% | 0.378 | C | S | . | . | trans | -118.4 | 143.1 | 174.2 | -68.4 | 176.7 | 0 | 0 | 0 | 108.8 | I352 C353 D364 L365 N414 | I352-I360 HydrophobicContact CB-CD1 4.47Å; I352-I360 HydrophobicContact CG2-CD1 3.37Å; I352-I360 WeakPolarHBondContact O-CD1 3.34Å; C353-I360 HydrophobicContact CB-CD1 4.27Å; I360-D364 HydrophobicContact CG2-CB 3.77Å; I360-L365 HydrophobicContact CG2-CB 4.24Å; I360-N414 PolarHBondContact N-OD1 3.33Å; I360-N414 PolarHBondContact O-ND2 3.31Å | ||
| 361 | N | 84.2 | Confident | 88.1 | Confident | 76 Ų | 76 | 74.3 Ų | 74.3 | 41% | 0.406 | 39% | 0.393 | S | S | . | . | trans | -56.3 | 135.3 | 175.2 | -176.3 | -63.2 | 0 | 0 | 0 | 110.3 | T363 D364 L365 | N361-T363 PolarHBondContact O-N 3.08Å; N361-T363 VanDerWaalsContact O-N 3.1Å; N361-T363 VanDerWaalsContact OD1-CB 3.32Å; N361-T363 WeakPolarHBondContact OD1-CB 3.41Å; N361-T363 PolarHBondContact OD1-N 3.09Å; N361-T363 PolarHBondContact OD1-OG1 2.99Å; N361-D364 HydrophobicContact CB-CB 4.45Å; N361-D364 PolarHBondContact O-N 3.4Å; N361-L365 PolarHBondContact O-N 3.05Å | ||
| 362 | P | 87.9 | Confident | 88.2 | Confident | 50 Ų | 50 | 68.7 Ų | 68.7 | 33% | 0.325 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -51.5 | -36.7 | -179.5 | -29.5 | 35.8 | 0 | 0 | 0 | 114.3 | Y359 L365 D366 | Y359-P362 WeakPolarHBondContact OH-CD 3.48Å; P362-L365 PolarHBondContact O-N 2.93Å; P362-D366 WeakPolarHBondContact O-CB 3.43Å; P362-D366 PolarHBondContact O-N 3.27Å |
| 363 | T | 89.6 | Confident | 88.6 | Confident | 94 Ų | 94 | 67.5 Ų | 67.5 | 58% | 0.577 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.4 | -39.9 | 179.6 | -42.3 | 0 | 0 | 0 | 0 | 112.2 | N361 S367 | N361-T363 PolarHBondContact O-N 3.08Å; N361-T363 VanDerWaalsContact O-N 3.1Å; N361-T363 VanDerWaalsContact OD1-CB 3.32Å; N361-T363 WeakPolarHBondContact OD1-CB 3.41Å; N361-T363 PolarHBondContact OD1-N 3.09Å; N361-T363 PolarHBondContact OD1-OG1 2.99Å; T363-S367 WeakPolarHBondContact O-CB 3.45Å; T363-S367 PolarHBondContact O-N 2.96Å; T363-S367 VanDerWaalsContact O-N 3.08Å; T363-S367 PolarHBondContact O-OG 3.47Å |
| 364 | D | 88.7 | Confident | 89.2 | Confident | 101 Ų | 101 | 73.5 Ų | 73.5 | 54% | 0.54 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -72.2 | -37.9 | 177.5 | -65.8 | -30.8 | 0 | 0 | 0 | 110.6 | I360 N361 S367 A368 | I360-D364 HydrophobicContact CG2-CB 3.77Å; N361-D364 HydrophobicContact CB-CB 4.45Å; N361-D364 PolarHBondContact O-N 3.4Å; D364-S367 PolarHBondContact O-N 3.31Å; D364-A368 WeakPolarHBondContact O-CB 3.44Å; D364-A368 PolarHBondContact O-N 3.23Å |
| 365 | L | 90.2 | Very high | 89.7 | Confident | 3 Ų | 3 | 75.6 Ų | 75.6 | 2% | 0.016 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 175.3 | -178.4 | 60.4 | 0 | 0 | 0 | 111.5 | M349 C353 I360 N361 P362 S367 A368 H369 R411 N414 | M349-L365 HydrophobicContact CE-CD1 3.75Å; C353-L365 HydrophobicContact CB-CD1 3.93Å; C353-L365 VanDerWaalsContact SG-CD1 3.56Å; I360-L365 HydrophobicContact CG2-CB 4.24Å; N361-L365 PolarHBondContact O-N 3.05Å; P362-L365 PolarHBondContact O-N 2.93Å; L365-S367 VanDerWaalsContact C-N 3.3Å; L365-S367 PolarHBondContact O-N 3.16Å; L365-A368 PolarHBondContact O-N 3.01Å; L365-H369 WeakPolarHBondContact O-CB 3.43Å; L365-H369 PolarHBondContact O-N 2.9Å; L365-R411 HydrophobicContact CD2-CB 4.44Å; L365-N414 HydrophobicContact CD2-CB 3.75Å |
| 366 | D | 93.2 | Very high | 90.5 | Very high | 66 Ų | 66 | 70.3 Ų | 70.3 | 35% | 0.353 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 177.4 | -70.9 | -19.6 | 0 | 0 | 0 | 111.1 | P362 H369 L370 | P362-D366 WeakPolarHBondContact O-CB 3.43Å; P362-D366 PolarHBondContact O-N 3.27Å; D366-H369 PolarHBondContact O-N 3.33Å; D366-L370 WeakPolarHBondContact O-CB 3.31Å; D366-L370 PolarHBondContact O-N 2.99Å |
| 367 | S | 94.1 | Very high | 91.3 | Very high | 74 Ų | 74 | 63.6 Ų | 63.6 | 52% | 0.517 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 175.3 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | T363 D364 L365 K371 | T363-S367 WeakPolarHBondContact O-CB 3.45Å; T363-S367 PolarHBondContact O-N 2.96Å; T363-S367 VanDerWaalsContact O-N 3.08Å; T363-S367 PolarHBondContact O-OG 3.47Å; D364-S367 PolarHBondContact O-N 3.31Å; L365-S367 VanDerWaalsContact C-N 3.3Å; L365-S367 PolarHBondContact O-N 3.16Å; S367-K371 WeakPolarHBondContact O-CB 3.36Å; S367-K371 PolarHBondContact O-N 3.01Å; S367-K371 VanDerWaalsContact O-N 3.15Å |
| 368 | A | 93.6 | Very high | 92.1 | Very high | 18 Ų | 18 | 64.1 Ų | 64.1 | 15% | 0.149 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I352 D364 L365 L370 K371 I372 | I352-A368 HydrophobicContact CD1-CB 3.66Å; I352-A368 HydrophobicContact CG2-CB 4.29Å; D364-A368 WeakPolarHBondContact O-CB 3.44Å; D364-A368 PolarHBondContact O-N 3.23Å; L365-A368 PolarHBondContact O-N 3.01Å; A368-L370 PolarHBondContact O-N 3.13Å; A368-K371 PolarHBondContact O-N 3.29Å; A368-I372 VanDerWaalsContact O-CG1 3.31Å; A368-I372 WeakPolarHBondContact O-CG1 3.49Å; A368-I372 PolarHBondContact O-N 3.09Å |
| 369 | H | 96.6 | Very high | 93 | Very high | 36 Ų | 36 | 63.8 Ų | 63.8 | 17% | 0.167 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -53.5 | -53.3 | 174.8 | 166.9 | 67.4 | 0 | 0 | 0 | 110.7 | Y345 M349 L365 D366 K371 I372 Y373 | Y345-H369 AromaticContact CE2-ND1 3.61Å; Y345-H369 AromaticContact CZ-ND1 3.58Å; Y345-H369 PolarHBondContact OH-CE1 2.89Å; Y345-H369 PolarHBondContact OH-ND1 3.41Å; M349-H369 HydrophobicContact CE-CB 4.38Å; M349-H369 HydrophobicContact SD-CB 4.41Å; L365-H369 WeakPolarHBondContact O-CB 3.43Å; L365-H369 PolarHBondContact O-N 2.9Å; D366-H369 PolarHBondContact O-N 3.33Å; H369-K371 VanDerWaalsContact C-N 3.28Å; H369-K371 PolarHBondContact O-N 3.06Å; H369-I372 PolarHBondContact O-N 3.49Å; H369-Y373 WeakPolarHBondContact O-CB 3.35Å; H369-Y373 PolarHBondContact O-N 2.97Å |
| 370 | L | 97.1 | Very high | 93.8 | Very high | 87 Ų | 87 | 60.8 Ų | 60.8 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.8 | -37.6 | -177.8 | -175 | 63.8 | 0 | 0 | 0 | 112.3 | D366 A368 K374 | D366-L370 WeakPolarHBondContact O-CB 3.31Å; D366-L370 PolarHBondContact O-N 2.99Å; A368-L370 PolarHBondContact O-N 3.13Å; L370-K374 WeakPolarHBondContact O-CB 3.43Å; L370-K374 VanDerWaalsContact O-CG 3.31Å; L370-K374 WeakPolarHBondContact O-CG 3.4Å; L370-K374 PolarHBondContact O-N 3.29Å; L370-K374 VanDerWaalsContact O-N 3.07Å |
| 371 | K | 97.1 | Very high | 94.4 | Very high | 161 Ų | 161 | 63.7 Ų | 63.7 | 70% | 0.7 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.6 | -48.7 | 176.8 | -175.7 | 179.8 | 179.1 | -179.8 | 0 | 111.6 | S367 A368 H369 K374 A375 | S367-K371 WeakPolarHBondContact O-CB 3.36Å; S367-K371 PolarHBondContact O-N 3.01Å; S367-K371 VanDerWaalsContact O-N 3.15Å; A368-K371 PolarHBondContact O-N 3.29Å; H369-K371 VanDerWaalsContact C-N 3.28Å; H369-K371 PolarHBondContact O-N 3.06Å; K371-K374 PolarHBondContact O-N 3.42Å; K371-A375 PolarHBondContact O-N 2.85Å; K371-A375 VanDerWaalsContact O-N 3.11Å |
| 372 | I | 97.1 | Very high | 94.9 | Very high | 20 Ų | 20 | 64.2 Ų | 64.2 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.8 | -40.4 | -179.3 | -62.4 | 165.1 | 0 | 0 | 0 | 110.3 | Y345 A348 M349 I352 A368 H369 K374 A375 A376 | Y345-I372 HydrophobicContact CD2-CB 4.26Å; Y345-I372 HydrophobicContact CD2-CG2 3.52Å; Y345-I372 HydrophobicContact CE2-CB 4.44Å; Y345-I372 HydrophobicContact CE2-CG2 4.12Å; Y345-I372 HydrophobicContact CG-CG2 4.1Å; A348-I372 HydrophobicContact CB-CB 4.46Å; A348-I372 HydrophobicContact CB-CD1 3.61Å; A348-I372 HydrophobicContact CB-CG1 3.89Å; A348-I372 HydrophobicContact CB-CG2 3.66Å; M349-I372 HydrophobicContact CG-CD1 4.09Å; M349-I372 HydrophobicContact SD-CD1 3.65Å; I352-I372 HydrophobicContact CD1-CD1 3.67Å; A368-I372 VanDerWaalsContact O-CG1 3.31Å; A368-I372 WeakPolarHBondContact O-CG1 3.49Å; A368-I372 PolarHBondContact O-N 3.09Å; H369-I372 PolarHBondContact O-N 3.49Å; I372-K374 PolarHBondContact O-N 3.18Å; I372-A375 WeakPolarHBondContact O-CB 3.12Å; I372-A375 PolarHBondContact O-N 3.28Å; I372-A376 WeakPolarHBondContact O-CB 3.43Å; I372-A376 PolarHBondContact O-N 3.2Å |
| 373 | Y | 98 | Very high | 95.3 | Very high | 34 Ų | 34 | 63.4 Ų | 63.4 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -54.5 | -51.5 | 174.2 | 176.9 | -88 | 0 | 0 | 0 | 111.5 | H369 A375 A376 V377 K400 L403 K404 | H369-Y373 WeakPolarHBondContact O-CB 3.35Å; H369-Y373 PolarHBondContact O-N 2.97Å; Y373-A375 VanDerWaalsContact C-N 3.32Å; Y373-A375 PolarHBondContact O-N 3.39Å; Y373-A376 PolarHBondContact O-N 2.72Å; Y373-V377 HydrophobicContact CD1-CG2 4.35Å; Y373-V377 HydrophobicContact CE1-CG2 4Å; Y373-V377 WeakPolarHBondContact O-CG2 3.43Å; Y373-V377 PolarHBondContact O-N 3.11Å; Y373-K400 VanDerWaalsContact OH-CB 3.23Å; Y373-K400 WeakPolarHBondContact OH-CB 3.39Å; Y373-K400 VanDerWaalsContact OH-CG 3.26Å; Y373-K400 WeakPolarHBondContact OH-CG 3.48Å; Y373-L403 HydrophobicContact CD2-CB 3.63Å; Y373-L403 HydrophobicContact CD2-CD1 4.09Å; Y373-L403 HydrophobicContact CE2-CB 3.78Å; Y373-L403 HydrophobicContact CE2-CD1 4.34Å; Y373-K404 HydrophobicContact CE2-CG 4.12Å |
| 374 | K | 97.7 | Very high | 95.4 | Very high | 128 Ų | 128 | 64.7 Ų | 64.7 | 56% | 0.557 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.4 | -40.6 | 177.3 | -74.9 | 177.6 | -178.6 | -179.8 | 0 | 111.9 | L370 K371 I372 V377 Q378 | L370-K374 WeakPolarHBondContact O-CB 3.43Å; L370-K374 VanDerWaalsContact O-CG 3.31Å; L370-K374 WeakPolarHBondContact O-CG 3.4Å; L370-K374 PolarHBondContact O-N 3.29Å; L370-K374 VanDerWaalsContact O-N 3.07Å; K371-K374 PolarHBondContact O-N 3.42Å; I372-K374 PolarHBondContact O-N 3.18Å; K374-V377 PolarHBondContact O-N 3.47Å; K374-Q378 WeakPolarHBondContact O-CB 3.48Å; K374-Q378 PolarHBondContact O-N 2.91Å |
| 375 | A | 97.5 | Very high | 95.6 | Very high | 47 Ų | 47 | 62 Ų | 62 | 39% | 0.388 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K371 I372 Y373 Q378 K379 | K371-A375 PolarHBondContact O-N 2.85Å; K371-A375 VanDerWaalsContact O-N 3.11Å; I372-A375 WeakPolarHBondContact O-CB 3.12Å; I372-A375 PolarHBondContact O-N 3.28Å; Y373-A375 VanDerWaalsContact C-N 3.32Å; Y373-A375 PolarHBondContact O-N 3.39Å; A375-Q378 PolarHBondContact O-N 3.48Å; A375-K379 WeakPolarHBondContact O-CB 3.47Å; A375-K379 PolarHBondContact O-N 3.47Å |
| 376 | A | 97.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.008 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | C341 I372 Y373 K379 F380 L403 | C341-A376 HydrophobicContact CB-CB 4.43Å; C341-A376 PolarHBondContact SG-O 3.15Å; I372-A376 WeakPolarHBondContact O-CB 3.43Å; I372-A376 PolarHBondContact O-N 3.2Å; Y373-A376 PolarHBondContact O-N 2.72Å; A376-K379 WeakPolarHBondContact O-CB 3.36Å; A376-K379 PolarHBondContact O-N 2.98Å; A376-F380 PolarHBondContact O-N 2.76Å; A376-L403 HydrophobicContact CB-CD1 3.64Å |
| 377 | V | 97.5 | Very high | 95 | Very high | 23 Ų | 23 | 65.2 Ų | 65.2 | 14% | 0.139 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.4 | -44 | 174.3 | 167.6 | 0 | 0 | 0 | 0 | 111.4 | Y373 K374 K379 F380 N381 L396 K400 L403 | Y373-V377 HydrophobicContact CD1-CG2 4.35Å; Y373-V377 HydrophobicContact CE1-CG2 4Å; Y373-V377 WeakPolarHBondContact O-CG2 3.43Å; Y373-V377 PolarHBondContact O-N 3.11Å; K374-V377 PolarHBondContact O-N 3.47Å; V377-K379 VanDerWaalsContact C-N 3.33Å; V377-K379 PolarHBondContact O-N 3.25Å; V377-F380 PolarHBondContact O-N 3.28Å; V377-N381 PolarHBondContact O-N 3.07Å; V377-L396 HydrophobicContact CG1-CD1 4.16Å; V377-K400 HydrophobicContact CG2-CG 4.06Å; V377-L403 HydrophobicContact CG2-CD1 4.4Å |
| 378 | Q | 96.7 | Very high | 94.7 | Very high | 136 Ų | 136 | 63.7 Ų | 63.7 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 175.7 | -174 | 178.2 | 6.1 | 0 | 0 | 111.1 | K374 A375 F380 N381 T382 | K374-Q378 WeakPolarHBondContact O-CB 3.48Å; K374-Q378 PolarHBondContact O-N 2.91Å; A375-Q378 PolarHBondContact O-N 3.48Å; Q378-F380 VanDerWaalsContact C-N 3.34Å; Q378-F380 PolarHBondContact O-N 3.5Å; Q378-N381 PolarHBondContact O-N 3.15Å; Q378-T382 WeakPolarHBondContact O-CG2 3.35Å; Q378-T382 PolarHBondContact O-N 3.09Å |
| 379 | K | 96.4 | Very high | 94.5 | Very high | 83 Ų | 83 | 71.5 Ų | 71.5 | 36% | 0.361 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 177.1 | -178.2 | 61.4 | 177.7 | 176.9 | 0 | 111.1 | M344 A375 A376 V377 N381 T382 I383 | M344-K379 HydrophobicContact CE-CB 4.47Å; M344-K379 HydrophobicContact CE-CD 4.13Å; M344-K379 HydrophobicContact CE-CG 3.93Å; M344-K379 HydrophobicContact SD-CB 4.11Å; M344-K379 HydrophobicContact SD-CG 4.11Å; A375-K379 WeakPolarHBondContact O-CB 3.47Å; A375-K379 PolarHBondContact O-N 3.47Å; A376-K379 WeakPolarHBondContact O-CB 3.36Å; A376-K379 PolarHBondContact O-N 2.98Å; V377-K379 VanDerWaalsContact C-N 3.33Å; V377-K379 PolarHBondContact O-N 3.25Å; K379-N381 VanDerWaalsContact C-N 3.27Å; K379-N381 PolarHBondContact O-N 3.27Å; K379-T382 PolarHBondContact O-N 3.46Å; K379-T382 PolarHBondContact O-OG1 3.46Å; K379-I383 HydrophobicContact CG-CD1 4.36Å; K379-I383 WeakPolarHBondContact O-CG1 3.15Å; K379-I383 PolarHBondContact O-N 3.47Å |
