| 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 | 40.6 | Very low | 80.7 | Confident | 242 Ų | 242 | 101.5 Ų | 101.5 | 100% | 1.192 | 49% | 0.486 | S | S | * | . | 0 | 122.2 | 0 | -86.8 | -176.2 | -102.3 | 0 | 0 | 106.7 | D3 | M1-D3 PolarHBondContact O-N 3.1Š| |||
| 2 | V | 45 | Very low | 81.9 | Confident | 127 Ų | 127 | 106.5 Ų | 106.5 | 77% | 0.77 | 51% | 0.508 | S | S | * | . | trans | -55.3 | 125 | 170.4 | -179.8 | 0 | 0 | 0 | 0 | 106.7 | E4 | V2-E4 PolarHBondContact O-N 3.28Š| ||
| 3 | D | 61.2 | Low | 83 | Confident | 40 Ų | 40 | 102.6 Ų | 102.6 | 21% | 0.214 | 49% | 0.492 | C | S | . | . | trans | -65.8 | 99.6 | 179.3 | -172.1 | -12.3 | 0 | 0 | 0 | 108.2 | M1 R5 S6 R321 | M1-D3 PolarHBondContact O-N 3.1Å; D3-R5 PolarHBondContact O-N 2.92Å; D3-R5 PolarHBondContact OD1-N 2.74Å; D3-S6 PolarHBondContact O-N 3.37Å; D3-S6 PolarHBondContact O-OG 3.19Å; D3-R321 IonicContact OD2-CZ 3.47Å; D3-R321 IonicContact OD2-NE 2.73Å; D3-R321 PolarHBondContact OD2-NE 3.15Å; D3-R321 IonicContact OD2-NH2 2.94Å; D3-R321 PolarHBondContact OD2-NH2 2.85Å | ||
| 4 | E | 80.6 | Confident | 83.8 | Confident | 177 Ų | 177 | 99.2 Ų | 99.2 | 83% | 0.827 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -4.8 | -174.7 | -66.4 | -179.5 | 168.9 | 0 | 0 | 113.9 | V2 | V2-E4 PolarHBondContact O-N 3.28Š|
| 5 | R | 92 | Very high | 84.2 | Confident | 103 Ų | 103 | 93.6 Ų | 93.6 | 39% | 0.389 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -24.3 | -178.4 | -65.8 | -179 | 174.5 | -171.1 | -3.4 | 113.5 | D3 K280 Y325 | D3-R5 PolarHBondContact O-N 2.92Å; D3-R5 PolarHBondContact OD1-N 2.74Å; R5-K280 WeakPolarHBondContact CD-O 3.49Å; R5-K280 PolarHBondContact NH1-O 3.09Å; R5-Y325 PolarHBondContact O-N 3.23Å |
| 6 | S | 94 | Very high | 84.3 | Confident | 11 Ų | 11 | 96 Ų | 96 | 8% | 0.077 | 48% | 0.478 | C | S | . | . | B | Isolated β-bridge | trans | -105.7 | 140.9 | -178.6 | 61.2 | 0 | 0 | 0 | 0 | 112.1 | D3 R321 L323 Y325 | D3-S6 PolarHBondContact O-N 3.37Å; D3-S6 PolarHBondContact O-OG 3.19Å; S6-R321 VanDerWaalsContact CB-O 3.29Å; S6-R321 WeakPolarHBondContact CB-O 3.47Å; S6-L323 CarbonylContact C-O 3.1Å; S6-L323 WeakPolarHBondContact CA-O 3.39Å; S6-L323 WeakPolarHBondContact CB-O 3.28Å; S6-Y325 WeakPolarHBondContact O-CE2 3.42Å |
| 7 | I | 94.5 | Very high | 84.3 | Confident | 22 Ų | 22 | 98.4 Ų | 98.4 | 11% | 0.113 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 130.2 | 166.7 | -64.6 | 162.2 | 0 | 0 | 0 | 106.9 | N9 L323 Y325 F363 H370 | I7-N9 PolarHBondContact O-N 3.33Å; I7-L323 HydrophobicContact CB-CB 4.18Å; I7-L323 PolarHBondContact N-O 3.15Å; I7-Y325 HydrophobicContact CD1-CD1 3.88Å; I7-Y325 HydrophobicContact CD1-CE1 3.97Å; I7-Y325 HydrophobicContact CD1-CG 4.34Å; I7-Y325 HydrophobicContact CG1-CD1 3.59Å; I7-Y325 HydrophobicContact CG1-CD2 3.9Å; I7-Y325 HydrophobicContact CG1-CE1 3.41Å; I7-Y325 VanDerWaalsContact CG1-CE1 3.41Å; I7-Y325 HydrophobicContact CG1-CE2 3.71Å; I7-Y325 HydrophobicContact CG1-CG 3.83Å; I7-Y325 VanDerWaalsContact CG1-CZ 3.46Å; I7-F363 HydrophobicContact CD1-CE2 4.26Å; I7-F363 HydrophobicContact CD1-CZ 3.59Å; I7-F363 HydrophobicContact CG2-CE2 4.4Å; I7-H370 HydrophobicContact CD1-CB 4.05Å |
| 8 | P | 93.9 | Very high | 84.4 | Confident | 75 Ų | 75 | 95.6 Ų | 95.6 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 125.2 | 177.2 | -26.4 | 34.5 | 0 | 0 | 0 | 111.2 | R10 | P8-R10 PolarHBondContact O-N 3.06Š|
| 9 | N | 96 | Very high | 84.4 | Confident | 38 Ų | 38 | 93.3 Ų | 93.3 | 20% | 0.203 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 116.9 | 176.6 | -171.5 | -3.3 | 0 | 0 | 0 | 109.8 | I7 Y11 W319 L323 | I7-N9 PolarHBondContact O-N 3.33Å; N9-Y11 WeakPolarHBondContact OD1-CB 3.08Å; N9-Y11 WeakPolarHBondContact OD1-CD2 3.36Å; N9-Y11 PolarHBondContact OD1-N 3.25Å; N9-W319 VanDerWaalsContact ND2-CD2 3.33Å; N9-W319 VanDerWaalsContact ND2-CE2 3.33Å; N9-W319 WeakPolarHBondContact ND2-CZ2 3.28Å; N9-W319 PolarHBondContact ND2-O 3.24Å; N9-L323 HydrophobicContact CB-CD1 4.05Å |
| 10 | R | 94.9 | Very high | 84.2 | Confident | 226 Ų | 226 | 92.8 Ų | 92.8 | 85% | 0.853 | 46% | 0.464 | S | S | * | . | trans | -104.5 | -0.9 | -179.4 | -62 | -175.3 | -178.2 | -175.8 | -0.3 | 113 | P8 | P8-R10 PolarHBondContact O-N 3.06Š| ||
| 11 | Y | 95.5 | Very high | 84.2 | Confident | 56 Ų | 56 | 92.6 Ų | 92.6 | 22% | 0.22 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -74.6 | 136.1 | 174.1 | -57.9 | -63.8 | 0 | 0 | 0 | 109.2 | N9 L323 K359 E362 F363 | N9-Y11 WeakPolarHBondContact OD1-CB 3.08Å; N9-Y11 WeakPolarHBondContact OD1-CD2 3.36Å; N9-Y11 PolarHBondContact OD1-N 3.25Å; Y11-L323 HydrophobicContact CD2-CD1 4.43Å; Y11-L323 HydrophobicContact CE2-CD1 4.21Å; Y11-K359 HydrophobicContact CD1-CD 3.98Å; Y11-K359 HydrophobicContact CD2-CB 3.98Å; Y11-K359 WeakPolarHBondContact CE2-O 3.48Å; Y11-K359 HydrophobicContact CG-CB 4.01Å; Y11-K359 HydrophobicContact CG-CD 4.1Å; Y11-K359 HydrophobicContact CG-CG 4.27Å; Y11-E362 HydrophobicContact CE1-CG 4.32Å; Y11-F363 HydrophobicContact CE2-CB 4.02Å; Y11-F363 HydrophobicContact CE2-CD2 4.27Å; Y11-F363 WeakPolarHBondContact OH-CA 3.45Å; Y11-F363 WeakPolarHBondContact OH-CB 3.43Å; Y11-F363 PolarHBondContact OH-N 2.48Å |
| 12 | E | 95 | Very high | 86.6 | Confident | 161 Ų | 161 | 83.2 Ų | 83.2 | 75% | 0.752 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 138.2 | 166.9 | -66.8 | 175.5 | 172.9 | 0 | 0 | 108.8 | H355 | E12-H355 PolarHBondContact O-CE1 3.09Å; E12-H355 PolarHBondContact O-NE2 3.15Å |
| 13 | D | 95.6 | Very high | 88.9 | Confident | 56 Ų | 56 | 77.6 Ų | 77.6 | 30% | 0.299 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 169.7 | 175.3 | -158.6 | 3.7 | 0 | 0 | 0 | 110 | G15 W319 R356 | D13-G15 PolarHBondContact O-N 3.09Å; D13-W319 HydrophobicContact CB-CZ2 3.99Å; D13-W319 PolarHBondContact OD2-NE1 3.47Å; D13-R356 IonicContact OD1-CZ 3.95Å; D13-R356 IonicContact OD1-NE 3.11Å; D13-R356 PolarHBondContact OD1-NE 3.21Å; D13-R356 IonicContact OD1-NH2 2.98Å; D13-R356 IonicContact OD2-CZ 3.8Å; D13-R356 IonicContact OD2-NE 2.75Å; D13-R356 IonicContact OD2-NH2 2.93Å; D13-R356 PolarHBondContact OD2-NH2 3.5Å |
| 14 | F | 93.9 | Very high | 90.4 | Very high | 55 Ų | 55 | 76.5 Ų | 76.5 | 24% | 0.241 | 39% | 0.389 | C | S | . | . | trans | -62.5 | 112.9 | -179.7 | -172.3 | -99.2 | 0 | 0 | 0 | 111.4 | L18 Y23 A351 K352 H355 | F14-L18 HydrophobicContact CD2-CB 3.66Å; F14-L18 HydrophobicContact CD2-CD1 4.09Å; F14-L18 HydrophobicContact CE2-CB 3.45Å; F14-L18 VanDerWaalsContact CE2-CB 3.45Å; F14-L18 HydrophobicContact CG-CB 4.49Å; F14-L18 HydrophobicContact CZ-CB 4.15Å; F14-L18 WeakPolarHBondContact CZ-O 3.15Å; F14-Y23 HydrophobicContact CD2-CE2 4.39Å; F14-Y23 HydrophobicContact CE2-CE2 4.19Å; F14-A351 HydrophobicContact CE1-CB 4.34Å; F14-A351 HydrophobicContact CE2-CB 3.91Å; F14-A351 HydrophobicContact CZ-CB 3.68Å; F14-K352 HydrophobicContact CB-CB 3.92Å; F14-K352 HydrophobicContact CB-CG 3.92Å; F14-K352 HydrophobicContact CD1-CB 3.93Å; F14-K352 HydrophobicContact CG-CB 4.04Å; F14-H355 HydrophobicContact CB-CB 4.23Å; F14-H355 HydrophobicContact CD2-CB 3.77Å; F14-H355 HydrophobicContact CG-CB 4.4Å | ||
| 15 | G | 90.6 | Very high | 91 | Very high | 15 Ų | 15 | 68.7 Ų | 68.7 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | trans | -107.9 | 173.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D13 E17 L18 | D13-G15 PolarHBondContact O-N 3.09Å; G15-E17 PolarHBondContact O-N 3.09Å; G15-L18 PolarHBondContact O-N 2.99Å | ||
| 16 | P | 85.6 | Confident | 90.9 | Very high | 132 Ų | 132 | 70 Ų | 70 | 86% | 0.857 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.4 | -176.1 | 26.3 | -34 | 0 | 0 | 0 | 114.2 | L18 | P16-L18 VanDerWaalsContact C-N 3.32Š|
| 17 | E | 84.2 | Confident | 90.7 | Very high | 137 Ų | 137 | 75.7 Ų | 75.7 | 64% | 0.64 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -14.7 | 173.7 | 59.6 | -74.4 | 160.9 | 0 | 0 | 114.2 | G15 | G15-E17 PolarHBondContact O-N 3.09Š|
| 18 | L | 85.9 | Confident | 90.3 | Very high | 47 Ų | 47 | 76.6 Ų | 76.6 | 25% | 0.246 | 42% | 0.415 | C | S | . | . | trans | -95.2 | 140.1 | 177.9 | -64.4 | 172.6 | 0 | 0 | 0 | 110.2 | F14 G15 P16 | F14-L18 HydrophobicContact CD2-CB 3.66Å; F14-L18 HydrophobicContact CD2-CD1 4.09Å; F14-L18 HydrophobicContact CE2-CB 3.45Å; F14-L18 VanDerWaalsContact CE2-CB 3.45Å; F14-L18 HydrophobicContact CG-CB 4.49Å; F14-L18 HydrophobicContact CZ-CB 4.15Å; F14-L18 WeakPolarHBondContact CZ-O 3.15Å; G15-L18 PolarHBondContact O-N 2.99Å; P16-L18 VanDerWaalsContact C-N 3.32Å | ||
| 19 | S | 84.5 | Confident | 90 | Very high | 52 Ų | 52 | 79.9 Ų | 79.9 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | trans | -132.4 | 170.3 | 174.6 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | S21 C22 | S19-S21 PolarHBondContact O-N 3.19Å; S19-S21 PolarHBondContact OG-OG 3.13Å; S19-C22 VanDerWaalsContact O-CB 3.24Å; S19-C22 WeakPolarHBondContact O-CB 3.42Å; S19-C22 PolarHBondContact O-N 3.19Å; S19-C22 PolarHBondContact O-SG 3.26Å | ||
| 20 | E | 81.4 | Confident | 89.7 | Confident | 83 Ų | 83 | 81 Ų | 81 | 39% | 0.388 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -56.9 | -31.4 | 175.8 | -71.3 | -171.8 | 152.9 | 0 | 0 | 113 | C22 Y23 L24 A351 | E20-C22 PolarHBondContact O-N 2.81Å; E20-C22 VanDerWaalsContact O-N 3.12Å; E20-Y23 PolarHBondContact O-N 3.27Å; E20-L24 HydrophobicContact CB-CD1 4.17Å; E20-L24 PolarHBondContact O-N 3.01Å; E20-A351 HydrophobicContact CG-CB 3.46Å; E20-A351 VanDerWaalsContact CG-CB 3.46Å |
| 21 | S | 84.4 | Confident | 89.6 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 63% | 0.629 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -64.5 | -16.3 | 177.9 | 59 | 0 | 0 | 0 | 0 | 113.6 | S19 Y23 | S19-S21 PolarHBondContact O-N 3.19Å; S19-S21 PolarHBondContact OG-OG 3.13Å; S21-Y23 PolarHBondContact O-N 3.39Å |
| 22 | C | 89.6 | Confident | 89.6 | Confident | 45 Ų | 45 | 70.8 Ų | 70.8 | 30% | 0.304 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -67.6 | -19.7 | 170.5 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | S19 E20 N32 | S19-C22 VanDerWaalsContact O-CB 3.24Å; S19-C22 WeakPolarHBondContact O-CB 3.42Å; S19-C22 PolarHBondContact O-N 3.19Å; S19-C22 PolarHBondContact O-SG 3.26Å; E20-C22 PolarHBondContact O-N 2.81Å; E20-C22 VanDerWaalsContact O-N 3.12Å; C22-N32 VanDerWaalsContact C-ND2 3.26Å; C22-N32 PolarHBondContact O-ND2 3.19Å |
| 23 | Y | 93 | Very high | 89.5 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 4% | 0.035 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | -35.8 | -172.3 | -52 | -61.4 | 0 | 0 | 0 | 113.5 | F14 E20 S21 L31 N32 W35 H355 L358 | F14-Y23 HydrophobicContact CD2-CE2 4.39Å; F14-Y23 HydrophobicContact CE2-CE2 4.19Å; E20-Y23 PolarHBondContact O-N 3.27Å; S21-Y23 PolarHBondContact O-N 3.39Å; Y23-L31 CarbonylContact O-C 3.29Å; Y23-L31 VanDerWaalsContact O-CA 3.25Å; Y23-L31 WeakPolarHBondContact O-CA 3.35Å; Y23-L31 WeakPolarHBondContact O-CD2 3.42Å; Y23-N32 PolarHBondContact N-ND2 3.4Å; Y23-N32 PolarHBondContact O-N 2.93Å; Y23-W35 HydrophobicContact CD1-CZ2 4.46Å; Y23-W35 AromaticContact CD1-NE1 3.43Å; Y23-W35 HydrophobicContact CE1-CZ2 4.38Å; Y23-W35 AromaticContact CE1-NE1 3.9Å; Y23-H355 HydrophobicContact CE2-CB 3.87Å; Y23-H355 AromaticContact CZ-ND1 3.45Å; Y23-H355 PolarHBondContact OH-ND1 2.95Å; Y23-L358 HydrophobicContact CD1-CD1 3.3Å; Y23-L358 HydrophobicContact CE1-CD1 4.2Å; Y23-L358 HydrophobicContact CG-CD1 3.64Å |
| 24 | L | 93.6 | Very high | 89.5 | Confident | 17 Ų | 17 | 71.9 Ų | 71.9 | 9% | 0.089 | 41% | 0.412 | C | S | . | . | B | Isolated β-bridge | trans | -102.2 | 154.7 | -172.7 | -60.2 | -179 | 0 | 0 | 0 | 112.3 | E20 S30 L31 L354 | E20-L24 HydrophobicContact CB-CD1 4.17Å; E20-L24 PolarHBondContact O-N 3.01Å; L24-S30 CarbonylContact C-O 3.38Å; L24-S30 VanDerWaalsContact CA-O 3.26Å; L24-S30 WeakPolarHBondContact CA-O 3.45Å; L24-S30 WeakPolarHBondContact CD2-O 3.49Å; L24-L31 HydrophobicContact CD2-CD2 4.37Å; L24-L354 HydrophobicContact CD1-CD2 4.29Å; L24-L354 HydrophobicContact CD2-CD2 3.59Å; L24-L354 HydrophobicContact CG-CD2 3.87Å |
| 25 | S | 92.9 | Very high | 89.6 | Confident | 12 Ų | 12 | 69.8 Ų | 69.8 | 8% | 0.084 | 40% | 0.402 | C | S | . | . | trans | -60.8 | 162.6 | 168.2 | 79 | 0 | 0 | 0 | 0 | 110.8 | E27 G28 S30 | S25-E27 WeakPolarHBondContact CB-OE2 3.41Å; S25-E27 PolarHBondContact O-N 3.42Å; S25-E27 VanDerWaalsContact O-N 3.09Å; S25-E27 PolarHBondContact OG-N 2.8Å; S25-E27 PolarHBondContact OG-OE2 3.47Å; S25-G28 PolarHBondContact O-N 3.09Å; S25-S30 PolarHBondContact N-O 2.62Å | ||
| 26 | P | 89.5 | Confident | 89.7 | Confident | 131 Ų | 131 | 71.6 Ų | 71.6 | 85% | 0.851 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -29.6 | 176.2 | -27.3 | 36.4 | 0 | 0 | 0 | 114.2 | G28 | P26-G28 VanDerWaalsContact C-N 3.34Š|
| 27 | E | 89.6 | Confident | 90.1 | Very high | 131 Ų | 131 | 72.7 Ų | 72.7 | 61% | 0.612 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -11.6 | 177.9 | -53.7 | 72.3 | -152.3 | 0 | 0 | 113.3 | S25 I29 | S25-E27 WeakPolarHBondContact CB-OE2 3.41Å; S25-E27 PolarHBondContact O-N 3.42Å; S25-E27 VanDerWaalsContact O-N 3.09Å; S25-E27 PolarHBondContact OG-N 2.8Å; S25-E27 PolarHBondContact OG-OE2 3.47Å; E27-I29 HydrophobicContact CB-CD1 4.25Å; E27-I29 HydrophobicContact CB-CG1 4.04Å; E27-I29 HydrophobicContact CB-CG2 4.42Å; E27-I29 PolarHBondContact O-N 3.34Å |
| 28 | G | 87.3 | Confident | 90.7 | Very high | 40 Ų | 40 | 69.3 Ų | 69.3 | 41% | 0.412 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 72 | 8.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | S25 P26 | S25-G28 PolarHBondContact O-N 3.09Å; P26-G28 VanDerWaalsContact C-N 3.34Å |
| 29 | I | 86.3 | Confident | 91.1 | Very high | 144 Ų | 144 | 69 Ų | 69 | 74% | 0.738 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -97.3 | -18 | -173.4 | 65 | 178.6 | 0 | 0 | 0 | 114 | E27 | E27-I29 HydrophobicContact CB-CD1 4.25Å; E27-I29 HydrophobicContact CB-CG1 4.04Å; E27-I29 HydrophobicContact CB-CG2 4.42Å; E27-I29 PolarHBondContact O-N 3.34Å |
| 30 | S | 90 | Very high | 91.4 | Very high | 61 Ų | 61 | 70.4 Ų | 70.4 | 43% | 0.427 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -140.9 | 171.2 | 178.8 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | L24 S25 | L24-S30 CarbonylContact C-O 3.38Å; L24-S30 VanDerWaalsContact CA-O 3.26Å; L24-S30 WeakPolarHBondContact CA-O 3.45Å; L24-S30 WeakPolarHBondContact CD2-O 3.49Å; S25-S30 PolarHBondContact N-O 2.62Å |
| 31 | L | 93.7 | Very high | 92 | Very high | 42 Ų | 42 | 69.3 Ų | 69.3 | 22% | 0.22 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -63.6 | 152.9 | 166 | -63.9 | 174.3 | 0 | 0 | 0 | 110 | Y23 L24 W35 I39 L358 | Y23-L31 CarbonylContact O-C 3.29Å; Y23-L31 VanDerWaalsContact O-CA 3.25Å; Y23-L31 WeakPolarHBondContact O-CA 3.35Å; Y23-L31 WeakPolarHBondContact O-CD2 3.42Å; L24-L31 HydrophobicContact CD2-CD2 4.37Å; L31-W35 HydrophobicContact CB-CB 4.11Å; L31-W35 HydrophobicContact CD1-CB 4.28Å; L31-I39 HydrophobicContact CD1-CD1 3.36Å; L31-L358 HydrophobicContact CD1-CD2 4.34Å; L31-L358 HydrophobicContact CD2-CD1 4.14Å; L31-L358 HydrophobicContact CD2-CD2 4.19Å |
| 32 | N | 95 | Very high | 92.4 | Very high | 26 Ų | 26 | 66 Ų | 66 | 14% | 0.139 | 35% | 0.354 | C | S | . | . | trans | -68.2 | 164.7 | 171 | 65.6 | 28.6 | 0 | 0 | 0 | 111.4 | C22 Y23 E34 W35 D36 | C22-N32 VanDerWaalsContact C-ND2 3.26Å; C22-N32 PolarHBondContact O-ND2 3.19Å; Y23-N32 PolarHBondContact N-ND2 3.4Å; Y23-N32 PolarHBondContact O-N 2.93Å; N32-E34 PolarHBondContact O-N 2.8Å; N32-E34 VanDerWaalsContact O-N 3.12Å; N32-E34 PolarHBondContact OD1-N 3.2Å; N32-W35 PolarHBondContact O-N 3.22Å; N32-W35 PolarHBondContact OD1-N 2.89Å; N32-D36 WeakPolarHBondContact O-CB 3.09Å; N32-D36 PolarHBondContact O-N 3.19Å | ||
| 33 | D | 94 | Very high | 92.6 | Very high | 141 Ų | 141 | 65 Ų | 65 | 75% | 0.754 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -56.8 | -31.6 | -176.1 | -65.7 | -10.6 | 0 | 0 | 0 | 113.3 | R37 | D33-R37 WeakPolarHBondContact O-CB 3.14Å; D33-R37 PolarHBondContact O-N 3.39Å |
| 34 | E | 94.8 | Very high | 92.5 | Very high | 99 Ų | 99 | 67.9 Ų | 67.9 | 46% | 0.463 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.2 | -51.3 | 179.3 | -169.7 | -170.8 | 154.5 | 0 | 0 | 111.5 | N32 K38 | N32-E34 PolarHBondContact O-N 2.8Å; N32-E34 VanDerWaalsContact O-N 3.12Å; N32-E34 PolarHBondContact OD1-N 3.2Å; E34-K38 HydrophobicContact CG-CD 4.39Å; E34-K38 WeakPolarHBondContact O-CG 3.4Å; E34-K38 PolarHBondContact O-N 3.35Å; E34-K38 VanDerWaalsContact O-N 3.09Å; E34-K38 WeakPolarHBondContact OE1-CE 3.47Å; E34-K38 IonicContact OE1-NZ 3.77Å; E34-K38 PolarHBondContact OE1-NZ 3.02Å |
| 35 | W | 94.8 | Very high | 92.4 | Very high | 12 Ų | 12 | 70.3 Ų | 70.3 | 5% | 0.045 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.7 | -41.9 | 179.6 | -83.5 | 103.1 | 0 | 0 | 0 | 112.3 | Y23 L31 N32 R37 K38 I39 L358 E362 F365 | Y23-W35 HydrophobicContact CD1-CZ2 4.46Å; Y23-W35 AromaticContact CD1-NE1 3.43Å; Y23-W35 HydrophobicContact CE1-CZ2 4.38Å; Y23-W35 AromaticContact CE1-NE1 3.9Å; L31-W35 HydrophobicContact CB-CB 4.11Å; L31-W35 HydrophobicContact CD1-CB 4.28Å; N32-W35 PolarHBondContact O-N 3.22Å; N32-W35 PolarHBondContact OD1-N 2.89Å; W35-R37 VanDerWaalsContact C-N 3.33Å; W35-R37 PolarHBondContact O-N 2.96Å; W35-K38 PolarHBondContact O-N 2.92Å; W35-I39 HydrophobicContact CE3-CD1 4.42Å; W35-I39 WeakPolarHBondContact O-CB 3.32Å; W35-I39 WeakPolarHBondContact O-CG1 3.4Å; W35-I39 PolarHBondContact O-N 3.24Å; W35-L358 HydrophobicContact CD2-CD1 4.15Å; W35-L358 HydrophobicContact CD2-CD2 4.1Å; W35-L358 HydrophobicContact CE3-CB 4.35Å; W35-L358 HydrophobicContact CE3-CD2 3.79Å; W35-L358 HydrophobicContact CE3-CG 4.47Å; W35-L358 HydrophobicContact CG-CD1 4.4Å; W35-L358 HydrophobicContact CH2-CB 3.75Å; W35-L358 WeakPolarHBondContact CH2-O 3.28Å; W35-L358 HydrophobicContact CZ2-CB 3.96Å; W35-L358 HydrophobicContact CZ2-CD1 4.49Å; W35-L358 HydrophobicContact CZ3-CB 3.96Å; W35-L358 HydrophobicContact CZ3-CD2 4.1Å; W35-E362 HydrophobicContact CH2-CB 4.23Å; W35-F365 HydrophobicContact CE3-CE2 4.44Å; W35-F365 AromaticContact CZ3-CE2 3.89Å; W35-F365 HydrophobicContact CZ3-CE2 3.89Å; W35-F365 HydrophobicContact CZ3-CZ 4.16Å |
| 36 | D | 93.5 | Very high | 92.3 | Very high | 52 Ų | 52 | 70.3 Ų | 70.3 | 28% | 0.278 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.5 | -47.5 | 175.8 | -179.4 | 82.5 | 0 | 0 | 0 | 110.6 | N32 K38 I39 R40 | N32-D36 WeakPolarHBondContact O-CB 3.09Å; N32-D36 PolarHBondContact O-N 3.19Å; D36-K38 PolarHBondContact O-N 2.97Å; D36-I39 PolarHBondContact O-N 3.2Å; D36-R40 WeakPolarHBondContact O-CB 3.29Å; D36-R40 VanDerWaalsContact O-CG 3.29Å; D36-R40 WeakPolarHBondContact O-CG 3.35Å; D36-R40 PolarHBondContact O-N 3.17Å; D36-R40 IonicContact OD1-CZ 3.31Å; D36-R40 VanDerWaalsContact OD1-CZ 3.31Å; D36-R40 IonicContact OD1-NE 2.92Å; D36-R40 PolarHBondContact OD1-NE 2.93Å; D36-R40 IonicContact OD1-NH2 2.96Å; D36-R40 PolarHBondContact OD1-NH2 3.22Å; D36-R40 VanDerWaalsContact OD2-CD 3.29Å; D36-R40 WeakPolarHBondContact OD2-CD 3.46Å; D36-R40 IonicContact OD2-CZ 3.76Å; D36-R40 IonicContact OD2-NE 2.75Å; D36-R40 PolarHBondContact OD2-NE 2.66Å; D36-R40 IonicContact OD2-NH2 3.33Å |
| 37 | R | 94.5 | Very high | 92.4 | Very high | 155 Ų | 155 | 64.6 Ų | 64.6 | 59% | 0.585 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.4 | -45.3 | 176.6 | -176.5 | -176.7 | 59.3 | 79.3 | 3.4 | 112.7 | D33 W35 A41 | D33-R37 WeakPolarHBondContact O-CB 3.14Å; D33-R37 PolarHBondContact O-N 3.39Å; W35-R37 VanDerWaalsContact C-N 3.33Å; W35-R37 PolarHBondContact O-N 2.96Å; R37-A41 VanDerWaalsContact O-CB 3.3Å; R37-A41 WeakPolarHBondContact O-CB 3.38Å; R37-A41 PolarHBondContact O-N 3.34Å |
| 38 | K | 95.5 | Very high | 92.4 | Very high | 66 Ų | 66 | 63.4 Ų | 63.4 | 29% | 0.287 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 178.8 | -78.7 | 171.5 | 171.5 | 173.6 | 0 | 111.4 | E34 W35 D36 K42 F365 | E34-K38 HydrophobicContact CG-CD 4.39Å; E34-K38 WeakPolarHBondContact O-CG 3.4Å; E34-K38 PolarHBondContact O-N 3.35Å; E34-K38 VanDerWaalsContact O-N 3.09Å; E34-K38 WeakPolarHBondContact OE1-CE 3.47Å; E34-K38 IonicContact OE1-NZ 3.77Å; E34-K38 PolarHBondContact OE1-NZ 3.02Å; W35-K38 PolarHBondContact O-N 2.92Å; D36-K38 PolarHBondContact O-N 2.97Å; K38-K42 PolarHBondContact O-N 3.04Å; K38-K42 VanDerWaalsContact O-N 3.13Å; K38-F365 HydrophobicContact CB-CE2 3.93Å; K38-F365 HydrophobicContact CB-CZ 4.23Å |
| 39 | I | 94.3 | Very high | 92.4 | Very high | 40 Ų | 40 | 64.8 Ų | 64.8 | 21% | 0.205 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.9 | -48.4 | -179.4 | -70.5 | 169 | 0 | 0 | 0 | 110.4 | L31 W35 D36 A41 K42 I43 L358 F365 | L31-I39 HydrophobicContact CD1-CD1 3.36Å; W35-I39 HydrophobicContact CE3-CD1 4.42Å; W35-I39 WeakPolarHBondContact O-CB 3.32Å; W35-I39 WeakPolarHBondContact O-CG1 3.4Å; W35-I39 PolarHBondContact O-N 3.24Å; D36-I39 PolarHBondContact O-N 3.2Å; I39-A41 VanDerWaalsContact C-N 3.34Å; I39-A41 PolarHBondContact O-N 3.12Å; I39-K42 PolarHBondContact O-N 3.44Å; I39-K42 VanDerWaalsContact O-N 3.08Å; I39-I43 HydrophobicContact CG2-CD1 3.64Å; I39-I43 HydrophobicContact CG2-CG1 4.23Å; I39-I43 VanDerWaalsContact O-CG1 3.31Å; I39-I43 WeakPolarHBondContact O-CG1 3.29Å; I39-I43 PolarHBondContact O-N 3.2Å; I39-L358 HydrophobicContact CD1-CD2 4.18Å; I39-F365 HydrophobicContact CG1-CE1 4.24Å; I39-F365 HydrophobicContact CG1-CZ 3.75Å |