| 380 | F | 97.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.009 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -53.5 | -44.4 | 177.5 | -176.9 | -91.7 | 0 | 0 | 0 | 112.4 | A337 I338 C341 A376 V377 Q378 T382 I383 K385 L396 L399 | A337-F380 HydrophobicContact CB-CD2 3.75Å; A337-F380 HydrophobicContact CB-CE2 3.65Å; I338-F380 HydrophobicContact CG1-CE2 3.87Å; C341-F380 PolarHBondContact SG-N 3.29Å; A376-F380 PolarHBondContact O-N 2.76Å; V377-F380 PolarHBondContact O-N 3.28Å; Q378-F380 VanDerWaalsContact C-N 3.34Å; Q378-F380 PolarHBondContact O-N 3.5Å; F380-T382 VanDerWaalsContact C-N 3.31Å; F380-T382 PolarHBondContact O-N 2.93Å; F380-I383 PolarHBondContact O-N 3.35Å; F380-K385 HydrophobicContact CE2-CD 4.49Å; F380-K385 HydrophobicContact CZ-CD 4.22Å; F380-K385 PolarHBondContact O-NZ 2.86Å; F380-L396 HydrophobicContact CD1-CB 4.2Å; F380-L396 HydrophobicContact CD1-CD1 3.75Å; F380-L396 HydrophobicContact CE1-CB 3.82Å; F380-L396 HydrophobicContact CE1-CD1 4.26Å; F380-L396 HydrophobicContact CG-CD1 4.38Å; F380-L399 HydrophobicContact CB-CD2 3.51Å; F380-L399 HydrophobicContact CD2-CD2 3.67Å; F380-L399 HydrophobicContact CG-CD2 3.67Å |
| 381 | N | 94.7 | Very high | 93.9 | Very high | 97 Ų | 97 | 73.3 Ų | 73.3 | 52% | 0.519 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68 | -29.5 | 179.8 | -67.9 | -22.6 | 0 | 0 | 0 | 112.9 | V377 Q378 K379 | V377-N381 PolarHBondContact O-N 3.07Å; Q378-N381 PolarHBondContact O-N 3.15Å; K379-N381 VanDerWaalsContact C-N 3.27Å; K379-N381 PolarHBondContact O-N 3.27Å |
| 382 | T | 94.9 | Very high | 93.7 | Very high | 88 Ų | 88 | 66.2 Ų | 66.2 | 54% | 0.54 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -80.6 | -16 | 177.9 | 62.7 | 0 | 0 | 0 | 0 | 114.5 | Q378 K379 F380 P384 | Q378-T382 WeakPolarHBondContact O-CG2 3.35Å; Q378-T382 PolarHBondContact O-N 3.09Å; K379-T382 PolarHBondContact O-N 3.46Å; K379-T382 PolarHBondContact O-OG1 3.46Å; F380-T382 VanDerWaalsContact C-N 3.31Å; F380-T382 PolarHBondContact O-N 2.93Å; T382-P384 WeakPolarHBondContact O-CD 3.44Å |
| 383 | I | 94.7 | Very high | 93.6 | Very high | 33 Ų | 33 | 67.5 Ų | 67.5 | 17% | 0.169 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -72.9 | 125 | 179.4 | -66.7 | 166.8 | 0 | 0 | 0 | 108.8 | A337 T340 K379 F380 K385 | A337-I383 HydrophobicContact CB-CB 4.31Å; A337-I383 HydrophobicContact CB-CD1 3.83Å; A337-I383 HydrophobicContact CB-CG2 4.03Å; T340-I383 HydrophobicContact CG2-CD1 4.45Å; K379-I383 HydrophobicContact CG-CD1 4.36Å; K379-I383 WeakPolarHBondContact O-CG1 3.15Å; K379-I383 PolarHBondContact O-N 3.47Å; F380-I383 PolarHBondContact O-N 3.35Å; I383-K385 HydrophobicContact CG2-CG 4.19Å; I383-K385 WeakPolarHBondContact O-CG 3.36Å; I383-K385 PolarHBondContact O-N 3.27Å; I383-K385 PolarHBondContact O-NZ 2.73Å |
| 384 | P | 93.2 | Very high | 93.4 | Very high | 121 Ų | 121 | 68.3 Ų | 68.3 | 79% | 0.786 | 41% | 0.407 | S | S | * | . | trans | -61.8 | 127.9 | 173.8 | -21.2 | 33 | 0 | 0 | 0 | 110.9 | T382 | T382-P384 WeakPolarHBondContact O-CD 3.44Š| ||
| 385 | K | 91.7 | Very high | 93.4 | Very high | 43 Ų | 43 | 63.7 Ų | 63.7 | 19% | 0.187 | 39% | 0.386 | C | S | . | . | trans | -141.5 | 143.2 | -177.6 | -62.8 | 174.7 | -59.1 | -66.6 | 0 | 109.7 | N333 N334 A337 F380 I383 S392 | N333-K385 HydrophobicContact CB-CB 4.17Å; N333-K385 HydrophobicContact CB-CG 4.21Å; N334-K385 WeakPolarHBondContact OD1-CD 3.11Å; A337-K385 HydrophobicContact CB-CD 3.83Å; F380-K385 HydrophobicContact CE2-CD 4.49Å; F380-K385 HydrophobicContact CZ-CD 4.22Å; F380-K385 PolarHBondContact O-NZ 2.86Å; I383-K385 HydrophobicContact CG2-CG 4.19Å; I383-K385 WeakPolarHBondContact O-CG 3.36Å; I383-K385 PolarHBondContact O-N 3.27Å; I383-K385 PolarHBondContact O-NZ 2.73Å; K385-S392 WeakPolarHBondContact CE-OG 3.49Å | ||
| 386 | M | 86.5 | Confident | 93.3 | Very high | 99 Ų | 99 | 62.7 Ų | 62.7 | 49% | 0.488 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 162.9 | 170.5 | -65.4 | -167.8 | 178.5 | 0 | 0 | 112 | T329 A330 N333 | T329-M386 HydrophobicContact CG2-CE 4.22Å; T329-M386 HydrophobicContact CG2-CG 4.32Å; T329-M386 HydrophobicContact CG2-SD 3.45Å; T329-M386 WeakPolarHBondContact CG2-SD 3.41Å; A330-M386 HydrophobicContact CB-CB 4.1Å; A330-M386 VanDerWaalsContact CB-O 3.29Å; A330-M386 WeakPolarHBondContact CB-O 3.34Å; N333-M386 PolarHBondContact OD1-N 2.91Å |
| 387 | G | 84.1 | Confident | 93.3 | Very high | 38 Ų | 38 | 67.7 Ų | 67.7 | 39% | 0.392 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -14.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | F391 | G387-F391 WeakPolarHBondContact O-CB 3.33Š|
| 388 | G | 89.2 | Confident | 93.2 | Very high | 43 Ų | 43 | 73.4 Ų | 73.4 | 44% | 0.443 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | 78.5 | 173.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A390 F391 S392 | G388-A390 VanDerWaalsContact C-N 3.33Å; G388-A390 PolarHBondContact O-N 2.96Å; G388-F391 PolarHBondContact O-N 2.8Å; G388-S392 PolarHBondContact O-N 2.9Å; G388-S392 VanDerWaalsContact O-N 3.13Å |
| 389 | E | 89.7 | Confident | 93.3 | Very high | 181 Ų | 181 | 67 Ų | 67 | 85% | 0.846 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.8 | -36.4 | -171.7 | -64.3 | -173.6 | 168 | 0 | 0 | 113.3 | F391 S392 A393 | E389-F391 VanDerWaalsContact C-N 3.33Å; E389-F391 PolarHBondContact O-N 3.38Å; E389-S392 CarbonylContact O-C 3.58Å; E389-S392 PolarHBondContact O-N 3.15Å; E389-A393 PolarHBondContact O-N 2.99Å |
| 390 | A | 91.3 | Very high | 93.4 | Very high | 94 Ų | 94 | 65.5 Ų | 65.5 | 78% | 0.777 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.7 | -40.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G388 A393 | G388-A390 VanDerWaalsContact C-N 3.33Å; G388-A390 PolarHBondContact O-N 2.96Å; A390-A393 WeakPolarHBondContact O-CB 3.5Å; A390-A393 PolarHBondContact O-N 3.17Å |
| 391 | F | 89.1 | Confident | 93.4 | Very high | 67 Ų | 67 | 72.3 Ų | 72.3 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.2 | -41.9 | 175.1 | -171.3 | -88 | 0 | 0 | 0 | 111.1 | A330 E331 G387 G388 E389 A393 Y395 | A330-F391 HydrophobicContact CB-CD1 3.84Å; A330-F391 HydrophobicContact CB-CE1 3.56Å; A330-F391 HydrophobicContact CB-CZ 4.03Å; E331-F391 HydrophobicContact CB-CZ 4.48Å; G387-F391 WeakPolarHBondContact O-CB 3.33Å; G388-F391 PolarHBondContact O-N 2.8Å; E389-F391 VanDerWaalsContact C-N 3.33Å; E389-F391 PolarHBondContact O-N 3.38Å; F391-A393 VanDerWaalsContact C-N 3.27Å; F391-A393 PolarHBondContact O-N 3.43Å; F391-Y395 HydrophobicContact CD1-CD2 4.44Å; F391-Y395 HydrophobicContact CD1-CE2 4.04Å; F391-Y395 HydrophobicContact CE1-CD2 4.29Å; F391-Y395 AromaticContact CE1-CE2 3.5Å; F391-Y395 HydrophobicContact CE1-CE2 3.5Å; F391-Y395 VanDerWaalsContact CE1-CE2 3.5Å; F391-Y395 HydrophobicContact CZ-CE2 4.08Å |
| 392 | S | 93.6 | Very high | 93.5 | Very high | 12 Ų | 12 | 69.7 Ų | 69.7 | 8% | 0.084 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.3 | -18.5 | 177.9 | -75.5 | 0 | 0 | 0 | 0 | 114.8 | N334 K385 G388 E389 G394 Y395 L396 | N334-S392 PolarHBondContact ND2-OG 3.36Å; N334-S392 WeakPolarHBondContact OD1-CA 3.48Å; N334-S392 VanDerWaalsContact OD1-CB 3.31Å; N334-S392 WeakPolarHBondContact OD1-CB 3.38Å; N334-S392 PolarHBondContact OD1-OG 2.88Å; K385-S392 WeakPolarHBondContact CE-OG 3.49Å; G388-S392 PolarHBondContact O-N 2.9Å; G388-S392 VanDerWaalsContact O-N 3.13Å; E389-S392 CarbonylContact O-C 3.58Å; E389-S392 PolarHBondContact O-N 3.15Å; S392-G394 PolarHBondContact O-N 3.31Å; S392-Y395 PolarHBondContact O-N 3.49Å; S392-L396 WeakPolarHBondContact O-CB 3.42Å; S392-L396 PolarHBondContact O-N 3.02Å |
| 393 | A | 95 | Very high | 93.6 | Very high | 48 Ų | 48 | 65.5 Ų | 65.5 | 40% | 0.397 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E389 A390 F391 L396 E397 | E389-A393 PolarHBondContact O-N 2.99Å; A390-A393 WeakPolarHBondContact O-CB 3.5Å; A390-A393 PolarHBondContact O-N 3.17Å; F391-A393 VanDerWaalsContact C-N 3.27Å; F391-A393 PolarHBondContact O-N 3.43Å; A393-L396 WeakPolarHBondContact O-CB 3.37Å; A393-L396 PolarHBondContact O-N 2.83Å; A393-E397 PolarHBondContact O-N 2.94Å; A393-E397 VanDerWaalsContact O-N 3.09Å |
| 394 | G | 94.1 | Very high | 93.7 | Very high | 51 Ų | 51 | 69.9 Ų | 69.9 | 53% | 0.526 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S392 E397 R398 | S392-G394 PolarHBondContact O-N 3.31Å; G394-E397 PolarHBondContact O-N 2.99Å; G394-R398 PolarHBondContact O-N 2.98Å; G394-R398 VanDerWaalsContact O-N 3.08Å |
| 395 | Y | 95.8 | Very high | 93.9 | Very high | 30 Ų | 30 | 69.8 Ų | 69.8 | 12% | 0.118 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.4 | -33.5 | 176.5 | -67.8 | -88.3 | 0 | 0 | 0 | 112.3 | E331 N334 L335 I338 F391 S392 R398 L399 | E331-Y395 WeakPolarHBondContact CB-OH 3.31Å; E331-Y395 HydrophobicContact CG-CE1 4.45Å; E331-Y395 VanDerWaalsContact CG-OH 3.25Å; E331-Y395 WeakPolarHBondContact CG-OH 3.32Å; E331-Y395 PolarHBondContact OE1-OH 3.08Å; N334-Y395 HydrophobicContact CB-CD1 3.69Å; N334-Y395 HydrophobicContact CB-CD2 3.68Å; N334-Y395 HydrophobicContact CB-CE1 4.1Å; N334-Y395 HydrophobicContact CB-CE2 4.09Å; N334-Y395 HydrophobicContact CB-CG 3.47Å; N334-Y395 VanDerWaalsContact CB-CG 3.47Å; L335-Y395 HydrophobicContact CD2-CD1 4.22Å; L335-Y395 HydrophobicContact CD2-CE1 3.9Å; L335-Y395 HydrophobicContact CG-CE1 4.07Å; I338-Y395 HydrophobicContact CD1-CD1 3.95Å; F391-Y395 HydrophobicContact CD1-CD2 4.44Å; F391-Y395 HydrophobicContact CD1-CE2 4.04Å; F391-Y395 HydrophobicContact CE1-CD2 4.29Å; F391-Y395 AromaticContact CE1-CE2 3.5Å; F391-Y395 HydrophobicContact CE1-CE2 3.5Å; F391-Y395 VanDerWaalsContact CE1-CE2 3.5Å; F391-Y395 HydrophobicContact CZ-CE2 4.08Å; S392-Y395 PolarHBondContact O-N 3.49Å; Y395-R398 PolarHBondContact O-N 3.22Å; Y395-L399 PolarHBondContact O-N 2.82Å |
| 396 | L | 96.7 | Very high | 94.1 | Very high | 26 Ų | 26 | 69.7 Ų | 69.7 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 173.4 | 176.2 | 60 | 0 | 0 | 0 | 111.5 | V377 F380 S392 A393 R398 L399 K400 | V377-L396 HydrophobicContact CG1-CD1 4.16Å; F380-L396 HydrophobicContact CD1-CB 4.2Å; F380-L396 HydrophobicContact CD1-CD1 3.75Å; F380-L396 HydrophobicContact CE1-CB 3.82Å; F380-L396 HydrophobicContact CE1-CD1 4.26Å; F380-L396 HydrophobicContact CG-CD1 4.38Å; S392-L396 WeakPolarHBondContact O-CB 3.42Å; S392-L396 PolarHBondContact O-N 3.02Å; A393-L396 WeakPolarHBondContact O-CB 3.37Å; A393-L396 PolarHBondContact O-N 2.83Å; L396-R398 VanDerWaalsContact C-N 3.35Å; L396-L399 WeakPolarHBondContact O-CB 3.41Å; L396-L399 PolarHBondContact O-N 3.44Å; L396-K400 WeakPolarHBondContact O-CG 3.27Å; L396-K400 PolarHBondContact O-N 2.81Å |
| 397 | E | 97 | Very high | 94.5 | Very high | 106 Ų | 106 | 65.4 Ų | 65.4 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 175.2 | -68.2 | -50.9 | 123.3 | 0 | 0 | 111.7 | A393 G394 L399 K400 E401 | A393-E397 PolarHBondContact O-N 2.94Å; A393-E397 VanDerWaalsContact O-N 3.09Å; G394-E397 PolarHBondContact O-N 2.99Å; E397-L399 VanDerWaalsContact C-N 3.34Å; E397-L399 PolarHBondContact O-N 3.39Å; E397-K400 WeakPolarHBondContact O-CB 3.41Å; E397-K400 PolarHBondContact O-N 3.26Å; E397-K400 VanDerWaalsContact O-N 3.17Å; E397-K400 IonicContact OE1-NZ 3.05Å; E397-K400 PolarHBondContact OE1-NZ 2.9Å; E397-K400 IonicContact OE2-NZ 3.87Å; E397-E401 PolarHBondContact O-N 2.88Å |
| 398 | R | 96.3 | Very high | 95.1 | Very high | 144 Ų | 144 | 68.1 Ų | 68.1 | 54% | 0.543 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 173.4 | -175.4 | 177.6 | 178.3 | 178.5 | 0.1 | 112.7 | I338 G394 Y395 L396 E401 T402 | I338-R398 HydrophobicContact CD1-CB 4.45Å; I338-R398 HydrophobicContact CD1-CG 4.41Å; G394-R398 PolarHBondContact O-N 2.98Å; G394-R398 VanDerWaalsContact O-N 3.08Å; Y395-R398 PolarHBondContact O-N 3.22Å; L396-R398 VanDerWaalsContact C-N 3.35Å; R398-E401 PolarHBondContact O-N 2.91Å; R398-T402 PolarHBondContact O-N 3.16Å; R398-T402 PolarHBondContact O-OG1 3.02Å |
| 399 | L | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.5 | -50.7 | 173.7 | 175.6 | 63.6 | 0 | 0 | 0 | 110.5 | I338 C341 Q342 F380 Y395 L396 E397 E401 T402 L403 | I338-L399 HydrophobicContact CG1-CB 4.26Å; I338-L399 HydrophobicContact CG2-CD1 4.29Å; C341-L399 HydrophobicContact CB-CD1 3.83Å; C341-L399 HydrophobicContact CB-CD2 3.9Å; Q342-L399 HydrophobicContact CG-CD1 4.19Å; F380-L399 HydrophobicContact CB-CD2 3.51Å; F380-L399 HydrophobicContact CD2-CD2 3.67Å; F380-L399 HydrophobicContact CG-CD2 3.67Å; Y395-L399 PolarHBondContact O-N 2.82Å; L396-L399 WeakPolarHBondContact O-CB 3.41Å; L396-L399 PolarHBondContact O-N 3.44Å; E397-L399 VanDerWaalsContact C-N 3.34Å; E397-L399 PolarHBondContact O-N 3.39Å; L399-E401 VanDerWaalsContact C-N 3.29Å; L399-E401 PolarHBondContact O-N 3.45Å; L399-T402 PolarHBondContact O-N 3.47Å; L399-T402 VanDerWaalsContact O-N 3.15Å; L399-L403 HydrophobicContact CD1-CD1 3.97Å; L399-L403 HydrophobicContact CD1-CD2 4.14Å; L399-L403 HydrophobicContact CD1-CG 3.84Å; L399-L403 HydrophobicContact CG-CD1 3.95Å; L399-L403 HydrophobicContact CG-CG 4.19Å; L399-L403 VanDerWaalsContact O-CG 3.31Å; L399-L403 WeakPolarHBondContact O-CG 3.38Å; L399-L403 PolarHBondContact O-N 3.18Å |
| 400 | K | 98 | Very high | 95.5 | Very high | 53 Ų | 53 | 62.4 Ų | 62.4 | 23% | 0.23 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.5 | -42.9 | -179.3 | -74.3 | 177.3 | -175.6 | 166.9 | 0 | 112 | Y373 V377 L396 E397 K404 | Y373-K400 VanDerWaalsContact OH-CB 3.23Å; Y373-K400 WeakPolarHBondContact OH-CB 3.39Å; Y373-K400 VanDerWaalsContact OH-CG 3.26Å; Y373-K400 WeakPolarHBondContact OH-CG 3.48Å; V377-K400 HydrophobicContact CG2-CG 4.06Å; L396-K400 WeakPolarHBondContact O-CG 3.27Å; L396-K400 PolarHBondContact O-N 2.81Å; E397-K400 WeakPolarHBondContact O-CB 3.41Å; E397-K400 PolarHBondContact O-N 3.26Å; E397-K400 VanDerWaalsContact O-N 3.17Å; E397-K400 IonicContact OE1-NZ 3.05Å; E397-K400 PolarHBondContact OE1-NZ 2.9Å; E397-K400 IonicContact OE2-NZ 3.87Å; K400-K404 WeakPolarHBondContact O-CG 3.32Å; K400-K404 PolarHBondContact O-N 3Å; K400-K404 VanDerWaalsContact O-N 3.16Å |
| 401 | E | 97.6 | Very high | 95.5 | Very high | 145 Ų | 145 | 63 Ų | 63 | 68% | 0.678 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.3 | -44 | 177.2 | -169.6 | 165.9 | -149.2 | 0 | 0 | 111.6 | E397 R398 L399 L403 K404 Q405 | E397-E401 PolarHBondContact O-N 2.88Å; R398-E401 PolarHBondContact O-N 2.91Å; L399-E401 VanDerWaalsContact C-N 3.29Å; L399-E401 PolarHBondContact O-N 3.45Å; E401-L403 PolarHBondContact O-N 3.3Å; E401-K404 WeakPolarHBondContact O-CB 3.32Å; E401-K404 PolarHBondContact O-N 2.87Å; E401-Q405 PolarHBondContact O-N 3.28Å |
| 402 | T | 96.7 | Very high | 95.6 | Very high | 41 Ų | 41 | 64.9 Ų | 64.9 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 177.6 | -47.8 | 0 | 0 | 0 | 0 | 112.3 | Q342 R398 L399 K404 Q405 L406 | Q342-T402 HydrophobicContact CG-CG2 4.32Å; R398-T402 PolarHBondContact O-N 3.16Å; R398-T402 PolarHBondContact O-OG1 3.02Å; L399-T402 PolarHBondContact O-N 3.47Å; L399-T402 VanDerWaalsContact O-N 3.15Å; T402-K404 VanDerWaalsContact C-N 3.33Å; T402-K404 PolarHBondContact O-N 3.35Å; T402-Q405 PolarHBondContact O-N 2.79Å; T402-L406 HydrophobicContact CG2-CD1 4.41Å; T402-L406 WeakPolarHBondContact O-CG 3.21Å; T402-L406 PolarHBondContact O-N 3.23Å |
| 403 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.3 | -33.3 | 178.6 | -64.8 | -178.4 | 0 | 0 | 0 | 112.4 | Q342 Y345 Y373 A376 V377 L399 E401 L406 G407 | Q342-L403 HydrophobicContact CG-CD2 4.43Å; Y345-L403 HydrophobicContact CD1-CD2 4.03Å; Y345-L403 HydrophobicContact CD2-CD2 3.89Å; Y345-L403 HydrophobicContact CG-CD2 3.57Å; Y373-L403 HydrophobicContact CD2-CB 3.63Å; Y373-L403 HydrophobicContact CD2-CD1 4.09Å; Y373-L403 HydrophobicContact CE2-CB 3.78Å; Y373-L403 HydrophobicContact CE2-CD1 4.34Å; A376-L403 HydrophobicContact CB-CD1 3.64Å; V377-L403 HydrophobicContact CG2-CD1 4.4Å; L399-L403 HydrophobicContact CD1-CD1 3.97Å; L399-L403 HydrophobicContact CD1-CD2 4.14Å; L399-L403 HydrophobicContact CD1-CG 3.84Å; L399-L403 HydrophobicContact CG-CD1 3.95Å; L399-L403 HydrophobicContact CG-CG 4.19Å; L399-L403 VanDerWaalsContact O-CG 3.31Å; L399-L403 WeakPolarHBondContact O-CG 3.38Å; L399-L403 PolarHBondContact O-N 3.18Å; E401-L403 PolarHBondContact O-N 3.3Å; L403-L406 HydrophobicContact CD2-CD1 4.36Å; L403-G407 PolarHBondContact O-N 2.87Å |
| 404 | K | 97.1 | Very high | 94.9 | Very high | 126 Ų | 126 | 65 Ų | 65 | 55% | 0.548 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 172.4 | -74.9 | 172.9 | -179.6 | 178.4 | 0 | 110.8 | Y373 K400 E401 T402 L406 G407 E408 | Y373-K404 HydrophobicContact CE2-CG 4.12Å; K400-K404 WeakPolarHBondContact O-CG 3.32Å; K400-K404 PolarHBondContact O-N 3Å; K400-K404 VanDerWaalsContact O-N 3.16Å; E401-K404 WeakPolarHBondContact O-CB 3.32Å; E401-K404 PolarHBondContact O-N 2.87Å; T402-K404 VanDerWaalsContact C-N 3.33Å; T402-K404 PolarHBondContact O-N 3.35Å; K404-L406 PolarHBondContact O-N 2.99Å; K404-G407 WeakPolarHBondContact O-CA 3.39Å; K404-G407 PolarHBondContact O-N 3.1Å; K404-G407 VanDerWaalsContact O-N 3.09Å; K404-E408 PolarHBondContact O-N 3.49Å |
| 405 | Q | 96.8 | Very high | 94.4 | Very high | 119 Ų | 119 | 64.5 Ų | 64.5 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.1 | -48.3 | 177.2 | -171 | 66.8 | 27.9 | 0 | 0 | 111.5 | E401 T402 G407 E408 D409 | E401-Q405 PolarHBondContact O-N 3.28Å; T402-Q405 PolarHBondContact O-N 2.79Å; Q405-G407 PolarHBondContact O-N 3.12Å; Q405-E408 PolarHBondContact O-N 3.44Å; Q405-E408 VanDerWaalsContact O-N 3.13Å; Q405-D409 PolarHBondContact O-N 2.83Å |
| 406 | L | 96.2 | Very high | 93.7 | Very high | 41 Ų | 41 | 69 Ų | 69 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.7 | -36 | 175.3 | -70.9 | 170.8 | 0 | 0 | 0 | 111.9 | Y345 T402 L403 K404 D409 Y410 | Y345-L406 HydrophobicContact CD1-CB 4.13Å; Y345-L406 HydrophobicContact CD1-CD1 3.94Å; Y345-L406 HydrophobicContact CE1-CB 3.54Å; Y345-L406 HydrophobicContact CE1-CD1 4.23Å; T402-L406 HydrophobicContact CG2-CD1 4.41Å; T402-L406 WeakPolarHBondContact O-CG 3.21Å; T402-L406 PolarHBondContact O-N 3.23Å; L403-L406 HydrophobicContact CD2-CD1 4.36Å; K404-L406 PolarHBondContact O-N 2.99Å; L406-D409 PolarHBondContact O-N 2.91Å; L406-Y410 WeakPolarHBondContact O-CD2 3.32Å; L406-Y410 PolarHBondContact O-N 2.76Å |
| 407 | G | 95.7 | Very high | 92.7 | Very high | 9 Ų | 9 | 69.6 Ų | 69.6 | 9% | 0.093 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.1 | -47.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y345 L403 K404 Q405 D409 Y410 R411 | Y345-G407 WeakPolarHBondContact OH-CA 3.47Å; Y345-G407 PolarHBondContact OH-N 3.22Å; L403-G407 PolarHBondContact O-N 2.87Å; K404-G407 WeakPolarHBondContact O-CA 3.39Å; K404-G407 PolarHBondContact O-N 3.1Å; K404-G407 VanDerWaalsContact O-N 3.09Å; Q405-G407 PolarHBondContact O-N 3.12Å; G407-D409 VanDerWaalsContact C-N 3.34Å; G407-D409 PolarHBondContact O-N 3.28Å; G407-Y410 PolarHBondContact O-N 2.87Å; G407-R411 PolarHBondContact O-N 2.91Å |
| 408 | E | 95.2 | Very high | 91.4 | Very high | 94 Ų | 94 | 67.3 Ų | 67.3 | 44% | 0.439 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 175.8 | -69.1 | -59.5 | 153.6 | 0 | 0 | 112.1 | K404 Q405 Y410 R411 M412 | K404-E408 PolarHBondContact O-N 3.49Å; Q405-E408 PolarHBondContact O-N 3.44Å; Q405-E408 VanDerWaalsContact O-N 3.13Å; E408-Y410 VanDerWaalsContact C-N 3.34Å; E408-Y410 PolarHBondContact O-N 3.29Å; E408-R411 WeakPolarHBondContact O-CB 3.27Å; E408-R411 PolarHBondContact O-N 3Å; E408-R411 VanDerWaalsContact O-N 3.17Å; E408-R411 IonicContact OE1-NH1 2.97Å; E408-R411 IonicContact OE2-NH1 2.73Å; E408-M412 WeakPolarHBondContact O-CB 3.46Å; E408-M412 WeakPolarHBondContact O-CG 3.34Å; E408-M412 PolarHBondContact O-N 3.48Å |
| 409 | D | 94.5 | Very high | 89.9 | Confident | 76 Ų | 76 | 65 Ų | 65 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 176.2 | -66.4 | -25.7 | 0 | 0 | 0 | 112 | Q405 L406 G407 S413 | Q405-D409 PolarHBondContact O-N 2.83Å; L406-D409 PolarHBondContact O-N 2.91Å; G407-D409 VanDerWaalsContact C-N 3.34Å; G407-D409 PolarHBondContact O-N 3.28Å; D409-S413 WeakPolarHBondContact O-CB 3.09Å; D409-S413 PolarHBondContact O-N 3.34Å; D409-S413 PolarHBondContact O-OG 3.33Å |
| 410 | Y | 94 | Very high | 88.2 | Confident | 28 Ų | 28 | 73 Ų | 73 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 173.4 | -83 | -64 | 0 | 0 | 0 | 112.3 | Y345 S346 M349 N350 C353 L406 G407 E408 S413 N414 | Y345-Y410 HydrophobicContact CE1-CD2 4.06Å; Y345-Y410 AromaticContact CE1-CE2 3.95Å; Y345-Y410 HydrophobicContact CE1-CE2 3.95Å; S346-Y410 PolarHBondContact O-OH 3.18Å; S346-Y410 VanDerWaalsContact O-OH 3.12Å; M349-Y410 HydrophobicContact CB-CD1 4.17Å; M349-Y410 HydrophobicContact CB-CD2 3.61Å; M349-Y410 HydrophobicContact CB-CE1 3.88Å; M349-Y410 HydrophobicContact CB-CE2 3.29Å; M349-Y410 HydrophobicContact CB-CG 4.06Å; M349-Y410 VanDerWaalsContact CB-CZ 3.44Å; M349-Y410 HydrophobicContact CE-CD1 4.46Å; M349-Y410 HydrophobicContact CE-CD2 3.76Å; M349-Y410 HydrophobicContact CE-CG 3.68Å; M349-Y410 HydrophobicContact CG-CD2 3.83Å; M349-Y410 HydrophobicContact CG-CE2 3.83Å; M349-Y410 HydrophobicContact CG-CG 4.49Å; N350-Y410 PolarHBondContact ND2-OH 3.31Å; N350-Y410 VanDerWaalsContact OD1-CE1 3.27Å; N350-Y410 WeakPolarHBondContact OD1-CE1 3.41Å; N350-Y410 PolarHBondContact OD1-OH 3.29Å; C353-Y410 VanDerWaalsContact SG-CD1 3.52Å; L406-Y410 WeakPolarHBondContact O-CD2 3.32Å; L406-Y410 PolarHBondContact O-N 2.76Å; G407-Y410 PolarHBondContact O-N 2.87Å; E408-Y410 VanDerWaalsContact C-N 3.34Å; E408-Y410 PolarHBondContact O-N 3.29Å; Y410-S413 PolarHBondContact O-N 3.12Å; Y410-N414 VanDerWaalsContact O-CB 3.32Å; Y410-N414 WeakPolarHBondContact O-CB 3.5Å; Y410-N414 PolarHBondContact O-N 3.03Å |
| 411 | R | 91.2 | Very high | 86.5 | Confident | 106 Ų | 106 | 75.7 Ų | 75.7 | 40% | 0.4 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 176.4 | -168.7 | -177.4 | -169.1 | -171.2 | 6.8 | 111.8 | L365 G407 E408 N414 S415 | L365-R411 HydrophobicContact CD2-CB 4.44Å; G407-R411 PolarHBondContact O-N 2.91Å; E408-R411 WeakPolarHBondContact O-CB 3.27Å; E408-R411 PolarHBondContact O-N 3Å; E408-R411 VanDerWaalsContact O-N 3.17Å; E408-R411 IonicContact OE1-NH1 2.97Å; E408-R411 IonicContact OE2-NH1 2.73Å; R411-N414 PolarHBondContact O-N 2.82Å; R411-S415 PolarHBondContact O-N 3.4Å |
| 412 | M | 90.8 | Very high | 85 | Confident | 107 Ų | 107 | 71.7 Ų | 71.7 | 53% | 0.527 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 175.8 | -72.6 | -60.3 | -65.1 | 0 | 0 | 112.4 | E408 N414 S415 K416 | E408-M412 WeakPolarHBondContact O-CB 3.46Å; E408-M412 WeakPolarHBondContact O-CG 3.34Å; E408-M412 PolarHBondContact O-N 3.48Å; M412-N414 VanDerWaalsContact C-N 3.33Å; M412-S415 PolarHBondContact O-OG 2.77Å; M412-K416 WeakPolarHBondContact O-CG 3.47Å; M412-K416 PolarHBondContact O-N 2.93Å |
| 413 | S | 88.3 | Confident | 83.8 | Confident | 59 Ų | 59 | 76.6 Ų | 76.6 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68 | -35.4 | 175 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | D409 Y410 | D409-S413 WeakPolarHBondContact O-CB 3.09Å; D409-S413 PolarHBondContact O-N 3.34Å; D409-S413 PolarHBondContact O-OG 3.33Å; Y410-S413 PolarHBondContact O-N 3.12Å |
| 414 | N | 85.7 | Confident | 82.8 | Confident | 3 Ų | 3 | 81 Ų | 81 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -72.1 | -42.1 | 176.2 | -173.7 | 64.3 | 0 | 0 | 0 | 112 | Y359 I360 L365 Y410 R411 M412 K416 K417 | Y359-N414 WeakPolarHBondContact CD2-O 3.31Å; I360-N414 PolarHBondContact N-OD1 3.33Å; I360-N414 PolarHBondContact O-ND2 3.31Å; L365-N414 HydrophobicContact CD2-CB 3.75Å; Y410-N414 VanDerWaalsContact O-CB 3.32Å; Y410-N414 WeakPolarHBondContact O-CB 3.5Å; Y410-N414 PolarHBondContact O-N 3.03Å; R411-N414 PolarHBondContact O-N 2.82Å; M412-N414 VanDerWaalsContact C-N 3.33Å; N414-K416 VanDerWaalsContact C-N 3.28Å; N414-K416 PolarHBondContact O-N 3.13Å; N414-K417 VanDerWaalsContact O-CB 3.32Å; N414-K417 WeakPolarHBondContact O-CB 3.3Å; N414-K417 PolarHBondContact O-N 2.97Å |
| 415 | S | 82.4 | Confident | 82.1 | Confident | 42 Ų | 42 | 75.1 Ų | 75.1 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.6 | -33.8 | 178.5 | 68.4 | 0 | 0 | 0 | 0 | 112.9 | R411 M412 K417 D418 I419 | R411-S415 PolarHBondContact O-N 3.4Å; M412-S415 PolarHBondContact O-OG 2.77Å; S415-K417 PolarHBondContact O-N 3.06Å; S415-D418 WeakPolarHBondContact O-CB 3.42Å; S415-D418 PolarHBondContact O-N 2.7Å; S415-I419 PolarHBondContact O-N 2.9Å |
| 416 | K | 82 | Confident | 81.6 | Confident | 125 Ų | 125 | 70.6 Ų | 70.6 | 54% | 0.543 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.3 | -36.1 | 172 | -73.4 | 173.7 | -176.3 | 176.7 | 0 | 112.3 | M412 N414 D418 I419 F420 | M412-K416 WeakPolarHBondContact O-CG 3.47Å; M412-K416 PolarHBondContact O-N 2.93Å; N414-K416 VanDerWaalsContact C-N 3.28Å; N414-K416 PolarHBondContact O-N 3.13Å; K416-D418 VanDerWaalsContact C-N 3.32Å; K416-D418 PolarHBondContact O-N 2.89Å; K416-I419 PolarHBondContact O-N 3.22Å; K416-F420 VanDerWaalsContact O-CD2 3.23Å; K416-F420 WeakPolarHBondContact O-CD2 3.49Å; K416-F420 PolarHBondContact O-N 2.87Å |
| 417 | K | 75.7 | Confident | 81.1 | Confident | 38 Ų | 38 | 71.1 Ų | 71.1 | 17% | 0.165 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.7 | -34.6 | 178.9 | -60.8 | 175.6 | -178.3 | 175.6 | 0 | 112.2 | C353 G354 R357 N414 S415 Q421 | C353-K417 PolarHBondContact O-NZ 2.73Å; G354-K417 PolarHBondContact O-NZ 3.2Å; R357-K417 WeakPolarHBondContact O-CE 3.31Å; R357-K417 PolarHBondContact O-NZ 3.47Å; N414-K417 VanDerWaalsContact O-CB 3.32Å; N414-K417 WeakPolarHBondContact O-CB 3.3Å; N414-K417 PolarHBondContact O-N 2.97Å; S415-K417 PolarHBondContact O-N 3.06Å; K417-Q421 WeakPolarHBondContact O-CG 3.37Å; K417-Q421 PolarHBondContact O-N 2.78Å |
| 418 | D | 70.9 | Confident | 80.7 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 31% | 0.31 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.3 | -53.9 | 175.8 | -158.9 | -4.5 | 0 | 0 | 0 | 110.3 | Y359 S415 K416 F420 Q421 T422 | Y359-D418 HydrophobicContact CD2-CB 3.75Å; Y359-D418 HydrophobicContact CE2-CB 3.5Å; Y359-D418 HydrophobicContact CG-CB 4.48Å; Y359-D418 PolarHBondContact OH-OD2 3.15Å; S415-D418 WeakPolarHBondContact O-CB 3.42Å; S415-D418 PolarHBondContact O-N 2.7Å; K416-D418 VanDerWaalsContact C-N 3.32Å; K416-D418 PolarHBondContact O-N 2.89Å; D418-F420 VanDerWaalsContact C-N 3.27Å; D418-F420 PolarHBondContact O-N 2.84Å; D418-Q421 CarbonylContact O-C 3.58Å; D418-Q421 WeakPolarHBondContact O-CA 3.33Å; D418-Q421 WeakPolarHBondContact O-CB 3.49Å; D418-Q421 PolarHBondContact O-N 2.88Å; D418-T422 PolarHBondContact O-N 3.2Å; D418-T422 PolarHBondContact O-OG1 3.48Å |