| 40 | R | 92.4 | Very high | 92.5 | Very high | 82 Ų | 82 | 58.3 Ų | 58.3 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 178.3 | -73.3 | -177.3 | -168 | -78.1 | -13.4 | 112.7 | D36 K42 I43 S44 | D36-R40 WeakPolarHBondContact O-CB 3.29Å; D36-R40 VanDerWaalsContact O-CG 3.29Å; D36-R40 WeakPolarHBondContact O-CG 3.35Å; D36-R40 PolarHBondContact O-N 3.17Å; D36-R40 IonicContact OD1-CZ 3.31Å; D36-R40 VanDerWaalsContact OD1-CZ 3.31Å; D36-R40 IonicContact OD1-NE 2.92Å; D36-R40 PolarHBondContact OD1-NE 2.93Å; D36-R40 IonicContact OD1-NH2 2.96Å; D36-R40 PolarHBondContact OD1-NH2 3.22Å; D36-R40 VanDerWaalsContact OD2-CD 3.29Å; D36-R40 WeakPolarHBondContact OD2-CD 3.46Å; D36-R40 IonicContact OD2-CZ 3.76Å; D36-R40 IonicContact OD2-NE 2.75Å; D36-R40 PolarHBondContact OD2-NE 2.66Å; D36-R40 IonicContact OD2-NH2 3.33Å; R40-K42 VanDerWaalsContact C-N 3.27Å; R40-K42 PolarHBondContact O-N 2.9Å; R40-I43 PolarHBondContact O-N 2.75Å; R40-S44 PolarHBondContact O-N 3.43Å; R40-S44 PolarHBondContact O-OG 3.5Å |
| 41 | A | 93.8 | Very high | 92.5 | Very high | 61 Ų | 61 | 58.1 Ų | 58.1 | 50% | 0.504 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.2 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R37 I39 E45 | R37-A41 VanDerWaalsContact O-CB 3.3Å; R37-A41 WeakPolarHBondContact O-CB 3.38Å; R37-A41 PolarHBondContact O-N 3.34Å; I39-A41 VanDerWaalsContact C-N 3.34Å; I39-A41 PolarHBondContact O-N 3.12Å; A41-E45 PolarHBondContact O-N 3.29Å; A41-E45 VanDerWaalsContact O-N 3.1Å |
| 42 | K | 93.1 | Very high | 92.2 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 9% | 0.087 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.6 | -39.6 | 177.4 | -164.6 | 71.9 | -170.2 | 173.3 | 0 | 112.8 | K38 I39 R40 E45 L46 F365 | K38-K42 PolarHBondContact O-N 3.04Å; K38-K42 VanDerWaalsContact O-N 3.13Å; I39-K42 PolarHBondContact O-N 3.44Å; I39-K42 VanDerWaalsContact O-N 3.08Å; R40-K42 VanDerWaalsContact C-N 3.27Å; R40-K42 PolarHBondContact O-N 2.9Å; K42-E45 WeakPolarHBondContact CD-OE2 3.25Å; K42-E45 VanDerWaalsContact NZ-CD 3.26Å; K42-E45 IonicContact NZ-OE1 3.95Å; K42-E45 PolarHBondContact NZ-OE1 3.46Å; K42-E45 VanDerWaalsContact NZ-OE1 3.09Å; K42-E45 IonicContact NZ-OE2 3.7Å; K42-E45 PolarHBondContact NZ-OE2 2.85Å; K42-E45 PolarHBondContact O-N 3.32Å; K42-L46 HydrophobicContact CG-CD1 4.09Å; K42-L46 HydrophobicContact CG-CG 4.31Å; K42-L46 WeakPolarHBondContact O-CB 3.48Å; K42-L46 WeakPolarHBondContact O-CG 3.33Å; K42-L46 PolarHBondContact O-N 2.83Å; K42-F365 HydrophobicContact CB-CD1 3.92Å; K42-F365 HydrophobicContact CB-CE1 4.06Å; K42-F365 HydrophobicContact CD-CB 4.41Å; K42-F365 HydrophobicContact CD-CD1 4.18Å; K42-F365 WeakPolarHBondContact CE-O 3.28Å; K42-F365 HydrophobicContact CG-CD1 3.76Å; K42-F365 HydrophobicContact CG-CE1 4.3Å; K42-F365 PolarHBondContact NZ-O 3.39Å |
| 43 | I | 92.2 | Very high | 91.9 | Very high | 25 Ų | 25 | 61.4 Ų | 61.4 | 13% | 0.128 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.9 | -52.9 | 173.8 | -71.9 | 170.5 | 0 | 0 | 0 | 109.2 | I39 R40 E45 L46 T47 M79 L83 L389 | I39-I43 HydrophobicContact CG2-CD1 3.64Å; I39-I43 HydrophobicContact CG2-CG1 4.23Å; I39-I43 VanDerWaalsContact O-CG1 3.31Å; I39-I43 WeakPolarHBondContact O-CG1 3.29Å; I39-I43 PolarHBondContact O-N 3.2Å; R40-I43 PolarHBondContact O-N 2.75Å; I43-E45 PolarHBondContact O-N 2.93Å; I43-L46 PolarHBondContact O-N 2.92Å; I43-T47 WeakPolarHBondContact O-CB 3.33Å; I43-T47 PolarHBondContact O-N 2.86Å; I43-T47 PolarHBondContact O-OG1 2.92Å; I43-M79 HydrophobicContact CG2-CE 4.08Å; I43-L83 HydrophobicContact CD1-CD1 3.91Å; I43-L83 HydrophobicContact CD1-CD2 4.3Å; I43-L83 HydrophobicContact CG2-CD1 3.83Å; I43-L389 HydrophobicContact CB-CD1 3.93Å; I43-L389 HydrophobicContact CG1-CD1 3.98Å; I43-L389 HydrophobicContact CG2-CD1 3.69Å |
| 44 | S | 91.3 | Very high | 91.5 | Very high | 69 Ų | 69 | 55.5 Ų | 55.5 | 48% | 0.483 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -55.5 | -48.7 | 177.5 | -64.1 | 0 | 0 | 0 | 0 | 112.5 | R40 L46 T47 E48 | R40-S44 PolarHBondContact O-N 3.43Å; R40-S44 PolarHBondContact O-OG 3.5Å; S44-L46 PolarHBondContact O-N 3.44Å; S44-T47 PolarHBondContact O-N 3Å; S44-E48 WeakPolarHBondContact O-CG 3.4Å; S44-E48 PolarHBondContact O-N 3.24Å |
| 45 | E | 92 | Very high | 91 | Very high | 68 Ų | 68 | 58 Ų | 58 | 32% | 0.318 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 178.4 | -172.7 | -153 | 135.8 | 0 | 0 | 112.4 | A41 K42 I43 K49 | A41-E45 PolarHBondContact O-N 3.29Å; A41-E45 VanDerWaalsContact O-N 3.1Å; K42-E45 WeakPolarHBondContact CD-OE2 3.25Å; K42-E45 VanDerWaalsContact NZ-CD 3.26Å; K42-E45 IonicContact NZ-OE1 3.95Å; K42-E45 PolarHBondContact NZ-OE1 3.46Å; K42-E45 VanDerWaalsContact NZ-OE1 3.09Å; K42-E45 IonicContact NZ-OE2 3.7Å; K42-E45 PolarHBondContact NZ-OE2 2.85Å; K42-E45 PolarHBondContact O-N 3.32Å; I43-E45 PolarHBondContact O-N 2.93Å; E45-K49 WeakPolarHBondContact O-CG 3.43Å; E45-K49 PolarHBondContact O-N 2.92Å; E45-K49 IonicContact OE1-NZ 2.74Å; E45-K49 PolarHBondContact OE1-NZ 2.83Å |
| 46 | L | 90.6 | Very high | 90.5 | Very high | 11 Ų | 11 | 62.3 Ų | 62.3 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -74.3 | -34.8 | -178.9 | -69.1 | -179.2 | 0 | 0 | 0 | 112.1 | K42 I43 S44 K49 L50 C388 L389 | K42-L46 HydrophobicContact CG-CD1 4.09Å; K42-L46 HydrophobicContact CG-CG 4.31Å; K42-L46 WeakPolarHBondContact O-CB 3.48Å; K42-L46 WeakPolarHBondContact O-CG 3.33Å; K42-L46 PolarHBondContact O-N 2.83Å; I43-L46 PolarHBondContact O-N 2.92Å; S44-L46 PolarHBondContact O-N 3.44Å; L46-K49 HydrophobicContact CD2-CD 4.48Å; L46-K49 PolarHBondContact O-N 3.48Å; L46-L50 VanDerWaalsContact O-CB 3.31Å; L46-L50 WeakPolarHBondContact O-CB 3.44Å; L46-L50 PolarHBondContact O-N 3.16Å; L46-C388 HydrophobicContact CD1-CB 3.84Å; L46-L389 HydrophobicContact CB-CD1 4.22Å |
| 47 | T | 90.7 | Very high | 89.9 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 174 | -61.9 | 0 | 0 | 0 | 0 | 111 | I43 S44 K49 L50 E51 F76 M79 | I43-T47 WeakPolarHBondContact O-CB 3.33Å; I43-T47 PolarHBondContact O-N 2.86Å; I43-T47 PolarHBondContact O-OG1 2.92Å; S44-T47 PolarHBondContact O-N 3Å; T47-K49 VanDerWaalsContact C-N 3.32Å; T47-K49 PolarHBondContact O-N 3.29Å; T47-L50 WeakPolarHBondContact O-CA 3.33Å; T47-L50 VanDerWaalsContact O-CB 3.3Å; T47-L50 WeakPolarHBondContact O-CB 3.41Å; T47-L50 PolarHBondContact O-N 3.04Å; T47-L50 VanDerWaalsContact O-N 3.12Å; T47-E51 HydrophobicContact CG2-CG 4.45Å; T47-E51 WeakPolarHBondContact O-CG 3.46Å; T47-E51 PolarHBondContact O-N 3.38Å; T47-F76 HydrophobicContact CG2-CE1 4.35Å; T47-M79 HydrophobicContact CG2-CE 4.18Å; T47-M79 VanDerWaalsContact OG1-CE 3.3Å; T47-M79 WeakPolarHBondContact OG1-CE 3.48Å |
| 48 | E | 90.1 | Very high | 89.4 | Confident | 107 Ų | 107 | 59.2 Ų | 59.2 | 50% | 0.5 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 175.8 | -73.1 | -179.7 | -165.1 | 0 | 0 | 112.4 | S44 L50 E51 R52 | S44-E48 WeakPolarHBondContact O-CG 3.4Å; S44-E48 PolarHBondContact O-N 3.24Å; E48-L50 VanDerWaalsContact C-N 3.3Å; E48-L50 PolarHBondContact O-N 3.02Å; E48-E51 PolarHBondContact O-N 3.46Å; E48-R52 WeakPolarHBondContact O-CG 3.21Å; E48-R52 PolarHBondContact O-N 3.28Å; E48-R52 VanDerWaalsContact O-N 3.1Å; E48-R52 IonicContact OE2-NH1 2.74Å |
| 49 | K | 87.9 | Confident | 89 | Confident | 69 Ų | 69 | 59 Ų | 59 | 30% | 0.3 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 175.4 | -75.1 | 173.7 | 176.9 | 173.3 | 0 | 111.6 | E45 L46 T47 R52 G53 | E45-K49 WeakPolarHBondContact O-CG 3.43Å; E45-K49 PolarHBondContact O-N 2.92Å; E45-K49 IonicContact OE1-NZ 2.74Å; E45-K49 PolarHBondContact OE1-NZ 2.83Å; L46-K49 HydrophobicContact CD2-CD 4.48Å; L46-K49 PolarHBondContact O-N 3.48Å; T47-K49 VanDerWaalsContact C-N 3.32Å; T47-K49 PolarHBondContact O-N 3.29Å; K49-R52 VanDerWaalsContact CG-NH2 3.27Å; K49-G53 PolarHBondContact O-N 3.21Å; K49-G53 VanDerWaalsContact O-N 3.1Å |
| 50 | L | 87.9 | Confident | 88.7 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.7 | -48.7 | 175.3 | 162.3 | 60 | 0 | 0 | 0 | 110.9 | L46 T47 E48 R52 G53 L54 I72 L75 F76 R386 L389 | L46-L50 VanDerWaalsContact O-CB 3.31Å; L46-L50 WeakPolarHBondContact O-CB 3.44Å; L46-L50 PolarHBondContact O-N 3.16Å; T47-L50 WeakPolarHBondContact O-CA 3.33Å; T47-L50 VanDerWaalsContact O-CB 3.3Å; T47-L50 WeakPolarHBondContact O-CB 3.41Å; T47-L50 PolarHBondContact O-N 3.04Å; T47-L50 VanDerWaalsContact O-N 3.12Å; E48-L50 VanDerWaalsContact C-N 3.3Å; E48-L50 PolarHBondContact O-N 3.02Å; L50-R52 VanDerWaalsContact C-N 3.32Å; L50-R52 PolarHBondContact O-N 2.87Å; L50-G53 CarbonylContact O-C 3.53Å; L50-G53 WeakPolarHBondContact O-CA 3.19Å; L50-G53 PolarHBondContact O-N 2.77Å; L50-L54 HydrophobicContact CD1-CG 4.28Å; L50-L54 PolarHBondContact O-N 2.9Å; L50-I72 HydrophobicContact CD1-CG2 4.23Å; L50-I72 HydrophobicContact CD2-CG2 4.5Å; L50-L75 HydrophobicContact CD2-CD2 4.17Å; L50-F76 HydrophobicContact CD2-CE1 4.39Å; L50-F76 HydrophobicContact CD2-CE2 4.13Å; L50-F76 HydrophobicContact CD2-CZ 3.8Å; L50-F76 HydrophobicContact CG-CZ 4.25Å; L50-R386 HydrophobicContact CD1-CG 3.71Å; L50-R386 HydrophobicContact CD2-CG 4.2Å; L50-L389 HydrophobicContact CD2-CD2 4.01Å |
| 51 | E | 89.6 | Confident | 88.5 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 26% | 0.262 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | -178.3 | -71.3 | 179.7 | 168 | 0 | 0 | 112.4 | T47 E48 L54 F76 K94 | T47-E51 HydrophobicContact CG2-CG 4.45Å; T47-E51 WeakPolarHBondContact O-CG 3.46Å; T47-E51 PolarHBondContact O-N 3.38Å; E48-E51 PolarHBondContact O-N 3.46Å; E51-L54 WeakPolarHBondContact O-CB 3.19Å; E51-L54 PolarHBondContact O-N 3.02Å; E51-F76 HydrophobicContact CG-CZ 4.26Å; E51-K94 VanDerWaalsContact CD-NZ 3.27Å; E51-K94 IonicContact OE1-NZ 2.66Å; E51-K94 PolarHBondContact OE1-NZ 3.07Å; E51-K94 IonicContact OE2-NZ 3.57Å |
| 52 | R | 89.1 | Confident | 88.4 | Confident | 135 Ų | 135 | 64.8 Ų | 64.8 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 170.6 | -70.4 | -172.9 | -67.4 | -92.5 | 2.1 | 112 | E48 K49 L50 L54 L55 T56 | E48-R52 WeakPolarHBondContact O-CG 3.21Å; E48-R52 PolarHBondContact O-N 3.28Å; E48-R52 VanDerWaalsContact O-N 3.1Å; E48-R52 IonicContact OE2-NH1 2.74Å; K49-R52 VanDerWaalsContact CG-NH2 3.27Å; L50-R52 VanDerWaalsContact C-N 3.32Å; L50-R52 PolarHBondContact O-N 2.87Å; R52-L54 VanDerWaalsContact C-N 3.31Å; R52-L54 PolarHBondContact O-N 3.46Å; R52-L55 PolarHBondContact O-N 3.44Å; R52-T56 PolarHBondContact O-OG1 3.09Å |
| 53 | G | 86.7 | Confident | 88.4 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.4 | -28.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | K49 L50 L55 T56 E57 V58 | K49-G53 PolarHBondContact O-N 3.21Å; K49-G53 VanDerWaalsContact O-N 3.1Å; L50-G53 CarbonylContact O-C 3.53Å; L50-G53 WeakPolarHBondContact O-CA 3.19Å; L50-G53 PolarHBondContact O-N 2.77Å; G53-L55 PolarHBondContact O-N 3.37Å; G53-T56 PolarHBondContact O-N 2.6Å; G53-E57 PolarHBondContact O-N 2.89Å; G53-V58 WeakPolarHBondContact O-CG2 3.37Å |
| 54 | L | 86.8 | Confident | 88.6 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 9% | 0.094 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.5 | -34.9 | 173.2 | -79.5 | 170 | 0 | 0 | 0 | 112.1 | L50 E51 R52 V58 Y60 I72 F76 L98 | L50-L54 HydrophobicContact CD1-CG 4.28Å; L50-L54 PolarHBondContact O-N 2.9Å; E51-L54 WeakPolarHBondContact O-CB 3.19Å; E51-L54 PolarHBondContact O-N 3.02Å; R52-L54 VanDerWaalsContact C-N 3.31Å; R52-L54 PolarHBondContact O-N 3.46Å; L54-V58 HydrophobicContact CD2-CG2 4.18Å; L54-Y60 WeakPolarHBondContact O-CE2 3.26Å; L54-Y60 PolarHBondContact O-OH 2.84Å; L54-I72 HydrophobicContact CD2-CD1 3.64Å; L54-I72 HydrophobicContact CD2-CG2 4.25Å; L54-F76 HydrophobicContact CD1-CE2 3.95Å; L54-F76 HydrophobicContact CD1-CZ 4.22Å; L54-L98 HydrophobicContact CD1-CD1 4.46Å; L54-L98 HydrophobicContact CD2-CD1 4.43Å; L54-L98 HydrophobicContact CD2-CD2 3.96Å |
| 55 | L | 84.7 | Confident | 88.8 | Confident | 150 Ų | 150 | 60.7 Ų | 60.7 | 79% | 0.785 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -76.3 | -22.6 | -176.5 | -60.1 | 174.8 | 0 | 0 | 0 | 113.5 | R52 G53 | R52-L55 PolarHBondContact O-N 3.44Å; G53-L55 PolarHBondContact O-N 3.37Å |
| 56 | T | 84 | Confident | 89 | Confident | 104 Ų | 104 | 58.5 Ų | 58.5 | 64% | 0.638 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -128.8 | -30 | -164.5 | 54.1 | 0 | 0 | 0 | 0 | 115 | R52 G53 | R52-T56 PolarHBondContact O-OG1 3.09Å; G53-T56 PolarHBondContact O-N 2.6Å |
| 57 | E | 80.9 | Confident | 89.1 | Confident | 116 Ų | 116 | 59.5 Ų | 59.5 | 54% | 0.542 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | 1 | -159.6 | -74.4 | 168.8 | -121.7 | 0 | 0 | 113.9 | G53 Y379 | G53-E57 PolarHBondContact O-N 2.89Å; E57-Y379 HydrophobicContact CB-CD2 3.99Å; E57-Y379 HydrophobicContact CB-CE2 3.6Å; E57-Y379 VanDerWaalsContact CD-OH 3.26Å; E57-Y379 HydrophobicContact CG-CE2 4.19Å; E57-Y379 PolarHBondContact OE1-OH 3.25Å; E57-Y379 WeakPolarHBondContact OE2-CE2 3.35Å; E57-Y379 PolarHBondContact OE2-OH 2.96Å |
| 58 | V | 84 | Confident | 89.2 | Confident | 25 Ų | 25 | 59.1 Ų | 59.1 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | trans | -101.4 | 128.8 | -174.9 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | G53 L54 Y60 I69 I72 | G53-V58 WeakPolarHBondContact O-CG2 3.37Å; L54-V58 HydrophobicContact CD2-CG2 4.18Å; V58-Y60 HydrophobicContact CB-CD2 4.4Å; V58-Y60 HydrophobicContact CB-CE2 4.12Å; V58-Y60 HydrophobicContact CG1-CD2 4.26Å; V58-Y60 HydrophobicContact CG1-CE2 4.2Å; V58-Y60 WeakPolarHBondContact O-CD2 3.45Å; V58-Y60 PolarHBondContact O-N 3.35Å; V58-I69 HydrophobicContact CG1-CG2 3.53Å; V58-I72 HydrophobicContact CG1-CD1 3.98Å | ||
| 59 | D | 85.9 | Confident | 89.4 | Confident | 62 Ų | 62 | 54 Ų | 54 | 33% | 0.332 | 26% | 0.256 | S | S | . | . | trans | -80.6 | 99.2 | 171.6 | -167.7 | -11.3 | 0 | 0 | 0 | 110 | R61 D62 | D59-R61 PolarHBondContact O-N 2.89Å; D59-R61 VanDerWaalsContact OD1-CB 3.25Å; D59-R61 WeakPolarHBondContact OD1-CB 3.41Å; D59-R61 WeakPolarHBondContact OD1-CG 3.24Å; D59-R61 IonicContact OD1-CZ 3.8Å; D59-R61 PolarHBondContact OD1-N 3.3Å; D59-R61 IonicContact OD1-NE 2.79Å; D59-R61 PolarHBondContact OD1-NE 3.21Å; D59-R61 IonicContact OD1-NH2 3.64Å; D59-R61 IonicContact OD2-CZ 2.75Å; D59-R61 IonicContact OD2-NE 3.09Å; D59-R61 PolarHBondContact OD2-NE 3.23Å; D59-R61 IonicContact OD2-NH2 2.66Å; D59-R61 PolarHBondContact OD2-NH2 3.02Å; D59-D62 PolarHBondContact O-N 3.46Å | ||
| 60 | Y | 89.9 | Confident | 89.8 | Confident | 73 Ų | 73 | 50.7 Ų | 50.7 | 29% | 0.286 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -8.4 | 178.6 | -82 | -93.8 | 0 | 0 | 0 | 114.2 | L54 V58 I69 L98 H101 | L54-Y60 WeakPolarHBondContact O-CE2 3.26Å; L54-Y60 PolarHBondContact O-OH 2.84Å; V58-Y60 HydrophobicContact CB-CD2 4.4Å; V58-Y60 HydrophobicContact CB-CE2 4.12Å; V58-Y60 HydrophobicContact CG1-CD2 4.26Å; V58-Y60 HydrophobicContact CG1-CE2 4.2Å; V58-Y60 WeakPolarHBondContact O-CD2 3.45Å; V58-Y60 PolarHBondContact O-N 3.35Å; Y60-I69 HydrophobicContact CD1-CD1 4.17Å; Y60-I69 HydrophobicContact CD1-CG2 4.07Å; Y60-I69 HydrophobicContact CE1-CG2 4.41Å; Y60-I69 HydrophobicContact CG-CG2 4.36Å; Y60-L98 HydrophobicContact CE1-CD2 3.91Å; Y60-H101 AromaticContact CD1-CD2 3.98Å; Y60-H101 AromaticContact CD1-CG 3.92Å; Y60-H101 AromaticContact CD1-ND1 3.96Å; Y60-H101 PolarHBondContact O-CE1 3.01Å; Y60-H101 PolarHBondContact O-ND1 3.01Å; Y60-H101 VanDerWaalsContact O-ND1 3.13Å |
| 61 | R | 88 | Confident | 90.2 | Very high | 189 Ų | 189 | 50.3 Ų | 50.3 | 71% | 0.713 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -20.2 | 175.3 | -56.8 | 170.4 | -63.6 | 176.1 | 5.8 | 112.4 | D59 | D59-R61 PolarHBondContact O-N 2.89Å; D59-R61 VanDerWaalsContact OD1-CB 3.25Å; D59-R61 WeakPolarHBondContact OD1-CB 3.41Å; D59-R61 WeakPolarHBondContact OD1-CG 3.24Å; D59-R61 IonicContact OD1-CZ 3.8Å; D59-R61 PolarHBondContact OD1-N 3.3Å; D59-R61 IonicContact OD1-NE 2.79Å; D59-R61 PolarHBondContact OD1-NE 3.21Å; D59-R61 IonicContact OD1-NH2 3.64Å; D59-R61 IonicContact OD2-CZ 2.75Å; D59-R61 IonicContact OD2-NE 3.09Å; D59-R61 PolarHBondContact OD2-NE 3.23Å; D59-R61 IonicContact OD2-NH2 2.66Å; D59-R61 PolarHBondContact OD2-NH2 3.02Å |
| 62 | D | 90.9 | Very high | 90.4 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | trans | -93.5 | 103.9 | 176.5 | -171.7 | -19.1 | 0 | 0 | 0 | 109.2 | D59 T64 V67 G68 I69 | D59-D62 PolarHBondContact O-N 3.46Å; D62-T64 VanDerWaalsContact OD1-CB 3.25Å; D62-T64 WeakPolarHBondContact OD1-CB 3.41Å; D62-T64 VanDerWaalsContact OD1-CG2 3.26Å; D62-T64 WeakPolarHBondContact OD1-CG2 3.31Å; D62-T64 PolarHBondContact OD1-N 3.19Å; D62-T64 PolarHBondContact OD1-OG1 3.26Å; D62-V67 VanDerWaalsContact OD2-CG2 3.29Å; D62-V67 WeakPolarHBondContact OD2-CG2 3.46Å; D62-G68 CarbonylContact O-C 3.42Å; D62-G68 WeakPolarHBondContact O-CA 3.2Å; D62-I69 WeakPolarHBondContact O-CG1 3.38Å; D62-I69 PolarHBondContact O-N 3.46Å | ||
| 63 | G | 93.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | trans | -88.7 | 1.6 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | G70 S106 Y120 | G63-G70 WeakPolarHBondContact O-CA 3.47Å; G63-G70 PolarHBondContact O-N 3.34Å; G63-S106 WeakPolarHBondContact CA-OG 3.42Å; G63-S106 PolarHBondContact N-OG 3.37Å; G63-Y120 VanDerWaalsContact O-CB 3.3Å; G63-Y120 WeakPolarHBondContact O-CB 3.49Å; G63-Y120 WeakPolarHBondContact O-CD1 2.7Å | ||
| 64 | T | 95.4 | Very high | 91.2 | Very high | 25 Ų | 25 | 42.6 Ų | 42.6 | 15% | 0.153 | 21% | 0.21 | C | C | . | . | trans | -58.6 | 153.7 | -175.9 | 62.9 | 0 | 0 | 0 | 0 | 112 | D62 Y66 V67 G68 G71 L114 | D62-T64 VanDerWaalsContact OD1-CB 3.25Å; D62-T64 WeakPolarHBondContact OD1-CB 3.41Å; D62-T64 VanDerWaalsContact OD1-CG2 3.26Å; D62-T64 WeakPolarHBondContact OD1-CG2 3.31Å; D62-T64 PolarHBondContact OD1-N 3.19Å; D62-T64 PolarHBondContact OD1-OG1 3.26Å; T64-Y66 VanDerWaalsContact C-N 3.33Å; T64-V67 WeakPolarHBondContact OG1-CG2 3.35Å; T64-V67 PolarHBondContact OG1-N 2.8Å; T64-G68 CarbonylContact O-C 3.41Å; T64-G68 WeakPolarHBondContact O-CA 3.4Å; T64-G68 PolarHBondContact O-N 3.31Å; T64-G68 PolarHBondContact OG1-N 2.9Å; T64-G71 PolarHBondContact O-N 3.22Å; T64-L114 WeakPolarHBondContact CB-O 3.36Å | ||
| 65 | V | 96.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -73.3 | -32 | 174.4 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | G71 L74 F113 L114 V123 L381 | V65-G71 VanDerWaalsContact O-CA 3.25Å; V65-G71 WeakPolarHBondContact O-CA 3.4Å; V65-L74 HydrophobicContact CG1-CD2 3.89Å; V65-F113 HydrophobicContact CB-CD1 4.5Å; V65-F113 HydrophobicContact CB-CE1 4.39Å; V65-F113 WeakPolarHBondContact CB-O 3.45Å; V65-F113 HydrophobicContact CG1-CD1 4.25Å; V65-F113 HydrophobicContact CG1-CE1 3.82Å; V65-F113 HydrophobicContact CG2-CD1 4.45Å; V65-F113 HydrophobicContact CG2-CE1 4.2Å; V65-F113 HydrophobicContact CG2-CZ 4.47Å; V65-F113 VanDerWaalsContact CG2-O 3.28Å; V65-F113 WeakPolarHBondContact CG2-O 3.21Å; V65-L114 HydrophobicContact CB-CD2 4.4Å; V65-L114 HydrophobicContact CG1-CD2 4.02Å; V65-L114 PolarHBondContact N-O 2.95Å; V65-L114 VanDerWaalsContact N-O 3.07Å; V65-V123 HydrophobicContact CG2-CG2 4.24Å; V65-L381 HydrophobicContact CG1-CD2 3.98Å |
| 66 | Y | 95.5 | Very high | 92.2 | Very high | 23 Ų | 23 | 34.8 Ų | 34.8 | 9% | 0.09 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -66 | -57.7 | -176.5 | -169.3 | -96 | 0 | 0 | 0 | 111.9 | T64 L114 L162 C331 F382 E383 | T64-Y66 VanDerWaalsContact C-N 3.33Å; Y66-L114 VanDerWaalsContact CB-O 3.29Å; Y66-L114 WeakPolarHBondContact CB-O 3.44Å; Y66-L114 HydrophobicContact CD2-CB 4.43Å; Y66-L114 PolarHBondContact N-O 3.21Å; Y66-L162 HydrophobicContact CD2-CD2 4.37Å; Y66-L162 HydrophobicContact CE2-CD1 4.21Å; Y66-L162 HydrophobicContact CE2-CD2 4.41Å; Y66-C331 HydrophobicContact CE2-CB 4.27Å; Y66-C331 WeakPolarHBondContact OH-CB 3.44Å; Y66-C331 PolarHBondContact OH-SG 3.39Å; Y66-F382 HydrophobicContact CD1-CB 4.28Å; Y66-F382 HydrophobicContact CD2-CB 3.48Å; Y66-F382 VanDerWaalsContact CD2-CB 3.48Å; Y66-F382 AromaticContact CD2-CD1 3.62Å; Y66-F382 HydrophobicContact CD2-CD1 3.62Å; Y66-F382 AromaticContact CD2-CD2 3.93Å; Y66-F382 HydrophobicContact CD2-CD2 3.93Å; Y66-F382 HydrophobicContact CD2-CE1 4.34Å; Y66-F382 AromaticContact CD2-CG 3.37Å; Y66-F382 HydrophobicContact CD2-CG 3.37Å; Y66-F382 HydrophobicContact CE1-CB 4.18Å; Y66-F382 HydrophobicContact CE2-CB 3.4Å; Y66-F382 VanDerWaalsContact CE2-CB 3.4Å; Y66-F382 AromaticContact CE2-CD1 3.47Å; Y66-F382 HydrophobicContact CE2-CD1 3.47Å; Y66-F382 VanDerWaalsContact CE2-CD1 3.47Å; Y66-F382 HydrophobicContact CE2-CE1 4.39Å; Y66-F382 AromaticContact CE2-CG 3.54Å; Y66-F382 HydrophobicContact CE2-CG 3.54Å; Y66-F382 HydrophobicContact CG-CB 3.92Å; Y66-F382 HydrophobicContact CG-CD2 4.46Å; Y66-F382 HydrophobicContact CG-CG 4.13Å; Y66-F382 WeakPolarHBondContact O-CB 3.5Å; Y66-F382 PolarHBondContact O-N 3.09Å; Y66-F382 VanDerWaalsContact O-N 3.14Å; Y66-E383 HydrophobicContact CE1-CG 4.11Å |