| 419 | I | 63.6 | Low | 80.3 | Confident | 95 Ų | 95 | 67.5 Ų | 67.5 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.2 | -44.2 | -178.6 | -61.8 | 167.2 | 0 | 0 | 0 | 110.9 | S415 K416 Q421 T422 F423 | S415-I419 PolarHBondContact O-N 2.9Å; K416-I419 PolarHBondContact O-N 3.22Å; I419-Q421 VanDerWaalsContact C-N 3.33Å; I419-Q421 PolarHBondContact O-N 3.41Å; I419-T422 PolarHBondContact O-N 3.21Å; I419-F423 HydrophobicContact CG2-CD2 3.93Å; I419-F423 HydrophobicContact CG2-CE2 4.06Å; I419-F423 WeakPolarHBondContact O-CD2 3.43Å; I419-F423 PolarHBondContact O-N 3.34Å |
| 420 | F | 62.4 | Low | 80.1 | Confident | 168 Ų | 168 | 66.2 Ų | 66.2 | 74% | 0.737 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.5 | -34.4 | 176.9 | -85.6 | -70.9 | 0 | 0 | 0 | 113.3 | K416 D418 | K416-F420 VanDerWaalsContact O-CD2 3.23Å; K416-F420 WeakPolarHBondContact O-CD2 3.49Å; K416-F420 PolarHBondContact O-N 2.87Å; D418-F420 VanDerWaalsContact C-N 3.27Å; D418-F420 PolarHBondContact O-N 2.84Å |
| 421 | Q | 62 | Low | 79.9 | Confident | 109 Ų | 109 | 68 Ų | 68 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -73.7 | -43 | 175.2 | -72.4 | -169.7 | -2 | 0 | 0 | 111.8 | K417 D418 I419 F423 R424 | K417-Q421 WeakPolarHBondContact O-CG 3.37Å; K417-Q421 PolarHBondContact O-N 2.78Å; D418-Q421 CarbonylContact O-C 3.58Å; D418-Q421 WeakPolarHBondContact O-CA 3.33Å; D418-Q421 WeakPolarHBondContact O-CB 3.49Å; D418-Q421 PolarHBondContact O-N 2.88Å; I419-Q421 VanDerWaalsContact C-N 3.33Å; I419-Q421 PolarHBondContact O-N 3.41Å; Q421-F423 VanDerWaalsContact C-N 3.33Å; Q421-F423 PolarHBondContact O-N 3.41Å; Q421-R424 WeakPolarHBondContact O-CB 3.12Å; Q421-R424 PolarHBondContact O-N 2.94Å |
| 422 | T | 65.8 | Low | 79.8 | Confident | 62 Ų | 62 | 64.1 Ų | 64.1 | 38% | 0.38 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.5 | -38.3 | -178 | -37.2 | 0 | 0 | 0 | 0 | 112.3 | D418 I419 P426 W469 | D418-T422 PolarHBondContact O-N 3.2Å; D418-T422 PolarHBondContact O-OG1 3.48Å; I419-T422 PolarHBondContact O-N 3.21Å; T422-P426 WeakPolarHBondContact O-CD 3.29Å; T422-W469 HydrophobicContact CG2-CH2 4.5Å; T422-W469 WeakPolarHBondContact O-CH2 3.22Å; T422-W469 WeakPolarHBondContact O-CZ2 3.19Å |
| 423 | F | 71.3 | Confident | 79.8 | Confident | 144 Ų | 144 | 59.9 Ų | 59.9 | 63% | 0.632 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -84.6 | -12.4 | -179.8 | -77.3 | -77.1 | 0 | 0 | 0 | 114.5 | I419 Q421 P426 A427 | I419-F423 HydrophobicContact CG2-CD2 3.93Å; I419-F423 HydrophobicContact CG2-CE2 4.06Å; I419-F423 WeakPolarHBondContact O-CD2 3.43Å; I419-F423 PolarHBondContact O-N 3.34Å; Q421-F423 VanDerWaalsContact C-N 3.33Å; Q421-F423 PolarHBondContact O-N 3.41Å; F423-P426 WeakPolarHBondContact O-CD 3.16Å; F423-P426 WeakPolarHBondContact O-CG 3.23Å; F423-A427 VanDerWaalsContact O-CB 3.26Å; F423-A427 WeakPolarHBondContact O-CB 3.46Å; F423-A427 PolarHBondContact O-N 3.44Å |
| 424 | R | 77.9 | Confident | 79.9 | Confident | 92 Ų | 92 | 62.1 Ų | 62.1 | 35% | 0.347 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.7 | -53.7 | -173.9 | -167.4 | -178.7 | 84.2 | 173.4 | 5.4 | 112.3 | Q421 A427 V428 E490 I493 | Q421-R424 WeakPolarHBondContact O-CB 3.12Å; Q421-R424 PolarHBondContact O-N 2.94Å; R424-A427 PolarHBondContact O-N 3.45Å; R424-V428 WeakPolarHBondContact O-CG2 3.35Å; R424-V428 PolarHBondContact O-N 3.43Å; R424-E490 IonicContact CZ-OE2 2.79Å; R424-E490 IonicContact NH1-OE2 2.66Å; R424-E490 IonicContact NH2-OE2 3.73Å; R424-E490 PolarHBondContact NH2-OE2 3.38Å; R424-I493 HydrophobicContact CG-CD1 4.11Å |
| 425 | T | 82.3 | Confident | 80.1 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62 | -49.1 | -176.7 | -57 | 0 | 0 | 0 | 0 | 113.7 | A427 V428 L429 W469 I485 D486 A489 | T425-A427 VanDerWaalsContact C-N 3.28Å; T425-A427 PolarHBondContact O-N 2.83Å; T425-V428 PolarHBondContact O-N 3.22Å; T425-L429 HydrophobicContact CG2-CD1 4.07Å; T425-L429 WeakPolarHBondContact O-CG 3.22Å; T425-L429 PolarHBondContact O-N 2.96Å; T425-W469 HydrophobicContact CG2-CD2 4.21Å; T425-W469 HydrophobicContact CG2-CG 4.07Å; T425-I485 HydrophobicContact CG2-CG2 3.95Å; T425-D486 VanDerWaalsContact CB-OD1 3.22Å; T425-D486 WeakPolarHBondContact CB-OD1 3.35Å; T425-D486 VanDerWaalsContact CG2-OD1 3.29Å; T425-D486 WeakPolarHBondContact CG2-OD1 3.35Å; T425-D486 PolarHBondContact OG1-OD1 2.86Å; T425-A489 HydrophobicContact CG2-CB 3.93Å |
| 426 | P | 84.7 | Confident | 80.4 | Confident | 23 Ų | 23 | 66 Ų | 66 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.9 | -33.8 | 178.3 | 23.6 | -32.9 | 0 | 0 | 0 | 111.7 | T422 F423 L429 A430 L466 W469 | T422-P426 WeakPolarHBondContact O-CD 3.29Å; F423-P426 WeakPolarHBondContact O-CD 3.16Å; F423-P426 WeakPolarHBondContact O-CG 3.23Å; P426-L429 PolarHBondContact O-N 3.44Å; P426-A430 VanDerWaalsContact O-CB 3.26Å; P426-A430 WeakPolarHBondContact O-CB 3.49Å; P426-A430 PolarHBondContact O-N 3.41Å; P426-L466 HydrophobicContact CB-CD1 3.96Å; P426-W469 HydrophobicContact CB-CE3 4.05Å; P426-W469 HydrophobicContact CB-CH2 4.34Å; P426-W469 HydrophobicContact CB-CZ3 3.74Å; P426-W469 HydrophobicContact CG-CE3 4.18Å; P426-W469 HydrophobicContact CG-CH2 3.58Å; P426-W469 HydrophobicContact CG-CZ2 4.35Å; P426-W469 HydrophobicContact CG-CZ3 3.46Å; P426-W469 VanDerWaalsContact CG-CZ3 3.46Å |
| 427 | A | 86 | Confident | 80.7 | Confident | 53 Ų | 53 | 65.9 Ų | 65.9 | 44% | 0.438 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F423 R424 T425 L429 A430 V431 | F423-A427 VanDerWaalsContact O-CB 3.26Å; F423-A427 WeakPolarHBondContact O-CB 3.46Å; F423-A427 PolarHBondContact O-N 3.44Å; R424-A427 PolarHBondContact O-N 3.45Å; T425-A427 VanDerWaalsContact C-N 3.28Å; T425-A427 PolarHBondContact O-N 2.83Å; A427-L429 PolarHBondContact O-N 3.32Å; A427-A430 PolarHBondContact O-N 3.23Å; A427-V431 WeakPolarHBondContact O-CG2 3.16Å; A427-V431 PolarHBondContact O-N 2.9Å |
| 428 | V | 87.6 | Confident | 81.3 | Confident | 9 Ų | 9 | 68.3 Ų | 68.3 | 6% | 0.055 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60 | -47.8 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | R424 T425 A430 V431 V432 A489 V492 I493 F497 | R424-V428 WeakPolarHBondContact O-CG2 3.35Å; R424-V428 PolarHBondContact O-N 3.43Å; T425-V428 PolarHBondContact O-N 3.22Å; V428-A430 VanDerWaalsContact C-N 3.33Å; V428-A430 PolarHBondContact O-N 3.45Å; V428-V431 PolarHBondContact O-N 2.97Å; V428-V432 HydrophobicContact CG1-CG2 4.42Å; V428-V432 VanDerWaalsContact O-CG2 3.3Å; V428-V432 WeakPolarHBondContact O-CG2 3.41Å; V428-V432 PolarHBondContact O-N 2.79Å; V428-A489 HydrophobicContact CB-CB 4.1Å; V428-A489 HydrophobicContact CG1-CB 3.91Å; V428-A489 HydrophobicContact CG2-CB 4.49Å; V428-V492 HydrophobicContact CG1-CB 4.18Å; V428-V492 HydrophobicContact CG1-CG1 4.06Å; V428-I493 HydrophobicContact CG2-CD1 3.39Å; V428-I493 HydrophobicContact CG2-CG1 3.52Å; V428-F497 HydrophobicContact CG1-CE2 4Å; V428-F497 HydrophobicContact CG2-CE2 4.46Å |
| 429 | L | 88 | Confident | 82.1 | Confident | 17 Ų | 17 | 68.2 Ų | 68.2 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 179.2 | -68.4 | 174.3 | 0 | 0 | 0 | 111.7 | T425 P426 A427 V432 L433 L466 W469 I485 | T425-L429 HydrophobicContact CG2-CD1 4.07Å; T425-L429 WeakPolarHBondContact O-CG 3.22Å; T425-L429 PolarHBondContact O-N 2.96Å; P426-L429 PolarHBondContact O-N 3.44Å; A427-L429 PolarHBondContact O-N 3.32Å; L429-V432 PolarHBondContact O-N 2.88Å; L429-L433 WeakPolarHBondContact O-CB 3.28Å; L429-L433 VanDerWaalsContact O-CG 3.27Å; L429-L433 WeakPolarHBondContact O-CG 3.34Å; L429-L433 PolarHBondContact O-N 3.41Å; L429-L466 HydrophobicContact CB-CB 4.22Å; L429-L466 HydrophobicContact CB-CD1 4.03Å; L429-L466 HydrophobicContact CD1-CB 4.14Å; L429-L466 HydrophobicContact CD1-CD1 4.18Å; L429-W469 HydrophobicContact CD1-CB 4.46Å; L429-I485 HydrophobicContact CD1-CG2 3.97Å |
| 430 | A | 88.8 | Confident | 83.1 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 41% | 0.405 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P426 A427 V428 L433 L434 | P426-A430 VanDerWaalsContact O-CB 3.26Å; P426-A430 WeakPolarHBondContact O-CB 3.49Å; P426-A430 PolarHBondContact O-N 3.41Å; A427-A430 PolarHBondContact O-N 3.23Å; V428-A430 VanDerWaalsContact C-N 3.33Å; V428-A430 PolarHBondContact O-N 3.45Å; A430-L433 PolarHBondContact O-N 3.21Å; A430-L434 WeakPolarHBondContact O-CB 3.47Å; A430-L434 PolarHBondContact O-N 2.97Å |
| 431 | V | 89.8 | Confident | 84.3 | Confident | 67 Ų | 67 | 58 Ų | 58 | 41% | 0.406 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 175.1 | 174.4 | 0 | 0 | 0 | 0 | 111 | A427 V428 L433 L434 I435 F497 | A427-V431 WeakPolarHBondContact O-CG2 3.16Å; A427-V431 PolarHBondContact O-N 2.9Å; V428-V431 PolarHBondContact O-N 2.97Å; V431-L433 VanDerWaalsContact C-N 3.34Å; V431-L433 PolarHBondContact O-N 2.83Å; V431-L434 PolarHBondContact O-N 2.82Å; V431-I435 HydrophobicContact CG1-CD1 3.91Å; V431-I435 HydrophobicContact CG1-CG1 4.41Å; V431-I435 WeakPolarHBondContact O-CG1 3.34Å; V431-I435 PolarHBondContact O-N 3.24Å; V431-F497 HydrophobicContact CB-CE2 4.27Å; V431-F497 HydrophobicContact CB-CZ 3.95Å; V431-F497 HydrophobicContact CG1-CE1 3.98Å; V431-F497 HydrophobicContact CG1-CE2 4.06Å; V431-F497 HydrophobicContact CG1-CZ 3.44Å; V431-F497 VanDerWaalsContact CG1-CZ 3.44Å |
| 432 | V | 89 | Confident | 85.5 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.1 | -45 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | V428 L429 L434 I435 F436 A462 V492 F497 | V428-V432 HydrophobicContact CG1-CG2 4.42Å; V428-V432 VanDerWaalsContact O-CG2 3.3Å; V428-V432 WeakPolarHBondContact O-CG2 3.41Å; V428-V432 PolarHBondContact O-N 2.79Å; L429-V432 PolarHBondContact O-N 2.88Å; V432-L434 VanDerWaalsContact C-N 3.34Å; V432-L434 PolarHBondContact O-N 3.35Å; V432-I435 PolarHBondContact O-N 3.36Å; V432-F436 HydrophobicContact CG1-CD2 3.71Å; V432-F436 HydrophobicContact CG1-CE2 3.76Å; V432-F436 VanDerWaalsContact O-CD2 3.31Å; V432-F436 WeakPolarHBondContact O-CD2 3.26Å; V432-F436 PolarHBondContact O-N 3.02Å; V432-A462 HydrophobicContact CG1-CB 3.95Å; V432-V492 HydrophobicContact CG2-CG1 3.93Å; V432-F497 HydrophobicContact CG2-CZ 4.06Å |
| 433 | L | 91.2 | Very high | 86.4 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 175.1 | -75.3 | 169 | 0 | 0 | 0 | 112 | L429 A430 V431 F436 H437 F459 A462 L463 L466 | L429-L433 WeakPolarHBondContact O-CB 3.28Å; L429-L433 VanDerWaalsContact O-CG 3.27Å; L429-L433 WeakPolarHBondContact O-CG 3.34Å; L429-L433 PolarHBondContact O-N 3.41Å; A430-L433 PolarHBondContact O-N 3.21Å; V431-L433 VanDerWaalsContact C-N 3.34Å; V431-L433 PolarHBondContact O-N 2.83Å; L433-F436 PolarHBondContact O-N 3.46Å; L433-H437 VanDerWaalsContact O-CB 3.26Å; L433-H437 WeakPolarHBondContact O-CB 3.4Å; L433-H437 PolarHBondContact O-N 3.47Å; L433-F459 HydrophobicContact CB-CE2 4.18Å; L433-F459 HydrophobicContact CD2-CD2 3.66Å; L433-F459 HydrophobicContact CD2-CE2 3.57Å; L433-F459 HydrophobicContact CD2-CG 4.19Å; L433-F459 HydrophobicContact CD2-CZ 4.03Å; L433-F459 WeakPolarHBondContact CD2-O 3.2Å; L433-A462 HydrophobicContact CD2-CB 3.92Å; L433-A462 HydrophobicContact CG-CB 4.18Å; L433-L463 HydrophobicContact CD1-CD1 4.05Å; L433-L463 HydrophobicContact CD2-CB 3.87Å; L433-L463 HydrophobicContact CD2-CD1 4.17Å; L433-L466 HydrophobicContact CD1-CB 4.46Å; L433-L466 HydrophobicContact CD1-CD2 3.59Å |
| 434 | L | 90.8 | Very high | 87 | Confident | 105 Ų | 105 | 53.8 Ų | 53.8 | 55% | 0.55 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 178.7 | -177.2 | 138.5 | 0 | 0 | 0 | 112.1 | A430 V431 V432 H437 I438 | A430-L434 WeakPolarHBondContact O-CB 3.47Å; A430-L434 PolarHBondContact O-N 2.97Å; V431-L434 PolarHBondContact O-N 2.82Å; V432-L434 VanDerWaalsContact C-N 3.34Å; V432-L434 PolarHBondContact O-N 3.35Å; L434-H437 PolarHBondContact O-N 2.81Å; L434-I438 HydrophobicContact CD2-CD1 3.59Å; L434-I438 HydrophobicContact CG-CD1 4.13Å; L434-I438 VanDerWaalsContact O-CG1 3.31Å; L434-I438 WeakPolarHBondContact O-CG1 3.45Å; L434-I438 PolarHBondContact O-N 3.36Å |
| 435 | I | 89.7 | Confident | 87.3 | Confident | 73 Ų | 73 | 58.5 Ų | 58.5 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.1 | -51.8 | 176.7 | -69.6 | 167.6 | 0 | 0 | 0 | 110.1 | V431 V432 H437 I438 V439 F497 | V431-I435 HydrophobicContact CG1-CD1 3.91Å; V431-I435 HydrophobicContact CG1-CG1 4.41Å; V431-I435 WeakPolarHBondContact O-CG1 3.34Å; V431-I435 PolarHBondContact O-N 3.24Å; V432-I435 PolarHBondContact O-N 3.36Å; I435-H437 VanDerWaalsContact C-N 3.33Å; I435-H437 PolarHBondContact O-N 2.86Å; I435-I438 PolarHBondContact O-N 2.95Å; I435-V439 HydrophobicContact CG2-CG2 4.34Å; I435-V439 VanDerWaalsContact O-CG2 3.27Å; I435-V439 WeakPolarHBondContact O-CG2 3.36Å; I435-V439 PolarHBondContact O-N 3.49Å; I435-F497 HydrophobicContact CD1-CE1 3.87Å; I435-F497 HydrophobicContact CD1-CZ 4.44Å |