| 67 | V | 93.4 | Very high | 92.7 | Very high | 32 Ų | 32 | 30.5 Ų | 30.5 | 19% | 0.194 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -118.9 | -17 | -175.8 | -78.6 | 0 | 0 | 0 | 0 | 115.8 | D62 T64 R377 S380 E383 | D62-V67 VanDerWaalsContact OD2-CG2 3.29Å; D62-V67 WeakPolarHBondContact OD2-CG2 3.46Å; T64-V67 WeakPolarHBondContact OG1-CG2 3.35Å; T64-V67 PolarHBondContact OG1-N 2.8Å; V67-R377 HydrophobicContact CB-CB 4.41Å; V67-R377 HydrophobicContact CB-CG 4.06Å; V67-R377 HydrophobicContact CG1-CB 4.04Å; V67-R377 HydrophobicContact CG1-CG 3.86Å; V67-S380 VanDerWaalsContact CA-CB 3.49Å; V67-E383 HydrophobicContact CG1-CG 4.24Å |
| 68 | G | 92.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -91.8 | -169.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | D62 T64 G70 G71 | D62-G68 CarbonylContact O-C 3.42Å; D62-G68 WeakPolarHBondContact O-CA 3.2Å; T64-G68 CarbonylContact O-C 3.41Å; T64-G68 WeakPolarHBondContact O-CA 3.4Å; T64-G68 PolarHBondContact O-N 3.31Å; T64-G68 PolarHBondContact OG1-N 2.9Å; G68-G70 VanDerWaalsContact C-N 3.31Å; G68-G70 PolarHBondContact O-N 2.97Å; G68-G71 PolarHBondContact O-N 3.35Å |
| 69 | I | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.7 | -24.9 | -178.8 | 57.6 | 171 | 0 | 0 | 0 | 113.5 | V58 Y60 D62 G71 I72 A73 H101 A102 | V58-I69 HydrophobicContact CG1-CG2 3.53Å; Y60-I69 HydrophobicContact CD1-CD1 4.17Å; Y60-I69 HydrophobicContact CD1-CG2 4.07Å; Y60-I69 HydrophobicContact CE1-CG2 4.41Å; Y60-I69 HydrophobicContact CG-CG2 4.36Å; D62-I69 WeakPolarHBondContact O-CG1 3.38Å; D62-I69 PolarHBondContact O-N 3.46Å; I69-G71 VanDerWaalsContact C-N 3.26Å; I69-G71 PolarHBondContact O-N 3.27Å; I69-I72 HydrophobicContact CB-CD1 4.13Å; I69-I72 HydrophobicContact CG2-CD1 3.88Å; I69-I72 WeakPolarHBondContact O-CB 3.34Å; I69-I72 PolarHBondContact O-N 3.17Å; I69-I72 VanDerWaalsContact O-N 3.1Å; I69-A73 PolarHBondContact O-N 3.27Å; I69-H101 HydrophobicContact CD1-CB 3.83Å; I69-H101 WeakPolarHBondContact CD1-ND1 3.32Å; I69-A102 HydrophobicContact CD1-CB 3.9Å; I69-A102 HydrophobicContact CG1-CB 3.87Å |
| 70 | G | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61 | -34.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G63 G68 I72 L74 | G63-G70 WeakPolarHBondContact O-CA 3.47Å; G63-G70 PolarHBondContact O-N 3.34Å; G68-G70 VanDerWaalsContact C-N 3.31Å; G68-G70 PolarHBondContact O-N 2.97Å; G70-I72 VanDerWaalsContact C-N 3.32Å; G70-I72 PolarHBondContact O-N 3.41Å; G70-L74 WeakPolarHBondContact O-CB 3.3Å; G70-L74 PolarHBondContact O-N 3.09Å |
| 71 | G | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.6 | -29.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T64 V65 G68 I69 L75 | T64-G71 PolarHBondContact O-N 3.22Å; V65-G71 VanDerWaalsContact O-CA 3.25Å; V65-G71 WeakPolarHBondContact O-CA 3.4Å; G68-G71 PolarHBondContact O-N 3.35Å; I69-G71 VanDerWaalsContact C-N 3.26Å; I69-G71 PolarHBondContact O-N 3.27Å; G71-L75 PolarHBondContact O-N 3.47Å; G71-L75 VanDerWaalsContact O-N 3.07Å |
| 72 | I | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -73.8 | -45.6 | 176.5 | -38.8 | 174.7 | 0 | 0 | 0 | 110.5 | L50 L54 V58 I69 G70 L74 L75 F76 L98 | L50-I72 HydrophobicContact CD1-CG2 4.23Å; L50-I72 HydrophobicContact CD2-CG2 4.5Å; L54-I72 HydrophobicContact CD2-CD1 3.64Å; L54-I72 HydrophobicContact CD2-CG2 4.25Å; V58-I72 HydrophobicContact CG1-CD1 3.98Å; I69-I72 HydrophobicContact CB-CD1 4.13Å; I69-I72 HydrophobicContact CG2-CD1 3.88Å; I69-I72 WeakPolarHBondContact O-CB 3.34Å; I69-I72 PolarHBondContact O-N 3.17Å; I69-I72 VanDerWaalsContact O-N 3.1Å; G70-I72 VanDerWaalsContact C-N 3.32Å; G70-I72 PolarHBondContact O-N 3.41Å; I72-L74 PolarHBondContact O-N 2.65Å; I72-L75 WeakPolarHBondContact O-CB 3.3Å; I72-L75 PolarHBondContact O-N 3.13Å; I72-F76 HydrophobicContact CG2-CD2 3.85Å; I72-F76 HydrophobicContact CG2-CE2 3.65Å; I72-F76 WeakPolarHBondContact O-CD2 3.3Å; I72-F76 PolarHBondContact O-N 3.38Å; I72-L98 HydrophobicContact CB-CD1 4.02Å; I72-L98 HydrophobicContact CG2-CD1 3.74Å |
| 73 | A | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.6 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | I69 L75 F76 Y77 A95 L98 I99 V123 I127 | I69-A73 PolarHBondContact O-N 3.27Å; A73-L75 VanDerWaalsContact C-N 3.32Å; A73-L75 PolarHBondContact O-N 3.08Å; A73-F76 PolarHBondContact O-N 3Å; A73-Y77 VanDerWaalsContact O-CB 3.29Å; A73-Y77 WeakPolarHBondContact O-CB 3.37Å; A73-Y77 PolarHBondContact O-N 3.1Å; A73-A95 WeakPolarHBondContact O-CB 3.41Å; A73-L98 HydrophobicContact CB-CB 4.03Å; A73-I99 HydrophobicContact CB-CB 3.87Å; A73-I99 HydrophobicContact CB-CD1 3.86Å; A73-I99 HydrophobicContact CB-CG1 4.35Å; A73-V123 HydrophobicContact CB-CG1 4.48Å; A73-I127 HydrophobicContact CB-CD1 4.27Å |
| 74 | L | 97 | Very high | 93.4 | Very high | 30 Ų | 30 | 26.6 Ų | 26.6 | 16% | 0.157 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.2 | -40.9 | 174 | 179.5 | 57.2 | 0 | 0 | 0 | 112.5 | V65 G70 I72 Y77 A78 F113 V123 F174 L381 | V65-L74 HydrophobicContact CG1-CD2 3.89Å; G70-L74 WeakPolarHBondContact O-CB 3.3Å; G70-L74 PolarHBondContact O-N 3.09Å; I72-L74 PolarHBondContact O-N 2.65Å; L74-Y77 PolarHBondContact O-N 3.33Å; L74-A78 WeakPolarHBondContact O-CB 3.35Å; L74-A78 PolarHBondContact O-N 3.22Å; L74-F113 HydrophobicContact CD2-CE1 4.11Å; L74-F113 HydrophobicContact CD2-CZ 4.16Å; L74-V123 HydrophobicContact CB-CG1 4.14Å; L74-V123 HydrophobicContact CB-CG2 4.21Å; L74-V123 HydrophobicContact CD1-CG2 4.23Å; L74-V123 HydrophobicContact CD2-CG2 4.37Å; L74-F174 HydrophobicContact CD1-CE2 3.97Å; L74-F174 HydrophobicContact CD1-CZ 3.92Å; L74-L381 HydrophobicContact CD2-CD2 4.09Å |
| 75 | L | 95.4 | Very high | 92.1 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -49.8 | 177.4 | 178.1 | 58.1 | 0 | 0 | 0 | 112.3 | L50 G71 I72 A73 Y77 A78 M79 L381 R386 L389 A390 | L50-L75 HydrophobicContact CD2-CD2 4.17Å; G71-L75 PolarHBondContact O-N 3.47Å; G71-L75 VanDerWaalsContact O-N 3.07Å; I72-L75 WeakPolarHBondContact O-CB 3.3Å; I72-L75 PolarHBondContact O-N 3.13Å; A73-L75 VanDerWaalsContact C-N 3.32Å; A73-L75 PolarHBondContact O-N 3.08Å; L75-Y77 VanDerWaalsContact C-N 3.3Å; L75-Y77 PolarHBondContact O-N 3.29Å; L75-A78 WeakPolarHBondContact O-CB 3.38Å; L75-A78 PolarHBondContact O-N 2.81Å; L75-A78 VanDerWaalsContact O-N 3.15Å; L75-M79 HydrophobicContact CG-SD 4.46Å; L75-M79 WeakPolarHBondContact O-CG 3.44Å; L75-M79 PolarHBondContact O-N 2.93Å; L75-L381 HydrophobicContact CB-CD1 4.44Å; L75-R386 HydrophobicContact CD2-CB 3.68Å; L75-R386 HydrophobicContact CD2-CG 3.79Å; L75-L389 HydrophobicContact CD1-CB 4.26Å; L75-L389 HydrophobicContact CD1-CD2 4.33Å; L75-L389 HydrophobicContact CD1-CG 4.16Å; L75-L389 HydrophobicContact CD2-CB 4.15Å; L75-L389 HydrophobicContact CD2-CD2 3.83Å; L75-L389 HydrophobicContact CD2-CG 4.32Å; L75-L389 HydrophobicContact CG-CD2 4.14Å; L75-L389 HydrophobicContact CG-CG 4.5Å; L75-A390 HydrophobicContact CD1-CB 3.95Å |
| 76 | F | 95.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.2 | -39 | 176.2 | -78.8 | -64.1 | 0 | 0 | 0 | 112 | T47 L50 E51 L54 I72 A73 A78 M79 Y80 W91 K94 A95 L98 | T47-F76 HydrophobicContact CG2-CE1 4.35Å; L50-F76 HydrophobicContact CD2-CE1 4.39Å; L50-F76 HydrophobicContact CD2-CE2 4.13Å; L50-F76 HydrophobicContact CD2-CZ 3.8Å; L50-F76 HydrophobicContact CG-CZ 4.25Å; E51-F76 HydrophobicContact CG-CZ 4.26Å; L54-F76 HydrophobicContact CD1-CE2 3.95Å; L54-F76 HydrophobicContact CD1-CZ 4.22Å; I72-F76 HydrophobicContact CG2-CD2 3.85Å; I72-F76 HydrophobicContact CG2-CE2 3.65Å; I72-F76 WeakPolarHBondContact O-CD2 3.3Å; I72-F76 PolarHBondContact O-N 3.38Å; A73-F76 PolarHBondContact O-N 3Å; F76-A78 VanDerWaalsContact C-N 3.34Å; F76-A78 PolarHBondContact O-N 3.39Å; F76-M79 HydrophobicContact CD1-SD 4.18Å; F76-M79 PolarHBondContact O-N 3.38Å; F76-Y80 PolarHBondContact O-N 3.26Å; F76-W91 HydrophobicContact CD1-CB 4.34Å; F76-W91 AromaticContact CD1-CD1 3.89Å; F76-W91 HydrophobicContact CD1-CG 4.27Å; F76-K94 HydrophobicContact CD1-CB 4.48Å; F76-K94 HydrophobicContact CD2-CB 4.29Å; F76-K94 HydrophobicContact CE1-CD 4.17Å; F76-K94 HydrophobicContact CE2-CB 4.49Å; F76-K94 HydrophobicContact CG-CB 4.29Å; F76-K94 HydrophobicContact CZ-CD 4.25Å; F76-A95 HydrophobicContact CB-CB 3.9Å; F76-L98 HydrophobicContact CD2-CD1 3.75Å; F76-L98 HydrophobicContact CE2-CD1 3.82Å |
| 77 | Y | 96.1 | Very high | 89.6 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -40.9 | 173.8 | -179.7 | -119.2 | 0 | 0 | 0 | 112 | A73 L74 L75 Y80 K81 L92 A126 I127 K130 E178 | A73-Y77 VanDerWaalsContact O-CB 3.29Å; A73-Y77 WeakPolarHBondContact O-CB 3.37Å; A73-Y77 PolarHBondContact O-N 3.1Å; L74-Y77 PolarHBondContact O-N 3.33Å; L75-Y77 VanDerWaalsContact C-N 3.3Å; L75-Y77 PolarHBondContact O-N 3.29Å; Y77-Y80 HydrophobicContact CD2-CD1 4.36Å; Y77-Y80 HydrophobicContact CE2-CD1 4.44Å; Y77-Y80 PolarHBondContact O-N 2.85Å; Y77-K81 HydrophobicContact CD1-CD 4.2Å; Y77-K81 HydrophobicContact CE1-CD 3.64Å; Y77-K81 HydrophobicContact CE2-CD 4.15Å; Y77-K81 HydrophobicContact CE2-CG 4.26Å; Y77-K81 WeakPolarHBondContact O-CG 3.5Å; Y77-K81 PolarHBondContact O-N 3.33Å; Y77-L92 HydrophobicContact CD2-CD1 3.98Å; Y77-L92 HydrophobicContact CE2-CD1 4.29Å; Y77-A126 HydrophobicContact CE1-CB 4.19Å; Y77-I127 HydrophobicContact CD1-CG1 4.5Å; Y77-I127 HydrophobicContact CD2-CG1 3.88Å; Y77-I127 HydrophobicContact CE2-CG1 4.4Å; Y77-I127 HydrophobicContact CG-CD1 4.5Å; Y77-I127 HydrophobicContact CG-CG1 3.93Å; Y77-K130 HydrophobicContact CE2-CB 4.43Å; Y77-K130 HydrophobicContact CE2-CG 4.43Å; Y77-E178 PolarHBondContact OH-OE2 2.96Å |
| 78 | A | 94.5 | Very high | 88.9 | Confident | 42 Ų | 42 | 50.7 Ų | 50.7 | 35% | 0.347 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.1 | -41.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L74 L75 F76 K81 K82 | L74-A78 WeakPolarHBondContact O-CB 3.35Å; L74-A78 PolarHBondContact O-N 3.22Å; L75-A78 WeakPolarHBondContact O-CB 3.38Å; L75-A78 PolarHBondContact O-N 2.81Å; L75-A78 VanDerWaalsContact O-N 3.15Å; F76-A78 VanDerWaalsContact C-N 3.34Å; F76-A78 PolarHBondContact O-N 3.39Å; A78-K81 PolarHBondContact O-N 3.39Å; A78-K82 WeakPolarHBondContact O-CB 3.42Å; A78-K82 WeakPolarHBondContact O-CG 3.31Å; A78-K82 PolarHBondContact O-N 2.92Å |
| 79 | M | 93 | Very high | 88.8 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 174.9 | -69.4 | 173.1 | 69.8 | 0 | 0 | 111.5 | I43 T47 L75 F76 K81 K82 L83 W91 L389 | I43-M79 HydrophobicContact CG2-CE 4.08Å; T47-M79 HydrophobicContact CG2-CE 4.18Å; T47-M79 VanDerWaalsContact OG1-CE 3.3Å; T47-M79 WeakPolarHBondContact OG1-CE 3.48Å; L75-M79 HydrophobicContact CG-SD 4.46Å; L75-M79 WeakPolarHBondContact O-CG 3.44Å; L75-M79 PolarHBondContact O-N 2.93Å; F76-M79 HydrophobicContact CD1-SD 4.18Å; F76-M79 PolarHBondContact O-N 3.38Å; M79-K81 VanDerWaalsContact C-N 3.32Å; M79-K81 PolarHBondContact O-N 2.87Å; M79-K82 PolarHBondContact O-N 2.88Å; M79-K82 VanDerWaalsContact O-N 3.16Å; M79-L83 HydrophobicContact CB-CD1 4.35Å; M79-L83 HydrophobicContact CE-CD1 4.46Å; M79-L83 HydrophobicContact CG-CD1 4.28Å; M79-L83 WeakPolarHBondContact O-CB 3.43Å; M79-L83 PolarHBondContact O-N 3.41Å; M79-W91 VanDerWaalsContact C-CE3 3.46Å; M79-W91 HydrophobicContact CB-CD2 3.93Å; M79-W91 HydrophobicContact CB-CE3 3.74Å; M79-W91 HydrophobicContact CB-CG 4.42Å; M79-W91 HydrophobicContact CB-CZ3 4.12Å; M79-W91 HydrophobicContact CE-CD2 4.14Å; M79-W91 HydrophobicContact CE-CH2 4.18Å; M79-W91 HydrophobicContact CE-CZ2 3.59Å; M79-W91 WeakPolarHBondContact O-CZ3 3.38Å; M79-L389 HydrophobicContact CE-CD2 4.3Å; M79-L389 HydrophobicContact SD-CD2 3.61Å; M79-L389 HydrophobicContact SD-CG 4.17Å |
| 80 | Y | 94.1 | Very high | 88.7 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -53.4 | -48.6 | 172.4 | 166.7 | -107.4 | 0 | 0 | 0 | 111.7 | F76 Y77 K82 D84 L92 K130 | F76-Y80 PolarHBondContact O-N 3.26Å; Y77-Y80 HydrophobicContact CD2-CD1 4.36Å; Y77-Y80 HydrophobicContact CE2-CD1 4.44Å; Y77-Y80 PolarHBondContact O-N 2.85Å; Y80-K82 VanDerWaalsContact C-N 3.28Å; Y80-K82 PolarHBondContact O-N 3.02Å; Y80-D84 HydrophobicContact CD2-CB 4.31Å; Y80-D84 WeakPolarHBondContact O-CB 3.48Å; Y80-L92 HydrophobicContact CD1-CB 4.2Å; Y80-L92 HydrophobicContact CD1-CD1 4.16Å; Y80-L92 HydrophobicContact CD2-CB 4.02Å; Y80-L92 HydrophobicContact CE1-CD1 4.33Å; Y80-L92 HydrophobicContact CE1-CD2 4.08Å; Y80-L92 HydrophobicContact CE2-CB 4.33Å; Y80-L92 HydrophobicContact CE2-CD2 4.44Å; Y80-L92 HydrophobicContact CG-CB 3.95Å; Y80-K130 HydrophobicContact CE1-CD 4.45Å; Y80-K130 HydrophobicContact CE1-CG 4.04Å; Y80-K130 WeakPolarHBondContact OH-CE 3.29Å |
| 81 | K | 92.4 | Very high | 88.6 | Confident | 97 Ų | 97 | 60.5 Ų | 60.5 | 42% | 0.422 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.6 | -24.8 | -179.6 | -74.4 | -178 | 61.3 | 176.9 | 0 | 114.9 | Y77 A78 M79 E178 | Y77-K81 HydrophobicContact CD1-CD 4.2Å; Y77-K81 HydrophobicContact CE1-CD 3.64Å; Y77-K81 HydrophobicContact CE2-CD 4.15Å; Y77-K81 HydrophobicContact CE2-CG 4.26Å; Y77-K81 WeakPolarHBondContact O-CG 3.5Å; Y77-K81 PolarHBondContact O-N 3.33Å; A78-K81 PolarHBondContact O-N 3.39Å; M79-K81 VanDerWaalsContact C-N 3.32Å; M79-K81 PolarHBondContact O-N 2.87Å; K81-E178 IonicContact NZ-OE1 2.86Å; K81-E178 PolarHBondContact NZ-OE1 3.12Å; K81-E178 IonicContact NZ-OE2 3.88Å; K81-E178 PolarHBondContact NZ-OE2 3.03Å |
| 82 | K | 89.4 | Confident | 88.6 | Confident | 174 Ų | 174 | 60.9 Ų | 60.9 | 76% | 0.757 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -113.9 | -32 | -166.2 | -69 | -63.6 | -172.1 | 177.8 | 0 | 114.8 | A78 M79 Y80 | A78-K82 WeakPolarHBondContact O-CB 3.42Å; A78-K82 WeakPolarHBondContact O-CG 3.31Å; A78-K82 PolarHBondContact O-N 2.92Å; M79-K82 PolarHBondContact O-N 2.88Å; M79-K82 VanDerWaalsContact O-N 3.16Å; Y80-K82 VanDerWaalsContact C-N 3.28Å; Y80-K82 PolarHBondContact O-N 3.02Å |
| 83 | L | 86.7 | Confident | 88.7 | Confident | 41 Ų | 41 | 65 Ų | 65 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -113.5 | -24.1 | -170 | -60.5 | 176.3 | 0 | 0 | 0 | 112.7 | I43 M79 Q85 W91 | I43-L83 HydrophobicContact CD1-CD1 3.91Å; I43-L83 HydrophobicContact CD1-CD2 4.3Å; I43-L83 HydrophobicContact CG2-CD1 3.83Å; M79-L83 HydrophobicContact CB-CD1 4.35Å; M79-L83 HydrophobicContact CE-CD1 4.46Å; M79-L83 HydrophobicContact CG-CD1 4.28Å; M79-L83 WeakPolarHBondContact O-CB 3.43Å; M79-L83 PolarHBondContact O-N 3.41Å; L83-Q85 PolarHBondContact O-N 3.1Å; L83-Q85 VanDerWaalsContact O-N 3.09Å; L83-W91 HydrophobicContact CB-CH2 3.73Å; L83-W91 HydrophobicContact CB-CZ3 3.54Å; L83-W91 HydrophobicContact CD1-CH2 4.18Å; L83-W91 HydrophobicContact CD1-CZ3 4.47Å |
| 84 | D | 76.2 | Confident | 88.6 | Confident | 32 Ų | 32 | 67.2 Ų | 67.2 | 17% | 0.171 | 33% | 0.326 | C | S | . | . | trans | -79.9 | 95.5 | -178.8 | 177 | 27.7 | 0 | 0 | 0 | 110.6 | Y80 Q86 Q87 N88 W91 | Y80-D84 HydrophobicContact CD2-CB 4.31Å; Y80-D84 WeakPolarHBondContact O-CB 3.48Å; D84-Q86 VanDerWaalsContact C-N 3.29Å; D84-Q86 PolarHBondContact OD1-N 3.44Å; D84-Q86 VanDerWaalsContact OD1-N 3.1Å; D84-Q87 PolarHBondContact OD1-N 3.49Å; D84-Q87 VanDerWaalsContact OD1-N 3.09Å; D84-Q87 WeakPolarHBondContact OD2-CA 3.36Å; D84-Q87 PolarHBondContact OD2-N 3.46Å; D84-N88 PolarHBondContact OD1-N 3.03Å; D84-N88 WeakPolarHBondContact OD2-CA 3.47Å; D84-N88 PolarHBondContact OD2-N 3.12Å; D84-W91 HydrophobicContact CB-CE3 4.19Å; D84-W91 HydrophobicContact CB-CZ3 4.01Å | ||
| 85 | Q | 69 | Low | 88.6 | Confident | 163 Ų | 163 | 65.8 Ų | 65.8 | 76% | 0.762 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -77.9 | -16.4 | 176.1 | -66.4 | 178.2 | -12.7 | 0 | 0 | 112.5 | L83 | L83-Q85 PolarHBondContact O-N 3.1Å; L83-Q85 VanDerWaalsContact O-N 3.09Å |
| 86 | Q | 70.6 | Confident | 88.7 | Confident | 174 Ų | 174 | 66.4 Ų | 66.4 | 81% | 0.813 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -109.1 | 6.6 | -169.3 | -64.3 | -174.2 | 0.2 | 0 | 0 | 113.4 | D84 N88 | D84-Q86 VanDerWaalsContact C-N 3.29Å; D84-Q86 PolarHBondContact OD1-N 3.44Å; D84-Q86 VanDerWaalsContact OD1-N 3.1Å; Q86-N88 PolarHBondContact O-N 2.75Å |
| 87 | Q | 69.4 | Low | 88.8 | Confident | 164 Ų | 164 | 72.9 Ų | 72.9 | 77% | 0.766 | 35% | 0.352 | S | S | * | . | trans | 57.2 | 29.6 | -173 | -53.2 | -176.3 | 5.9 | 0 | 0 | 112.9 | D84 T89 | D84-Q87 PolarHBondContact OD1-N 3.49Å; D84-Q87 VanDerWaalsContact OD1-N 3.09Å; D84-Q87 WeakPolarHBondContact OD2-CA 3.36Å; D84-Q87 PolarHBondContact OD2-N 3.46Å; Q87-T89 PolarHBondContact O-N 3.23Å | ||
| 88 | N | 78.6 | Confident | 88.8 | Confident | 85 Ų | 85 | 72.6 Ų | 72.6 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | trans | -63.8 | 112.6 | 167.4 | -175.3 | -4.3 | 0 | 0 | 0 | 110.9 | D84 Q86 E90 | D84-N88 PolarHBondContact OD1-N 3.03Å; D84-N88 WeakPolarHBondContact OD2-CA 3.47Å; D84-N88 PolarHBondContact OD2-N 3.12Å; Q86-N88 PolarHBondContact O-N 2.75Å; N88-E90 PolarHBondContact O-N 2.9Å; N88-E90 WeakPolarHBondContact OD1-CB 3.43Å; N88-E90 PolarHBondContact OD1-N 3.15Å | ||
| 89 | T | 89.9 | Confident | 88.9 | Confident | 66 Ų | 66 | 70.6 Ų | 70.6 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 2.7 | -177.4 | 58 | 0 | 0 | 0 | 0 | 114.2 | Q87 W91 L92 N93 | Q87-T89 PolarHBondContact O-N 3.23Å; T89-W91 PolarHBondContact O-N 3.37Å; T89-L92 WeakPolarHBondContact O-CB 3.29Å; T89-L92 PolarHBondContact O-N 3.49Å; T89-L92 VanDerWaalsContact O-N 3.13Å; T89-N93 WeakPolarHBondContact O-CB 3.38Å; T89-N93 PolarHBondContact O-N 2.94Å; T89-N93 PolarHBondContact O-ND2 2.83Å; T89-N93 PolarHBondContact OG1-ND2 2.91Å |
| 90 | E | 93 | Very high | 89.1 | Confident | 87 Ų | 87 | 72.6 Ų | 72.6 | 41% | 0.407 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -54 | -52.9 | -177.1 | -174.4 | -176.1 | 168 | 0 | 0 | 112.7 | N88 L92 N93 K94 | N88-E90 PolarHBondContact O-N 2.9Å; N88-E90 WeakPolarHBondContact OD1-CB 3.43Å; N88-E90 PolarHBondContact OD1-N 3.15Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 2.88Å; E90-N93 PolarHBondContact O-N 3.4Å; E90-K94 WeakPolarHBondContact O-CG 3.36Å; E90-K94 PolarHBondContact O-N 3.42Å; E90-K94 WeakPolarHBondContact OE1-CE 3.37Å; E90-K94 IonicContact OE1-NZ 2.93Å; E90-K94 PolarHBondContact OE1-NZ 3.39Å |
| 91 | W | 93.6 | Very high | 89.2 | Confident | 56 Ų | 56 | 73.7 Ų | 73.7 | 21% | 0.212 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 179.1 | -64.6 | -30.9 | 0 | 0 | 0 | 112.5 | F76 M79 L83 D84 T89 K94 A95 | F76-W91 HydrophobicContact CD1-CB 4.34Å; F76-W91 AromaticContact CD1-CD1 3.89Å; F76-W91 HydrophobicContact CD1-CG 4.27Å; M79-W91 VanDerWaalsContact C-CE3 3.46Å; M79-W91 HydrophobicContact CB-CD2 3.93Å; M79-W91 HydrophobicContact CB-CE3 3.74Å; M79-W91 HydrophobicContact CB-CG 4.42Å; M79-W91 HydrophobicContact CB-CZ3 4.12Å; M79-W91 HydrophobicContact CE-CD2 4.14Å; M79-W91 HydrophobicContact CE-CH2 4.18Å; M79-W91 HydrophobicContact CE-CZ2 3.59Å; M79-W91 WeakPolarHBondContact O-CZ3 3.38Å; L83-W91 HydrophobicContact CB-CH2 3.73Å; L83-W91 HydrophobicContact CB-CZ3 3.54Å; L83-W91 HydrophobicContact CD1-CH2 4.18Å; L83-W91 HydrophobicContact CD1-CZ3 4.47Å; D84-W91 HydrophobicContact CB-CE3 4.19Å; D84-W91 HydrophobicContact CB-CZ3 4.01Å; T89-W91 PolarHBondContact O-N 3.37Å; W91-K94 PolarHBondContact O-N 2.9Å; W91-A95 WeakPolarHBondContact O-CB 3.41Å; W91-A95 PolarHBondContact O-N 3.47Å |
| 92 | L | 95.8 | Very high | 89.3 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 174.6 | -178.8 | 62.6 | 0 | 0 | 0 | 111.2 | Y77 Y80 T89 E90 A95 D96 I127 K130 T131 | Y77-L92 HydrophobicContact CD2-CD1 3.98Å; Y77-L92 HydrophobicContact CE2-CD1 4.29Å; Y80-L92 HydrophobicContact CD1-CB 4.2Å; Y80-L92 HydrophobicContact CD1-CD1 4.16Å; Y80-L92 HydrophobicContact CD2-CB 4.02Å; Y80-L92 HydrophobicContact CE1-CD1 4.33Å; Y80-L92 HydrophobicContact CE1-CD2 4.08Å; Y80-L92 HydrophobicContact CE2-CB 4.33Å; Y80-L92 HydrophobicContact CE2-CD2 4.44Å; Y80-L92 HydrophobicContact CG-CB 3.95Å; T89-L92 WeakPolarHBondContact O-CB 3.29Å; T89-L92 PolarHBondContact O-N 3.49Å; T89-L92 VanDerWaalsContact O-N 3.13Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 2.88Å; L92-A95 WeakPolarHBondContact O-CB 3.23Å; L92-A95 PolarHBondContact O-N 2.95Å; L92-D96 WeakPolarHBondContact O-CB 3.29Å; L92-D96 PolarHBondContact O-N 3.13Å; L92-I127 HydrophobicContact CD1-CG2 4.3Å; L92-K130 HydrophobicContact CD1-CB 4.33Å; L92-K130 HydrophobicContact CD1-CG 4.1Å; L92-K130 HydrophobicContact CD2-CG 3.89Å; L92-T131 HydrophobicContact CD1-CG2 4.2Å; L92-T131 HydrophobicContact CD2-CG2 4.02Å; L92-T131 HydrophobicContact CG-CG2 3.93Å |
| 93 | N | 95.8 | Very high | 89.6 | Confident | 85 Ų | 85 | 62.9 Ų | 62.9 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 177.4 | -65.7 | -25.8 | 0 | 0 | 0 | 111.2 | T89 E90 A95 D96 E97 | T89-N93 WeakPolarHBondContact O-CB 3.38Å; T89-N93 PolarHBondContact O-N 2.94Å; T89-N93 PolarHBondContact O-ND2 2.83Å; T89-N93 PolarHBondContact OG1-ND2 2.91Å; E90-N93 PolarHBondContact O-N 3.4Å; N93-A95 VanDerWaalsContact C-N 3.34Å; N93-A95 PolarHBondContact O-N 3.03Å; N93-D96 PolarHBondContact O-N 2.95Å; N93-E97 PolarHBondContact O-N 3.4Å |