| 436 | F | 88.5 | Confident | 87.6 | Confident | 55 Ų | 55 | 63.6 Ų | 63.6 | 24% | 0.241 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.8 | -37.7 | -179 | -80.5 | -69.3 | 0 | 0 | 0 | 112.3 | V432 L433 I438 V439 T440 P458 F459 | V432-F436 HydrophobicContact CG1-CD2 3.71Å; V432-F436 HydrophobicContact CG1-CE2 3.76Å; V432-F436 VanDerWaalsContact O-CD2 3.31Å; V432-F436 WeakPolarHBondContact O-CD2 3.26Å; V432-F436 PolarHBondContact O-N 3.02Å; L433-F436 PolarHBondContact O-N 3.46Å; F436-I438 VanDerWaalsContact C-N 3.35Å; F436-I438 PolarHBondContact O-N 3.32Å; F436-V439 PolarHBondContact O-N 3.14Å; F436-T440 WeakPolarHBondContact O-CB 3.44Å; F436-T440 WeakPolarHBondContact O-CG2 3.26Å; F436-T440 PolarHBondContact O-N 3.35Å; F436-T440 PolarHBondContact O-OG1 3.41Å; F436-P458 HydrophobicContact CD1-CB 4.36Å; F436-P458 HydrophobicContact CD1-CG 3.73Å; F436-P458 HydrophobicContact CD2-CB 4.38Å; F436-P458 HydrophobicContact CE1-CB 3.88Å; F436-P458 HydrophobicContact CE1-CG 3.34Å; F436-P458 HydrophobicContact CE2-CB 3.89Å; F436-P458 HydrophobicContact CE2-CG 4.27Å; F436-P458 HydrophobicContact CG-CG 4.36Å; F436-P458 HydrophobicContact CZ-CB 3.63Å; F436-P458 HydrophobicContact CZ-CG 3.65Å; F436-F459 HydrophobicContact CB-CB 3.95Å; F436-F459 HydrophobicContact CB-CD2 4.15Å |
| 437 | H | 88.4 | Confident | 87.4 | Confident | 122 Ų | 122 | 65.2 Ų | 65.2 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60 | -42.8 | 175.5 | -176 | 65.5 | 0 | 0 | 0 | 112.7 | L433 L434 I435 T440 G441 F459 | L433-H437 VanDerWaalsContact O-CB 3.26Å; L433-H437 WeakPolarHBondContact O-CB 3.4Å; L433-H437 PolarHBondContact O-N 3.47Å; L434-H437 PolarHBondContact O-N 2.81Å; I435-H437 VanDerWaalsContact C-N 3.33Å; I435-H437 PolarHBondContact O-N 2.86Å; H437-T440 PolarHBondContact O-OG1 3.31Å; H437-G441 PolarHBondContact O-N 3.45Å; H437-F459 HydrophobicContact CB-CD2 4.47Å; H437-F459 HydrophobicContact CB-CE2 4.1Å |
| 438 | I | 89 | Confident | 87.4 | Confident | 88 Ų | 88 | 66.7 Ų | 66.7 | 45% | 0.451 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.8 | -46.1 | 176.3 | -67.9 | 169.2 | 0 | 0 | 0 | 110.5 | L434 I435 F436 G441 I442 | L434-I438 HydrophobicContact CD2-CD1 3.59Å; L434-I438 HydrophobicContact CG-CD1 4.13Å; L434-I438 VanDerWaalsContact O-CG1 3.31Å; L434-I438 WeakPolarHBondContact O-CG1 3.45Å; L434-I438 PolarHBondContact O-N 3.36Å; I435-I438 PolarHBondContact O-N 2.95Å; F436-I438 VanDerWaalsContact C-N 3.35Å; F436-I438 PolarHBondContact O-N 3.32Å; I438-G441 PolarHBondContact O-N 3.13Å; I438-I442 HydrophobicContact CG2-CD1 3.72Å; I438-I442 HydrophobicContact CG2-CG1 4.41Å; I438-I442 VanDerWaalsContact O-CG1 3.3Å; I438-I442 WeakPolarHBondContact O-CG1 3.32Å; I438-I442 PolarHBondContact O-N 3.46Å |
| 439 | V | 87.1 | Confident | 87 | Confident | 56 Ų | 56 | 70.8 Ų | 70.8 | 34% | 0.339 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | -177.1 | -180 | 0 | 0 | 0 | 0 | 111.4 | I435 F436 S443 L455 | I435-V439 HydrophobicContact CG2-CG2 4.34Å; I435-V439 VanDerWaalsContact O-CG2 3.27Å; I435-V439 WeakPolarHBondContact O-CG2 3.36Å; I435-V439 PolarHBondContact O-N 3.49Å; F436-V439 PolarHBondContact O-N 3.14Å; V439-S443 WeakPolarHBondContact O-CB 3.34Å; V439-S443 PolarHBondContact O-N 2.99Å; V439-S443 PolarHBondContact O-OG 3.27Å; V439-L455 HydrophobicContact CG1-CD1 3.83Å |
| 440 | T | 85.9 | Confident | 86.6 | Confident | 15 Ų | 15 | 77.8 Ų | 77.8 | 9% | 0.092 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 173.8 | 53.2 | 0 | 0 | 0 | 0 | 111 | F436 H437 I442 S443 E444 L455 A456 | F436-T440 WeakPolarHBondContact O-CB 3.44Å; F436-T440 WeakPolarHBondContact O-CG2 3.26Å; F436-T440 PolarHBondContact O-N 3.35Å; F436-T440 PolarHBondContact O-OG1 3.41Å; H437-T440 PolarHBondContact O-OG1 3.31Å; T440-I442 PolarHBondContact O-N 3Å; T440-S443 PolarHBondContact O-N 3.48Å; T440-S443 VanDerWaalsContact O-N 3.15Å; T440-E444 WeakPolarHBondContact O-CG 3.41Å; T440-E444 PolarHBondContact O-N 2.9Å; T440-L455 HydrophobicContact CG2-CB 3.82Å; T440-A456 HydrophobicContact CG2-CB 4.46Å |
| 441 | G | 85.6 | Confident | 86.1 | Confident | 33 Ų | 33 | 78.6 Ų | 78.6 | 34% | 0.34 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H437 I438 E444 F445 | H437-G441 PolarHBondContact O-N 3.45Å; I438-G441 PolarHBondContact O-N 3.13Å; G441-E444 PolarHBondContact O-N 3.47Å; G441-F445 WeakPolarHBondContact O-CB 3.31Å; G441-F445 PolarHBondContact O-N 2.56Å |
| 442 | I | 87.5 | Confident | 85.6 | Confident | 91 Ų | 91 | 75.6 Ų | 75.6 | 47% | 0.467 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 173.8 | -68 | 168.6 | 0 | 0 | 0 | 110.8 | I438 T440 E444 F445 I446 | I438-I442 HydrophobicContact CG2-CD1 3.72Å; I438-I442 HydrophobicContact CG2-CG1 4.41Å; I438-I442 VanDerWaalsContact O-CG1 3.3Å; I438-I442 WeakPolarHBondContact O-CG1 3.32Å; I438-I442 PolarHBondContact O-N 3.46Å; T440-I442 PolarHBondContact O-N 3Å; I442-E444 VanDerWaalsContact C-N 3.34Å; I442-E444 PolarHBondContact O-N 2.79Å; I442-F445 PolarHBondContact O-N 2.9Å; I442-I446 HydrophobicContact CG2-CD1 3.58Å; I442-I446 HydrophobicContact CG2-CG1 4.38Å; I442-I446 VanDerWaalsContact O-CG1 3.26Å; I442-I446 WeakPolarHBondContact O-CG1 3.29Å; I442-I446 PolarHBondContact O-N 3.17Å |
| 443 | S | 84.4 | Confident | 85.3 | Confident | 12 Ų | 12 | 77 Ų | 77 | 8% | 0.084 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 179.8 | -58.7 | 0 | 0 | 0 | 0 | 112 | V439 T440 G447 L448 | V439-S443 WeakPolarHBondContact O-CB 3.34Å; V439-S443 PolarHBondContact O-N 2.99Å; V439-S443 PolarHBondContact O-OG 3.27Å; T440-S443 PolarHBondContact O-N 3.48Å; T440-S443 VanDerWaalsContact O-N 3.15Å; S443-G447 PolarHBondContact O-N 3.46Å; S443-L448 PolarHBondContact O-N 2.89Å |
| 444 | E | 84.1 | Confident | 85 | Confident | 124 Ų | 124 | 82.2 Ų | 82.2 | 58% | 0.579 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.8 | -42.6 | 173.2 | -74.8 | 175.4 | -173.7 | 0 | 0 | 111.9 | T440 G441 I442 I446 G447 S452 | T440-E444 WeakPolarHBondContact O-CG 3.41Å; T440-E444 PolarHBondContact O-N 2.9Å; G441-E444 PolarHBondContact O-N 3.47Å; I442-E444 VanDerWaalsContact C-N 3.34Å; I442-E444 PolarHBondContact O-N 2.79Å; E444-I446 VanDerWaalsContact C-N 3.3Å; E444-I446 PolarHBondContact O-N 3.13Å; E444-G447 PolarHBondContact O-N 2.92Å; E444-S452 WeakPolarHBondContact CG-OG 3.36Å; E444-S452 PolarHBondContact OE1-OG 2.92Å |
| 445 | F | 85.6 | Confident | 84.6 | Confident | 191 Ų | 191 | 79.3 Ų | 79.3 | 84% | 0.838 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.7 | -36.3 | 177.6 | -175.4 | -99.3 | 0 | 0 | 0 | 112.8 | G441 I442 G447 | G441-F445 WeakPolarHBondContact O-CB 3.31Å; G441-F445 PolarHBondContact O-N 2.56Å; I442-F445 PolarHBondContact O-N 2.9Å; F445-G447 PolarHBondContact O-N 3.38Å |
| 446 | I | 87.9 | Confident | 84.3 | Confident | 110 Ų | 110 | 77 Ų | 77 | 56% | 0.564 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -9.3 | 177.5 | -61.5 | 165.8 | 0 | 0 | 0 | 111.9 | I442 E444 L448 | I442-I446 HydrophobicContact CG2-CD1 3.58Å; I442-I446 HydrophobicContact CG2-CG1 4.38Å; I442-I446 VanDerWaalsContact O-CG1 3.26Å; I442-I446 WeakPolarHBondContact O-CG1 3.29Å; I442-I446 PolarHBondContact O-N 3.17Å; E444-I446 VanDerWaalsContact C-N 3.3Å; E444-I446 PolarHBondContact O-N 3.13Å; I446-L448 HydrophobicContact CB-CD1 4.48Å; I446-L448 HydrophobicContact CB-CG 4.48Å; I446-L448 HydrophobicContact CG2-CD1 4.04Å; I446-L448 HydrophobicContact CG2-CG 4.06Å |
| 447 | G | 81.4 | Confident | 84.3 | Confident | 57 Ų | 57 | 80 Ų | 80 | 59% | 0.588 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 16.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S443 E444 F445 S449 | S443-G447 PolarHBondContact O-N 3.46Å; E444-G447 PolarHBondContact O-N 2.92Å; F445-G447 PolarHBondContact O-N 3.38Å; G447-S449 VanDerWaalsContact C-N 3.27Å; G447-S449 PolarHBondContact O-N 3.5Å; G447-S449 VanDerWaalsContact O-N 3.13Å |
| 448 | L | 84.3 | Confident | 84.2 | Confident | 85 Ų | 85 | 76 Ų | 76 | 45% | 0.445 | 44% | 0.437 | S | S | . | . | trans | -87.3 | 60 | 177.2 | -63.8 | 171.4 | 0 | 0 | 0 | 111 | S443 I446 M450 V451 S452 | S443-L448 PolarHBondContact O-N 2.89Å; I446-L448 HydrophobicContact CB-CD1 4.48Å; I446-L448 HydrophobicContact CB-CG 4.48Å; I446-L448 HydrophobicContact CG2-CD1 4.04Å; I446-L448 HydrophobicContact CG2-CG 4.06Å; L448-M450 VanDerWaalsContact C-N 3.33Å; L448-M450 PolarHBondContact O-N 3.45Å; L448-V451 HydrophobicContact CB-CB 3.99Å; L448-V451 HydrophobicContact CB-CG2 4.06Å; L448-V451 PolarHBondContact O-N 2.91Å; L448-S452 PolarHBondContact O-N 3.37Å | ||
| 449 | S | 79.5 | Confident | 84.3 | Confident | 94 Ų | 94 | 73.9 Ų | 73.9 | 66% | 0.657 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58.8 | -38.4 | -172.2 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | G447 V451 S452 G453 | G447-S449 VanDerWaalsContact C-N 3.27Å; G447-S449 PolarHBondContact O-N 3.5Å; G447-S449 VanDerWaalsContact O-N 3.13Å; S449-V451 VanDerWaalsContact C-N 3.32Å; S449-V451 PolarHBondContact O-N 2.65Å; S449-S452 PolarHBondContact O-N 3.46Å; S449-G453 PolarHBondContact O-N 3.22Å |
| 450 | M | 80.5 | Confident | 84.4 | Confident | 165 Ų | 165 | 78.1 Ų | 78.1 | 81% | 0.813 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.8 | -36.5 | 174.5 | -83.1 | -163.6 | 160.7 | 0 | 0 | 112.8 | L448 I454 | L448-M450 VanDerWaalsContact C-N 3.33Å; L448-M450 PolarHBondContact O-N 3.45Å; M450-I454 PolarHBondContact O-N 2.93Å |
| 451 | V | 78.4 | Confident | 84.7 | Confident | 65 Ų | 65 | 82.2 Ų | 82.2 | 39% | 0.394 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -74 | -38.5 | 179.9 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | L448 S449 G453 I454 L455 | L448-V451 HydrophobicContact CB-CB 3.99Å; L448-V451 HydrophobicContact CB-CG2 4.06Å; L448-V451 PolarHBondContact O-N 2.91Å; S449-V451 VanDerWaalsContact C-N 3.32Å; S449-V451 PolarHBondContact O-N 2.65Å; V451-G453 VanDerWaalsContact C-N 3.33Å; V451-G453 PolarHBondContact O-N 3.01Å; V451-I454 PolarHBondContact O-N 3.45Å; V451-L455 HydrophobicContact CG1-CD1 3.74Å; V451-L455 HydrophobicContact CG1-CG 4.37Å; V451-L455 WeakPolarHBondContact O-CB 3.46Å; V451-L455 WeakPolarHBondContact O-CG 3.49Å; V451-L455 PolarHBondContact O-N 2.89Å |
| 452 | S | 79.6 | Confident | 84.9 | Confident | 5 Ų | 5 | 81 Ų | 81 | 4% | 0.035 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -56.9 | -45.8 | 173.5 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | E444 L448 S449 I454 L455 A456 | E444-S452 WeakPolarHBondContact CG-OG 3.36Å; E444-S452 PolarHBondContact OE1-OG 2.92Å; L448-S452 PolarHBondContact O-N 3.37Å; S449-S452 PolarHBondContact O-N 3.46Å; S452-I454 VanDerWaalsContact C-N 3.33Å; S452-I454 PolarHBondContact O-N 2.85Å; S452-L455 CarbonylContact O-C 3.55Å; S452-L455 PolarHBondContact O-N 3.33Å; S452-L455 VanDerWaalsContact O-N 3.11Å; S452-A456 WeakPolarHBondContact O-CB 3.17Å; S452-A456 PolarHBondContact O-N 3.37Å |
| 453 | G | 82.2 | Confident | 85.1 | Confident | 51 Ų | 51 | 79 Ų | 79 | 53% | 0.526 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S449 V451 A456 | S449-G453 PolarHBondContact O-N 3.22Å; V451-G453 VanDerWaalsContact C-N 3.33Å; V451-G453 PolarHBondContact O-N 3.01Å; G453-A456 PolarHBondContact O-N 3.23Å |
| 454 | I | 84.7 | Confident | 85.6 | Confident | 129 Ų | 129 | 82.9 Ų | 82.9 | 66% | 0.662 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.3 | -39.6 | 176.7 | -64 | 171.4 | 0 | 0 | 0 | 110.8 | M450 V451 S452 A456 L457 P458 | M450-I454 PolarHBondContact O-N 2.93Å; V451-I454 PolarHBondContact O-N 3.45Å; S452-I454 VanDerWaalsContact C-N 3.33Å; S452-I454 PolarHBondContact O-N 2.85Å; I454-A456 VanDerWaalsContact C-N 3.33Å; I454-L457 PolarHBondContact O-N 3.46Å; I454-P458 WeakPolarHBondContact O-CD 3.32Å |
| 455 | L | 81.4 | Confident | 85.9 | Confident | 45 Ų | 45 | 78.5 Ų | 78.5 | 24% | 0.236 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -75.8 | -19.1 | -179.6 | -69.9 | 170.5 | 0 | 0 | 0 | 113.7 | V439 T440 V451 S452 L457 P458 | V439-L455 HydrophobicContact CG1-CD1 3.83Å; T440-L455 HydrophobicContact CG2-CB 3.82Å; V451-L455 HydrophobicContact CG1-CD1 3.74Å; V451-L455 HydrophobicContact CG1-CG 4.37Å; V451-L455 WeakPolarHBondContact O-CB 3.46Å; V451-L455 WeakPolarHBondContact O-CG 3.49Å; V451-L455 PolarHBondContact O-N 2.89Å; S452-L455 CarbonylContact O-C 3.55Å; S452-L455 PolarHBondContact O-N 3.33Å; S452-L455 VanDerWaalsContact O-N 3.11Å; L455-L457 VanDerWaalsContact C-N 3.35Å; L455-P458 VanDerWaalsContact O-CD 3.29Å; L455-P458 WeakPolarHBondContact O-CD 3.43Å; L455-P458 VanDerWaalsContact O-CG 3.27Å; L455-P458 WeakPolarHBondContact O-CG 3.42Å |
| 456 | A | 85.1 | Confident | 86.2 | Confident | 24 Ų | 24 | 70.7 Ų | 70.7 | 20% | 0.198 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -72.8 | -26.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T440 S452 G453 I454 F459 Y460 | T440-A456 HydrophobicContact CG2-CB 4.46Å; S452-A456 WeakPolarHBondContact O-CB 3.17Å; S452-A456 PolarHBondContact O-N 3.37Å; G453-A456 PolarHBondContact O-N 3.23Å; I454-A456 VanDerWaalsContact C-N 3.33Å; A456-F459 WeakPolarHBondContact O-CB 3.34Å; A456-F459 PolarHBondContact O-N 2.93Å; A456-Y460 HydrophobicContact CB-CD2 4.43Å; A456-Y460 HydrophobicContact CB-CE2 4.16Å; A456-Y460 WeakPolarHBondContact O-CD2 3.47Å; A456-Y460 PolarHBondContact O-N 3.28Å; A456-Y460 VanDerWaalsContact O-N 3.11Å |
| 457 | L | 87.5 | Confident | 86.3 | Confident | 118 Ų | 118 | 71.6 Ų | 71.6 | 62% | 0.618 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -56.5 | -53.8 | 179.1 | -169.5 | 85.6 | 0 | 0 | 0 | 113.1 | I454 L455 F459 Y460 I461 | I454-L457 PolarHBondContact O-N 3.46Å; L455-L457 VanDerWaalsContact C-N 3.35Å; L457-F459 VanDerWaalsContact C-N 3.26Å; L457-F459 PolarHBondContact O-N 2.91Å; L457-Y460 PolarHBondContact O-N 3.36Å; L457-I461 HydrophobicContact CD2-CD1 4.37Å; L457-I461 HydrophobicContact CG-CD1 4.13Å; L457-I461 WeakPolarHBondContact O-CG1 3.27Å; L457-I461 PolarHBondContact O-N 2.92Å; L457-I461 VanDerWaalsContact O-N 3.07Å |
| 458 | P | 87.4 | Confident | 86.7 | Confident | 39 Ų | 39 | 70.9 Ų | 70.9 | 25% | 0.253 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.8 | -28.2 | 177.4 | 24.7 | -35.3 | 0 | 0 | 0 | 113.5 | F436 I454 L455 I461 A462 | F436-P458 HydrophobicContact CD1-CB 4.36Å; F436-P458 HydrophobicContact CD1-CG 3.73Å; F436-P458 HydrophobicContact CD2-CB 4.38Å; F436-P458 HydrophobicContact CE1-CB 3.88Å; F436-P458 HydrophobicContact CE1-CG 3.34Å; F436-P458 HydrophobicContact CE2-CB 3.89Å; F436-P458 HydrophobicContact CE2-CG 4.27Å; F436-P458 HydrophobicContact CG-CG 4.36Å; F436-P458 HydrophobicContact CZ-CB 3.63Å; F436-P458 HydrophobicContact CZ-CG 3.65Å; I454-P458 WeakPolarHBondContact O-CD 3.32Å; L455-P458 VanDerWaalsContact O-CD 3.29Å; L455-P458 WeakPolarHBondContact O-CD 3.43Å; L455-P458 VanDerWaalsContact O-CG 3.27Å; L455-P458 WeakPolarHBondContact O-CG 3.42Å; P458-I461 PolarHBondContact O-N 2.96Å; P458-A462 WeakPolarHBondContact O-CB 3.3Å; P458-A462 PolarHBondContact O-N 3.25Å |
| 459 | F | 89.3 | Confident | 86.9 | Confident | 43 Ų | 43 | 67.6 Ų | 67.6 | 19% | 0.189 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.5 | -51.6 | 172.7 | 175.6 | -90.8 | 0 | 0 | 0 | 111.2 | L433 F436 H437 A456 L457 I461 A462 L463 | L433-F459 HydrophobicContact CB-CE2 4.18Å; L433-F459 HydrophobicContact CD2-CD2 3.66Å; L433-F459 HydrophobicContact CD2-CE2 3.57Å; L433-F459 HydrophobicContact CD2-CG 4.19Å; L433-F459 HydrophobicContact CD2-CZ 4.03Å; L433-F459 WeakPolarHBondContact CD2-O 3.2Å; F436-F459 HydrophobicContact CB-CB 3.95Å; F436-F459 HydrophobicContact CB-CD2 4.15Å; H437-F459 HydrophobicContact CB-CD2 4.47Å; H437-F459 HydrophobicContact CB-CE2 4.1Å; A456-F459 WeakPolarHBondContact O-CB 3.34Å; A456-F459 PolarHBondContact O-N 2.93Å; L457-F459 VanDerWaalsContact C-N 3.26Å; L457-F459 PolarHBondContact O-N 2.91Å; F459-I461 VanDerWaalsContact C-N 3.31Å; F459-I461 PolarHBondContact O-N 3.46Å; F459-A462 PolarHBondContact O-N 3.48Å; F459-L463 HydrophobicContact CE1-CD2 4.3Å; F459-L463 WeakPolarHBondContact O-CB 3.26Å; F459-L463 PolarHBondContact O-N 2.91Å |
| 460 | Y | 90.8 | Very high | 87.3 | Confident | 145 Ų | 145 | 67 Ų | 67 | 57% | 0.569 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65 | -34.6 | 178.9 | -71.5 | -67 | 0 | 0 | 0 | 112.4 | A456 L457 L463 V464 | A456-Y460 HydrophobicContact CB-CD2 4.43Å; A456-Y460 HydrophobicContact CB-CE2 4.16Å; A456-Y460 WeakPolarHBondContact O-CD2 3.47Å; A456-Y460 PolarHBondContact O-N 3.28Å; A456-Y460 VanDerWaalsContact O-N 3.11Å; L457-Y460 PolarHBondContact O-N 3.36Å; Y460-L463 HydrophobicContact CD1-CD2 4.44Å; Y460-L463 PolarHBondContact O-N 3.38Å; Y460-V464 WeakPolarHBondContact O-CG2 3.4Å; Y460-V464 PolarHBondContact O-N 3.04Å |
| 461 | I | 91.2 | Very high | 87.6 | Confident | 100 Ų | 100 | 65.1 Ų | 65.1 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 173.5 | -66.5 | 167.6 | 0 | 0 | 0 | 110.9 | L457 P458 F459 L463 S465 | L457-I461 HydrophobicContact CD2-CD1 4.37Å; L457-I461 HydrophobicContact CG-CD1 4.13Å; L457-I461 WeakPolarHBondContact O-CG1 3.27Å; L457-I461 PolarHBondContact O-N 2.92Å; L457-I461 VanDerWaalsContact O-N 3.07Å; P458-I461 PolarHBondContact O-N 2.96Å; F459-I461 VanDerWaalsContact C-N 3.31Å; F459-I461 PolarHBondContact O-N 3.46Å; I461-L463 VanDerWaalsContact C-N 3.3Å; I461-L463 PolarHBondContact O-N 3.49Å; I461-S465 WeakPolarHBondContact O-CB 3.48Å; I461-S465 PolarHBondContact O-N 3.39Å; I461-S465 PolarHBondContact O-OG 3.08Å |
| 462 | A | 89.7 | Confident | 87.9 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 7% | 0.066 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.2 | -36.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V432 L433 P458 F459 S465 L466 | V432-A462 HydrophobicContact CG1-CB 3.95Å; L433-A462 HydrophobicContact CD2-CB 3.92Å; L433-A462 HydrophobicContact CG-CB 4.18Å; P458-A462 WeakPolarHBondContact O-CB 3.3Å; P458-A462 PolarHBondContact O-N 3.25Å; F459-A462 PolarHBondContact O-N 3.48Å; A462-S465 PolarHBondContact O-N 2.66Å; A462-L466 WeakPolarHBondContact O-CB 3.26Å; A462-L466 PolarHBondContact O-N 3Å |
| 463 | L | 92.9 | Very high | 87.8 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.2 | -48 | 178.9 | -171.2 | 67.8 | 0 | 0 | 0 | 111.3 | L433 F459 Y460 I461 S465 L466 F467 | L433-L463 HydrophobicContact CD1-CD1 4.05Å; L433-L463 HydrophobicContact CD2-CB 3.87Å; L433-L463 HydrophobicContact CD2-CD1 4.17Å; F459-L463 HydrophobicContact CE1-CD2 4.3Å; F459-L463 WeakPolarHBondContact O-CB 3.26Å; F459-L463 PolarHBondContact O-N 2.91Å; Y460-L463 HydrophobicContact CD1-CD2 4.44Å; Y460-L463 PolarHBondContact O-N 3.38Å; I461-L463 VanDerWaalsContact C-N 3.3Å; I461-L463 PolarHBondContact O-N 3.49Å; L463-S465 VanDerWaalsContact C-N 3.29Å; L463-S465 PolarHBondContact O-N 2.82Å; L463-L466 PolarHBondContact O-N 3.46Å; L463-F467 HydrophobicContact CD1-CD2 4.11Å; L463-F467 HydrophobicContact CD1-CE2 3.66Å; L463-F467 HydrophobicContact CD2-CE2 4.42Å; L463-F467 HydrophobicContact CG-CD2 3.96Å; L463-F467 HydrophobicContact CG-CE2 3.83Å; L463-F467 WeakPolarHBondContact O-CD2 3.33Å; L463-F467 PolarHBondContact O-N 3.19Å |
| 464 | V | 93.4 | Very high | 87.5 | Confident | 93 Ų | 93 | 73 Ų | 73 | 56% | 0.564 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.3 | -41.3 | 174.3 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | Y460 L466 F467 T468 | Y460-V464 WeakPolarHBondContact O-CG2 3.4Å; Y460-V464 PolarHBondContact O-N 3.04Å; V464-L466 VanDerWaalsContact C-N 3.34Å; V464-L466 PolarHBondContact O-N 3.4Å; V464-F467 PolarHBondContact O-N 3.31Å; V464-T468 WeakPolarHBondContact O-CB 3.31Å; V464-T468 PolarHBondContact O-N 3.36Å; V464-T468 PolarHBondContact O-OG1 2.73Å |
| 465 | S | 91.3 | Very high | 87.2 | Confident | 33 Ų | 33 | 69.3 Ų | 69.3 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 176.2 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | I461 A462 L463 W469 | I461-S465 WeakPolarHBondContact O-CB 3.48Å; I461-S465 PolarHBondContact O-N 3.39Å; I461-S465 PolarHBondContact O-OG 3.08Å; A462-S465 PolarHBondContact O-N 2.66Å; L463-S465 VanDerWaalsContact C-N 3.29Å; L463-S465 PolarHBondContact O-N 2.82Å; S465-W469 WeakPolarHBondContact O-CB 3.48Å; S465-W469 PolarHBondContact O-N 3Å |
| 466 | L | 91 | Very high | 86.8 | Confident | 26 Ų | 26 | 70.1 Ų | 70.1 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.2 | -48.6 | 177.1 | 178.2 | 64.1 | 0 | 0 | 0 | 112 | P426 L429 L433 A462 L463 V464 T468 W469 L470 | P426-L466 HydrophobicContact CB-CD1 3.96Å; L429-L466 HydrophobicContact CB-CB 4.22Å; L429-L466 HydrophobicContact CB-CD1 4.03Å; L429-L466 HydrophobicContact CD1-CB 4.14Å; L429-L466 HydrophobicContact CD1-CD1 4.18Å; L433-L466 HydrophobicContact CD1-CB 4.46Å; L433-L466 HydrophobicContact CD1-CD2 3.59Å; A462-L466 WeakPolarHBondContact O-CB 3.26Å; A462-L466 PolarHBondContact O-N 3Å; L463-L466 PolarHBondContact O-N 3.46Å; V464-L466 VanDerWaalsContact C-N 3.34Å; V464-L466 PolarHBondContact O-N 3.4Å; L466-T468 VanDerWaalsContact C-N 3.33Å; L466-W469 PolarHBondContact O-N 3.29Å; L466-L470 HydrophobicContact CD1-CD1 4.22Å; L466-L470 HydrophobicContact CD1-CG 4.35Å; L466-L470 HydrophobicContact CG-CD1 4.07Å; L466-L470 WeakPolarHBondContact O-CB 3.34Å; L466-L470 WeakPolarHBondContact O-CG 3.4Å; L466-L470 PolarHBondContact O-N 3.47Å |
| 467 | F | 91.5 | Very high | 85.8 | Confident | 129 Ų | 129 | 77.8 Ų | 77.8 | 57% | 0.566 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.9 | -37.9 | 177.5 | -79.7 | -64.4 | 0 | 0 | 0 | 112.2 | L463 V464 L470 F471 | L463-F467 HydrophobicContact CD1-CD2 4.11Å; L463-F467 HydrophobicContact CD1-CE2 3.66Å; L463-F467 HydrophobicContact CD2-CE2 4.42Å; L463-F467 HydrophobicContact CG-CD2 3.96Å; L463-F467 HydrophobicContact CG-CE2 3.83Å; L463-F467 WeakPolarHBondContact O-CD2 3.33Å; L463-F467 PolarHBondContact O-N 3.19Å; V464-F467 PolarHBondContact O-N 3.31Å; F467-L470 PolarHBondContact O-N 2.92Å; F467-F471 VanDerWaalsContact O-CB 3.28Å; F467-F471 WeakPolarHBondContact O-CB 3.15Å; F467-F471 PolarHBondContact O-N 3.48Å |
| 468 | T | 89.7 | Confident | 85.3 | Confident | 43 Ų | 43 | 74.7 Ų | 74.7 | 26% | 0.264 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.1 | -49 | 174.1 | -56.8 | 0 | 0 | 0 | 0 | 109.7 | V464 L466 L470 F471 L472 L481 I485 | V464-T468 WeakPolarHBondContact O-CB 3.31Å; V464-T468 PolarHBondContact O-N 3.36Å; V464-T468 PolarHBondContact O-OG1 2.73Å; L466-T468 VanDerWaalsContact C-N 3.33Å; T468-L470 PolarHBondContact O-N 3.44Å; T468-F471 PolarHBondContact O-N 3.3Å; T468-L472 HydrophobicContact CG2-CD1 3.7Å; T468-L472 HydrophobicContact CG2-CG 4.11Å; T468-L472 WeakPolarHBondContact O-CB 3.48Å; T468-L472 WeakPolarHBondContact O-CG 3.47Å; T468-L472 PolarHBondContact O-N 3.27Å; T468-L481 HydrophobicContact CG2-CD2 4.01Å; T468-I485 HydrophobicContact CG2-CD1 4.17Å |
| 469 | W | 88.5 | Confident | 84.7 | Confident | 16 Ų | 16 | 77.5 Ų | 77.5 | 6% | 0.061 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 176.7 | -174 | 91.8 | 0 | 0 | 0 | 111.9 | T422 T425 P426 L429 S465 L466 F471 L472 S473 I485 D486 | T422-W469 HydrophobicContact CG2-CH2 4.5Å; T422-W469 WeakPolarHBondContact O-CH2 3.22Å; T422-W469 WeakPolarHBondContact O-CZ2 3.19Å; T425-W469 HydrophobicContact CG2-CD2 4.21Å; T425-W469 HydrophobicContact CG2-CG 4.07Å; P426-W469 HydrophobicContact CB-CE3 4.05Å; P426-W469 HydrophobicContact CB-CH2 4.34Å; P426-W469 HydrophobicContact CB-CZ3 3.74Å; P426-W469 HydrophobicContact CG-CE3 4.18Å; P426-W469 HydrophobicContact CG-CH2 3.58Å; P426-W469 HydrophobicContact CG-CZ2 4.35Å; P426-W469 HydrophobicContact CG-CZ3 3.46Å; P426-W469 VanDerWaalsContact CG-CZ3 3.46Å; L429-W469 HydrophobicContact CD1-CB 4.46Å; S465-W469 WeakPolarHBondContact O-CB 3.48Å; S465-W469 PolarHBondContact O-N 3Å; L466-W469 PolarHBondContact O-N 3.29Å; W469-F471 VanDerWaalsContact C-N 3.34Å; W469-F471 PolarHBondContact O-N 2.88Å; W469-L472 PolarHBondContact O-N 3.07Å; W469-S473 VanDerWaalsContact CE2-OG 3.29Å; W469-S473 WeakPolarHBondContact CZ2-OG 3.49Å; W469-S473 WeakPolarHBondContact O-CB 3.5Å; W469-S473 PolarHBondContact O-N 2.94Å; W469-S473 PolarHBondContact O-OG 3.22Å; W469-I485 HydrophobicContact CB-CD1 4.02Å; W469-I485 HydrophobicContact CB-CG2 4.14Å; W469-I485 HydrophobicContact CG-CG2 4.25Å; W469-D486 PolarHBondContact NE1-OD1 3.03Å |
| 470 | L | 86.9 | Confident | 84.2 | Confident | 82 Ų | 82 | 83.6 Ų | 83.6 | 43% | 0.429 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 175.8 | -77.8 | 167.6 | 0 | 0 | 0 | 111.9 | L466 F467 T468 Y474 | L466-L470 HydrophobicContact CD1-CD1 4.22Å; L466-L470 HydrophobicContact CD1-CG 4.35Å; L466-L470 HydrophobicContact CG-CD1 4.07Å; L466-L470 WeakPolarHBondContact O-CB 3.34Å; L466-L470 WeakPolarHBondContact O-CG 3.4Å; L466-L470 PolarHBondContact O-N 3.47Å; F467-L470 PolarHBondContact O-N 2.92Å; T468-L470 PolarHBondContact O-N 3.44Å; L470-Y474 WeakPolarHBondContact O-CB 3.45Å; L470-Y474 PolarHBondContact O-N 3.45Å |
| 471 | F | 86.5 | Confident | 83.7 | Confident | 124 Ų | 124 | 81.2 Ų | 81.2 | 54% | 0.544 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 178 | -178.7 | -97.8 | 0 | 0 | 0 | 112.2 | F467 T468 W469 Y474 T475 | F467-F471 VanDerWaalsContact O-CB 3.28Å; F467-F471 WeakPolarHBondContact O-CB 3.15Å; F467-F471 PolarHBondContact O-N 3.48Å; T468-F471 PolarHBondContact O-N 3.3Å; W469-F471 VanDerWaalsContact C-N 3.34Å; W469-F471 PolarHBondContact O-N 2.88Å; F471-Y474 PolarHBondContact O-N 2.84Å; F471-T475 HydrophobicContact CD1-CG2 4.38Å; F471-T475 HydrophobicContact CD2-CG2 4.12Å; F471-T475 HydrophobicContact CE1-CG2 4.06Å; F471-T475 HydrophobicContact CE2-CG2 3.78Å; F471-T475 HydrophobicContact CG-CG2 4.41Å; F471-T475 HydrophobicContact CZ-CG2 3.76Å; F471-T475 WeakPolarHBondContact O-CB 3.45Å; F471-T475 VanDerWaalsContact O-CG2 3.29Å; F471-T475 WeakPolarHBondContact O-CG2 3.23Å; F471-T475 PolarHBondContact O-N 3.06Å; F471-T475 PolarHBondContact O-OG1 3.49Å |
| 472 | L | 85.4 | Confident | 83.1 | Confident | 17 Ų | 17 | 77.2 Ų | 77.2 | 9% | 0.089 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.8 | -41.4 | 178.3 | -63.3 | 174.9 | 0 | 0 | 0 | 111.4 | T468 W469 Y474 T475 G476 R477 A478 L481 A482 | T468-L472 HydrophobicContact CG2-CD1 3.7Å; T468-L472 HydrophobicContact CG2-CG 4.11Å; T468-L472 WeakPolarHBondContact O-CB 3.48Å; T468-L472 WeakPolarHBondContact O-CG 3.47Å; T468-L472 PolarHBondContact O-N 3.27Å; W469-L472 PolarHBondContact O-N 3.07Å; L472-Y474 VanDerWaalsContact C-N 3.31Å; L472-Y474 PolarHBondContact O-N 3.4Å; L472-T475 PolarHBondContact O-N 3.46Å; L472-G476 VanDerWaalsContact O-CA 3.31Å; L472-G476 WeakPolarHBondContact O-CA 3.39Å; L472-G476 PolarHBondContact O-N 3.16Å; L472-R477 WeakPolarHBondContact CD2-O 3.4Å; L472-A478 HydrophobicContact CD2-CB 4.2Å; L472-L481 HydrophobicContact CD1-CB 3.88Å; L472-L481 HydrophobicContact CD1-CD2 3.92Å; L472-L481 HydrophobicContact CD1-CG 4.46Å; L472-A482 HydrophobicContact CB-CB 4.28Å; L472-A482 HydrophobicContact CD1-CB 4.32Å |