| 94 | K | 95 | Very high | 89.9 | Confident | 48 Ų | 48 | 69.7 Ų | 69.7 | 21% | 0.209 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 173.6 | -67.3 | -171.9 | -158.9 | -158.1 | 0 | 111.8 | E51 F76 E90 W91 E97 L98 | E51-K94 VanDerWaalsContact CD-NZ 3.27Å; E51-K94 IonicContact OE1-NZ 2.66Å; E51-K94 PolarHBondContact OE1-NZ 3.07Å; E51-K94 IonicContact OE2-NZ 3.57Å; F76-K94 HydrophobicContact CD1-CB 4.48Å; F76-K94 HydrophobicContact CD2-CB 4.29Å; F76-K94 HydrophobicContact CE1-CD 4.17Å; F76-K94 HydrophobicContact CE2-CB 4.49Å; F76-K94 HydrophobicContact CG-CB 4.29Å; F76-K94 HydrophobicContact CZ-CD 4.25Å; E90-K94 WeakPolarHBondContact O-CG 3.36Å; E90-K94 PolarHBondContact O-N 3.42Å; E90-K94 WeakPolarHBondContact OE1-CE 3.37Å; E90-K94 IonicContact OE1-NZ 2.93Å; E90-K94 PolarHBondContact OE1-NZ 3.39Å; W91-K94 PolarHBondContact O-N 2.9Å; K94-E97 PolarHBondContact O-N 3.39Å; K94-L98 VanDerWaalsContact O-CG 3.29Å; K94-L98 WeakPolarHBondContact O-CG 3.41Å; K94-L98 PolarHBondContact O-N 3.07Å; K94-L98 VanDerWaalsContact O-N 3.1Å |
| 95 | A | 96.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A73 F76 W91 L92 N93 L98 I99 I127 | A73-A95 WeakPolarHBondContact O-CB 3.41Å; F76-A95 HydrophobicContact CB-CB 3.9Å; W91-A95 WeakPolarHBondContact O-CB 3.41Å; W91-A95 PolarHBondContact O-N 3.47Å; L92-A95 WeakPolarHBondContact O-CB 3.23Å; L92-A95 PolarHBondContact O-N 2.95Å; N93-A95 VanDerWaalsContact C-N 3.34Å; N93-A95 PolarHBondContact O-N 3.03Å; A95-L98 PolarHBondContact O-N 3.38Å; A95-I99 WeakPolarHBondContact O-CB 3.45Å; A95-I99 WeakPolarHBondContact O-CG2 3.48Å; A95-I99 PolarHBondContact O-N 3Å; A95-I127 HydrophobicContact CB-CD1 3.86Å; A95-I127 HydrophobicContact CB-CG1 4.49Å |
| 96 | D | 97.7 | Very high | 91.3 | Very high | 18 Ų | 18 | 66.4 Ų | 66.4 | 10% | 0.096 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 177.3 | 177.9 | 69.2 | 0 | 0 | 0 | 112.5 | L92 N93 K100 I127 T131 Q133 | L92-D96 WeakPolarHBondContact O-CB 3.29Å; L92-D96 PolarHBondContact O-N 3.13Å; N93-D96 PolarHBondContact O-N 2.95Å; D96-K100 WeakPolarHBondContact O-CB 3.25Å; D96-K100 WeakPolarHBondContact O-CD 3.43Å; D96-K100 WeakPolarHBondContact O-CG 3.12Å; D96-K100 PolarHBondContact O-N 2.92Å; D96-K100 WeakPolarHBondContact OD1-CE 3.29Å; D96-K100 IonicContact OD1-NZ 3.42Å; D96-K100 PolarHBondContact OD1-NZ 3.28Å; D96-K100 WeakPolarHBondContact OD2-CE 3.36Å; D96-K100 IonicContact OD2-NZ 2.62Å; D96-K100 PolarHBondContact OD2-NZ 3.45Å; D96-I127 HydrophobicContact CB-CG2 3.74Å; D96-T131 HydrophobicContact CB-CG2 4.27Å; D96-Q133 PolarHBondContact OD1-NE2 3.46Å |
| 97 | E | 96.5 | Very high | 91.6 | Very high | 135 Ų | 135 | 63.7 Ų | 63.7 | 63% | 0.631 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.5 | -51.8 | 175.1 | -174.7 | -173.5 | 163.5 | 0 | 0 | 111.8 | N93 K94 I99 K100 H101 | N93-E97 PolarHBondContact O-N 3.4Å; K94-E97 PolarHBondContact O-N 3.39Å; E97-I99 PolarHBondContact O-N 3.05Å; E97-K100 PolarHBondContact O-N 3.27Å; E97-H101 PolarHBondContact O-N 3.16Å |
| 98 | L | 96.3 | Very high | 92 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | -178.5 | -69.4 | 169.4 | 0 | 0 | 0 | 111.6 | L54 Y60 I72 A73 F76 K94 A95 H101 A102 | L54-L98 HydrophobicContact CD1-CD1 4.46Å; L54-L98 HydrophobicContact CD2-CD1 4.43Å; L54-L98 HydrophobicContact CD2-CD2 3.96Å; Y60-L98 HydrophobicContact CE1-CD2 3.91Å; I72-L98 HydrophobicContact CB-CD1 4.02Å; I72-L98 HydrophobicContact CG2-CD1 3.74Å; A73-L98 HydrophobicContact CB-CB 4.03Å; F76-L98 HydrophobicContact CD2-CD1 3.75Å; F76-L98 HydrophobicContact CE2-CD1 3.82Å; K94-L98 VanDerWaalsContact O-CG 3.29Å; K94-L98 WeakPolarHBondContact O-CG 3.41Å; K94-L98 PolarHBondContact O-N 3.07Å; K94-L98 VanDerWaalsContact O-N 3.1Å; A95-L98 PolarHBondContact O-N 3.38Å; L98-H101 WeakPolarHBondContact O-CB 3.47Å; L98-H101 PolarHBondContact O-N 3.3Å; L98-A102 PolarHBondContact O-N 3.45Å |
| 99 | I | 97.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.4 | -33.1 | -177.3 | -152.9 | 66.5 | 0 | 0 | 0 | 112.4 | A73 A95 E97 H101 A102 V103 Y120 V123 A124 I127 Y128 | A73-I99 HydrophobicContact CB-CB 3.87Å; A73-I99 HydrophobicContact CB-CD1 3.86Å; A73-I99 HydrophobicContact CB-CG1 4.35Å; A95-I99 WeakPolarHBondContact O-CB 3.45Å; A95-I99 WeakPolarHBondContact O-CG2 3.48Å; A95-I99 PolarHBondContact O-N 3Å; E97-I99 PolarHBondContact O-N 3.05Å; I99-H101 VanDerWaalsContact C-N 3.25Å; I99-H101 PolarHBondContact O-N 3.2Å; I99-A102 HydrophobicContact CD1-CB 4.13Å; I99-A102 WeakPolarHBondContact O-CB 3.49Å; I99-A102 PolarHBondContact O-N 3.35Å; I99-A102 VanDerWaalsContact O-N 3.13Å; I99-V103 WeakPolarHBondContact O-CG2 3.34Å; I99-V103 PolarHBondContact O-N 2.8Å; I99-Y120 WeakPolarHBondContact CD1-O 3.16Å; I99-V123 HydrophobicContact CD1-CB 4.04Å; I99-V123 HydrophobicContact CD1-CG1 3.79Å; I99-V123 HydrophobicContact CG1-CG1 4.26Å; I99-A124 HydrophobicContact CG1-CB 3.54Å; I99-A124 HydrophobicContact CG2-CB 4.31Å; I99-I127 HydrophobicContact CB-CD1 4.09Å; I99-I127 HydrophobicContact CG1-CD1 4.38Å; I99-I127 HydrophobicContact CG2-CB 4.37Å; I99-I127 HydrophobicContact CG2-CD1 3.95Å; I99-I127 HydrophobicContact CG2-CG2 4.25Å; I99-Y128 HydrophobicContact CG2-CE1 4.09Å |
| 100 | K | 96.9 | Very high | 92.2 | Very high | 48 Ų | 48 | 61.9 Ų | 61.9 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.4 | -40.9 | 170.2 | -80 | 169.4 | 176.2 | 167.7 | 0 | 111.3 | D96 E97 R104 Y128 Q133 | D96-K100 WeakPolarHBondContact O-CB 3.25Å; D96-K100 WeakPolarHBondContact O-CD 3.43Å; D96-K100 WeakPolarHBondContact O-CG 3.12Å; D96-K100 PolarHBondContact O-N 2.92Å; D96-K100 WeakPolarHBondContact OD1-CE 3.29Å; D96-K100 IonicContact OD1-NZ 3.42Å; D96-K100 PolarHBondContact OD1-NZ 3.28Å; D96-K100 WeakPolarHBondContact OD2-CE 3.36Å; D96-K100 IonicContact OD2-NZ 2.62Å; D96-K100 PolarHBondContact OD2-NZ 3.45Å; E97-K100 PolarHBondContact O-N 3.27Å; K100-R104 VanDerWaalsContact O-CG 3.29Å; K100-R104 WeakPolarHBondContact O-CG 3.27Å; K100-R104 PolarHBondContact O-N 2.83Å; K100-R104 VanDerWaalsContact O-N 3.16Å; K100-Y128 HydrophobicContact CG-CE1 3.84Å; K100-Y128 WeakPolarHBondContact CG-OH 3.34Å; K100-Q133 VanDerWaalsContact CE-OE1 3.3Å |
| 101 | H | 95.2 | Very high | 92.2 | Very high | 58 Ų | 58 | 58.4 Ų | 58.4 | 27% | 0.269 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 174.7 | -168.6 | -65.8 | 0 | 0 | 0 | 111.3 | Y60 I69 E97 L98 I99 V103 R104 H105 | Y60-H101 AromaticContact CD1-CD2 3.98Å; Y60-H101 AromaticContact CD1-CG 3.92Å; Y60-H101 AromaticContact CD1-ND1 3.96Å; Y60-H101 PolarHBondContact O-CE1 3.01Å; Y60-H101 PolarHBondContact O-ND1 3.01Å; Y60-H101 VanDerWaalsContact O-ND1 3.13Å; I69-H101 HydrophobicContact CD1-CB 3.83Å; I69-H101 WeakPolarHBondContact CD1-ND1 3.32Å; E97-H101 PolarHBondContact O-N 3.16Å; L98-H101 WeakPolarHBondContact O-CB 3.47Å; L98-H101 PolarHBondContact O-N 3.3Å; I99-H101 VanDerWaalsContact C-N 3.25Å; I99-H101 PolarHBondContact O-N 3.2Å; H101-V103 PolarHBondContact O-N 3.17Å; H101-R104 PolarHBondContact O-N 3.46Å; H101-H105 AromaticContact CD2-CD2 3.71Å; H101-H105 AromaticContact CE1-CD2 3.28Å; H101-H105 PolarHBondContact CE1-CD2 3.38Å; H101-H105 AromaticContact CE1-CG 3.71Å; H101-H105 AromaticContact CG-CD2 3.81Å; H101-H105 AromaticContact ND1-CD2 3.58Å; H101-H105 AromaticContact NE2-CD2 3.4Å; H101-H105 PolarHBondContact NE2-CD2 3.28Å; H101-H105 AromaticContact NE2-NE2 3.99Å; H101-H105 PolarHBondContact O-CD2 3.06Å; H101-H105 PolarHBondContact O-N 3.47Å; H101-H105 VanDerWaalsContact O-N 3.08Å |
| 102 | A | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.7 | -49 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I69 L98 I99 R104 S106 Y120 | I69-A102 HydrophobicContact CD1-CB 3.9Å; I69-A102 HydrophobicContact CG1-CB 3.87Å; L98-A102 PolarHBondContact O-N 3.45Å; I99-A102 HydrophobicContact CD1-CB 4.13Å; I99-A102 WeakPolarHBondContact O-CB 3.49Å; I99-A102 PolarHBondContact O-N 3.35Å; I99-A102 VanDerWaalsContact O-N 3.13Å; A102-R104 VanDerWaalsContact C-N 3.32Å; A102-R104 PolarHBondContact O-N 3.31Å; A102-S106 WeakPolarHBondContact O-CB 3.48Å; A102-S106 PolarHBondContact O-N 3.02Å; A102-S106 PolarHBondContact O-OG 3.45Å; A102-Y120 HydrophobicContact CB-CD2 4.33Å; A102-Y120 HydrophobicContact CB-CG 4.29Å |
| 103 | V | 95.7 | Very high | 92.5 | Very high | 44 Ų | 44 | 55.6 Ų | 55.6 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | -179.6 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | I99 H101 Y120 A124 L140 | I99-V103 WeakPolarHBondContact O-CG2 3.34Å; I99-V103 PolarHBondContact O-N 2.8Å; H101-V103 PolarHBondContact O-N 3.17Å; V103-Y120 HydrophobicContact CG2-CD2 4.18Å; V103-Y120 HydrophobicContact CG2-CE2 4.49Å; V103-A124 HydrophobicContact CG2-CB 3.6Å; V103-L140 HydrophobicContact CG1-CD2 4.27Å; V103-L140 HydrophobicContact CG2-CD1 4.25Å |
| 104 | R | 93.6 | Very high | 92.6 | Very high | 184 Ų | 184 | 52.1 Ų | 52.1 | 69% | 0.694 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -77.2 | -35 | -177.1 | -73.2 | 174.6 | -176.5 | 172.4 | 1.1 | 114.5 | K100 H101 A102 | K100-R104 VanDerWaalsContact O-CG 3.29Å; K100-R104 WeakPolarHBondContact O-CG 3.27Å; K100-R104 PolarHBondContact O-N 2.83Å; K100-R104 VanDerWaalsContact O-N 3.16Å; H101-R104 PolarHBondContact O-N 3.46Å; A102-R104 VanDerWaalsContact C-N 3.32Å; A102-R104 PolarHBondContact O-N 3.31Å |
| 105 | H | 89.7 | Confident | 92.7 | Very high | 106 Ų | 106 | 50.6 Ų | 50.6 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -116.1 | -14.1 | -164.8 | -63.7 | -64.4 | 0 | 0 | 0 | 114.2 | H101 S107 | H101-H105 AromaticContact CD2-CD2 3.71Å; H101-H105 AromaticContact CE1-CD2 3.28Å; H101-H105 PolarHBondContact CE1-CD2 3.38Å; H101-H105 AromaticContact CE1-CG 3.71Å; H101-H105 AromaticContact CG-CD2 3.81Å; H101-H105 AromaticContact ND1-CD2 3.58Å; H101-H105 AromaticContact NE2-CD2 3.4Å; H101-H105 PolarHBondContact NE2-CD2 3.28Å; H101-H105 AromaticContact NE2-NE2 3.99Å; H101-H105 PolarHBondContact O-CD2 3.06Å; H101-H105 PolarHBondContact O-N 3.47Å; H101-H105 VanDerWaalsContact O-N 3.08Å; H105-S107 PolarHBondContact O-N 2.97Å |
| 106 | S | 85.1 | Confident | 92.6 | Very high | 20 Ų | 20 | 50.7 Ų | 50.7 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | trans | -73.7 | 132.6 | 177.1 | -53.2 | 0 | 0 | 0 | 0 | 109.9 | G63 A102 | G63-S106 WeakPolarHBondContact CA-OG 3.42Å; G63-S106 PolarHBondContact N-OG 3.37Å; A102-S106 WeakPolarHBondContact O-CB 3.48Å; A102-S106 PolarHBondContact O-N 3.02Å; A102-S106 PolarHBondContact O-OG 3.45Å | ||
| 107 | S | 77.2 | Confident | 92.4 | Very high | 116 Ų | 116 | 51.4 Ų | 51.4 | 81% | 0.811 | 28% | 0.277 | S | S | * | . | trans | -127.2 | 139.8 | 174.3 | 55.1 | 0 | 0 | 0 | 0 | 108 | H105 | H105-S107 PolarHBondContact O-N 2.97Š| ||
| 108 | G | 77.7 | Confident | 92.5 | Very high | 48 Ų | 48 | 45 Ų | 45 | 50% | 0.495 | 25% | 0.247 | S | C | . | . | trans | 173.1 | 162.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111 | N117 | G108-N117 PolarHBondContact O-ND2 2.66Š| ||
| 109 | S | 81.9 | Confident | 92.5 | Very high | 114 Ų | 114 | 44.6 Ų | 44.6 | 80% | 0.797 | 25% | 0.245 | S | C | * | . | trans | -118.1 | -0.8 | 175.9 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 110 | K | 90.9 | Very high | 92.5 | Very high | 116 Ų | 116 | 45.2 Ų | 45.2 | 50% | 0.504 | 25% | 0.248 | S | C | . | . | trans | -76.2 | 144.3 | -178.3 | -66.8 | 176.6 | 176 | -175.8 | 0 | 110.1 | G116 N117 F163 | K110-G116 CarbonylContact O-C 3.19Å; K110-G116 WeakPolarHBondContact O-CA 3.31Å; K110-N117 PolarHBondContact O-N 2.75Å; K110-F163 HydrophobicContact CD-CD1 3.84Å; K110-F163 HydrophobicContact CD-CE1 4.06Å | ||
| 111 | V | 92.1 | Very high | 92.6 | Very high | 14 Ų | 14 | 43 Ų | 43 | 9% | 0.085 | 24% | 0.238 | C | C | . | . | trans | -124 | 88.2 | -172.8 | -70.3 | 0 | 0 | 0 | 0 | 110.1 | L147 V151 I157 | V111-L147 HydrophobicContact CG1-CD1 4.13Å; V111-V151 HydrophobicContact CB-CG2 4.08Å; V111-V151 HydrophobicContact CG1-CG2 4.34Å; V111-V151 HydrophobicContact CG2-CG2 3.83Å; V111-I157 HydrophobicContact CG2-CD1 3.76Å; V111-I157 HydrophobicContact CG2-CG1 4.3Å; V111-I157 HydrophobicContact CG2-CG2 4.21Å | ||
| 112 | S | 97.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -162.9 | 157.9 | 175.2 | 65.9 | 0 | 0 | 0 | 0 | 109.8 | L114 C115 G116 T118 G119 L162 | S112-L114 VanDerWaalsContact C-N 3.35Å; S112-L114 PolarHBondContact O-N 3.13Å; S112-C115 PolarHBondContact OG-N 3.34Å; S112-G116 CarbonylContact O-C 3.45Å; S112-G116 VanDerWaalsContact O-C 3.29Å; S112-G116 VanDerWaalsContact O-CA 3.23Å; S112-G116 WeakPolarHBondContact O-CA 3.49Å; S112-G116 PolarHBondContact O-N 3.15Å; S112-G116 VanDerWaalsContact O-N 3.09Å; S112-G116 PolarHBondContact OG-N 2.93Å; S112-T118 PolarHBondContact N-OG1 3.26Å; S112-T118 PolarHBondContact O-OG1 2.96Å; S112-G119 PolarHBondContact O-N 3.35Å; S112-L162 VanDerWaalsContact CB-O 3.25Å; S112-L162 WeakPolarHBondContact CB-O 3.33Å; S112-L162 PolarHBondContact OG-O 3.02Å |
| 113 | F | 98.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -38.5 | 177.6 | -170.2 | -96.8 | 0 | 0 | 0 | 113.2 | V65 L74 G119 A122 V123 G167 Y170 S171 F174 | V65-F113 HydrophobicContact CB-CD1 4.5Å; V65-F113 HydrophobicContact CB-CE1 4.39Å; V65-F113 WeakPolarHBondContact CB-O 3.45Å; V65-F113 HydrophobicContact CG1-CD1 4.25Å; V65-F113 HydrophobicContact CG1-CE1 3.82Å; V65-F113 HydrophobicContact CG2-CD1 4.45Å; V65-F113 HydrophobicContact CG2-CE1 4.2Å; V65-F113 HydrophobicContact CG2-CZ 4.47Å; V65-F113 VanDerWaalsContact CG2-O 3.28Å; V65-F113 WeakPolarHBondContact CG2-O 3.21Å; L74-F113 HydrophobicContact CD2-CE1 4.11Å; L74-F113 HydrophobicContact CD2-CZ 4.16Å; F113-G119 WeakPolarHBondContact O-CA 3.33Å; F113-A122 HydrophobicContact CD2-CB 4.31Å; F113-A122 HydrophobicContact CE2-CB 4.05Å; F113-V123 HydrophobicContact CE2-CG2 4.11Å; F113-V123 HydrophobicContact CZ-CG2 3.8Å; F113-G167 WeakPolarHBondContact CB-O 3.48Å; F113-G167 PolarHBondContact N-O 2.94Å; F113-Y170 HydrophobicContact CB-CD1 3.58Å; F113-Y170 HydrophobicContact CB-CE1 4.3Å; F113-Y170 AromaticContact CD1-CD1 3.69Å; F113-Y170 HydrophobicContact CD1-CD1 3.69Å; F113-Y170 AromaticContact CD1-CE1 3.49Å; F113-Y170 HydrophobicContact CD1-CE1 3.49Å; F113-Y170 VanDerWaalsContact CD1-CE1 3.49Å; F113-Y170 AromaticContact CD2-CD1 3.95Å; F113-Y170 HydrophobicContact CD2-CD1 3.95Å; F113-Y170 HydrophobicContact CD2-CE1 4.11Å; F113-Y170 HydrophobicContact CE1-CD1 4.33Å; F113-Y170 AromaticContact CE1-CE1 3.7Å; F113-Y170 HydrophobicContact CE1-CE1 3.7Å; F113-Y170 HydrophobicContact CE2-CE1 4.29Å; F113-Y170 AromaticContact CG-CD1 3.46Å; F113-Y170 HydrophobicContact CG-CD1 3.46Å; F113-Y170 VanDerWaalsContact CG-CD1 3.46Å; F113-Y170 AromaticContact CG-CE1 3.7Å; F113-Y170 HydrophobicContact CG-CE1 3.7Å; F113-Y170 HydrophobicContact CZ-CE1 4.1Å; F113-S171 VanDerWaalsContact CA-OG 3.32Å; F113-S171 WeakPolarHBondContact CA-OG 3.47Å; F113-S171 WeakPolarHBondContact CB-OG 3.47Å; F113-S171 PolarHBondContact N-OG 3.43Å; F113-F174 HydrophobicContact CD2-CB 4.37Å; F113-F174 HydrophobicContact CD2-CG 4.48Å; F113-F174 HydrophobicContact CE2-CB 3.91Å; F113-F174 AromaticContact CE2-CD1 3.86Å; F113-F174 HydrophobicContact CE2-CD1 3.86Å; F113-F174 AromaticContact CE2-CD2 3.79Å; F113-F174 HydrophobicContact CE2-CD2 3.79Å; F113-F174 HydrophobicContact CE2-CE1 4.32Å; F113-F174 HydrophobicContact CE2-CE2 4.26Å; F113-F174 AromaticContact CE2-CG 3.57Å; F113-F174 HydrophobicContact CE2-CG 3.57Å; F113-F174 HydrophobicContact CE2-CZ 4.5Å; F113-F174 HydrophobicContact CZ-CD1 4.38Å; F113-F174 AromaticContact CZ-CD2 3.66Å; F113-F174 HydrophobicContact CZ-CD2 3.66Å; F113-F174 AromaticContact CZ-CE2 3.83Å; F113-F174 HydrophobicContact CZ-CE2 3.83Å; F113-F174 AromaticContact CZ-CG 3.95Å; F113-F174 HydrophobicContact CZ-CG 3.95Å; F113-F174 HydrophobicContact CZ-CZ 4.26Å |
| 114 | L | 97.5 | Very high | 93 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -47.1 | -171.6 | -70.4 | 176.8 | 0 | 0 | 0 | 112.6 | T64 V65 Y66 S112 L161 L162 W284 F382 | T64-L114 WeakPolarHBondContact CB-O 3.36Å; V65-L114 HydrophobicContact CB-CD2 4.4Å; V65-L114 HydrophobicContact CG1-CD2 4.02Å; V65-L114 PolarHBondContact N-O 2.95Å; V65-L114 VanDerWaalsContact N-O 3.07Å; Y66-L114 VanDerWaalsContact CB-O 3.29Å; Y66-L114 WeakPolarHBondContact CB-O 3.44Å; Y66-L114 HydrophobicContact CD2-CB 4.43Å; Y66-L114 PolarHBondContact N-O 3.21Å; S112-L114 VanDerWaalsContact C-N 3.35Å; S112-L114 PolarHBondContact O-N 3.13Å; L114-L161 HydrophobicContact CD1-CD2 4.42Å; L114-L161 HydrophobicContact CD1-CG 4.45Å; L114-L162 HydrophobicContact CB-CD2 4.06Å; L114-L162 HydrophobicContact CD1-CD2 3.34Å; L114-L162 HydrophobicContact CG-CD2 4.34Å; L114-W284 HydrophobicContact CD1-CH2 4.11Å; L114-F382 HydrophobicContact CD1-CE1 4.11Å; L114-F382 HydrophobicContact CD1-CZ 3.95Å; L114-F382 HydrophobicContact CD2-CD2 4.17Å; L114-F382 HydrophobicContact CD2-CE1 4.23Å; L114-F382 HydrophobicContact CD2-CE2 3.31Å; L114-F382 HydrophobicContact CD2-CZ 3.35Å; L114-F382 HydrophobicContact CG-CZ 4.32Å |
| 115 | C | 96.4 | Very high | 93.3 | Very high | 17 Ų | 17 | 29.4 Ų | 29.4 | 12% | 0.115 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 7.3 | -171.1 | -53.4 | 0 | 0 | 0 | 0 | 113.9 | S112 L162 F163 | S112-C115 PolarHBondContact OG-N 3.34Å; C115-L162 VanDerWaalsContact CB-O 3.27Å; C115-L162 WeakPolarHBondContact CB-O 3.43Å; C115-F163 HydrophobicContact CB-CD1 3.63Å; C115-F163 HydrophobicContact CB-CE1 3.25Å; C115-F163 HydrophobicContact CB-CZ 4.02Å |
| 116 | G | 94.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -118.9 | 177.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K110 S112 T118 G119 | K110-G116 CarbonylContact O-C 3.19Å; K110-G116 WeakPolarHBondContact O-CA 3.31Å; S112-G116 CarbonylContact O-C 3.45Å; S112-G116 VanDerWaalsContact O-C 3.29Å; S112-G116 VanDerWaalsContact O-CA 3.23Å; S112-G116 WeakPolarHBondContact O-CA 3.49Å; S112-G116 PolarHBondContact O-N 3.15Å; S112-G116 VanDerWaalsContact O-N 3.09Å; S112-G116 PolarHBondContact OG-N 2.93Å; G116-T118 VanDerWaalsContact C-N 3.33Å; G116-T118 PolarHBondContact O-N 3.09Å; G116-G119 PolarHBondContact O-N 3.37Å |
| 117 | N | 94.7 | Very high | 94.3 | Very high | 34 Ų | 34 | 23.5 Ų | 23.5 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68 | -36.3 | -173.1 | -63.1 | 5.6 | 0 | 0 | 0 | 112.2 | G108 K110 G119 Y120 M121 | G108-N117 PolarHBondContact O-ND2 2.66Å; K110-N117 PolarHBondContact O-N 2.75Å; N117-G119 PolarHBondContact O-N 3.06Å; N117-Y120 VanDerWaalsContact CA-CE1 3.41Å; N117-Y120 HydrophobicContact CB-CE1 3.97Å; N117-Y120 WeakPolarHBondContact CB-OH 2.87Å; N117-Y120 PolarHBondContact O-N 3.1Å; N117-M121 HydrophobicContact CB-SD 3.97Å; N117-M121 WeakPolarHBondContact O-CG 3.33Å; N117-M121 PolarHBondContact O-N 3.4Å |
| 118 | T | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.7 | -19.6 | -176 | 65 | 0 | 0 | 0 | 0 | 113.2 | S112 G116 A122 I144 L147 Y168 S171 | S112-T118 PolarHBondContact N-OG1 3.26Å; S112-T118 PolarHBondContact O-OG1 2.96Å; G116-T118 VanDerWaalsContact C-N 3.33Å; G116-T118 PolarHBondContact O-N 3.09Å; T118-A122 WeakPolarHBondContact O-CB 3.24Å; T118-A122 PolarHBondContact O-N 3.49Å; T118-I144 HydrophobicContact CG2-CG1 4.24Å; T118-I144 HydrophobicContact CG2-CG2 4.24Å; T118-L147 HydrophobicContact CG2-CD1 3.64Å; T118-Y168 HydrophobicContact CG2-CD2 3.88Å; T118-Y168 HydrophobicContact CG2-CE2 4.04Å; T118-S171 PolarHBondContact OG1-OG 2.68Å |
| 119 | G | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.2 | -67.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S112 F113 G116 N117 M121 A122 V123 | S112-G119 PolarHBondContact O-N 3.35Å; F113-G119 WeakPolarHBondContact O-CA 3.33Å; G116-G119 PolarHBondContact O-N 3.37Å; N117-G119 PolarHBondContact O-N 3.06Å; G119-M121 PolarHBondContact O-N 3.1Å; G119-A122 PolarHBondContact O-N 3.21Å; G119-V123 WeakPolarHBondContact O-CG2 3.38Å; G119-V123 PolarHBondContact O-N 3.33Å |
| 120 | Y | 97 | Very high | 96.9 | Very high | 13 Ų | 13 | 18.1 Ų | 18.1 | 5% | 0.051 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.5 | -29.5 | -178.8 | 65.4 | -105.4 | 0 | 0 | 0 | 111.6 | G63 I99 A102 V103 N117 V123 A124 | G63-Y120 VanDerWaalsContact O-CB 3.3Å; G63-Y120 WeakPolarHBondContact O-CB 3.49Å; G63-Y120 WeakPolarHBondContact O-CD1 2.7Å; I99-Y120 WeakPolarHBondContact CD1-O 3.16Å; A102-Y120 HydrophobicContact CB-CD2 4.33Å; A102-Y120 HydrophobicContact CB-CG 4.29Å; V103-Y120 HydrophobicContact CG2-CD2 4.18Å; V103-Y120 HydrophobicContact CG2-CE2 4.49Å; N117-Y120 VanDerWaalsContact CA-CE1 3.41Å; N117-Y120 HydrophobicContact CB-CE1 3.97Å; N117-Y120 WeakPolarHBondContact CB-OH 2.87Å; N117-Y120 PolarHBondContact O-N 3.1Å; Y120-V123 PolarHBondContact O-N 3.41Å; Y120-A124 VanDerWaalsContact O-CB 3.23Å; Y120-A124 WeakPolarHBondContact O-CB 3.42Å; Y120-A124 PolarHBondContact O-N 3.41Å |
| 121 | M | 97.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 2% | 0.015 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.8 | -43 | 174.1 | -63.7 | 167.2 | 72.5 | 0 | 0 | 111.5 | N117 G119 A124 A125 L140 E143 I144 | N117-M121 HydrophobicContact CB-SD 3.97Å; N117-M121 WeakPolarHBondContact O-CG 3.33Å; N117-M121 PolarHBondContact O-N 3.4Å; G119-M121 PolarHBondContact O-N 3.1Å; M121-A124 WeakPolarHBondContact O-CB 3.25Å; M121-A124 PolarHBondContact O-N 3.4Å; M121-A125 PolarHBondContact O-N 2.87Å; M121-L140 HydrophobicContact CB-CD2 4.38Å; M121-L140 HydrophobicContact CE-CD2 3.93Å; M121-L140 HydrophobicContact CG-CD2 4.19Å; M121-E143 HydrophobicContact CE-CB 3.73Å; M121-E143 HydrophobicContact CE-CG 3.65Å; M121-E143 WeakPolarHBondContact CE-OE1 3.4Å; M121-E143 VanDerWaalsContact CE-OE2 3.29Å; M121-E143 WeakPolarHBondContact CE-OE2 3.39Å; M121-I144 HydrophobicContact CB-CD1 3.68Å; M121-I144 HydrophobicContact CB-CG1 4.05Å; M121-I144 HydrophobicContact CE-CG1 3.87Å; M121-I144 HydrophobicContact SD-CG1 4.29Å |