| 473 | S | 76.6 | Confident | 82.6 | Confident | 61 Ų | 61 | 79.3 Ų | 79.3 | 43% | 0.427 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.1 | -33.6 | 175 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | W469 | W469-S473 VanDerWaalsContact CE2-OG 3.29Å; W469-S473 WeakPolarHBondContact CZ2-OG 3.49Å; W469-S473 WeakPolarHBondContact O-CB 3.5Å; W469-S473 PolarHBondContact O-N 2.94Å; W469-S473 PolarHBondContact O-OG 3.22Å |
| 474 | Y | 76.8 | Confident | 82.3 | Confident | 210 Ų | 210 | 79.2 Ų | 79.2 | 82% | 0.824 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -77.3 | -40.4 | 175.6 | -175.5 | -101.4 | 0 | 0 | 0 | 113 | L470 F471 L472 | L470-Y474 WeakPolarHBondContact O-CB 3.45Å; L470-Y474 PolarHBondContact O-N 3.45Å; F471-Y474 PolarHBondContact O-N 2.84Å; L472-Y474 VanDerWaalsContact C-N 3.31Å; L472-Y474 PolarHBondContact O-N 3.4Å |
| 475 | T | 79.3 | Confident | 81.9 | Confident | 51 Ų | 51 | 75.8 Ų | 75.8 | 31% | 0.313 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -90.4 | -18.4 | -175 | 60 | 0 | 0 | 0 | 0 | 114.2 | F471 L472 R477 | F471-T475 HydrophobicContact CD1-CG2 4.38Å; F471-T475 HydrophobicContact CD2-CG2 4.12Å; F471-T475 HydrophobicContact CE1-CG2 4.06Å; F471-T475 HydrophobicContact CE2-CG2 3.78Å; F471-T475 HydrophobicContact CG-CG2 4.41Å; F471-T475 HydrophobicContact CZ-CG2 3.76Å; F471-T475 WeakPolarHBondContact O-CB 3.45Å; F471-T475 VanDerWaalsContact O-CG2 3.29Å; F471-T475 WeakPolarHBondContact O-CG2 3.23Å; F471-T475 PolarHBondContact O-N 3.06Å; F471-T475 PolarHBondContact O-OG1 3.49Å; L472-T475 PolarHBondContact O-N 3.46Å; T475-R477 PolarHBondContact O-N 2.86Å |
| 476 | G | 71.6 | Confident | 81.6 | Confident | 61 Ų | 61 | 76.6 Ų | 76.6 | 63% | 0.629 | 41% | 0.41 | S | S | * | . | trans | 65.9 | 9.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L472 | L472-G476 VanDerWaalsContact O-CA 3.31Å; L472-G476 WeakPolarHBondContact O-CA 3.39Å; L472-G476 PolarHBondContact O-N 3.16Å | ||
| 477 | R | 65.5 | Low | 81.4 | Confident | 185 Ų | 185 | 81.6 Ų | 81.6 | 70% | 0.698 | 43% | 0.433 | S | S | * | . | trans | -83.2 | 147.4 | 179.8 | -68.3 | -175.8 | 174.2 | 179.2 | -1 | 110.4 | L472 T475 | L472-R477 WeakPolarHBondContact CD2-O 3.4Å; T475-R477 PolarHBondContact O-N 2.86Å | ||
| 478 | A | 76.2 | Confident | 81.2 | Confident | 54 Ų | 54 | 79 Ų | 79 | 45% | 0.446 | 43% | 0.43 | S | S | . | . | trans | 49.8 | 63.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L472 E480 L481 A482 | L472-A478 HydrophobicContact CD2-CB 4.2Å; A478-E480 PolarHBondContact O-N 3.44Å; A478-E480 VanDerWaalsContact O-N 3.14Å; A478-L481 HydrophobicContact CB-CB 4.26Å; A478-L481 PolarHBondContact O-N 3.23Å; A478-A482 PolarHBondContact O-N 3.25Å | ||
| 479 | P | 74.2 | Confident | 81.1 | Confident | 98 Ų | 98 | 77 Ų | 77 | 64% | 0.636 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -58.7 | -27.6 | 179.7 | 24.6 | -34.4 | 0 | 0 | 0 | 113.4 | L481 A482 S483 | P479-L481 VanDerWaalsContact C-N 3.33Å; P479-L481 PolarHBondContact O-N 3.26Å; P479-A482 PolarHBondContact O-N 3.03Å; P479-S483 WeakPolarHBondContact O-CB 3.2Å; P479-S483 PolarHBondContact O-N 3.35Å |
| 480 | E | 79.3 | Confident | 80.9 | Confident | 170 Ų | 170 | 79.4 Ų | 79.4 | 79% | 0.794 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.5 | -39.8 | 174.5 | -63.9 | -177.8 | 179.9 | 0 | 0 | 112.3 | A478 S483 A484 | A478-E480 PolarHBondContact O-N 3.44Å; A478-E480 VanDerWaalsContact O-N 3.14Å; E480-S483 PolarHBondContact O-N 2.99Å; E480-A484 PolarHBondContact O-N 3.11Å |
| 481 | L | 80.6 | Confident | 81 | Confident | 96 Ų | 96 | 80 Ų | 80 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -73.2 | -38.8 | 179.7 | -143.1 | 95 | 0 | 0 | 0 | 111.1 | T468 L472 A478 P479 A484 I485 | T468-L481 HydrophobicContact CG2-CD2 4.01Å; L472-L481 HydrophobicContact CD1-CB 3.88Å; L472-L481 HydrophobicContact CD1-CD2 3.92Å; L472-L481 HydrophobicContact CD1-CG 4.46Å; A478-L481 HydrophobicContact CB-CB 4.26Å; A478-L481 PolarHBondContact O-N 3.23Å; P479-L481 VanDerWaalsContact C-N 3.33Å; P479-L481 PolarHBondContact O-N 3.26Å; L481-A484 PolarHBondContact O-N 3.21Å; L481-I485 WeakPolarHBondContact O-CG1 3.49Å; L481-I485 PolarHBondContact O-N 3.32Å; L481-I485 VanDerWaalsContact O-N 3.13Å |
| 482 | A | 78 | Confident | 81 | Confident | 15 Ų | 15 | 76 Ų | 76 | 12% | 0.124 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L472 A478 P479 A484 I485 D486 | L472-A482 HydrophobicContact CB-CB 4.28Å; L472-A482 HydrophobicContact CD1-CB 4.32Å; A478-A482 PolarHBondContact O-N 3.25Å; P479-A482 PolarHBondContact O-N 3.03Å; A482-A484 VanDerWaalsContact C-N 3.33Å; A482-A484 PolarHBondContact O-N 2.84Å; A482-I485 PolarHBondContact O-N 3.21Å; A482-I485 VanDerWaalsContact O-N 3.13Å; A482-D486 PolarHBondContact O-N 2.92Å |
| 483 | S | 79.4 | Confident | 81 | Confident | 53 Ų | 53 | 76.8 Ų | 76.8 | 37% | 0.371 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 175.5 | -170.5 | 0 | 0 | 0 | 0 | 112.5 | P479 E480 I485 D486 Q487 | P479-S483 WeakPolarHBondContact O-CB 3.2Å; P479-S483 PolarHBondContact O-N 3.35Å; E480-S483 PolarHBondContact O-N 2.99Å; S483-I485 VanDerWaalsContact C-N 3.34Å; S483-I485 PolarHBondContact O-N 3.49Å; S483-D486 PolarHBondContact O-N 2.9Å; S483-Q487 VanDerWaalsContact O-CG 3.31Å; S483-Q487 WeakPolarHBondContact O-CG 3.44Å; S483-Q487 PolarHBondContact O-N 2.82Å |
| 484 | A | 86.7 | Confident | 81.4 | Confident | 47 Ų | 47 | 79.8 Ų | 79.8 | 39% | 0.388 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.3 | -38 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E480 L481 A482 S488 | E480-A484 PolarHBondContact O-N 3.11Å; L481-A484 PolarHBondContact O-N 3.21Å; A482-A484 VanDerWaalsContact C-N 3.33Å; A482-A484 PolarHBondContact O-N 2.84Å; A484-S488 WeakPolarHBondContact O-CB 3.36Å; A484-S488 PolarHBondContact O-N 3.28Å; A484-S488 VanDerWaalsContact O-N 3.08Å; A484-S488 PolarHBondContact O-OG 2.99Å |
| 485 | I | 85.9 | Confident | 81.9 | Confident | 21 Ų | 21 | 76.9 Ų | 76.9 | 11% | 0.108 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67.4 | -43.3 | 173.9 | -62.1 | 167.9 | 0 | 0 | 0 | 110.3 | T425 L429 T468 W469 L481 A482 S483 Q487 S488 A489 | T425-I485 HydrophobicContact CG2-CG2 3.95Å; L429-I485 HydrophobicContact CD1-CG2 3.97Å; T468-I485 HydrophobicContact CG2-CD1 4.17Å; W469-I485 HydrophobicContact CB-CD1 4.02Å; W469-I485 HydrophobicContact CB-CG2 4.14Å; W469-I485 HydrophobicContact CG-CG2 4.25Å; L481-I485 WeakPolarHBondContact O-CG1 3.49Å; L481-I485 PolarHBondContact O-N 3.32Å; L481-I485 VanDerWaalsContact O-N 3.13Å; A482-I485 PolarHBondContact O-N 3.21Å; A482-I485 VanDerWaalsContact O-N 3.13Å; S483-I485 VanDerWaalsContact C-N 3.34Å; S483-I485 PolarHBondContact O-N 3.49Å; I485-Q487 PolarHBondContact O-N 3.47Å; I485-S488 WeakPolarHBondContact O-CB 3.42Å; I485-S488 PolarHBondContact O-N 2.89Å; I485-A489 PolarHBondContact O-N 2.92Å |
| 486 | D | 84.7 | Confident | 82.1 | Confident | 50 Ų | 50 | 78.3 Ų | 78.3 | 27% | 0.267 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 177.8 | -67.7 | -30.5 | 0 | 0 | 0 | 112.3 | T425 W469 A482 S483 S488 A489 E490 | T425-D486 VanDerWaalsContact CB-OD1 3.22Å; T425-D486 WeakPolarHBondContact CB-OD1 3.35Å; T425-D486 VanDerWaalsContact CG2-OD1 3.29Å; T425-D486 WeakPolarHBondContact CG2-OD1 3.35Å; T425-D486 PolarHBondContact OG1-OD1 2.86Å; W469-D486 PolarHBondContact NE1-OD1 3.03Å; A482-D486 PolarHBondContact O-N 2.92Å; S483-D486 PolarHBondContact O-N 2.9Å; D486-S488 VanDerWaalsContact C-N 3.33Å; D486-S488 PolarHBondContact O-N 3.42Å; D486-A489 PolarHBondContact O-N 3.01Å; D486-E490 WeakPolarHBondContact O-CB 3.16Å; D486-E490 PolarHBondContact O-N 2.95Å |
| 487 | Q | 87 | Confident | 82.7 | Confident | 130 Ų | 130 | 77.1 Ų | 77.1 | 61% | 0.607 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.4 | -39.2 | 174.7 | -73 | 177.3 | 21.1 | 0 | 0 | 111.8 | S483 I485 E490 L491 | S483-Q487 VanDerWaalsContact O-CG 3.31Å; S483-Q487 WeakPolarHBondContact O-CG 3.44Å; S483-Q487 PolarHBondContact O-N 2.82Å; I485-Q487 PolarHBondContact O-N 3.47Å; Q487-E490 PolarHBondContact O-N 3.44Å; Q487-L491 WeakPolarHBondContact O-CB 3.31Å; Q487-L491 PolarHBondContact O-N 2.92Å |
| 488 | S | 87.1 | Confident | 83.5 | Confident | 74 Ų | 74 | 72 Ų | 72 | 52% | 0.517 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 176.7 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | A484 I485 D486 E490 L491 V492 | A484-S488 WeakPolarHBondContact O-CB 3.36Å; A484-S488 PolarHBondContact O-N 3.28Å; A484-S488 VanDerWaalsContact O-N 3.08Å; A484-S488 PolarHBondContact O-OG 2.99Å; I485-S488 WeakPolarHBondContact O-CB 3.42Å; I485-S488 PolarHBondContact O-N 2.89Å; D486-S488 VanDerWaalsContact C-N 3.33Å; D486-S488 PolarHBondContact O-N 3.42Å; S488-E490 VanDerWaalsContact C-N 3.32Å; S488-E490 PolarHBondContact O-N 3.28Å; S488-L491 WeakPolarHBondContact O-CB 3.35Å; S488-L491 PolarHBondContact O-N 3.46Å; S488-V492 WeakPolarHBondContact O-CG2 3.22Å; S488-V492 PolarHBondContact O-N 2.83Å |
| 489 | A | 86.1 | Confident | 83.8 | Confident | 2 Ų | 2 | 72 Ų | 72 | 2% | 0.017 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T425 V428 I485 D486 L491 V492 I493 | T425-A489 HydrophobicContact CG2-CB 3.93Å; V428-A489 HydrophobicContact CB-CB 4.1Å; V428-A489 HydrophobicContact CG1-CB 3.91Å; V428-A489 HydrophobicContact CG2-CB 4.49Å; I485-A489 PolarHBondContact O-N 2.92Å; D486-A489 PolarHBondContact O-N 3.01Å; A489-L491 VanDerWaalsContact C-N 3.32Å; A489-L491 PolarHBondContact O-N 3.36Å; A489-V492 PolarHBondContact O-N 2.82Å; A489-I493 PolarHBondContact O-N 2.87Å |
| 490 | E | 86 | Confident | 84 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 31% | 0.308 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 174.6 | -170.2 | 163.7 | 154.9 | 0 | 0 | 112.4 | R424 D486 Q487 S488 V492 I493 K494 | R424-E490 IonicContact CZ-OE2 2.79Å; R424-E490 IonicContact NH1-OE2 2.66Å; R424-E490 IonicContact NH2-OE2 3.73Å; R424-E490 PolarHBondContact NH2-OE2 3.38Å; D486-E490 WeakPolarHBondContact O-CB 3.16Å; D486-E490 PolarHBondContact O-N 2.95Å; Q487-E490 PolarHBondContact O-N 3.44Å; S488-E490 VanDerWaalsContact C-N 3.32Å; S488-E490 PolarHBondContact O-N 3.28Å; E490-V492 VanDerWaalsContact C-N 3.34Å; E490-I493 PolarHBondContact O-N 3.01Å; E490-K494 HydrophobicContact CG-CD 4.29Å; E490-K494 WeakPolarHBondContact O-CB 3.23Å; E490-K494 WeakPolarHBondContact O-CG 3.43Å; E490-K494 PolarHBondContact O-N 3.42Å; E490-K494 WeakPolarHBondContact OE1-CE 3.23Å; E490-K494 IonicContact OE1-NZ 3.2Å; E490-K494 PolarHBondContact OE1-NZ 3.25Å |
| 491 | L | 88.6 | Confident | 83.9 | Confident | 94 Ų | 94 | 67 Ų | 67 | 49% | 0.492 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 177.2 | -164.1 | 137 | 0 | 0 | 0 | 111.4 | Q487 S488 A489 K494 K495 | Q487-L491 WeakPolarHBondContact O-CB 3.31Å; Q487-L491 PolarHBondContact O-N 2.92Å; S488-L491 WeakPolarHBondContact O-CB 3.35Å; S488-L491 PolarHBondContact O-N 3.46Å; A489-L491 VanDerWaalsContact C-N 3.32Å; A489-L491 PolarHBondContact O-N 3.36Å; L491-K494 PolarHBondContact O-N 3.44Å; L491-K495 HydrophobicContact CD2-CD 3.81Å; L491-K495 HydrophobicContact CD2-CG 4.41Å; L491-K495 HydrophobicContact CG-CD 4.19Å; L491-K495 HydrophobicContact CG-CG 4.48Å; L491-K495 WeakPolarHBondContact O-CB 3.48Å; L491-K495 PolarHBondContact O-N 2.94Å |
| 492 | V | 86.5 | Confident | 83.7 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 25% | 0.248 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 172 | 173.9 | 0 | 0 | 0 | 0 | 111 | V428 V432 S488 A489 E490 K494 V496 F497 | V428-V492 HydrophobicContact CG1-CB 4.18Å; V428-V492 HydrophobicContact CG1-CG1 4.06Å; V432-V492 HydrophobicContact CG2-CG1 3.93Å; S488-V492 WeakPolarHBondContact O-CG2 3.22Å; S488-V492 PolarHBondContact O-N 2.83Å; A489-V492 PolarHBondContact O-N 2.82Å; E490-V492 VanDerWaalsContact C-N 3.34Å; V492-K494 PolarHBondContact O-N 2.92Å; V492-V496 HydrophobicContact CG1-CB 4.35Å; V492-V496 HydrophobicContact CG1-CG2 4.4Å; V492-V496 WeakPolarHBondContact O-CA 3.27Å; V492-V496 VanDerWaalsContact O-CB 3.23Å; V492-V496 WeakPolarHBondContact O-CB 3.49Å; V492-V496 PolarHBondContact O-N 3.33Å; V492-F497 HydrophobicContact CG1-CE1 4.33Å; V492-F497 HydrophobicContact CG1-CE2 4.19Å; V492-F497 HydrophobicContact CG1-CZ 4.05Å; V492-F497 PolarHBondContact O-N 3.49Å |
| 493 | I | 84.1 | Confident | 83.6 | Confident | 34 Ų | 34 | 73.1 Ų | 73.1 | 17% | 0.174 | 39% | 0.39 | C | S | . | . | I | π-helix | trans | -58.1 | -52.3 | 176.1 | -69.3 | 165.4 | 0 | 0 | 0 | 110.5 | R424 V428 A489 E490 K495 F497 N498 | R424-I493 HydrophobicContact CG-CD1 4.11Å; V428-I493 HydrophobicContact CG2-CD1 3.39Å; V428-I493 HydrophobicContact CG2-CG1 3.52Å; A489-I493 PolarHBondContact O-N 2.87Å; E490-I493 PolarHBondContact O-N 3.01Å; I493-K495 PolarHBondContact O-N 3.32Å; I493-F497 HydrophobicContact CG1-CD2 4.12Å; I493-F497 PolarHBondContact O-N 2.91Å; I493-N498 WeakPolarHBondContact O-CB 3.25Å; I493-N498 PolarHBondContact O-N 3.15Å |
| 494 | K | 85.6 | Confident | 83.4 | Confident | 124 Ų | 124 | 75.7 Ų | 75.7 | 54% | 0.539 | 40% | 0.403 | S | S | . | . | I | π-helix | trans | -65.9 | -40.3 | -173.9 | -75.7 | -178.7 | -176.3 | 168.3 | 0 | 112.7 | E490 L491 V492 P499 | E490-K494 HydrophobicContact CG-CD 4.29Å; E490-K494 WeakPolarHBondContact O-CB 3.23Å; E490-K494 WeakPolarHBondContact O-CG 3.43Å; E490-K494 PolarHBondContact O-N 3.42Å; E490-K494 WeakPolarHBondContact OE1-CE 3.23Å; E490-K494 IonicContact OE1-NZ 3.2Å; E490-K494 PolarHBondContact OE1-NZ 3.25Å; L491-K494 PolarHBondContact O-N 3.44Å; V492-K494 PolarHBondContact O-N 2.92Å; K494-P499 WeakPolarHBondContact O-CD 3.32Å |