| 122 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F113 T118 G119 A125 A126 I144 F174 I175 | F113-A122 HydrophobicContact CD2-CB 4.31Å; F113-A122 HydrophobicContact CE2-CB 4.05Å; T118-A122 WeakPolarHBondContact O-CB 3.24Å; T118-A122 PolarHBondContact O-N 3.49Å; G119-A122 PolarHBondContact O-N 3.21Å; A122-A125 PolarHBondContact O-N 2.91Å; A122-A126 PolarHBondContact O-N 3.21Å; A122-I144 HydrophobicContact CB-CD1 4.14Å; A122-F174 HydrophobicContact CB-CD1 3.95Å; A122-I175 HydrophobicContact CB-CD1 4.01Å; A122-I175 HydrophobicContact CB-CG1 3.72Å |
| 123 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 173.5 | 175.1 | 0 | 0 | 0 | 0 | 111 | V65 A73 L74 I99 F113 G119 Y120 A126 I127 F174 | V65-V123 HydrophobicContact CG2-CG2 4.24Å; A73-V123 HydrophobicContact CB-CG1 4.48Å; L74-V123 HydrophobicContact CB-CG1 4.14Å; L74-V123 HydrophobicContact CB-CG2 4.21Å; L74-V123 HydrophobicContact CD1-CG2 4.23Å; L74-V123 HydrophobicContact CD2-CG2 4.37Å; I99-V123 HydrophobicContact CD1-CB 4.04Å; I99-V123 HydrophobicContact CD1-CG1 3.79Å; I99-V123 HydrophobicContact CG1-CG1 4.26Å; F113-V123 HydrophobicContact CE2-CG2 4.11Å; F113-V123 HydrophobicContact CZ-CG2 3.8Å; G119-V123 WeakPolarHBondContact O-CG2 3.38Å; G119-V123 PolarHBondContact O-N 3.33Å; Y120-V123 PolarHBondContact O-N 3.41Å; V123-A126 PolarHBondContact O-N 3.43Å; V123-I127 HydrophobicContact CG1-CD1 3.73Å; V123-I127 WeakPolarHBondContact O-CG1 3.4Å; V123-I127 PolarHBondContact O-N 3.49Å; V123-I127 VanDerWaalsContact O-N 3.09Å; V123-F174 HydrophobicContact CG2-CE1 4.28Å; V123-F174 HydrophobicContact CG2-CZ 4.14Å |
| 124 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.3 | -46 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I99 V103 Y120 M121 A126 I127 Y128 L140 | I99-A124 HydrophobicContact CG1-CB 3.54Å; I99-A124 HydrophobicContact CG2-CB 4.31Å; V103-A124 HydrophobicContact CG2-CB 3.6Å; Y120-A124 VanDerWaalsContact O-CB 3.23Å; Y120-A124 WeakPolarHBondContact O-CB 3.42Å; Y120-A124 PolarHBondContact O-N 3.41Å; M121-A124 WeakPolarHBondContact O-CB 3.25Å; M121-A124 PolarHBondContact O-N 3.4Å; A124-A126 VanDerWaalsContact C-N 3.32Å; A124-A126 PolarHBondContact O-N 2.94Å; A124-I127 PolarHBondContact O-N 3.15Å; A124-Y128 HydrophobicContact CB-CD2 4.41Å; A124-Y128 HydrophobicContact CB-CE2 4.1Å; A124-Y128 VanDerWaalsContact O-CB 3.24Å; A124-Y128 WeakPolarHBondContact O-CB 3.48Å; A124-Y128 PolarHBondContact O-N 3.4Å; A124-L140 HydrophobicContact CB-CD1 3.57Å |
| 125 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.1 | -45.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | M121 A122 Y128 L129 A137 I141 | M121-A125 PolarHBondContact O-N 2.87Å; A122-A125 PolarHBondContact O-N 2.91Å; A125-Y128 PolarHBondContact O-N 3.28Å; A125-L129 WeakPolarHBondContact O-CG 3.14Å; A125-L129 PolarHBondContact O-N 3.41Å; A125-A137 HydrophobicContact CB-CB 4.3Å; A125-A137 WeakPolarHBondContact O-CB 3.3Å; A125-I141 HydrophobicContact CB-CD1 3.98Å; A125-I141 HydrophobicContact CB-CG1 3.72Å |
| 126 | A | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 2% | 0.017 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y77 A122 V123 A124 K130 F174 E178 | Y77-A126 HydrophobicContact CE1-CB 4.19Å; A122-A126 PolarHBondContact O-N 3.21Å; V123-A126 PolarHBondContact O-N 3.43Å; A124-A126 VanDerWaalsContact C-N 3.32Å; A124-A126 PolarHBondContact O-N 2.94Å; A126-K130 PolarHBondContact O-N 3.06Å; A126-F174 HydrophobicContact CB-CE1 4.11Å; A126-E178 HydrophobicContact CB-CB 3.88Å |
| 127 | I | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.3 | -40.4 | 178.9 | -66.7 | 165.7 | 0 | 0 | 0 | 111.3 | A73 Y77 L92 A95 D96 I99 V123 A124 K130 T131 | A73-I127 HydrophobicContact CB-CD1 4.27Å; Y77-I127 HydrophobicContact CD1-CG1 4.5Å; Y77-I127 HydrophobicContact CD2-CG1 3.88Å; Y77-I127 HydrophobicContact CE2-CG1 4.4Å; Y77-I127 HydrophobicContact CG-CD1 4.5Å; Y77-I127 HydrophobicContact CG-CG1 3.93Å; L92-I127 HydrophobicContact CD1-CG2 4.3Å; A95-I127 HydrophobicContact CB-CD1 3.86Å; A95-I127 HydrophobicContact CB-CG1 4.49Å; D96-I127 HydrophobicContact CB-CG2 3.74Å; I99-I127 HydrophobicContact CB-CD1 4.09Å; I99-I127 HydrophobicContact CG1-CD1 4.38Å; I99-I127 HydrophobicContact CG2-CB 4.37Å; I99-I127 HydrophobicContact CG2-CD1 3.95Å; I99-I127 HydrophobicContact CG2-CG2 4.25Å; V123-I127 HydrophobicContact CG1-CD1 3.73Å; V123-I127 WeakPolarHBondContact O-CG1 3.4Å; V123-I127 PolarHBondContact O-N 3.49Å; V123-I127 VanDerWaalsContact O-N 3.09Å; A124-I127 PolarHBondContact O-N 3.15Å; I127-K130 PolarHBondContact O-N 3.13Å; I127-T131 HydrophobicContact CG2-CG2 4.36Å; I127-T131 WeakPolarHBondContact O-CG2 3.1Å; I127-T131 PolarHBondContact O-N 3.46Å; I127-T131 PolarHBondContact O-OG1 2.79Å |
| 128 | Y | 98.5 | Very high | 97.8 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.6 | -43.2 | 179.1 | -73.2 | -9.5 | 0 | 0 | 0 | 112 | I99 K100 A124 A125 K130 T131 G132 Q133 K136 L140 | I99-Y128 HydrophobicContact CG2-CE1 4.09Å; K100-Y128 HydrophobicContact CG-CE1 3.84Å; K100-Y128 WeakPolarHBondContact CG-OH 3.34Å; A124-Y128 HydrophobicContact CB-CD2 4.41Å; A124-Y128 HydrophobicContact CB-CE2 4.1Å; A124-Y128 VanDerWaalsContact O-CB 3.24Å; A124-Y128 WeakPolarHBondContact O-CB 3.48Å; A124-Y128 PolarHBondContact O-N 3.4Å; A125-Y128 PolarHBondContact O-N 3.28Å; Y128-K130 VanDerWaalsContact C-N 3.29Å; Y128-K130 PolarHBondContact O-N 2.75Å; Y128-T131 WeakPolarHBondContact CA-OG1 3.14Å; Y128-T131 CarbonylContact O-C 3.21Å; Y128-T131 PolarHBondContact O-N 3.13Å; Y128-T131 PolarHBondContact O-OG1 3.31Å; Y128-G132 PolarHBondContact O-N 3.1Å; Y128-Q133 HydrophobicContact CD1-CB 4.44Å; Y128-Q133 HydrophobicContact CG-CB 4.2Å; Y128-Q133 PolarHBondContact O-N 3.38Å; Y128-K136 HydrophobicContact CD2-CB 3.66Å; Y128-K136 HydrophobicContact CE2-CB 3.98Å; Y128-K136 HydrophobicContact CE2-CD 4.41Å; Y128-K136 HydrophobicContact CG-CB 4.45Å; Y128-L140 HydrophobicContact CD2-CD1 3.94Å; Y128-L140 HydrophobicContact CE2-CD1 3.67Å |
| 129 | L | 97.5 | Very high | 97.8 | Very high | 40 Ų | 40 | 39.2 Ų | 39.2 | 21% | 0.209 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.3 | -42.7 | 171.7 | -71.4 | 174 | 0 | 0 | 0 | 111.5 | A125 T131 G132 T134 A137 C179 Y183 | A125-L129 WeakPolarHBondContact O-CG 3.14Å; A125-L129 PolarHBondContact O-N 3.41Å; L129-T131 VanDerWaalsContact C-N 3.26Å; L129-T131 PolarHBondContact O-N 2.65Å; L129-G132 PolarHBondContact O-N 3.5Å; L129-T134 HydrophobicContact CD2-CG2 3.89Å; L129-A137 HydrophobicContact CD1-CB 4.5Å; L129-A137 HydrophobicContact CD2-CB 3.81Å; L129-A137 HydrophobicContact CG-CB 3.64Å; L129-C179 HydrophobicContact CD1-CB 3.4Å; L129-C179 VanDerWaalsContact CD1-CB 3.4Å; L129-Y183 HydrophobicContact CD1-CD2 4.46Å; L129-Y183 HydrophobicContact CD1-CE2 3.84Å |
| 130 | K | 95.6 | Very high | 97.8 | Very high | 112 Ų | 112 | 39.8 Ų | 39.8 | 49% | 0.487 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.1 | -25.8 | -179.5 | -164.8 | 59 | 173.3 | 173.6 | 0 | 113.5 | Y77 Y80 L92 A126 I127 Y128 | Y77-K130 HydrophobicContact CE2-CB 4.43Å; Y77-K130 HydrophobicContact CE2-CG 4.43Å; Y80-K130 HydrophobicContact CE1-CD 4.45Å; Y80-K130 HydrophobicContact CE1-CG 4.04Å; Y80-K130 WeakPolarHBondContact OH-CE 3.29Å; L92-K130 HydrophobicContact CD1-CB 4.33Å; L92-K130 HydrophobicContact CD1-CG 4.1Å; L92-K130 HydrophobicContact CD2-CG 3.89Å; A126-K130 PolarHBondContact O-N 3.06Å; I127-K130 PolarHBondContact O-N 3.13Å; Y128-K130 VanDerWaalsContact C-N 3.29Å; Y128-K130 PolarHBondContact O-N 2.75Å |
| 131 | T | 96.1 | Very high | 97.9 | Very high | 45 Ų | 45 | 39.4 Ų | 39.4 | 28% | 0.276 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 7.7 | 177.8 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | L92 D96 I127 Y128 L129 Q133 | L92-T131 HydrophobicContact CD1-CG2 4.2Å; L92-T131 HydrophobicContact CD2-CG2 4.02Å; L92-T131 HydrophobicContact CG-CG2 3.93Å; D96-T131 HydrophobicContact CB-CG2 4.27Å; I127-T131 HydrophobicContact CG2-CG2 4.36Å; I127-T131 WeakPolarHBondContact O-CG2 3.1Å; I127-T131 PolarHBondContact O-N 3.46Å; I127-T131 PolarHBondContact O-OG1 2.79Å; Y128-T131 WeakPolarHBondContact CA-OG1 3.14Å; Y128-T131 CarbonylContact O-C 3.21Å; Y128-T131 PolarHBondContact O-N 3.13Å; Y128-T131 PolarHBondContact O-OG1 3.31Å; L129-T131 VanDerWaalsContact C-N 3.26Å; L129-T131 PolarHBondContact O-N 2.65Å; T131-Q133 VanDerWaalsContact C-N 3.35Å; T131-Q133 PolarHBondContact O-N 3.12Å; T131-Q133 PolarHBondContact OG1-NE2 3.28Å |
| 132 | G | 96.4 | Very high | 97.9 | Very high | 59 Ų | 59 | 41.4 Ų | 41.4 | 61% | 0.608 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 12.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y128 L129 T134 | Y128-G132 PolarHBondContact O-N 3.1Å; L129-G132 PolarHBondContact O-N 3.5Å; G132-T134 VanDerWaalsContact C-N 3.26Å; G132-T134 PolarHBondContact O-N 3.34Å |
| 133 | Q | 97.8 | Very high | 97.8 | Very high | 36 Ų | 36 | 46 Ų | 46 | 17% | 0.168 | 25% | 0.248 | C | C | . | . | trans | -89.6 | 51.6 | 175.9 | -65.6 | 174.8 | 90.7 | 0 | 0 | 111.1 | D96 K100 Y128 T131 D135 K136 A137 | D96-Q133 PolarHBondContact OD1-NE2 3.46Å; K100-Q133 VanDerWaalsContact CE-OE1 3.3Å; Y128-Q133 HydrophobicContact CD1-CB 4.44Å; Y128-Q133 HydrophobicContact CG-CB 4.2Å; Y128-Q133 PolarHBondContact O-N 3.38Å; T131-Q133 VanDerWaalsContact C-N 3.35Å; T131-Q133 PolarHBondContact O-N 3.12Å; T131-Q133 PolarHBondContact OG1-NE2 3.28Å; Q133-D135 PolarHBondContact O-N 3Å; Q133-K136 HydrophobicContact CB-CD 4.37Å; Q133-K136 PolarHBondContact O-N 2.88Å; Q133-A137 PolarHBondContact O-N 3.41Å | ||
| 134 | T | 97.6 | Very high | 97.7 | Very high | 53 Ų | 53 | 46 Ų | 46 | 33% | 0.325 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -55.7 | -47.4 | -170.1 | -53.9 | 0 | 0 | 0 | 0 | 113.2 | L129 G132 K136 A137 E138 | L129-T134 HydrophobicContact CD2-CG2 3.89Å; G132-T134 VanDerWaalsContact C-N 3.26Å; G132-T134 PolarHBondContact O-N 3.34Å; T134-K136 VanDerWaalsContact C-N 3.28Å; T134-K136 PolarHBondContact O-N 3.44Å; T134-A137 WeakPolarHBondContact O-CA 3.45Å; T134-A137 WeakPolarHBondContact O-CB 3.48Å; T134-A137 PolarHBondContact O-N 2.64Å; T134-E138 HydrophobicContact CG2-CG 4.27Å; T134-E138 WeakPolarHBondContact O-CG 3.46Å; T134-E138 PolarHBondContact O-N 3.29Å |
| 135 | D | 98.2 | Very high | 97.7 | Very high | 132 Ų | 132 | 48 Ų | 48 | 71% | 0.706 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -56.7 | -41.9 | -178.4 | -57.5 | -12.4 | 0 | 0 | 0 | 112.3 | Q133 A137 E138 E139 | Q133-D135 PolarHBondContact O-N 3Å; D135-A137 VanDerWaalsContact C-N 3.34Å; D135-E138 PolarHBondContact O-N 3.08Å; D135-E139 WeakPolarHBondContact O-CB 3.28Å; D135-E139 PolarHBondContact O-N 3.02Å |
| 136 | K | 98.1 | Very high | 97.6 | Very high | 95 Ų | 95 | 54.2 Ų | 54.2 | 41% | 0.413 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.2 | -34.3 | 177.7 | -62.1 | -176.7 | -171.9 | 167.9 | 0 | 112.2 | Y128 Q133 T134 L140 | Y128-K136 HydrophobicContact CD2-CB 3.66Å; Y128-K136 HydrophobicContact CE2-CB 3.98Å; Y128-K136 HydrophobicContact CE2-CD 4.41Å; Y128-K136 HydrophobicContact CG-CB 4.45Å; Q133-K136 HydrophobicContact CB-CD 4.37Å; Q133-K136 PolarHBondContact O-N 2.88Å; T134-K136 VanDerWaalsContact C-N 3.28Å; T134-K136 PolarHBondContact O-N 3.44Å; K136-L140 WeakPolarHBondContact O-CG 3.42Å; K136-L140 PolarHBondContact O-N 3.45Å |
| 137 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.8 | -44.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A125 L129 Q133 T134 D135 L140 I141 | A125-A137 HydrophobicContact CB-CB 4.3Å; A125-A137 WeakPolarHBondContact O-CB 3.3Å; L129-A137 HydrophobicContact CD1-CB 4.5Å; L129-A137 HydrophobicContact CD2-CB 3.81Å; L129-A137 HydrophobicContact CG-CB 3.64Å; Q133-A137 PolarHBondContact O-N 3.41Å; T134-A137 WeakPolarHBondContact O-CA 3.45Å; T134-A137 WeakPolarHBondContact O-CB 3.48Å; T134-A137 PolarHBondContact O-N 2.64Å; D135-A137 VanDerWaalsContact C-N 3.34Å; A137-L140 PolarHBondContact O-N 3.31Å; A137-I141 WeakPolarHBondContact O-CB 3.42Å; A137-I141 WeakPolarHBondContact O-CD1 3.42Å; A137-I141 WeakPolarHBondContact O-CG1 3.34Å; A137-I141 PolarHBondContact O-N 3.24Å |
| 138 | E | 98.3 | Very high | 97.3 | Very high | 88 Ų | 88 | 56.9 Ų | 56.9 | 41% | 0.411 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 178.8 | -69.4 | -175.1 | 171.6 | 0 | 0 | 112.1 | T134 D135 I141 A142 Y183 | T134-E138 HydrophobicContact CG2-CG 4.27Å; T134-E138 WeakPolarHBondContact O-CG 3.46Å; T134-E138 PolarHBondContact O-N 3.29Å; D135-E138 PolarHBondContact O-N 3.08Å; E138-I141 PolarHBondContact O-N 3.4Å; E138-A142 WeakPolarHBondContact O-CB 3.5Å; E138-A142 PolarHBondContact O-N 3.01Å; E138-Y183 HydrophobicContact CG-CE1 3.82Å |
| 139 | E | 98 | Very high | 97.1 | Very high | 133 Ų | 133 | 60.3 Ų | 60.3 | 62% | 0.621 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.4 | -50.1 | 173.1 | -175.6 | -178.6 | -178.6 | 0 | 0 | 111.8 | D135 I141 A142 E143 | D135-E139 WeakPolarHBondContact O-CB 3.28Å; D135-E139 PolarHBondContact O-N 3.02Å; E139-I141 PolarHBondContact O-N 3.31Å; E139-A142 PolarHBondContact O-N 2.93Å; E139-E143 PolarHBondContact O-N 3.26Å |
| 140 | L | 97.9 | Very high | 97 | Very high | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.2 | -38.1 | 178.9 | -71.3 | 175.7 | 0 | 0 | 0 | 112.7 | V103 M121 A124 Y128 K136 A137 E143 I144 | V103-L140 HydrophobicContact CG1-CD2 4.27Å; V103-L140 HydrophobicContact CG2-CD1 4.25Å; M121-L140 HydrophobicContact CB-CD2 4.38Å; M121-L140 HydrophobicContact CE-CD2 3.93Å; M121-L140 HydrophobicContact CG-CD2 4.19Å; A124-L140 HydrophobicContact CB-CD1 3.57Å; Y128-L140 HydrophobicContact CD2-CD1 3.94Å; Y128-L140 HydrophobicContact CE2-CD1 3.67Å; K136-L140 WeakPolarHBondContact O-CG 3.42Å; K136-L140 PolarHBondContact O-N 3.45Å; A137-L140 PolarHBondContact O-N 3.31Å; L140-E143 PolarHBondContact O-N 2.83Å; L140-I144 VanDerWaalsContact O-CG1 3.27Å; L140-I144 WeakPolarHBondContact O-CG1 3.33Å; L140-I144 PolarHBondContact O-N 3.47Å |
| 141 | I | 98.2 | Very high | 97 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65 | -44.1 | 176.8 | -70.3 | 164.8 | 0 | 0 | 0 | 110 | A125 A137 E138 E139 I144 L145 I175 C179 Y183 | A125-I141 HydrophobicContact CB-CD1 3.98Å; A125-I141 HydrophobicContact CB-CG1 3.72Å; A137-I141 WeakPolarHBondContact O-CB 3.42Å; A137-I141 WeakPolarHBondContact O-CD1 3.42Å; A137-I141 WeakPolarHBondContact O-CG1 3.34Å; A137-I141 PolarHBondContact O-N 3.24Å; E138-I141 PolarHBondContact O-N 3.4Å; E139-I141 PolarHBondContact O-N 3.31Å; I141-I144 PolarHBondContact O-N 3Å; I141-L145 HydrophobicContact CG2-CD1 3.96Å; I141-L145 HydrophobicContact CG2-CG 4.43Å; I141-L145 WeakPolarHBondContact O-CG 3.46Å; I141-L145 PolarHBondContact O-N 2.97Å; I141-I175 HydrophobicContact CD1-CG2 3.91Å; I141-I175 HydrophobicContact CG1-CD1 4.45Å; I141-I175 HydrophobicContact CG1-CG2 3.9Å; I141-I175 HydrophobicContact CG2-CG2 4.37Å; I141-C179 HydrophobicContact CD1-CB 4.41Å; I141-Y183 HydrophobicContact CD1-CD1 3.79Å; I141-Y183 HydrophobicContact CD1-CE1 4.4Å; I141-Y183 HydrophobicContact CD1-CG 3.9Å |
| 142 | A | 97.7 | Very high | 97 | Very high | 45 Ų | 45 | 55 Ų | 55 | 37% | 0.372 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E138 E139 I144 L145 D146 | E138-A142 WeakPolarHBondContact O-CB 3.5Å; E138-A142 PolarHBondContact O-N 3.01Å; E139-A142 PolarHBondContact O-N 2.93Å; A142-I144 VanDerWaalsContact C-N 3.33Å; A142-I144 PolarHBondContact O-N 3.37Å; A142-L145 PolarHBondContact O-N 3.32Å; A142-L145 VanDerWaalsContact O-N 3.13Å; A142-D146 PolarHBondContact O-N 3.18Å |
| 143 | E | 96.5 | Very high | 97 | Very high | 98 Ų | 98 | 60.4 Ų | 60.4 | 46% | 0.458 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 176.5 | -170.6 | -174.1 | 155.4 | 0 | 0 | 111.9 | M121 E139 L140 D146 L147 | M121-E143 HydrophobicContact CE-CB 3.73Å; M121-E143 HydrophobicContact CE-CG 3.65Å; M121-E143 WeakPolarHBondContact CE-OE1 3.4Å; M121-E143 VanDerWaalsContact CE-OE2 3.29Å; M121-E143 WeakPolarHBondContact CE-OE2 3.39Å; E139-E143 PolarHBondContact O-N 3.26Å; L140-E143 PolarHBondContact O-N 2.83Å; E143-D146 PolarHBondContact O-N 3.43Å; E143-L147 WeakPolarHBondContact O-CG 3.32Å |
| 144 | I | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.5 | -47 | 175.6 | -67.9 | 167.2 | 0 | 0 | 0 | 110.6 | T118 M121 A122 L140 I141 A142 D146 L147 Y168 L172 I175 | T118-I144 HydrophobicContact CG2-CG1 4.24Å; T118-I144 HydrophobicContact CG2-CG2 4.24Å; M121-I144 HydrophobicContact CB-CD1 3.68Å; M121-I144 HydrophobicContact CB-CG1 4.05Å; M121-I144 HydrophobicContact CE-CG1 3.87Å; M121-I144 HydrophobicContact SD-CG1 4.29Å; A122-I144 HydrophobicContact CB-CD1 4.14Å; L140-I144 VanDerWaalsContact O-CG1 3.27Å; L140-I144 WeakPolarHBondContact O-CG1 3.33Å; L140-I144 PolarHBondContact O-N 3.47Å; I141-I144 PolarHBondContact O-N 3Å; A142-I144 VanDerWaalsContact C-N 3.33Å; A142-I144 PolarHBondContact O-N 3.37Å; I144-D146 VanDerWaalsContact C-N 3.33Å; I144-D146 PolarHBondContact O-N 3.03Å; I144-L147 WeakPolarHBondContact O-CB 3.17Å; I144-L147 PolarHBondContact O-N 3.43Å; I144-Y168 HydrophobicContact CG2-CE2 3.97Å; I144-Y168 PolarHBondContact O-OH 3.48Å; I144-L172 HydrophobicContact CG2-CD2 3.87Å; I144-I175 HydrophobicContact CD1-CD1 3.64Å; I144-I175 HydrophobicContact CG2-CD1 4.18Å |
| 145 | L | 97.5 | Very high | 96.3 | Very high | 42 Ų | 42 | 63.9 Ų | 63.9 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.4 | -37 | -178.1 | -72.8 | 170.7 | 0 | 0 | 0 | 112.5 | I141 A142 L147 S148 L172 V184 A188 | I141-L145 HydrophobicContact CG2-CD1 3.96Å; I141-L145 HydrophobicContact CG2-CG 4.43Å; I141-L145 WeakPolarHBondContact O-CG 3.46Å; I141-L145 PolarHBondContact O-N 2.97Å; A142-L145 PolarHBondContact O-N 3.32Å; A142-L145 VanDerWaalsContact O-N 3.13Å; L145-L147 PolarHBondContact O-N 3.35Å; L145-S148 WeakPolarHBondContact O-CB 3.06Å; L145-S148 PolarHBondContact O-N 3.11Å; L145-L172 HydrophobicContact CD2-CD2 3.96Å; L145-V184 HydrophobicContact CD2-CG1 4.34Å; L145-A188 HydrophobicContact CD2-CB 4.24Å |
| 146 | D | 96 | Very high | 96 | Very high | 129 Ų | 129 | 62.3 Ų | 62.3 | 69% | 0.69 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.4 | -27.1 | 179.1 | -77.7 | -17.1 | 0 | 0 | 0 | 112.7 | A142 E143 I144 S148 | A142-D146 PolarHBondContact O-N 3.18Å; E143-D146 PolarHBondContact O-N 3.43Å; I144-D146 VanDerWaalsContact C-N 3.33Å; I144-D146 PolarHBondContact O-N 3.03Å; D146-S148 PolarHBondContact O-N 2.76Å |
| 147 | L | 95.6 | Very high | 95.9 | Very high | 50 Ų | 50 | 59 Ų | 59 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -16.8 | 174 | -60.1 | 171.4 | 0 | 0 | 0 | 113.1 | V111 T118 E143 I144 L145 N149 S150 V151 Y168 | V111-L147 HydrophobicContact CG1-CD1 4.13Å; T118-L147 HydrophobicContact CG2-CD1 3.64Å; E143-L147 WeakPolarHBondContact O-CG 3.32Å; I144-L147 WeakPolarHBondContact O-CB 3.17Å; I144-L147 PolarHBondContact O-N 3.43Å; L145-L147 PolarHBondContact O-N 3.35Å; L147-N149 PolarHBondContact O-N 3.43Å; L147-N149 VanDerWaalsContact O-N 3.12Å; L147-S150 PolarHBondContact O-N 3.3Å; L147-S150 VanDerWaalsContact O-N 3.09Å; L147-S150 PolarHBondContact O-OG 3.3Å; L147-V151 HydrophobicContact CB-CG2 4.26Å; L147-V151 WeakPolarHBondContact O-CB 3.49Å; L147-V151 VanDerWaalsContact O-CG2 3.24Å; L147-V151 WeakPolarHBondContact O-CG2 3.47Å; L147-V151 PolarHBondContact O-N 3.4Å; L147-Y168 HydrophobicContact CB-CE2 4.13Å |
| 148 | S | 95.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 60.5 Ų | 60.5 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -52.3 | -41.8 | -176.3 | 178.4 | 0 | 0 | 0 | 0 | 112.4 | L145 D146 C152 Y168 | L145-S148 WeakPolarHBondContact O-CB 3.06Å; L145-S148 PolarHBondContact O-N 3.11Å; D146-S148 PolarHBondContact O-N 2.76Å; S148-C152 VanDerWaalsContact O-CB 3.32Å; S148-C152 WeakPolarHBondContact O-CB 3.4Å; S148-C152 PolarHBondContact O-N 3.2Å; S148-C152 PolarHBondContact O-SG 3.31Å; S148-Y168 WeakPolarHBondContact CA-OH 3.43Å; S148-Y168 PolarHBondContact N-OH 2.98Å |
| 149 | N | 94.7 | Very high | 95.8 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.3 | -44.9 | -179.7 | -82.5 | -40.1 | 0 | 0 | 0 | 113 | L147 K153 K191 | L147-N149 PolarHBondContact O-N 3.43Å; L147-N149 VanDerWaalsContact O-N 3.12Å; N149-K153 WeakPolarHBondContact O-CB 3.48Å; N149-K153 WeakPolarHBondContact O-CG 3.48Å; N149-K153 PolarHBondContact O-N 2.75Å; N149-K191 PolarHBondContact OD1-NZ 3.22Å |
| 150 | S | 95 | Very high | 95.8 | Very high | 62 Ų | 62 | 50.6 Ų | 50.6 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70.1 | -41.8 | -179.7 | 63.1 | 0 | 0 | 0 | 0 | 110.8 | L147 C152 K153 S154 | L147-S150 PolarHBondContact O-N 3.3Å; L147-S150 VanDerWaalsContact O-N 3.09Å; L147-S150 PolarHBondContact O-OG 3.3Å; S150-C152 PolarHBondContact O-N 2.93Å; S150-K153 PolarHBondContact O-N 3.14Å; S150-S154 VanDerWaalsContact O-CB 3.23Å; S150-S154 WeakPolarHBondContact O-CB 3.27Å; S150-S154 PolarHBondContact O-N 3.18Å |