| 495 | K | 87.4 | Confident | 82.5 | Confident | 149 Ų | 149 | 75.2 Ų | 75.2 | 65% | 0.648 | 40% | 0.403 | S | S | * | . | I | π-helix | trans | -93.4 | -27.5 | -174.4 | -67.3 | -166.8 | 180 | -178.9 | 0 | 114.5 | L491 I493 P499 | L491-K495 HydrophobicContact CD2-CD 3.81Å; L491-K495 HydrophobicContact CD2-CG 4.41Å; L491-K495 HydrophobicContact CG-CD 4.19Å; L491-K495 HydrophobicContact CG-CG 4.48Å; L491-K495 WeakPolarHBondContact O-CB 3.48Å; L491-K495 PolarHBondContact O-N 2.94Å; I493-K495 PolarHBondContact O-N 3.32Å; K495-P499 WeakPolarHBondContact O-CG 3.49Å |
| 496 | V | 84 | Confident | 81.8 | Confident | 80 Ų | 80 | 80 Ų | 80 | 49% | 0.485 | 43% | 0.429 | S | S | . | . | I | π-helix | trans | -111 | -61.2 | -173.6 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | V492 P499 A500 | V492-V496 HydrophobicContact CG1-CB 4.35Å; V492-V496 HydrophobicContact CG1-CG2 4.4Å; V492-V496 WeakPolarHBondContact O-CA 3.27Å; V492-V496 VanDerWaalsContact O-CB 3.23Å; V492-V496 WeakPolarHBondContact O-CB 3.49Å; V492-V496 PolarHBondContact O-N 3.33Å; V496-P499 WeakPolarHBondContact O-CD 3.32Å; V496-A500 WeakPolarHBondContact O-CB 3.3Å; V496-A500 PolarHBondContact O-N 3.27Å |
| 497 | F | 83.4 | Confident | 80.9 | Confident | 36 Ų | 36 | 86 Ų | 86 | 16% | 0.158 | 45% | 0.448 | C | S | . | . | I | π-helix | trans | -71.7 | -44.7 | -171.4 | -62.5 | -19.9 | 0 | 0 | 0 | 113.1 | V428 V431 V432 I435 V492 I493 A500 I501 | V428-F497 HydrophobicContact CG1-CE2 4Å; V428-F497 HydrophobicContact CG2-CE2 4.46Å; V431-F497 HydrophobicContact CB-CE2 4.27Å; V431-F497 HydrophobicContact CB-CZ 3.95Å; V431-F497 HydrophobicContact CG1-CE1 3.98Å; V431-F497 HydrophobicContact CG1-CE2 4.06Å; V431-F497 HydrophobicContact CG1-CZ 3.44Å; V431-F497 VanDerWaalsContact CG1-CZ 3.44Å; V432-F497 HydrophobicContact CG2-CZ 4.06Å; I435-F497 HydrophobicContact CD1-CE1 3.87Å; I435-F497 HydrophobicContact CD1-CZ 4.44Å; V492-F497 HydrophobicContact CG1-CE1 4.33Å; V492-F497 HydrophobicContact CG1-CE2 4.19Å; V492-F497 HydrophobicContact CG1-CZ 4.05Å; V492-F497 PolarHBondContact O-N 3.49Å; I493-F497 HydrophobicContact CG1-CD2 4.12Å; I493-F497 PolarHBondContact O-N 2.91Å; F497-A500 PolarHBondContact O-N 2.98Å; F497-I501 WeakPolarHBondContact O-CB 3.33Å; F497-I501 VanDerWaalsContact O-CG1 3.26Å; F497-I501 WeakPolarHBondContact O-CG1 3.44Å; F497-I501 PolarHBondContact O-N 3.19Å |
| 498 | N | 82 | Confident | 79.8 | Confident | 77 Ų | 77 | 81.1 Ų | 81.1 | 41% | 0.412 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | -179.7 | -75.9 | -5.9 | 0 | 0 | 0 | 112.6 | I493 K502 | I493-N498 WeakPolarHBondContact O-CB 3.25Å; I493-N498 PolarHBondContact O-N 3.15Å; N498-K502 WeakPolarHBondContact O-CG 3.37Å; N498-K502 PolarHBondContact O-N 2.92Å; N498-K502 VanDerWaalsContact O-N 3.16Å |
| 499 | P | 83.1 | Confident | 78.2 | Confident | 55 Ų | 55 | 83.2 Ų | 83.2 | 36% | 0.357 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 172.7 | -25.6 | 37.3 | 0 | 0 | 0 | 113.1 | K494 K495 V496 I501 K502 I503 | K494-P499 WeakPolarHBondContact O-CD 3.32Å; K495-P499 WeakPolarHBondContact O-CG 3.49Å; V496-P499 WeakPolarHBondContact O-CD 3.32Å; P499-I501 PolarHBondContact O-N 3.42Å; P499-K502 PolarHBondContact O-N 2.85Å; P499-I503 VanDerWaalsContact O-CG1 3.29Å; P499-I503 WeakPolarHBondContact O-CG1 3.48Å; P499-I503 PolarHBondContact O-N 2.91Å |
| 500 | A | 78.7 | Confident | 76.9 | Confident | 45 Ų | 45 | 86.2 Ų | 86.2 | 37% | 0.372 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V496 F497 K502 I503 V504 | V496-A500 WeakPolarHBondContact O-CB 3.3Å; V496-A500 PolarHBondContact O-N 3.27Å; F497-A500 PolarHBondContact O-N 2.98Å; A500-K502 VanDerWaalsContact C-N 3.33Å; A500-K502 PolarHBondContact O-N 3.11Å; A500-I503 PolarHBondContact O-N 3.45Å; A500-V504 WeakPolarHBondContact O-CG2 3.29Å; A500-V504 PolarHBondContact O-N 3.49Å |
| 501 | I | 77.4 | Confident | 75.5 | Confident | 118 Ų | 118 | 90.7 Ų | 90.7 | 61% | 0.605 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.5 | -42 | 176.2 | -68.1 | 166.8 | 0 | 0 | 0 | 110.5 | F497 P499 V504 G505 | F497-I501 WeakPolarHBondContact O-CB 3.33Å; F497-I501 VanDerWaalsContact O-CG1 3.26Å; F497-I501 WeakPolarHBondContact O-CG1 3.44Å; F497-I501 PolarHBondContact O-N 3.19Å; P499-I501 PolarHBondContact O-N 3.42Å; I501-V504 PolarHBondContact O-N 3.06Å; I501-G505 PolarHBondContact O-N 2.97Å |
| 502 | K | 76 | Confident | 73.9 | Confident | 147 Ų | 147 | 92.3 Ų | 92.3 | 64% | 0.639 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.5 | -40.5 | 175.5 | -76.3 | -177.3 | 178.9 | -175 | 0 | 112.5 | N498 P499 A500 N506 | N498-K502 WeakPolarHBondContact O-CG 3.37Å; N498-K502 PolarHBondContact O-N 2.92Å; N498-K502 VanDerWaalsContact O-N 3.16Å; P499-K502 PolarHBondContact O-N 2.85Å; A500-K502 VanDerWaalsContact C-N 3.33Å; A500-K502 PolarHBondContact O-N 3.11Å; K502-N506 VanDerWaalsContact O-CB 3.23Å; K502-N506 WeakPolarHBondContact O-CB 3.36Å; K502-N506 PolarHBondContact O-N 3.49Å |
| 503 | I | 77.2 | Confident | 72.4 | Confident | 93 Ų | 93 | 94.4 Ų | 94.4 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -45.3 | 178.4 | -68.4 | 164.7 | 0 | 0 | 0 | 110.7 | P499 A500 R507 | P499-I503 VanDerWaalsContact O-CG1 3.29Å; P499-I503 WeakPolarHBondContact O-CG1 3.48Å; P499-I503 PolarHBondContact O-N 2.91Å; A500-I503 PolarHBondContact O-N 3.45Å; I503-R507 WeakPolarHBondContact O-CB 3.42Å; I503-R507 WeakPolarHBondContact O-CG 3.29Å; I503-R507 PolarHBondContact O-N 3Å |
| 504 | V | 74.5 | Confident | 70.7 | Confident | 106 Ų | 106 | 95.1 Ų | 95.1 | 64% | 0.642 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.9 | -43.4 | 178.5 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | A500 I501 R507 G508 | A500-V504 WeakPolarHBondContact O-CG2 3.29Å; A500-V504 PolarHBondContact O-N 3.49Å; I501-V504 PolarHBondContact O-N 3.06Å; V504-R507 PolarHBondContact O-N 3.04Å; V504-G508 PolarHBondContact O-N 3.33Å |
| 505 | G | 68.5 | Low | 68.7 | Low | 38 Ų | 38 | 92 Ų | 92 | 39% | 0.392 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | I501 R507 G508 M509 | I501-G505 PolarHBondContact O-N 2.97Å; G505-R507 PolarHBondContact O-N 3.36Å; G505-G508 PolarHBondContact O-N 3.41Å; G505-M509 WeakPolarHBondContact O-CB 3.34Å; G505-M509 PolarHBondContact O-N 3.47Å |
| 506 | N | 70.8 | Confident | 66.7 | Low | 120 Ų | 120 | 91.6 Ų | 91.6 | 64% | 0.642 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.6 | -34.8 | 177.1 | -73.4 | -4.5 | 0 | 0 | 0 | 112.2 | K502 A510 | K502-N506 VanDerWaalsContact O-CB 3.23Å; K502-N506 WeakPolarHBondContact O-CB 3.36Å; K502-N506 PolarHBondContact O-N 3.49Å; N506-A510 VanDerWaalsContact O-CB 3.23Å; N506-A510 WeakPolarHBondContact O-CB 3.4Å; N506-A510 PolarHBondContact O-N 2.76Å |
| 507 | R | 65 | Low | 64.6 | Low | 178 Ų | 178 | 94.7 Ų | 94.7 | 67% | 0.672 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.7 | -38.5 | 174.9 | -76.6 | -177.9 | 176.8 | 178.4 | -0.1 | 112.6 | I503 V504 G505 A510 Q511 | I503-R507 WeakPolarHBondContact O-CB 3.42Å; I503-R507 WeakPolarHBondContact O-CG 3.29Å; I503-R507 PolarHBondContact O-N 3Å; V504-R507 PolarHBondContact O-N 3.04Å; G505-R507 PolarHBondContact O-N 3.36Å; R507-A510 PolarHBondContact O-N 3.37Å; R507-Q511 WeakPolarHBondContact O-CB 3.27Å; R507-Q511 PolarHBondContact O-N 2.93Å |
| 508 | G | 64.8 | Low | 62.5 | Low | 27 Ų | 27 | 99.5 Ų | 99.5 | 28% | 0.278 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.3 | -44.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V504 G505 Q511 L512 | V504-G508 PolarHBondContact O-N 3.33Å; G505-G508 PolarHBondContact O-N 3.41Å; G508-Q511 PolarHBondContact O-N 3.01Å; G508-L512 WeakPolarHBondContact O-CB 3.47Å; G508-L512 WeakPolarHBondContact O-CD1 3.49Å; G508-L512 WeakPolarHBondContact O-CG 3.35Å; G508-L512 PolarHBondContact O-N 3.43Å |
| 509 | M | 53.2 | Low | 60.4 | Low | 118 Ų | 118 | 101.2 Ų | 101.2 | 58% | 0.581 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.3 | -39.2 | 173.3 | -80 | -70.5 | -77 | 0 | 0 | 112.4 | G505 Q511 L512 V513 | G505-M509 WeakPolarHBondContact O-CB 3.34Å; G505-M509 PolarHBondContact O-N 3.47Å; M509-Q511 VanDerWaalsContact C-N 3.33Å; M509-Q511 PolarHBondContact O-N 3.46Å; M509-L512 PolarHBondContact O-N 3.31Å; M509-V513 HydrophobicContact CE-CG2 4.41Å; M509-V513 VanDerWaalsContact O-CB 3.25Å; M509-V513 WeakPolarHBondContact O-CB 3.4Å; M509-V513 VanDerWaalsContact O-CG2 3.22Å; M509-V513 WeakPolarHBondContact O-CG2 3.26Å; M509-V513 PolarHBondContact O-N 3.28Å |
| 510 | A | 57.5 | Low | 58.3 | Low | 65 Ų | 65 | 106 Ų | 106 | 54% | 0.537 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.2 | -33.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N506 R507 G514 | N506-A510 VanDerWaalsContact O-CB 3.23Å; N506-A510 WeakPolarHBondContact O-CB 3.4Å; N506-A510 PolarHBondContact O-N 2.76Å; R507-A510 PolarHBondContact O-N 3.37Å; A510-G514 VanDerWaalsContact O-CA 3.32Å; A510-G514 WeakPolarHBondContact O-CA 3.37Å; A510-G514 PolarHBondContact O-N 2.99Å |
| 511 | Q | 56.8 | Low | 56.3 | Low | 159 Ų | 159 | 112.6 Ų | 112.6 | 74% | 0.743 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74.1 | -35.8 | 173.3 | -78.9 | -178 | -33.7 | 0 | 0 | 112.6 | R507 G508 M509 G515 | R507-Q511 WeakPolarHBondContact O-CB 3.27Å; R507-Q511 PolarHBondContact O-N 2.93Å; G508-Q511 PolarHBondContact O-N 3.01Å; M509-Q511 VanDerWaalsContact C-N 3.33Å; M509-Q511 PolarHBondContact O-N 3.46Å; Q511-G515 PolarHBondContact O-N 3.13Å |
| 512 | L | 55 | Low | 54.4 | Low | 128 Ų | 128 | 113.2 Ų | 113.2 | 67% | 0.67 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.4 | -35.1 | 176.2 | -76.6 | 163.2 | 0 | 0 | 0 | 112.9 | G508 M509 | G508-L512 WeakPolarHBondContact O-CB 3.47Å; G508-L512 WeakPolarHBondContact O-CD1 3.49Å; G508-L512 WeakPolarHBondContact O-CG 3.35Å; G508-L512 PolarHBondContact O-N 3.43Å; M509-L512 PolarHBondContact O-N 3.31Å |
| 513 | V | 55.9 | Low | 52.7 | Low | 86 Ų | 86 | 112.5 Ų | 112.5 | 52% | 0.521 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -87.9 | -34.6 | 179.8 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | M509 G515 | M509-V513 HydrophobicContact CE-CG2 4.41Å; M509-V513 VanDerWaalsContact O-CB 3.25Å; M509-V513 WeakPolarHBondContact O-CB 3.4Å; M509-V513 VanDerWaalsContact O-CG2 3.22Å; M509-V513 WeakPolarHBondContact O-CG2 3.26Å; M509-V513 PolarHBondContact O-N 3.28Å; V513-G515 VanDerWaalsContact C-N 3.32Å; V513-G515 PolarHBondContact O-N 3.45Å |
| 514 | G | 48.3 | Very low | 50.8 | Low | 49 Ų | 49 | 119 Ų | 119 | 51% | 0.505 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -75.9 | -15.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A510 N516 | A510-G514 VanDerWaalsContact O-CA 3.32Å; A510-G514 WeakPolarHBondContact O-CA 3.37Å; A510-G514 PolarHBondContact O-N 2.99Å; G514-N516 VanDerWaalsContact C-N 3.32Å |
| 515 | G | 43.5 | Very low | 48.8 | Very low | 57 Ų | 57 | 123.1 Ų | 123.1 | 59% | 0.588 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -13.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q511 V513 | Q511-G515 PolarHBondContact O-N 3.13Å; V513-G515 VanDerWaalsContact C-N 3.32Å; V513-G515 PolarHBondContact O-N 3.45Å |
| 516 | N | 44.9 | Very low | 47.9 | Very low | 142 Ų | 142 | 127.4 Ų | 127.4 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 14.2 | -176.2 | -78.7 | -17 | 0 | 0 | 0 | 114.2 | G514 | G514-N516 VanDerWaalsContact C-N 3.32Š|
| 517 | L | 40.3 | Very low | 46.7 | Very low | 144 Ų | 144 | 127.7 Ų | 127.7 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -138 | 41.2 | -176.5 | -79.3 | 169.2 | 0 | 0 | 0 | 113.5 | ||
| 518 | V | 39.9 | Very low | 45.6 | Very low | 138 Ų | 138 | 124.9 Ų | 124.9 | 84% | 0.836 | 73% | 0.726 | S | S | * | * | trans | -150.6 | 73 | 157.2 | -170 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 519 | S | 37.6 | Very low | 44.5 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | -138 | 60.8 | 165.1 | 67.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 520 | D | 37.9 | Very low | 44 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -152.5 | 132.6 | 156.5 | -135.1 | -13.2 | 0 | 0 | 0 | 109.8 | ||
| 521 | Q | 37.5 | Very low | 43.1 | Very low | 184 Ų | 184 | 135.9 Ų | 135.9 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | 86.3 | 64.7 | -177.9 | -50.1 | -155.2 | -11.2 | 0 | 0 | 118.6 | ||||
| 522 | T | 36.4 | Very low | 42.1 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -119.4 | 112.4 | 133.1 | 34.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 523 | T | 42 | Very low | 41.1 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 170.5 | 124.7 | 132.6 | 33.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 524 | R | 36.1 | Very low | 39.9 | Very low | 230 Ų | 230 | 138.8 Ų | 138.8 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | trans | 77.2 | 131.3 | 150.9 | -65.6 | 177.4 | 178.9 | -179.3 | 0.2 | 119.5 | ||||
| 525 | S | 34 | Very low | 39.1 | Very low | 192 Ų | 192 | 147 Ų | 147 | 100% | 1.343 | 84% | 0.84 | S | S | * | * | trans | 47.6 | 0 | 147 | 64.2 | 0 | 0 | 0 | 0 | 119.1 |
Retrieved 525 of 525 residues in 114 ms
(Link to these results)