| 151 | V | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 175.6 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | V111 L147 K153 I157 R165 Y168 | V111-V151 HydrophobicContact CB-CG2 4.08Å; V111-V151 HydrophobicContact CG1-CG2 4.34Å; V111-V151 HydrophobicContact CG2-CG2 3.83Å; L147-V151 HydrophobicContact CB-CG2 4.26Å; L147-V151 WeakPolarHBondContact O-CB 3.49Å; L147-V151 VanDerWaalsContact O-CG2 3.24Å; L147-V151 WeakPolarHBondContact O-CG2 3.47Å; L147-V151 PolarHBondContact O-N 3.4Å; V151-K153 PolarHBondContact O-N 3.21Å; V151-I157 HydrophobicContact CB-CD1 4.48Å; V151-I157 HydrophobicContact CG2-CD1 4.37Å; V151-R165 HydrophobicContact CG1-CB 4.4Å; V151-R165 HydrophobicContact CG1-CG 3.85Å; V151-R165 PolarHBondContact O-NE 3.25Å; V151-Y168 HydrophobicContact CB-CD1 4.23Å; V151-Y168 HydrophobicContact CB-CE1 4.37Å; V151-Y168 HydrophobicContact CG1-CD1 3.69Å; V151-Y168 HydrophobicContact CG1-CE1 4.27Å; V151-Y168 HydrophobicContact CG1-CG 3.99Å; V151-Y168 HydrophobicContact CG2-CD1 4.21Å; V151-Y168 HydrophobicContact CG2-CD2 4.07Å; V151-Y168 HydrophobicContact CG2-CE1 4.36Å; V151-Y168 HydrophobicContact CG2-CE2 4.24Å; V151-Y168 HydrophobicContact CG2-CG 4.06Å |
| 152 | C | 96.7 | Very high | 95.8 | Very high | 24 Ų | 24 | 51.2 Ų | 51.2 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.2 | -29.4 | -177.8 | -66.5 | 0 | 0 | 0 | 0 | 113.5 | S148 S150 A195 | S148-C152 VanDerWaalsContact O-CB 3.32Å; S148-C152 WeakPolarHBondContact O-CB 3.4Å; S148-C152 PolarHBondContact O-N 3.2Å; S148-C152 PolarHBondContact O-SG 3.31Å; S150-C152 PolarHBondContact O-N 2.93Å; C152-A195 HydrophobicContact CB-CB 4.05Å |
| 153 | K | 94.7 | Very high | 95.8 | Very high | 172 Ų | 172 | 51.4 Ų | 51.4 | 75% | 0.748 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -100.3 | -27.8 | -171.8 | -68.6 | 179 | -179.1 | 179 | 0 | 114.3 | N149 S150 V151 S155 | N149-K153 WeakPolarHBondContact O-CB 3.48Å; N149-K153 WeakPolarHBondContact O-CG 3.48Å; N149-K153 PolarHBondContact O-N 2.75Å; S150-K153 PolarHBondContact O-N 3.14Å; V151-K153 PolarHBondContact O-N 3.21Å; K153-S155 PolarHBondContact O-N 2.97Å |
| 154 | S | 92.9 | Very high | 95.8 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | trans | -73.9 | 121 | -172.9 | -176.1 | 0 | 0 | 0 | 0 | 112 | S150 S156 I157 R165 | S150-S154 VanDerWaalsContact O-CB 3.23Å; S150-S154 WeakPolarHBondContact O-CB 3.27Å; S150-S154 PolarHBondContact O-N 3.18Å; S154-S156 PolarHBondContact O-N 3.45Å; S154-S156 PolarHBondContact OG-N 3.01Å; S154-S156 PolarHBondContact OG-OG 3.26Å; S154-I157 PolarHBondContact O-N 3.24Å; S154-R165 PolarHBondContact O-NH2 3.26Å | ||
| 155 | S | 89.3 | Confident | 95.9 | Very high | 124 Ų | 124 | 47.3 Ų | 47.3 | 87% | 0.867 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15.2 | 173.6 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | K153 I157 | K153-S155 PolarHBondContact O-N 2.97Å; S155-I157 VanDerWaalsContact C-N 3.33Å |
| 156 | S | 91.9 | Very high | 95.9 | Very high | 98 Ų | 98 | 45.3 Ų | 45.3 | 69% | 0.685 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -14.7 | -179.7 | 66.6 | 0 | 0 | 0 | 0 | 114.1 | S154 | S154-S156 PolarHBondContact O-N 3.45Å; S154-S156 PolarHBondContact OG-N 3.01Å; S154-S156 PolarHBondContact OG-OG 3.26Å |
| 157 | I | 95.2 | Very high | 96 | Very high | 27 Ų | 27 | 39.2 Ų | 39.2 | 14% | 0.138 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -89.4 | 123.1 | -179 | -63.3 | 170.2 | 0 | 0 | 0 | 108.4 | V111 V151 S154 S155 R165 | V111-I157 HydrophobicContact CG2-CD1 3.76Å; V111-I157 HydrophobicContact CG2-CG1 4.3Å; V111-I157 HydrophobicContact CG2-CG2 4.21Å; V151-I157 HydrophobicContact CB-CD1 4.48Å; V151-I157 HydrophobicContact CG2-CD1 4.37Å; S154-I157 PolarHBondContact O-N 3.24Å; S155-I157 VanDerWaalsContact C-N 3.33Å; I157-R165 HydrophobicContact CG2-CG 4.01Å; I157-R165 PolarHBondContact O-NH1 3.36Å; I157-R165 PolarHBondContact O-NH2 2.91Å |
| 158 | P | 97 | Very high | 96.2 | Very high | 30 Ų | 30 | 36.8 Ų | 36.8 | 20% | 0.195 | 21% | 0.214 | C | C | . | . | trans | -71 | 178.4 | 176.4 | 31.6 | -34.6 | 0 | 0 | 0 | 110.8 | E160 F163 G164 R165 | P158-E160 HydrophobicContact CB-CG 4.41Å; P158-F163 HydrophobicContact CG-CB 4.21Å; P158-G164 CarbonylContact O-C 3.24Å; P158-G164 WeakPolarHBondContact O-CA 3.07Å; P158-R165 PolarHBondContact O-N 2.97Å | ||
| 159 | D | 98.3 | Very high | 96.3 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.053 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -103.6 | -12.2 | -179.1 | -67.9 | -62 | 0 | 0 | 0 | 113.7 | R165 S166 S199 Y215 I232 | D159-R165 WeakPolarHBondContact OD1-CD 3.19Å; D159-R165 IonicContact OD1-CZ 2.69Å; D159-R165 IonicContact OD1-NE 3.53Å; D159-R165 IonicContact OD1-NH1 3.32Å; D159-R165 PolarHBondContact OD1-NH1 3.48Å; D159-R165 IonicContact OD2-NH1 3.59Å; D159-S166 WeakPolarHBondContact O-CB 3.29Å; D159-S166 PolarHBondContact O-N 3.17Å; D159-S166 VanDerWaalsContact O-N 3.15Å; D159-S166 PolarHBondContact O-OG 3.1Å; D159-S199 VanDerWaalsContact OD2-CB 3.28Å; D159-S199 WeakPolarHBondContact OD2-CB 3.47Å; D159-S199 PolarHBondContact OD2-OG 3.21Å; D159-Y215 HydrophobicContact CB-CD1 3.44Å; D159-Y215 VanDerWaalsContact CB-CD1 3.44Å; D159-Y215 HydrophobicContact CB-CE1 3.78Å; D159-Y215 HydrophobicContact CB-CG 4.27Å; D159-Y215 WeakPolarHBondContact OD2-CD1 3.35Å; D159-I232 HydrophobicContact CB-CD1 3.98Å |
| 160 | E | 98.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -72.3 | 176.5 | -175 | 59 | 68.6 | -116.1 | 0 | 0 | 114.6 | P158 L162 F163 G164 G167 W217 H227 I232 | P158-E160 HydrophobicContact CB-CG 4.41Å; E160-L162 WeakPolarHBondContact OE2-CB 3.31Å; E160-L162 PolarHBondContact OE2-N 3.46Å; E160-F163 VanDerWaalsContact OE1-CA 3.23Å; E160-F163 WeakPolarHBondContact OE1-CA 3.42Å; E160-F163 VanDerWaalsContact OE1-CB 3.24Å; E160-F163 WeakPolarHBondContact OE1-CB 3.4Å; E160-F163 PolarHBondContact OE1-N 3.41Å; E160-G164 CarbonylContact O-C 3.5Å; E160-G164 WeakPolarHBondContact O-CA 3.3Å; E160-G164 PolarHBondContact O-N 3.26Å; E160-G164 PolarHBondContact OE1-N 2.82Å; E160-G164 VanDerWaalsContact OE1-N 3.08Å; E160-G167 PolarHBondContact O-N 3.21Å; E160-W217 HydrophobicContact CG-CB 3.94Å; E160-W217 HydrophobicContact CG-CD2 4.47Å; E160-W217 HydrophobicContact CG-CG 3.78Å; E160-H227 VanDerWaalsContact CB-O 3.31Å; E160-H227 WeakPolarHBondContact CB-O 3.12Å; E160-H227 HydrophobicContact CG-CB 4.42Å; E160-H227 IonicContact OE2-CE1 3.57Å; E160-H227 IonicContact OE2-CG 2.9Å; E160-H227 IonicContact OE2-ND1 2.8Å; E160-H227 PolarHBondContact OE2-ND1 3.46Å; E160-I232 HydrophobicContact CB-CD1 4.46Å |
| 161 | L | 98.1 | Very high | 96.7 | Very high | 22 Ų | 22 | 34 Ų | 34 | 12% | 0.115 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -34.2 | -165.3 | -171 | 68.9 | 0 | 0 | 0 | 113.1 | L114 G167 A226 W284 | L114-L161 HydrophobicContact CD1-CD2 4.42Å; L114-L161 HydrophobicContact CD1-CG 4.45Å; L161-G167 WeakPolarHBondContact O-CA 3.21Å; L161-A226 WeakPolarHBondContact CB-O 3.23Å; L161-A226 PolarHBondContact N-O 3.43Å; L161-A226 VanDerWaalsContact N-O 3.14Å; L161-W284 HydrophobicContact CD2-CH2 3.95Å; L161-W284 HydrophobicContact CD2-CZ2 3.67Å |
| 162 | L | 97.7 | Very high | 96.8 | Very high | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -33.1 | -173.2 | -62.7 | -157.2 | 0 | 0 | 0 | 113 | Y66 S112 L114 C115 E160 A226 H227 W284 | Y66-L162 HydrophobicContact CD2-CD2 4.37Å; Y66-L162 HydrophobicContact CE2-CD1 4.21Å; Y66-L162 HydrophobicContact CE2-CD2 4.41Å; S112-L162 VanDerWaalsContact CB-O 3.25Å; S112-L162 WeakPolarHBondContact CB-O 3.33Å; S112-L162 PolarHBondContact OG-O 3.02Å; L114-L162 HydrophobicContact CB-CD2 4.06Å; L114-L162 HydrophobicContact CD1-CD2 3.34Å; L114-L162 HydrophobicContact CG-CD2 4.34Å; C115-L162 VanDerWaalsContact CB-O 3.27Å; C115-L162 WeakPolarHBondContact CB-O 3.43Å; E160-L162 WeakPolarHBondContact OE2-CB 3.31Å; E160-L162 PolarHBondContact OE2-N 3.46Å; L162-A226 HydrophobicContact CD1-CB 4.21Å; L162-A226 HydrophobicContact CD2-CB 4.41Å; L162-A226 HydrophobicContact CG-CB 4.1Å; L162-A226 PolarHBondContact N-O 3.12Å; L162-H227 VanDerWaalsContact CD1-CE1 3.4Å; L162-H227 WeakPolarHBondContact CD1-CE1 3.43Å; L162-W284 HydrophobicContact CD2-CH2 4.19Å; L162-W284 HydrophobicContact CD2-CZ3 4.45Å |
| 163 | F | 97.2 | Very high | 96.8 | Very high | 48 Ų | 48 | 34 Ų | 34 | 21% | 0.211 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.7 | -4.1 | -173.7 | -54.9 | -72.5 | 0 | 0 | 0 | 114.1 | K110 C115 P158 E160 W217 H227 | K110-F163 HydrophobicContact CD-CD1 3.84Å; K110-F163 HydrophobicContact CD-CE1 4.06Å; C115-F163 HydrophobicContact CB-CD1 3.63Å; C115-F163 HydrophobicContact CB-CE1 3.25Å; C115-F163 HydrophobicContact CB-CZ 4.02Å; P158-F163 HydrophobicContact CG-CB 4.21Å; E160-F163 VanDerWaalsContact OE1-CA 3.23Å; E160-F163 WeakPolarHBondContact OE1-CA 3.42Å; E160-F163 VanDerWaalsContact OE1-CB 3.24Å; E160-F163 WeakPolarHBondContact OE1-CB 3.4Å; E160-F163 PolarHBondContact OE1-N 3.41Å; F163-W217 AromaticContact CD2-CE2 3.91Å; F163-W217 AromaticContact CD2-CZ2 3.75Å; F163-W217 HydrophobicContact CD2-CZ2 3.75Å; F163-W217 AromaticContact CD2-NE1 3.72Å; F163-W217 HydrophobicContact CE2-CH2 4.47Å; F163-W217 AromaticContact CE2-CZ2 3.66Å; F163-W217 HydrophobicContact CE2-CZ2 3.66Å; F163-H227 AromaticContact CE2-CE1 3.91Å |
| 164 | G | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -108.5 | -172.9 | -170 | 0 | 0 | 0 | 0 | 0 | 115.9 | P158 E160 S166 G167 Y168 | P158-G164 CarbonylContact O-C 3.24Å; P158-G164 WeakPolarHBondContact O-CA 3.07Å; E160-G164 CarbonylContact O-C 3.5Å; E160-G164 WeakPolarHBondContact O-CA 3.3Å; E160-G164 PolarHBondContact O-N 3.26Å; E160-G164 PolarHBondContact OE1-N 2.82Å; E160-G164 VanDerWaalsContact OE1-N 3.08Å; G164-S166 VanDerWaalsContact C-N 3.25Å; G164-S166 PolarHBondContact O-N 3.3Å; G164-G167 WeakPolarHBondContact O-CA 3.24Å; G164-G167 PolarHBondContact O-N 3.39Å; G164-Y168 PolarHBondContact O-N 3.34Å; G164-Y168 VanDerWaalsContact O-N 3.1Å |
| 165 | R | 98.3 | Very high | 97.3 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 5% | 0.049 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.1 | -35 | -179.8 | -63.9 | -172.1 | -173.6 | 75.8 | 10.9 | 113.1 | V151 S154 I157 P158 D159 G167 Y168 L169 V192 I196 | V151-R165 HydrophobicContact CG1-CB 4.4Å; V151-R165 HydrophobicContact CG1-CG 3.85Å; V151-R165 PolarHBondContact O-NE 3.25Å; S154-R165 PolarHBondContact O-NH2 3.26Å; I157-R165 HydrophobicContact CG2-CG 4.01Å; I157-R165 PolarHBondContact O-NH1 3.36Å; I157-R165 PolarHBondContact O-NH2 2.91Å; P158-R165 PolarHBondContact O-N 2.97Å; D159-R165 WeakPolarHBondContact OD1-CD 3.19Å; D159-R165 IonicContact OD1-CZ 2.69Å; D159-R165 IonicContact OD1-NE 3.53Å; D159-R165 IonicContact OD1-NH1 3.32Å; D159-R165 PolarHBondContact OD1-NH1 3.48Å; D159-R165 IonicContact OD2-NH1 3.59Å; R165-G167 VanDerWaalsContact C-N 3.32Å; R165-Y168 PolarHBondContact O-N 3.13Å; R165-L169 VanDerWaalsContact O-CB 3.3Å; R165-L169 WeakPolarHBondContact O-CB 3.26Å; R165-L169 PolarHBondContact O-N 3.1Å; R165-V192 HydrophobicContact CB-CG1 4.21Å; R165-I196 HydrophobicContact CB-CD1 3.84Å; R165-I196 HydrophobicContact CB-CG1 3.51Å; R165-I196 HydrophobicContact CG-CG1 4.43Å |
| 166 | S | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.1 | -39.2 | 175.6 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | D159 G164 L169 Y170 | D159-S166 WeakPolarHBondContact O-CB 3.29Å; D159-S166 PolarHBondContact O-N 3.17Å; D159-S166 VanDerWaalsContact O-N 3.15Å; D159-S166 PolarHBondContact O-OG 3.1Å; G164-S166 VanDerWaalsContact C-N 3.25Å; G164-S166 PolarHBondContact O-N 3.3Å; S166-L169 PolarHBondContact O-N 2.94Å; S166-Y170 PolarHBondContact O-N 3.18Å |
| 167 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63 | -40.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F113 E160 L161 G164 R165 S171 | F113-G167 WeakPolarHBondContact CB-O 3.48Å; F113-G167 PolarHBondContact N-O 2.94Å; E160-G167 PolarHBondContact O-N 3.21Å; L161-G167 WeakPolarHBondContact O-CA 3.21Å; G164-G167 WeakPolarHBondContact O-CA 3.24Å; G164-G167 PolarHBondContact O-N 3.39Å; R165-G167 VanDerWaalsContact C-N 3.32Å; G167-S171 PolarHBondContact O-N 3.43Å; G167-S171 PolarHBondContact O-OG 3.12Å |
| 168 | Y | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.6 | -43.9 | 174.4 | 172.9 | -99.7 | 0 | 0 | 0 | 112.2 | T118 I144 L147 S148 V151 G164 R165 Y170 S171 L172 V192 | T118-Y168 HydrophobicContact CG2-CD2 3.88Å; T118-Y168 HydrophobicContact CG2-CE2 4.04Å; I144-Y168 HydrophobicContact CG2-CE2 3.97Å; I144-Y168 PolarHBondContact O-OH 3.48Å; L147-Y168 HydrophobicContact CB-CE2 4.13Å; S148-Y168 WeakPolarHBondContact CA-OH 3.43Å; S148-Y168 PolarHBondContact N-OH 2.98Å; V151-Y168 HydrophobicContact CB-CD1 4.23Å; V151-Y168 HydrophobicContact CB-CE1 4.37Å; V151-Y168 HydrophobicContact CG1-CD1 3.69Å; V151-Y168 HydrophobicContact CG1-CE1 4.27Å; V151-Y168 HydrophobicContact CG1-CG 3.99Å; V151-Y168 HydrophobicContact CG2-CD1 4.21Å; V151-Y168 HydrophobicContact CG2-CD2 4.07Å; V151-Y168 HydrophobicContact CG2-CE1 4.36Å; V151-Y168 HydrophobicContact CG2-CE2 4.24Å; V151-Y168 HydrophobicContact CG2-CG 4.06Å; G164-Y168 PolarHBondContact O-N 3.34Å; G164-Y168 VanDerWaalsContact O-N 3.1Å; R165-Y168 PolarHBondContact O-N 3.13Å; Y168-Y170 VanDerWaalsContact C-N 3.25Å; Y168-Y170 PolarHBondContact O-N 3.47Å; Y168-S171 WeakPolarHBondContact O-CA 3.41Å; Y168-S171 VanDerWaalsContact O-CB 3.27Å; Y168-S171 WeakPolarHBondContact O-CB 3.36Å; Y168-S171 PolarHBondContact O-N 2.96Å; Y168-L172 HydrophobicContact CD1-CD1 4.39Å; Y168-L172 HydrophobicContact CE1-CD1 3.74Å; Y168-L172 HydrophobicContact CE1-CG 4.13Å; Y168-L172 PolarHBondContact O-N 3.1Å; Y168-V192 HydrophobicContact CD1-CG1 4.17Å; Y168-V192 HydrophobicContact CD1-CG2 3.89Å; Y168-V192 HydrophobicContact CE1-CG2 3.65Å |
| 169 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.3 | -38.9 | 175.5 | 178.2 | 54.3 | 0 | 0 | 0 | 111.2 | R165 S166 S171 L172 M173 M189 V192 A193 I196 T235 | R165-L169 VanDerWaalsContact O-CB 3.3Å; R165-L169 WeakPolarHBondContact O-CB 3.26Å; R165-L169 PolarHBondContact O-N 3.1Å; S166-L169 PolarHBondContact O-N 2.94Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 3.36Å; L169-L172 WeakPolarHBondContact O-CB 3.47Å; L169-L172 PolarHBondContact O-N 3.32Å; L169-M173 HydrophobicContact CD1-CE 4.02Å; L169-M173 HydrophobicContact CD2-CE 4.05Å; L169-M173 HydrophobicContact CG-CE 3.72Å; L169-M173 WeakPolarHBondContact O-CG 3.24Å; L169-M173 PolarHBondContact O-N 3.12Å; L169-M189 HydrophobicContact CD1-CB 3.74Å; L169-M189 HydrophobicContact CD1-CG 3.89Å; L169-V192 HydrophobicContact CB-CG1 3.88Å; L169-V192 HydrophobicContact CD1-CB 4.31Å; L169-A193 HydrophobicContact CD2-CB 4.31Å; L169-I196 HydrophobicContact CD2-CD1 4.02Å; L169-T235 HydrophobicContact CB-CG2 4.35Å; L169-T235 HydrophobicContact CD2-CG2 3.99Å; L169-T235 HydrophobicContact CG-CG2 4.12Å |
| 170 | Y | 98.3 | Very high | 97.9 | Very high | 95 Ų | 95 | 23 Ų | 23 | 37% | 0.373 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -61.9 | -37.9 | 172.7 | -176.9 | -90.9 | 0 | 0 | 0 | 112.5 | F113 S166 Y168 L172 M173 F174 | F113-Y170 HydrophobicContact CB-CD1 3.58Å; F113-Y170 HydrophobicContact CB-CE1 4.3Å; F113-Y170 AromaticContact CD1-CD1 3.69Å; F113-Y170 HydrophobicContact CD1-CD1 3.69Å; F113-Y170 AromaticContact CD1-CE1 3.49Å; F113-Y170 HydrophobicContact CD1-CE1 3.49Å; F113-Y170 VanDerWaalsContact CD1-CE1 3.49Å; F113-Y170 AromaticContact CD2-CD1 3.95Å; F113-Y170 HydrophobicContact CD2-CD1 3.95Å; F113-Y170 HydrophobicContact CD2-CE1 4.11Å; F113-Y170 HydrophobicContact CE1-CD1 4.33Å; F113-Y170 AromaticContact CE1-CE1 3.7Å; F113-Y170 HydrophobicContact CE1-CE1 3.7Å; F113-Y170 HydrophobicContact CE2-CE1 4.29Å; F113-Y170 AromaticContact CG-CD1 3.46Å; F113-Y170 HydrophobicContact CG-CD1 3.46Å; F113-Y170 VanDerWaalsContact CG-CD1 3.46Å; F113-Y170 AromaticContact CG-CE1 3.7Å; F113-Y170 HydrophobicContact CG-CE1 3.7Å; F113-Y170 HydrophobicContact CZ-CE1 4.1Å; S166-Y170 PolarHBondContact O-N 3.18Å; Y168-Y170 VanDerWaalsContact C-N 3.25Å; Y168-Y170 PolarHBondContact O-N 3.47Å; Y170-L172 VanDerWaalsContact C-N 3.3Å; Y170-L172 PolarHBondContact O-N 3.02Å; Y170-M173 PolarHBondContact O-N 3.43Å; Y170-F174 HydrophobicContact CE1-CB 4.49Å; Y170-F174 WeakPolarHBondContact O-CB 3.34Å; Y170-F174 PolarHBondContact O-N 2.89Å |
| 171 | S | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.3 | -42.7 | 173.1 | -52.5 | 0 | 0 | 0 | 0 | 112 | F113 T118 G167 Y168 L169 F174 I175 | F113-S171 VanDerWaalsContact CA-OG 3.32Å; F113-S171 WeakPolarHBondContact CA-OG 3.47Å; F113-S171 WeakPolarHBondContact CB-OG 3.47Å; F113-S171 PolarHBondContact N-OG 3.43Å; T118-S171 PolarHBondContact OG1-OG 2.68Å; G167-S171 PolarHBondContact O-N 3.43Å; G167-S171 PolarHBondContact O-OG 3.12Å; Y168-S171 WeakPolarHBondContact O-CA 3.41Å; Y168-S171 VanDerWaalsContact O-CB 3.27Å; Y168-S171 WeakPolarHBondContact O-CB 3.36Å; Y168-S171 PolarHBondContact O-N 2.96Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 3.36Å; S171-F174 WeakPolarHBondContact O-CB 3.47Å; S171-F174 PolarHBondContact O-N 2.86Å; S171-I175 WeakPolarHBondContact O-CG1 3.27Å; S171-I175 PolarHBondContact O-N 3.17Å |
| 172 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 176.2 | -62.5 | -175.7 | 0 | 0 | 0 | 111.9 | I144 L145 Y168 L169 Y170 F174 I175 A176 V184 M189 V192 | I144-L172 HydrophobicContact CG2-CD2 3.87Å; L145-L172 HydrophobicContact CD2-CD2 3.96Å; Y168-L172 HydrophobicContact CD1-CD1 4.39Å; Y168-L172 HydrophobicContact CE1-CD1 3.74Å; Y168-L172 HydrophobicContact CE1-CG 4.13Å; Y168-L172 PolarHBondContact O-N 3.1Å; L169-L172 WeakPolarHBondContact O-CB 3.47Å; L169-L172 PolarHBondContact O-N 3.32Å; Y170-L172 VanDerWaalsContact C-N 3.3Å; Y170-L172 PolarHBondContact O-N 3.02Å; L172-F174 VanDerWaalsContact C-N 3.32Å; L172-F174 PolarHBondContact O-N 2.75Å; L172-I175 PolarHBondContact O-N 3.11Å; L172-A176 WeakPolarHBondContact O-CB 3.11Å; L172-A176 PolarHBondContact O-N 3.43Å; L172-V184 HydrophobicContact CB-CG1 3.94Å; L172-V184 HydrophobicContact CD2-CG1 4.25Å; L172-M189 HydrophobicContact CB-CG 3.77Å; L172-M189 HydrophobicContact CB-SD 4.34Å; L172-M189 HydrophobicContact CD1-CG 4.06Å; L172-V192 HydrophobicContact CD1-CG2 4.21Å |
| 173 | M | 97.9 | Very high | 97.6 | Very high | 25 Ų | 25 | 34.1 Ų | 34.1 | 12% | 0.123 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.7 | -37.3 | 175.9 | -65.4 | -175.6 | -169.7 | 0 | 0 | 112.4 | L169 Y170 A176 K177 M189 T235 R238 T239 | L169-M173 HydrophobicContact CD1-CE 4.02Å; L169-M173 HydrophobicContact CD2-CE 4.05Å; L169-M173 HydrophobicContact CG-CE 3.72Å; L169-M173 WeakPolarHBondContact O-CG 3.24Å; L169-M173 PolarHBondContact O-N 3.12Å; Y170-M173 PolarHBondContact O-N 3.43Å; M173-A176 PolarHBondContact O-N 3.33Å; M173-K177 WeakPolarHBondContact O-CB 3.36Å; M173-K177 PolarHBondContact O-N 2.64Å; M173-M189 HydrophobicContact CG-SD 3.9Å; M173-T235 HydrophobicContact CE-CG2 4.17Å; M173-T235 VanDerWaalsContact CE-O 3.31Å; M173-T235 WeakPolarHBondContact CE-O 3Å; M173-R238 HydrophobicContact CE-CB 4.26Å; M173-R238 HydrophobicContact SD-CB 4.08Å; M173-T239 VanDerWaalsContact CE-CA 3.47Å; M173-T239 HydrophobicContact CE-CG2 4.46Å; M173-T239 WeakPolarHBondContact CE-OG1 3.32Å |
| 174 | F | 98.3 | Very high | 97.5 | Very high | 17 Ų | 17 | 32 Ų | 32 | 8% | 0.075 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -48.8 | 176.6 | -178.9 | -85.4 | 0 | 0 | 0 | 110.7 | L74 F113 A122 V123 A126 Y170 S171 L172 K177 E178 | L74-F174 HydrophobicContact CD1-CE2 3.97Å; L74-F174 HydrophobicContact CD1-CZ 3.92Å; F113-F174 HydrophobicContact CD2-CB 4.37Å; F113-F174 HydrophobicContact CD2-CG 4.48Å; F113-F174 HydrophobicContact CE2-CB 3.91Å; F113-F174 AromaticContact CE2-CD1 3.86Å; F113-F174 HydrophobicContact CE2-CD1 3.86Å; F113-F174 AromaticContact CE2-CD2 3.79Å; F113-F174 HydrophobicContact CE2-CD2 3.79Å; F113-F174 HydrophobicContact CE2-CE1 4.32Å; F113-F174 HydrophobicContact CE2-CE2 4.26Å; F113-F174 AromaticContact CE2-CG 3.57Å; F113-F174 HydrophobicContact CE2-CG 3.57Å; F113-F174 HydrophobicContact CE2-CZ 4.5Å; F113-F174 HydrophobicContact CZ-CD1 4.38Å; F113-F174 AromaticContact CZ-CD2 3.66Å; F113-F174 HydrophobicContact CZ-CD2 3.66Å; F113-F174 AromaticContact CZ-CE2 3.83Å; F113-F174 HydrophobicContact CZ-CE2 3.83Å; F113-F174 AromaticContact CZ-CG 3.95Å; F113-F174 HydrophobicContact CZ-CG 3.95Å; F113-F174 HydrophobicContact CZ-CZ 4.26Å; A122-F174 HydrophobicContact CB-CD1 3.95Å; V123-F174 HydrophobicContact CG2-CE1 4.28Å; V123-F174 HydrophobicContact CG2-CZ 4.14Å; A126-F174 HydrophobicContact CB-CE1 4.11Å; Y170-F174 HydrophobicContact CE1-CB 4.49Å; Y170-F174 WeakPolarHBondContact O-CB 3.34Å; Y170-F174 PolarHBondContact O-N 2.89Å; S171-F174 WeakPolarHBondContact O-CB 3.47Å; S171-F174 PolarHBondContact O-N 2.86Å; L172-F174 VanDerWaalsContact C-N 3.32Å; L172-F174 PolarHBondContact O-N 2.75Å; F174-K177 PolarHBondContact O-N 2.73Å; F174-E178 HydrophobicContact CD1-CB 4.39Å; F174-E178 HydrophobicContact CD1-CG 4.19Å; F174-E178 HydrophobicContact CD2-CG 4.18Å; F174-E178 HydrophobicContact CE1-CB 4.11Å; F174-E178 HydrophobicContact CE1-CG 3.91Å; F174-E178 HydrophobicContact CE2-CG 3.89Å; F174-E178 HydrophobicContact CG-CG 4.33Å; F174-E178 HydrophobicContact CZ-CB 4.39Å; F174-E178 HydrophobicContact CZ-CG 3.76Å; F174-E178 VanDerWaalsContact O-CB 3.31Å; F174-E178 WeakPolarHBondContact O-CB 3.49Å; F174-E178 WeakPolarHBondContact O-CG 3.18Å; F174-E178 PolarHBondContact O-N 3.33Å |
| 175 | I | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.9 | -47.7 | 176.7 | -62.8 | 162 | 0 | 0 | 0 | 110.3 | A122 I141 I144 S171 L172 K177 E178 C179 G180 V184 | A122-I175 HydrophobicContact CB-CD1 4.01Å; A122-I175 HydrophobicContact CB-CG1 3.72Å; I141-I175 HydrophobicContact CD1-CG2 3.91Å; I141-I175 HydrophobicContact CG1-CD1 4.45Å; I141-I175 HydrophobicContact CG1-CG2 3.9Å; I141-I175 HydrophobicContact CG2-CG2 4.37Å; I144-I175 HydrophobicContact CD1-CD1 3.64Å; I144-I175 HydrophobicContact CG2-CD1 4.18Å; S171-I175 WeakPolarHBondContact O-CG1 3.27Å; S171-I175 PolarHBondContact O-N 3.17Å; L172-I175 PolarHBondContact O-N 3.11Å; I175-K177 PolarHBondContact O-N 3.43Å; I175-E178 PolarHBondContact O-N 3.35Å; I175-C179 HydrophobicContact CG2-CB 3.93Å; I175-C179 WeakPolarHBondContact O-CA 3.45Å; I175-C179 WeakPolarHBondContact O-CB 3.41Å; I175-C179 PolarHBondContact O-N 2.88Å; I175-G180 PolarHBondContact O-N 3.19Å; I175-V184 HydrophobicContact CB-CG2 3.76Å; I175-V184 HydrophobicContact CG2-CG2 3.51Å |
| 176 | A | 97.7 | Very high | 96.9 | Very high | 21 Ų | 21 | 36.3 Ų | 36.3 | 17% | 0.174 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.1 | -36.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | L172 M173 G180 A181 V184 M189 | L172-A176 WeakPolarHBondContact O-CB 3.11Å; L172-A176 PolarHBondContact O-N 3.43Å; M173-A176 PolarHBondContact O-N 3.33Å; A176-G180 CarbonylContact O-C 3.53Å; A176-G180 VanDerWaalsContact O-CA 3.28Å; A176-G180 WeakPolarHBondContact O-CA 3.33Å; A176-G180 PolarHBondContact O-N 3.42Å; A176-A181 PolarHBondContact O-N 2.78Å; A176-V184 HydrophobicContact CB-CB 4.25Å; A176-M189 HydrophobicContact CB-CE 4.28Å |
| 177 | K | 96.7 | Very high | 96.7 | Very high | 159 Ų | 159 | 43.9 Ų | 43.9 | 69% | 0.691 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -77.9 | -44.7 | 178.5 | 180 | -176.8 | 174.6 | -173.2 | 0 | 113.2 | M173 F174 I175 | M173-K177 WeakPolarHBondContact O-CB 3.36Å; M173-K177 PolarHBondContact O-N 2.64Å; F174-K177 PolarHBondContact O-N 2.73Å; I175-K177 PolarHBondContact O-N 3.43Å |
| 178 | E | 97.4 | Very high | 96.5 | Very high | 37 Ų | 37 | 44.7 Ų | 44.7 | 17% | 0.173 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -93 | -31.9 | -168.2 | -66.3 | -67.4 | 145.7 | 0 | 0 | 113 | Y77 K81 A126 F174 I175 | Y77-E178 PolarHBondContact OH-OE2 2.96Å; K81-E178 IonicContact NZ-OE1 2.86Å; K81-E178 PolarHBondContact NZ-OE1 3.12Å; K81-E178 IonicContact NZ-OE2 3.88Å; K81-E178 PolarHBondContact NZ-OE2 3.03Å; A126-E178 HydrophobicContact CB-CB 3.88Å; F174-E178 HydrophobicContact CD1-CB 4.39Å; F174-E178 HydrophobicContact CD1-CG 4.19Å; F174-E178 HydrophobicContact CD2-CG 4.18Å; F174-E178 HydrophobicContact CE1-CB 4.11Å; F174-E178 HydrophobicContact CE1-CG 3.91Å; F174-E178 HydrophobicContact CE2-CG 3.89Å; F174-E178 HydrophobicContact CG-CG 4.33Å; F174-E178 HydrophobicContact CZ-CB 4.39Å; F174-E178 HydrophobicContact CZ-CG 3.76Å; F174-E178 VanDerWaalsContact O-CB 3.31Å; F174-E178 WeakPolarHBondContact O-CB 3.49Å; F174-E178 WeakPolarHBondContact O-CG 3.18Å; F174-E178 PolarHBondContact O-N 3.33Å; I175-E178 PolarHBondContact O-N 3.35Å |
| 179 | C | 97.8 | Very high | 96.4 | Very high | 17 Ų | 17 | 45 Ų | 45 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -32.2 | 177.7 | -54.6 | 0 | 0 | 0 | 0 | 112 | L129 I141 I175 Y183 | L129-C179 HydrophobicContact CD1-CB 3.4Å; L129-C179 VanDerWaalsContact CD1-CB 3.4Å; I141-C179 HydrophobicContact CD1-CB 4.41Å; I175-C179 HydrophobicContact CG2-CB 3.93Å; I175-C179 WeakPolarHBondContact O-CA 3.45Å; I175-C179 WeakPolarHBondContact O-CB 3.41Å; I175-C179 PolarHBondContact O-N 2.88Å; C179-Y183 HydrophobicContact CB-CD2 3.67Å; C179-Y183 HydrophobicContact CB-CE2 4.17Å; C179-Y183 HydrophobicContact CB-CG 4.34Å; C179-Y183 WeakPolarHBondContact O-CD2 3.39Å; C179-Y183 VanDerWaalsContact O-CE2 3.32Å; C179-Y183 WeakPolarHBondContact O-CE2 3.28Å |
| 180 | G | 96.3 | Very high | 96.3 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 18% | 0.175 | 26% | 0.255 | C | S | . | . | trans | 122 | 149.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I175 A176 Q182 Y183 | I175-G180 PolarHBondContact O-N 3.19Å; A176-G180 CarbonylContact O-C 3.53Å; A176-G180 VanDerWaalsContact O-CA 3.28Å; A176-G180 WeakPolarHBondContact O-CA 3.33Å; A176-G180 PolarHBondContact O-N 3.42Å; G180-Q182 PolarHBondContact O-N 3.22Å; G180-Y183 PolarHBondContact O-N 2.92Å; G180-Y183 VanDerWaalsContact O-N 3.17Å | ||
| 181 | A | 94.1 | Very high | 96.2 | Very high | 76 Ų | 76 | 46.9 Ų | 46.9 | 63% | 0.628 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -63.7 | -23.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A176 Y183 V184 | A176-A181 PolarHBondContact O-N 2.78Å; A181-Y183 PolarHBondContact O-N 3.22Å; A181-V184 PolarHBondContact O-N 2.77Å |
| 182 | Q | 95.3 | Very high | 96.1 | Very high | 144 Ų | 144 | 46.9 Ų | 46.9 | 67% | 0.673 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -63.6 | -23.9 | 177.2 | 70.8 | -80 | 11.1 | 0 | 0 | 113.4 | G180 | G180-Q182 PolarHBondContact O-N 3.22Š|
| 183 | Y | 97 | Very high | 96.1 | Very high | 48 Ų | 48 | 46.9 Ų | 46.9 | 19% | 0.188 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -82.4 | -19 | -178.2 | -72.6 | -68.3 | 0 | 0 | 0 | 113.7 | L129 E138 I141 C179 G180 A181 | L129-Y183 HydrophobicContact CD1-CD2 4.46Å; L129-Y183 HydrophobicContact CD1-CE2 3.84Å; E138-Y183 HydrophobicContact CG-CE1 3.82Å; I141-Y183 HydrophobicContact CD1-CD1 3.79Å; I141-Y183 HydrophobicContact CD1-CE1 4.4Å; I141-Y183 HydrophobicContact CD1-CG 3.9Å; C179-Y183 HydrophobicContact CB-CD2 3.67Å; C179-Y183 HydrophobicContact CB-CE2 4.17Å; C179-Y183 HydrophobicContact CB-CG 4.34Å; C179-Y183 WeakPolarHBondContact O-CD2 3.39Å; C179-Y183 VanDerWaalsContact O-CE2 3.32Å; C179-Y183 WeakPolarHBondContact O-CE2 3.28Å; G180-Y183 PolarHBondContact O-N 2.92Å; G180-Y183 VanDerWaalsContact O-N 3.17Å; A181-Y183 PolarHBondContact O-N 3.22Å |
| 184 | V | 95.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -134 | 101.7 | -177.9 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | L145 L172 I175 A176 A181 G186 M189 | L145-V184 HydrophobicContact CD2-CG1 4.34Å; L172-V184 HydrophobicContact CB-CG1 3.94Å; L172-V184 HydrophobicContact CD2-CG1 4.25Å; I175-V184 HydrophobicContact CB-CG2 3.76Å; I175-V184 HydrophobicContact CG2-CG2 3.51Å; A176-V184 HydrophobicContact CB-CB 4.25Å; A181-V184 PolarHBondContact O-N 2.77Å; V184-G186 PolarHBondContact O-N 3.17Å; V184-M189 HydrophobicContact CG1-CE 3.91Å; V184-M189 HydrophobicContact CG1-CG 4.02Å; V184-M189 HydrophobicContact CG1-SD 4.31Å |
| 185 | P | 91.6 | Very high | 96 | Very high | 71 Ų | 71 | 50.9 Ų | 50.9 | 46% | 0.461 | 27% | 0.274 | S | S | . | . | trans | -55.9 | 136.5 | 176.7 | -24.9 | 34 | 0 | 0 | 0 | 111.5 | E187 A188 | P185-E187 PolarHBondContact O-N 3.03Å; P185-E187 VanDerWaalsContact O-N 3.15Å; P185-A188 VanDerWaalsContact O-CB 3.32Å; P185-A188 WeakPolarHBondContact O-CB 3.36Å; P185-A188 PolarHBondContact O-N 3.44Å | ||
| 186 | G | 92.1 | Very high | 96 | Very high | 32 Ų | 32 | 50.9 Ų | 50.9 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -54.1 | -35.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | V184 A188 M189 E190 | V184-G186 PolarHBondContact O-N 3.17Å; G186-A188 VanDerWaalsContact C-N 3.28Å; G186-A188 PolarHBondContact O-N 3.36Å; G186-M189 PolarHBondContact O-N 3.08Å; G186-E190 PolarHBondContact O-N 3.33Å |
| 187 | E | 92.8 | Very high | 96.1 | Very high | 158 Ų | 158 | 50.5 Ų | 50.5 | 74% | 0.738 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.2 | -34.2 | 176 | -62.4 | -178.9 | -179 | 0 | 0 | 113.2 | P185 E190 K191 | P185-E187 PolarHBondContact O-N 3.03Å; P185-E187 VanDerWaalsContact O-N 3.15Å; E187-E190 PolarHBondContact O-N 2.98Å; E187-K191 VanDerWaalsContact O-CB 3.24Å; E187-K191 WeakPolarHBondContact O-CB 3.4Å; E187-K191 PolarHBondContact O-N 3.26Å |
| 188 | A | 94.9 | Very high | 96.1 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | L145 P185 G186 V192 | L145-A188 HydrophobicContact CD2-CB 4.24Å; P185-A188 VanDerWaalsContact O-CB 3.32Å; P185-A188 WeakPolarHBondContact O-CB 3.36Å; P185-A188 PolarHBondContact O-N 3.44Å; G186-A188 VanDerWaalsContact C-N 3.28Å; G186-A188 PolarHBondContact O-N 3.36Å; A188-V192 WeakPolarHBondContact O-CG2 3.25Å; A188-V192 PolarHBondContact O-N 3.1Å |
| 189 | M | 96.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 3% | 0.034 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 174.8 | -70.9 | -177.5 | -85.1 | 0 | 0 | 111.6 | L169 L172 M173 A176 V184 G186 K191 V192 A193 T239 P240 | L169-M189 HydrophobicContact CD1-CB 3.74Å; L169-M189 HydrophobicContact CD1-CG 3.89Å; L172-M189 HydrophobicContact CB-CG 3.77Å; L172-M189 HydrophobicContact CB-SD 4.34Å; L172-M189 HydrophobicContact CD1-CG 4.06Å; M173-M189 HydrophobicContact CG-SD 3.9Å; A176-M189 HydrophobicContact CB-CE 4.28Å; V184-M189 HydrophobicContact CG1-CE 3.91Å; V184-M189 HydrophobicContact CG1-CG 4.02Å; V184-M189 HydrophobicContact CG1-SD 4.31Å; G186-M189 PolarHBondContact O-N 3.08Å; M189-K191 VanDerWaalsContact C-N 3.29Å; M189-K191 PolarHBondContact O-N 3.43Å; M189-V192 PolarHBondContact O-N 3.31Å; M189-A193 PolarHBondContact O-N 2.8Å; M189-T239 HydrophobicContact CB-CG2 4.19Å; M189-P240 HydrophobicContact CE-CG 3.72Å; M189-P240 HydrophobicContact SD-CG 4.05Å |
| 190 | E | 95.4 | Very high | 96.2 | Very high | 52 Ų | 52 | 49.8 Ų | 49.8 | 24% | 0.243 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 178.5 | -170.7 | -176.5 | 162.5 | 0 | 0 | 111.9 | G186 E187 V192 A193 K194 | G186-E190 PolarHBondContact O-N 3.33Å; E187-E190 PolarHBondContact O-N 2.98Å; E190-V192 PolarHBondContact O-N 3.2Å; E190-A193 PolarHBondContact O-N 3.1Å; E190-K194 HydrophobicContact CG-CD 4.34Å; E190-K194 WeakPolarHBondContact O-CB 3.14Å; E190-K194 WeakPolarHBondContact O-CG 3.26Å; E190-K194 PolarHBondContact O-N 2.96Å; E190-K194 WeakPolarHBondContact OE1-CE 3.42Å; E190-K194 IonicContact OE1-NZ 3.63Å; E190-K194 PolarHBondContact OE1-NZ 2.89Å |
| 191 | K | 96.1 | Very high | 96.3 | Very high | 82 Ų | 82 | 53.1 Ų | 53.1 | 36% | 0.357 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 175.5 | -178.7 | -177 | 175.6 | -176.9 | 0 | 112.3 | N149 E187 M189 K194 A195 | N149-K191 PolarHBondContact OD1-NZ 3.22Å; E187-K191 VanDerWaalsContact O-CB 3.24Å; E187-K191 WeakPolarHBondContact O-CB 3.4Å; E187-K191 PolarHBondContact O-N 3.26Å; M189-K191 VanDerWaalsContact C-N 3.29Å; M189-K191 PolarHBondContact O-N 3.43Å; K191-K194 PolarHBondContact O-N 2.73Å; K191-A195 PolarHBondContact O-N 3.23Å; K191-A195 VanDerWaalsContact O-N 3.11Å |
| 192 | V | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.6 | -43.7 | 176.6 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | R165 Y168 L169 L172 A188 M189 E190 K194 A195 I196 | R165-V192 HydrophobicContact CB-CG1 4.21Å; Y168-V192 HydrophobicContact CD1-CG1 4.17Å; Y168-V192 HydrophobicContact CD1-CG2 3.89Å; Y168-V192 HydrophobicContact CE1-CG2 3.65Å; L169-V192 HydrophobicContact CB-CG1 3.88Å; L169-V192 HydrophobicContact CD1-CB 4.31Å; L172-V192 HydrophobicContact CD1-CG2 4.21Å; A188-V192 WeakPolarHBondContact O-CG2 3.25Å; A188-V192 PolarHBondContact O-N 3.1Å; M189-V192 PolarHBondContact O-N 3.31Å; E190-V192 PolarHBondContact O-N 3.2Å; V192-K194 VanDerWaalsContact C-N 3.33Å; V192-K194 PolarHBondContact O-N 3.24Å; V192-A195 WeakPolarHBondContact O-CB 3.46Å; V192-A195 PolarHBondContact O-N 2.71Å; V192-A195 VanDerWaalsContact O-N 3.09Å; V192-I196 HydrophobicContact CG1-CD1 4.12Å; V192-I196 WeakPolarHBondContact O-CG1 3.45Å; V192-I196 PolarHBondContact O-N 3.01Å |
| 193 | A | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.4 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | L169 M189 E190 A195 I196 I197 L236 T239 M248 | L169-A193 HydrophobicContact CD2-CB 4.31Å; M189-A193 PolarHBondContact O-N 2.8Å; E190-A193 PolarHBondContact O-N 3.1Å; A193-A195 VanDerWaalsContact C-N 3.33Å; A193-A195 PolarHBondContact O-N 3.19Å; A193-I196 PolarHBondContact O-N 3Å; A193-I197 WeakPolarHBondContact O-CG1 3.41Å; A193-I197 PolarHBondContact O-N 2.91Å; A193-L236 HydrophobicContact CB-CD2 3.88Å; A193-T239 HydrophobicContact CB-CG2 4.08Å; A193-M248 HydrophobicContact CB-CE 4.26Å |
| 194 | K | 97 | Very high | 96.6 | Very high | 109 Ų | 109 | 49.3 Ų | 49.3 | 47% | 0.474 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 173.8 | -75.9 | 173.2 | -179.7 | 165.4 | 0 | 112.5 | E190 K191 V192 I197 K198 M248 | E190-K194 HydrophobicContact CG-CD 4.34Å; E190-K194 WeakPolarHBondContact O-CB 3.14Å; E190-K194 WeakPolarHBondContact O-CG 3.26Å; E190-K194 PolarHBondContact O-N 2.96Å; E190-K194 WeakPolarHBondContact OE1-CE 3.42Å; E190-K194 IonicContact OE1-NZ 3.63Å; E190-K194 PolarHBondContact OE1-NZ 2.89Å; K191-K194 PolarHBondContact O-N 2.73Å; V192-K194 VanDerWaalsContact C-N 3.33Å; V192-K194 PolarHBondContact O-N 3.24Å; K194-I197 PolarHBondContact O-N 3.49Å; K194-K198 WeakPolarHBondContact O-CB 3.32Å; K194-K198 PolarHBondContact O-N 3.13Å; K194-M248 HydrophobicContact CG-CE 4.47Å |
| 195 | A | 97.8 | Very high | 96.7 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 13% | 0.132 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.5 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C152 K191 V192 A193 K198 S199 | C152-A195 HydrophobicContact CB-CB 4.05Å; K191-A195 PolarHBondContact O-N 3.23Å; K191-A195 VanDerWaalsContact O-N 3.11Å; V192-A195 WeakPolarHBondContact O-CB 3.46Å; V192-A195 PolarHBondContact O-N 2.71Å; V192-A195 VanDerWaalsContact O-N 3.09Å; A193-A195 VanDerWaalsContact C-N 3.33Å; A193-A195 PolarHBondContact O-N 3.19Å; A195-K198 PolarHBondContact O-N 3.15Å; A195-S199 WeakPolarHBondContact O-CB 3.1Å; A195-S199 PolarHBondContact O-N 3.09Å |
| 196 | I | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 175.4 | -66.2 | 164.6 | 0 | 0 | 0 | 111 | R165 L169 V192 A193 S199 G200 Y215 I232 L236 | R165-I196 HydrophobicContact CB-CD1 3.84Å; R165-I196 HydrophobicContact CB-CG1 3.51Å; R165-I196 HydrophobicContact CG-CG1 4.43Å; L169-I196 HydrophobicContact CD2-CD1 4.02Å; V192-I196 HydrophobicContact CG1-CD1 4.12Å; V192-I196 WeakPolarHBondContact O-CG1 3.45Å; V192-I196 PolarHBondContact O-N 3.01Å; A193-I196 PolarHBondContact O-N 3Å; I196-S199 PolarHBondContact O-N 2.9Å; I196-G200 PolarHBondContact O-N 2.96Å; I196-Y215 HydrophobicContact CG2-CE1 3.99Å; I196-Y215 VanDerWaalsContact O-CE1 3.28Å; I196-Y215 WeakPolarHBondContact O-CE1 3.05Å; I196-Y215 PolarHBondContact O-OH 3.07Å; I196-I232 HydrophobicContact CG2-CG2 3.66Å; I196-L236 HydrophobicContact CB-CD2 4.22Å; I196-L236 HydrophobicContact CD1-CD2 4.43Å; I196-L236 HydrophobicContact CG2-CD1 4.01Å; I196-L236 HydrophobicContact CG2-CD2 4.06Å; I196-L236 HydrophobicContact CG2-CG 4.27Å |
| 197 | I | 98.2 | Very high | 97.1 | Very high | 13 Ų | 13 | 55.1 Ų | 55.1 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 178 | -68.5 | -67.4 | 0 | 0 | 0 | 111 | A193 K194 S199 G200 Q201 L213 L236 M248 L251 V252 | A193-I197 WeakPolarHBondContact O-CG1 3.41Å; A193-I197 PolarHBondContact O-N 2.91Å; K194-I197 PolarHBondContact O-N 3.49Å; I197-S199 VanDerWaalsContact C-N 3.34Å; I197-S199 PolarHBondContact O-N 3.47Å; I197-G200 PolarHBondContact O-N 3.35Å; I197-G200 VanDerWaalsContact O-N 3.15Å; I197-Q201 HydrophobicContact CG2-CG 4.37Å; I197-Q201 WeakPolarHBondContact O-CG 3.38Å; I197-Q201 PolarHBondContact O-N 2.91Å; I197-L213 HydrophobicContact CD1-CD1 3.71Å; I197-L213 HydrophobicContact CD1-CD2 4.36Å; I197-L213 HydrophobicContact CG2-CD2 4.42Å; I197-L236 HydrophobicContact CD1-CD1 3.78Å; I197-L236 HydrophobicContact CD1-CD2 4.4Å; I197-L236 HydrophobicContact CG1-CD2 4.33Å; I197-M248 HydrophobicContact CD1-CG 3.76Å; I197-M248 HydrophobicContact CD1-SD 4.44Å; I197-M248 HydrophobicContact CG1-CE 4.05Å; I197-M248 HydrophobicContact CG1-CG 3.86Å; I197-M248 HydrophobicContact CG1-SD 4.12Å; I197-L251 HydrophobicContact CG2-CD1 3.91Å; I197-V252 HydrophobicContact CD1-CG2 4.13Å |
| 198 | K | 97.6 | Very high | 97.2 | Very high | 158 Ų | 158 | 58.7 Ų | 58.7 | 69% | 0.687 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.9 | -42.9 | 179.8 | -174.9 | 179.8 | 179.7 | -179 | 0 | 112 | K194 A195 G200 H202 | K194-K198 WeakPolarHBondContact O-CB 3.32Å; K194-K198 PolarHBondContact O-N 3.13Å; A195-K198 PolarHBondContact O-N 3.15Å; K198-G200 VanDerWaalsContact C-N 3.34Å; K198-H202 WeakPolarHBondContact O-CB 3.25Å; K198-H202 PolarHBondContact O-N 3.17Å |
| 199 | S | 97.9 | Very high | 97.3 | Very high | 41 Ų | 41 | 59.7 Ų | 59.7 | 29% | 0.287 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 174.3 | -175.3 | 0 | 0 | 0 | 0 | 110.8 | D159 A195 I196 I197 Q201 H202 L203 | D159-S199 VanDerWaalsContact OD2-CB 3.28Å; D159-S199 WeakPolarHBondContact OD2-CB 3.47Å; D159-S199 PolarHBondContact OD2-OG 3.21Å; A195-S199 WeakPolarHBondContact O-CB 3.1Å; A195-S199 PolarHBondContact O-N 3.09Å; I196-S199 PolarHBondContact O-N 2.9Å; I197-S199 VanDerWaalsContact C-N 3.34Å; I197-S199 PolarHBondContact O-N 3.47Å; S199-Q201 PolarHBondContact O-N 2.96Å; S199-H202 PolarHBondContact O-N 3.37Å; S199-L203 PolarHBondContact O-N 3.41Å; S199-L203 VanDerWaalsContact O-N 3.1Å |
| 200 | G | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | I196 I197 K198 A204 M214 | I196-G200 PolarHBondContact O-N 2.96Å; I197-G200 PolarHBondContact O-N 3.35Å; I197-G200 VanDerWaalsContact O-N 3.15Å; K198-G200 VanDerWaalsContact C-N 3.34Å; G200-A204 VanDerWaalsContact O-CB 3.28Å; G200-A204 WeakPolarHBondContact O-CB 2.95Å; G200-A204 PolarHBondContact O-N 2.96Å; G200-M214 VanDerWaalsContact CA-O 3.31Å; G200-M214 WeakPolarHBondContact CA-O 3.49Å; G200-M214 PolarHBondContact O-N 3.36Å; G200-M214 VanDerWaalsContact O-N 3.09Å |
| 201 | Q | 98.4 | Very high | 97.2 | Very high | 86 Ų | 86 | 67.9 Ų | 67.9 | 40% | 0.402 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 176.3 | -69.7 | -178.8 | -62.4 | 0 | 0 | 111.8 | I197 S199 A204 S205 L213 L251 | I197-Q201 HydrophobicContact CG2-CG 4.37Å; I197-Q201 WeakPolarHBondContact O-CG 3.38Å; I197-Q201 PolarHBondContact O-N 2.91Å; S199-Q201 PolarHBondContact O-N 2.96Å; Q201-A204 PolarHBondContact O-N 3.14Å; Q201-S205 WeakPolarHBondContact O-CB 3.26Å; Q201-S205 PolarHBondContact O-N 2.82Å; Q201-L213 HydrophobicContact CB-CD2 4.5Å; Q201-L213 HydrophobicContact CG-CD2 3.57Å; Q201-L251 HydrophobicContact CG-CD1 4.43Å |
| 202 | H | 97.6 | Very high | 97.3 | Very high | 144 Ų | 144 | 65.9 Ų | 65.9 | 67% | 0.667 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.7 | -48 | 179.5 | -179.3 | 72 | 0 | 0 | 0 | 111.5 | K198 S199 S205 S206 | K198-H202 WeakPolarHBondContact O-CB 3.25Å; K198-H202 PolarHBondContact O-N 3.17Å; S199-H202 PolarHBondContact O-N 3.37Å; H202-S205 PolarHBondContact O-N 2.63Å; H202-S206 PolarHBondContact O-N 3.48Å |
| 203 | L | 97.3 | Very high | 97.4 | Very high | 39 Ų | 39 | 65.9 Ų | 65.9 | 20% | 0.204 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 177.4 | -177.8 | 58.9 | 0 | 0 | 0 | 112 | S199 S205 S206 L207 M214 A216 Y221 | S199-L203 PolarHBondContact O-N 3.41Å; S199-L203 VanDerWaalsContact O-N 3.1Å; L203-S205 VanDerWaalsContact C-N 3.31Å; L203-S205 PolarHBondContact O-N 2.92Å; L203-S206 PolarHBondContact O-N 3.21Å; L203-S206 PolarHBondContact O-OG 2.91Å; L203-L207 HydrophobicContact CD1-CD1 3.82Å; L203-L207 HydrophobicContact CD1-CG 3.99Å; L203-L207 HydrophobicContact CG-CD1 3.87Å; L203-L207 HydrophobicContact CG-CG 4.43Å; L203-L207 WeakPolarHBondContact O-CB 3.44Å; L203-L207 VanDerWaalsContact O-CG 3.26Å; L203-L207 WeakPolarHBondContact O-CG 3.35Å; L203-L207 PolarHBondContact O-N 3.43Å; L203-M214 HydrophobicContact CB-CB 4.46Å; L203-M214 HydrophobicContact CD2-CB 4.39Å; L203-M214 HydrophobicContact CG-CB 4.14Å; L203-A216 HydrophobicContact CD2-CB 3.87Å; L203-Y221 HydrophobicContact CD2-CE1 4.29Å |
| 204 | A | 97.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 66 Ų | 66 | 5% | 0.05 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.3 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | G200 Q201 L207 R208 S209 C211 P212 M214 | G200-A204 VanDerWaalsContact O-CB 3.28Å; G200-A204 WeakPolarHBondContact O-CB 2.95Å; G200-A204 PolarHBondContact O-N 2.96Å; Q201-A204 PolarHBondContact O-N 3.14Å; A204-L207 PolarHBondContact O-N 3.01Å; A204-R208 PolarHBondContact O-N 3.18Å; A204-R208 VanDerWaalsContact O-N 3.1Å; A204-S209 PolarHBondContact O-N 3.35Å; A204-C211 WeakPolarHBondContact CB-O 3.5Å; A204-P212 VanDerWaalsContact CB-O 3.24Å; A204-P212 WeakPolarHBondContact CB-O 3.48Å; A204-M214 HydrophobicContact CB-CB 4.06Å; A204-M214 HydrophobicContact CB-CG 3.97Å |
| 205 | S | 97.8 | Very high | 97.4 | Very high | 91 Ų | 91 | 61.1 Ų | 61.1 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.1 | -42.9 | 177.2 | -175.4 | 0 | 0 | 0 | 0 | 112.4 | Q201 H202 L203 L207 R208 | Q201-S205 WeakPolarHBondContact O-CB 3.26Å; Q201-S205 PolarHBondContact O-N 2.82Å; H202-S205 PolarHBondContact O-N 2.63Å; L203-S205 VanDerWaalsContact C-N 3.31Å; L203-S205 PolarHBondContact O-N 2.92Å; S205-L207 VanDerWaalsContact C-N 3.27Å; S205-L207 PolarHBondContact O-N 3.07Å; S205-R208 PolarHBondContact O-N 3Å |
| 206 | S | 96.8 | Very high | 97.4 | Very high | 77 Ų | 77 | 62.4 Ų | 62.4 | 54% | 0.538 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.3 | -32.3 | -179.7 | 72.1 | 0 | 0 | 0 | 0 | 112.2 | H202 L203 | H202-S206 PolarHBondContact O-N 3.48Å; L203-S206 PolarHBondContact O-N 3.21Å; L203-S206 PolarHBondContact O-OG 2.91Å |
| 207 | L | 95.8 | Very high | 97.2 | Very high | 61 Ų | 61 | 64.4 Ų | 64.4 | 32% | 0.319 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -8.2 | 176 | -63.7 | 173.8 | 0 | 0 | 0 | 114.1 | L203 A204 S205 S209 M214 Y221 | L203-L207 HydrophobicContact CD1-CD1 3.82Å; L203-L207 HydrophobicContact CD1-CG 3.99Å; L203-L207 HydrophobicContact CG-CD1 3.87Å; L203-L207 HydrophobicContact CG-CG 4.43Å; L203-L207 WeakPolarHBondContact O-CB 3.44Å; L203-L207 VanDerWaalsContact O-CG 3.26Å; L203-L207 WeakPolarHBondContact O-CG 3.35Å; L203-L207 PolarHBondContact O-N 3.43Å; A204-L207 PolarHBondContact O-N 3.01Å; S205-L207 VanDerWaalsContact C-N 3.27Å; S205-L207 PolarHBondContact O-N 3.07Å; L207-S209 PolarHBondContact O-N 3.39Å; L207-M214 HydrophobicContact CD1-CB 4.38Å; L207-Y221 HydrophobicContact CD1-CD1 4.22Å; L207-Y221 HydrophobicContact CD1-CE1 3.41Å; L207-Y221 VanDerWaalsContact CD1-CE1 3.41Å; L207-Y221 WeakPolarHBondContact CD2-OH 3.22Å |
| 208 | R | 95.8 | Very high | 96.9 | Very high | 233 Ų | 233 | 70.2 Ų | 70.2 | 88% | 0.879 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 42.2 | -166.9 | -55.5 | 179.8 | -176.8 | 176.7 | 0.2 | 111.2 | A204 S205 | A204-R208 PolarHBondContact O-N 3.18Å; A204-R208 VanDerWaalsContact O-N 3.1Å; S205-R208 PolarHBondContact O-N 3Å |
| 209 | S | 95.5 | Very high | 96.5 | Very high | 37 Ų | 37 | 70.6 Ų | 70.6 | 26% | 0.259 | 36% | 0.355 | S | S | . | . | trans | -66.5 | 147.8 | -176 | -172.5 | 0 | 0 | 0 | 0 | 111.2 | A204 L207 C211 M214 | A204-S209 PolarHBondContact O-N 3.35Å; L207-S209 PolarHBondContact O-N 3.39Å; S209-C211 VanDerWaalsContact C-N 3.27Å; S209-C211 WeakPolarHBondContact CB-O 3.4Å; S209-C211 PolarHBondContact OG-N 2.99Å; S209-C211 VanDerWaalsContact OG-N 3.09Å; S209-C211 PolarHBondContact OG-O 3.41Å; S209-M214 WeakPolarHBondContact OG-CG 3.29Å | ||
| 210 | R | 95 | Very high | 96.4 | Very high | 232 Ų | 232 | 70.1 Ų | 70.1 | 88% | 0.875 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -72.2 | -25.9 | 166.7 | -65.2 | -176.3 | -179 | -179.5 | -0.5 | 111.9 | Y258 | R210-Y258 HydrophobicContact CB-CD2 4.28Å; R210-Y258 HydrophobicContact CB-CE2 4.17Å |
| 211 | C | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -83.2 | 125.6 | 174.9 | -169 | 0 | 0 | 0 | 0 | 109.5 | A204 S209 L213 M214 S255 Y258 | A204-C211 WeakPolarHBondContact CB-O 3.5Å; S209-C211 VanDerWaalsContact C-N 3.27Å; S209-C211 WeakPolarHBondContact CB-O 3.4Å; S209-C211 PolarHBondContact OG-N 2.99Å; S209-C211 VanDerWaalsContact OG-N 3.09Å; S209-C211 PolarHBondContact OG-O 3.41Å; C211-L213 VanDerWaalsContact C-N 3.25Å; C211-L213 PolarHBondContact O-N 3.5Å; C211-L213 PolarHBondContact SG-O 3.19Å; C211-M214 HydrophobicContact CB-CG 4.29Å; C211-M214 HydrophobicContact CB-SD 3.62Å; C211-S255 VanDerWaalsContact SG-CB 3.58Å; C211-Y258 HydrophobicContact CB-CD1 3.38Å; C211-Y258 HydrophobicContact CB-CD2 4.23Å; C211-Y258 HydrophobicContact CB-CE1 3.72Å; C211-Y258 HydrophobicContact CB-CG 3.65Å; C211-Y258 VanDerWaalsContact SG-CD1 3.58Å |
| 212 | P | 98 | Very high | 96.2 | Very high | 39 Ų | 39 | 70.1 Ų | 70.1 | 25% | 0.253 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -70.4 | -19.8 | -174.5 | 24 | -29.4 | 0 | 0 | 0 | 113.9 | A204 L251 S255 | A204-P212 VanDerWaalsContact CB-O 3.24Å; A204-P212 WeakPolarHBondContact CB-O 3.48Å; P212-L251 HydrophobicContact CB-CD2 4.06Å; P212-S255 WeakPolarHBondContact CG-OG 3.38Å |
| 213 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -123.4 | 124.8 | 172.5 | -58.8 | 173.2 | 0 | 0 | 0 | 110 | I197 Q201 C211 Y215 F233 L251 V252 S255 | I197-L213 HydrophobicContact CD1-CD1 3.71Å; I197-L213 HydrophobicContact CD1-CD2 4.36Å; I197-L213 HydrophobicContact CG2-CD2 4.42Å; Q201-L213 HydrophobicContact CB-CD2 4.5Å; Q201-L213 HydrophobicContact CG-CD2 3.57Å; C211-L213 VanDerWaalsContact C-N 3.25Å; C211-L213 PolarHBondContact O-N 3.5Å; C211-L213 PolarHBondContact SG-O 3.19Å; L213-Y215 HydrophobicContact CB-CE2 3.98Å; L213-F233 HydrophobicContact CB-CE1 3.92Å; L213-F233 HydrophobicContact CB-CZ 4.1Å; L213-F233 HydrophobicContact CD1-CE1 3.85Å; L213-L251 HydrophobicContact CD1-CB 4.09Å; L213-L251 HydrophobicContact CG-CB 4.32Å; L213-V252 HydrophobicContact CD1-CG2 4.01Å; L213-S255 WeakPolarHBondContact CB-OG 3.5Å; L213-S255 PolarHBondContact N-OG 3.43Å |
| 214 | M | 98.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | trans | -129 | 144.1 | 177.3 | -73.5 | -57.1 | -54.9 | 0 | 0 | 110.6 | G200 L203 A204 L207 S209 C211 Y221 L229 I273 | G200-M214 VanDerWaalsContact CA-O 3.31Å; G200-M214 WeakPolarHBondContact CA-O 3.49Å; G200-M214 PolarHBondContact O-N 3.36Å; G200-M214 VanDerWaalsContact O-N 3.09Å; L203-M214 HydrophobicContact CB-CB 4.46Å; L203-M214 HydrophobicContact CD2-CB 4.39Å; L203-M214 HydrophobicContact CG-CB 4.14Å; A204-M214 HydrophobicContact CB-CB 4.06Å; A204-M214 HydrophobicContact CB-CG 3.97Å; L207-M214 HydrophobicContact CD1-CB 4.38Å; S209-M214 WeakPolarHBondContact OG-CG 3.29Å; C211-M214 HydrophobicContact CB-CG 4.29Å; C211-M214 HydrophobicContact CB-SD 3.62Å; M214-Y221 HydrophobicContact CE-CD1 3.87Å; M214-Y221 HydrophobicContact CE-CG 4.13Å; M214-L229 HydrophobicContact SD-CD2 4.21Å; M214-I273 HydrophobicContact CE-CD1 3.46Å; M214-I273 VanDerWaalsContact CE-CD1 3.46Å; M214-I273 HydrophobicContact SD-CD1 4.31Å | ||
| 215 | Y | 98 | Very high | 96.2 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | trans | -135.7 | 151.9 | 179.9 | -57.8 | -80.2 | 0 | 0 | 0 | 110.3 | D159 I196 L213 Y221 L229 I232 F233 | D159-Y215 HydrophobicContact CB-CD1 3.44Å; D159-Y215 VanDerWaalsContact CB-CD1 3.44Å; D159-Y215 HydrophobicContact CB-CE1 3.78Å; D159-Y215 HydrophobicContact CB-CG 4.27Å; D159-Y215 WeakPolarHBondContact OD2-CD1 3.35Å; I196-Y215 HydrophobicContact CG2-CE1 3.99Å; I196-Y215 VanDerWaalsContact O-CE1 3.28Å; I196-Y215 WeakPolarHBondContact O-CE1 3.05Å; I196-Y215 PolarHBondContact O-OH 3.07Å; L213-Y215 HydrophobicContact CB-CE2 3.98Å; Y215-Y221 WeakPolarHBondContact O-CD1 3.49Å; Y215-L229 HydrophobicContact CD2-CD1 4.07Å; Y215-L229 HydrophobicContact CD2-CG 4.11Å; Y215-I232 HydrophobicContact CD1-CD1 3.94Å; Y215-I232 HydrophobicContact CD2-CD1 3.51Å; Y215-I232 HydrophobicContact CD2-CG2 4.24Å; Y215-I232 HydrophobicContact CE1-CD1 4.48Å; Y215-I232 HydrophobicContact CE1-CG2 4.47Å; Y215-I232 HydrophobicContact CE2-CB 4.49Å; Y215-I232 HydrophobicContact CE2-CD1 4.13Å; Y215-I232 HydrophobicContact CE2-CG2 3.76Å; Y215-I232 HydrophobicContact CG-CD1 3.39Å; Y215-F233 AromaticContact CE2-CE1 3.86Å; Y215-F233 HydrophobicContact CE2-CE1 3.86Å; Y215-F233 HydrophobicContact CE2-CZ 4.38Å | ||
| 216 | A | 96.2 | Very high | 96.2 | Very high | 44 Ų | 44 | 57 Ų | 57 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | trans | -132.6 | 146.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L203 S220 Y221 | L203-A216 HydrophobicContact CD2-CB 3.87Å; A216-S220 WeakPolarHBondContact CA-O 3.44Å; A216-Y221 HydrophobicContact CB-CD1 4.24Å; A216-Y221 HydrophobicContact CB-CE1 4.13Å | ||
| 217 | W | 95.9 | Very high | 96.2 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -145.1 | 131.6 | 170.9 | -179.3 | 79 | 0 | 0 | 0 | 107.6 | E160 F163 D219 S220 Y222 H227 | E160-W217 HydrophobicContact CG-CB 3.94Å; E160-W217 HydrophobicContact CG-CD2 4.47Å; E160-W217 HydrophobicContact CG-CG 3.78Å; F163-W217 AromaticContact CD2-CE2 3.91Å; F163-W217 AromaticContact CD2-CZ2 3.75Å; F163-W217 HydrophobicContact CD2-CZ2 3.75Å; F163-W217 AromaticContact CD2-NE1 3.72Å; F163-W217 HydrophobicContact CE2-CH2 4.47Å; F163-W217 AromaticContact CE2-CZ2 3.66Å; F163-W217 HydrophobicContact CE2-CZ2 3.66Å; W217-D219 PolarHBondContact O-N 3.19Å; W217-S220 PolarHBondContact N-O 2.85Å; W217-S220 PolarHBondContact O-N 3.36Å; W217-S220 VanDerWaalsContact O-N 3.1Å; W217-Y222 HydrophobicContact CB-CD2 4.26Å; W217-Y222 HydrophobicContact CD2-CE2 4.48Å; W217-Y222 AromaticContact CE3-CD2 3.85Å; W217-Y222 HydrophobicContact CE3-CD2 3.85Å; W217-Y222 AromaticContact CE3-CE2 3.39Å; W217-Y222 HydrophobicContact CE3-CE2 3.39Å; W217-Y222 AromaticContact CZ3-CE2 3.95Å; W217-Y222 HydrophobicContact CZ3-CE2 3.95Å; W217-Y222 VanDerWaalsContact O-CE2 3.26Å; W217-Y222 WeakPolarHBondContact O-CE2 3.5Å; W217-H227 HydrophobicContact CD2-CB 4.33Å; W217-H227 AromaticContact CD2-ND1 3.78Å; W217-H227 AromaticContact CE2-ND1 3.88Å; W217-H227 HydrophobicContact CE3-CB 3.82Å; W217-H227 AromaticContact CE3-CD2 3.99Å; W217-H227 AromaticContact CE3-CG 3.56Å; W217-H227 AromaticContact CE3-ND1 3.66Å; W217-H227 AromaticContact CH2-CE1 3.51Å; W217-H227 AromaticContact CH2-ND1 3.93Å; W217-H227 AromaticContact CH2-NE2 3.68Å; W217-H227 AromaticContact CZ2-CE1 3.69Å; W217-H227 AromaticContact CZ2-ND1 3.98Å; W217-H227 HydrophobicContact CZ3-CB 4.35Å; W217-H227 AromaticContact CZ3-CD2 3.63Å; W217-H227 AromaticContact CZ3-CE1 3.7Å; W217-H227 AromaticContact CZ3-CG 3.68Å; W217-H227 AromaticContact CZ3-ND1 3.76Å; W217-H227 AromaticContact CZ3-NE2 3.67Å |
| 218 | H | 91.8 | Very high | 96.3 | Very high | 135 Ų | 135 | 51.8 Ų | 51.8 | 63% | 0.625 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.5 | 57.5 | -175.5 | -73.8 | -110.5 | 0 | 0 | 0 | 112.9 | S220 | H218-S220 PolarHBondContact O-N 3.11Å; H218-S220 PolarHBondContact O-OG 3.07Å |
| 219 | D | 89.7 | Confident | 96.4 | Very high | 167 Ų | 167 | 40.7 Ų | 40.7 | 89% | 0.893 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 16.8 | 177 | -54.1 | -47.8 | 0 | 0 | 0 | 115.7 | W217 | W217-D219 PolarHBondContact O-N 3.19Š|
| 220 | S | 94.3 | Very high | 96.6 | Very high | 31 Ų | 31 | 39 Ų | 39 | 22% | 0.217 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -127.9 | 143.3 | -176.4 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | A216 W217 H218 Y222 | A216-S220 WeakPolarHBondContact CA-O 3.44Å; W217-S220 PolarHBondContact N-O 2.85Å; W217-S220 PolarHBondContact O-N 3.36Å; W217-S220 VanDerWaalsContact O-N 3.1Å; H218-S220 PolarHBondContact O-N 3.11Å; H218-S220 PolarHBondContact O-OG 3.07Å; S220-Y222 PolarHBondContact O-N 3.22Å |
| 221 | Y | 96 | Very high | 96.7 | Very high | 37 Ų | 37 | 28 Ų | 28 | 15% | 0.145 | 15% | 0.148 | C | C | . | . | trans | -91.3 | 75.9 | 174 | -52 | -72.4 | 0 | 0 | 0 | 109.5 | L203 L207 M214 Y215 A216 S272 I273 R274 | L203-Y221 HydrophobicContact CD2-CE1 4.29Å; L207-Y221 HydrophobicContact CD1-CD1 4.22Å; L207-Y221 HydrophobicContact CD1-CE1 3.41Å; L207-Y221 VanDerWaalsContact CD1-CE1 3.41Å; L207-Y221 WeakPolarHBondContact CD2-OH 3.22Å; M214-Y221 HydrophobicContact CE-CD1 3.87Å; M214-Y221 HydrophobicContact CE-CG 4.13Å; Y215-Y221 WeakPolarHBondContact O-CD1 3.49Å; A216-Y221 HydrophobicContact CB-CD1 4.24Å; A216-Y221 HydrophobicContact CB-CE1 4.13Å; Y221-S272 WeakPolarHBondContact O-CA 3.45Å; Y221-S272 WeakPolarHBondContact O-CB 3.2Å; Y221-I273 PolarHBondContact O-N 2.9Å; Y221-I273 VanDerWaalsContact O-N 3.12Å; Y221-R274 HydrophobicContact CD2-CG 4.09Å; Y221-R274 HydrophobicContact CE2-CG 4.44Å | ||
| 222 | Y | 97.3 | Very high | 96.8 | Very high | 48 Ų | 48 | 28 Ų | 28 | 19% | 0.188 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -67.8 | 146.3 | -179.5 | -72.7 | -76.3 | 0 | 0 | 0 | 111.8 | W217 S220 H227 G228 L229 S271 H286 | W217-Y222 HydrophobicContact CB-CD2 4.26Å; W217-Y222 HydrophobicContact CD2-CE2 4.48Å; W217-Y222 AromaticContact CE3-CD2 3.85Å; W217-Y222 HydrophobicContact CE3-CD2 3.85Å; W217-Y222 AromaticContact CE3-CE2 3.39Å; W217-Y222 HydrophobicContact CE3-CE2 3.39Å; W217-Y222 AromaticContact CZ3-CE2 3.95Å; W217-Y222 HydrophobicContact CZ3-CE2 3.95Å; W217-Y222 VanDerWaalsContact O-CE2 3.26Å; W217-Y222 WeakPolarHBondContact O-CE2 3.5Å; S220-Y222 PolarHBondContact O-N 3.22Å; Y222-H227 WeakPolarHBondContact CB-O 3.48Å; Y222-H227 HydrophobicContact CD1-CB 4.46Å; Y222-H227 HydrophobicContact CD2-CB 3.94Å; Y222-H227 HydrophobicContact CG-CB 3.88Å; Y222-G228 VanDerWaalsContact C-CA 3.45Å; Y222-G228 WeakPolarHBondContact O-CA 3.32Å; Y222-L229 VanDerWaalsContact O-CD1 3.25Å; Y222-L229 WeakPolarHBondContact O-CD1 3.4Å; Y222-L229 PolarHBondContact O-N 3.22Å; Y222-L229 VanDerWaalsContact O-N 3.14Å; Y222-S271 CarbonylContact C-O 3.44Å; Y222-S271 WeakPolarHBondContact CA-O 3.22Å; Y222-H286 AromaticContact CD1-CE1 3.53Å; Y222-H286 AromaticContact CE1-CE1 3.8Å |
| 223 | L | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -111.9 | -28.5 | -176.8 | -55 | 172.4 | 0 | 0 | 0 | 113.7 | L229 A230 L259 L262 P270 S271 I273 F291 | L223-L229 HydrophobicContact CD2-CD2 4.35Å; L223-A230 WeakPolarHBondContact O-CB 3.42Å; L223-A230 PolarHBondContact O-N 3.01Å; L223-L259 HydrophobicContact CD2-CD2 3.73Å; L223-L262 HydrophobicContact CD1-CD1 3.68Å; L223-L262 HydrophobicContact CD2-CD1 4.03Å; L223-P270 HydrophobicContact CD1-CB 4.22Å; L223-P270 HydrophobicContact CD1-CG 3.71Å; L223-S271 PolarHBondContact N-O 3.12Å; L223-I273 HydrophobicContact CD1-CG1 4.33Å; L223-I273 HydrophobicContact CD2-CD1 4.24Å; L223-I273 HydrophobicContact CD2-CG1 3.75Å; L223-I273 HydrophobicContact CG-CG1 4.32Å; L223-F291 HydrophobicContact CB-CE2 4.14Å; L223-F291 HydrophobicContact CB-CZ 3.62Å | ||
| 224 | G | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -70.5 | -178.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G228 C285 | G224-G228 CarbonylContact O-C 3.59Å; G224-G228 VanDerWaalsContact O-C 3.24Å; G224-G228 WeakPolarHBondContact O-CA 3.32Å; G224-G228 PolarHBondContact O-N 3.34Å; G224-C285 CarbonylContact C-O 3.53Å; G224-C285 WeakPolarHBondContact CA-O 3.13Å |
| 225 | A | 98.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -30.2 | -170 | 0 | 0 | 0 | 0 | 0 | 114.8 | G231 W284 C285 | A225-G231 WeakPolarHBondContact O-CA 3.42Å; A225-W284 HydrophobicContact CB-CD2 4.46Å; A225-W284 HydrophobicContact CB-CZ2 4.35Å; A225-W284 WeakPolarHBondContact CB-O 3.49Å; A225-C285 PolarHBondContact N-O 3.44Å |
| 226 | A | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -55.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L161 L162 W284 C285 | L161-A226 WeakPolarHBondContact CB-O 3.23Å; L161-A226 PolarHBondContact N-O 3.43Å; L161-A226 VanDerWaalsContact N-O 3.14Å; L162-A226 HydrophobicContact CD1-CB 4.21Å; L162-A226 HydrophobicContact CD2-CB 4.41Å; L162-A226 HydrophobicContact CG-CB 4.1Å; L162-A226 PolarHBondContact N-O 3.12Å; A226-W284 HydrophobicContact CB-CE3 4.45Å; A226-W284 HydrophobicContact CB-CH2 4.26Å; A226-W284 HydrophobicContact CB-CZ3 3.9Å; A226-C285 HydrophobicContact CB-CB 3.54Å |
| 227 | H | 97.1 | Very high | 97 | Very high | 27 Ų | 27 | 26.5 Ų | 26.5 | 13% | 0.125 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 1.9 | -168.8 | -65.1 | -52.4 | 0 | 0 | 0 | 114.4 | E160 L162 F163 W217 Y222 | E160-H227 VanDerWaalsContact CB-O 3.31Å; E160-H227 WeakPolarHBondContact CB-O 3.12Å; E160-H227 HydrophobicContact CG-CB 4.42Å; E160-H227 IonicContact OE2-CE1 3.57Å; E160-H227 IonicContact OE2-CG 2.9Å; E160-H227 IonicContact OE2-ND1 2.8Å; E160-H227 PolarHBondContact OE2-ND1 3.46Å; L162-H227 VanDerWaalsContact CD1-CE1 3.4Å; L162-H227 WeakPolarHBondContact CD1-CE1 3.43Å; F163-H227 AromaticContact CE2-CE1 3.91Å; W217-H227 HydrophobicContact CD2-CB 4.33Å; W217-H227 AromaticContact CD2-ND1 3.78Å; W217-H227 AromaticContact CE2-ND1 3.88Å; W217-H227 HydrophobicContact CE3-CB 3.82Å; W217-H227 AromaticContact CE3-CD2 3.99Å; W217-H227 AromaticContact CE3-CG 3.56Å; W217-H227 AromaticContact CE3-ND1 3.66Å; W217-H227 AromaticContact CH2-CE1 3.51Å; W217-H227 AromaticContact CH2-ND1 3.93Å; W217-H227 AromaticContact CH2-NE2 3.68Å; W217-H227 AromaticContact CZ2-CE1 3.69Å; W217-H227 AromaticContact CZ2-ND1 3.98Å; W217-H227 HydrophobicContact CZ3-CB 4.35Å; W217-H227 AromaticContact CZ3-CD2 3.63Å; W217-H227 AromaticContact CZ3-CE1 3.7Å; W217-H227 AromaticContact CZ3-CG 3.68Å; W217-H227 AromaticContact CZ3-ND1 3.76Å; W217-H227 AromaticContact CZ3-NE2 3.67Å; Y222-H227 WeakPolarHBondContact CB-O 3.48Å; Y222-H227 HydrophobicContact CD1-CB 4.46Å; Y222-H227 HydrophobicContact CD2-CB 3.94Å; Y222-H227 HydrophobicContact CG-CB 3.88Å |
| 228 | G | 97.3 | Very high | 97 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -133.5 | -173.5 | -160.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y222 G224 A230 G231 I232 | Y222-G228 VanDerWaalsContact C-CA 3.45Å; Y222-G228 WeakPolarHBondContact O-CA 3.32Å; G224-G228 CarbonylContact O-C 3.59Å; G224-G228 VanDerWaalsContact O-C 3.24Å; G224-G228 WeakPolarHBondContact O-CA 3.32Å; G224-G228 PolarHBondContact O-N 3.34Å; G228-A230 VanDerWaalsContact C-N 3.33Å; G228-A230 PolarHBondContact O-N 3.29Å; G228-G231 PolarHBondContact O-N 2.9Å; G228-I232 WeakPolarHBondContact O-CG1 3.3Å; G228-I232 PolarHBondContact O-N 3.09Å |
| 229 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.2 | -41 | -173.3 | -85.9 | 63.4 | 0 | 0 | 0 | 112.8 | M214 Y215 Y222 L223 G231 I232 F233 L259 | M214-L229 HydrophobicContact SD-CD2 4.21Å; Y215-L229 HydrophobicContact CD2-CD1 4.07Å; Y215-L229 HydrophobicContact CD2-CG 4.11Å; Y222-L229 VanDerWaalsContact O-CD1 3.25Å; Y222-L229 WeakPolarHBondContact O-CD1 3.4Å; Y222-L229 PolarHBondContact O-N 3.22Å; Y222-L229 VanDerWaalsContact O-N 3.14Å; L223-L229 HydrophobicContact CD2-CD2 4.35Å; L229-G231 VanDerWaalsContact C-N 3.32Å; L229-G231 PolarHBondContact O-N 3.06Å; L229-I232 PolarHBondContact O-N 3.48Å; L229-F233 HydrophobicContact CB-CD2 4.15Å; L229-F233 HydrophobicContact CB-CE2 3.63Å; L229-F233 HydrophobicContact CB-CZ 4.02Å; L229-F233 HydrophobicContact CD2-CE2 3.97Å; L229-F233 HydrophobicContact CD2-CZ 3.96Å; L229-F233 HydrophobicContact CG-CE2 3.92Å; L229-F233 HydrophobicContact CG-CZ 3.84Å; L229-F233 WeakPolarHBondContact O-CB 3.44Å; L229-F233 VanDerWaalsContact O-CD2 3.27Å; L229-F233 WeakPolarHBondContact O-CD2 3.12Å; L229-F233 VanDerWaalsContact O-CG 3.23Å; L229-F233 WeakPolarHBondContact O-CG 3.45Å; L229-F233 PolarHBondContact O-N 3.35Å; L229-L259 HydrophobicContact CB-CD1 4.01Å; L229-L259 HydrophobicContact CB-CD2 4.27Å; L229-L259 HydrophobicContact CD2-CD2 3.82Å |
| 230 | A | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.008 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.5 | -41.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L223 G228 F234 F291 M294 | L223-A230 WeakPolarHBondContact O-CB 3.42Å; L223-A230 PolarHBondContact O-N 3.01Å; G228-A230 VanDerWaalsContact C-N 3.33Å; G228-A230 PolarHBondContact O-N 3.29Å; A230-F234 VanDerWaalsContact O-CB 3.26Å; A230-F234 WeakPolarHBondContact O-CB 3.26Å; A230-F234 PolarHBondContact O-N 3.38Å; A230-F291 HydrophobicContact CB-CD1 4.4Å; A230-F291 HydrophobicContact CB-CD2 4.2Å; A230-F291 HydrophobicContact CB-CE2 4.4Å; A230-F291 HydrophobicContact CB-CG 4.24Å; A230-M294 HydrophobicContact CB-CB 4.38Å; A230-M294 HydrophobicContact CB-SD 4.07Å |
| 231 | G | 98.6 | Very high | 97 | Very high | 3 Ų | 3 | 23 Ų | 23 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70.6 | -39 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A225 G228 L229 T235 | A225-G231 WeakPolarHBondContact O-CA 3.42Å; G228-G231 PolarHBondContact O-N 2.9Å; L229-G231 VanDerWaalsContact C-N 3.32Å; L229-G231 PolarHBondContact O-N 3.06Å; G231-T235 WeakPolarHBondContact O-CB 3.4Å; G231-T235 PolarHBondContact O-N 3Å; G231-T235 PolarHBondContact O-OG1 2.84Å |
| 232 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.6 | -50.1 | 177 | -63.9 | 171.6 | 0 | 0 | 0 | 110.1 | D159 E160 I196 Y215 G228 L229 T235 L236 | D159-I232 HydrophobicContact CB-CD1 3.98Å; E160-I232 HydrophobicContact CB-CD1 4.46Å; I196-I232 HydrophobicContact CG2-CG2 3.66Å; Y215-I232 HydrophobicContact CD1-CD1 3.94Å; Y215-I232 HydrophobicContact CD2-CD1 3.51Å; Y215-I232 HydrophobicContact CD2-CG2 4.24Å; Y215-I232 HydrophobicContact CE1-CD1 4.48Å; Y215-I232 HydrophobicContact CE1-CG2 4.47Å; Y215-I232 HydrophobicContact CE2-CB 4.49Å; Y215-I232 HydrophobicContact CE2-CD1 4.13Å; Y215-I232 HydrophobicContact CE2-CG2 3.76Å; Y215-I232 HydrophobicContact CG-CD1 3.39Å; G228-I232 WeakPolarHBondContact O-CG1 3.3Å; G228-I232 PolarHBondContact O-N 3.09Å; L229-I232 PolarHBondContact O-N 3.48Å; I232-T235 PolarHBondContact O-N 3.48Å; I232-L236 HydrophobicContact CG2-CD1 3.93Å; I232-L236 HydrophobicContact CG2-CG 4.44Å; I232-L236 WeakPolarHBondContact O-CG 3.35Å; I232-L236 PolarHBondContact O-N 2.54Å |
| 233 | F | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.6 | -40.7 | -179.1 | -60.4 | -28.7 | 0 | 0 | 0 | 112.3 | L213 Y215 L229 T235 L236 M237 V252 I256 L259 M294 | L213-F233 HydrophobicContact CB-CE1 3.92Å; L213-F233 HydrophobicContact CB-CZ 4.1Å; L213-F233 HydrophobicContact CD1-CE1 3.85Å; Y215-F233 AromaticContact CE2-CE1 3.86Å; Y215-F233 HydrophobicContact CE2-CE1 3.86Å; Y215-F233 HydrophobicContact CE2-CZ 4.38Å; L229-F233 HydrophobicContact CB-CD2 4.15Å; L229-F233 HydrophobicContact CB-CE2 3.63Å; L229-F233 HydrophobicContact CB-CZ 4.02Å; L229-F233 HydrophobicContact CD2-CE2 3.97Å; L229-F233 HydrophobicContact CD2-CZ 3.96Å; L229-F233 HydrophobicContact CG-CE2 3.92Å; L229-F233 HydrophobicContact CG-CZ 3.84Å; L229-F233 WeakPolarHBondContact O-CB 3.44Å; L229-F233 VanDerWaalsContact O-CD2 3.27Å; L229-F233 WeakPolarHBondContact O-CD2 3.12Å; L229-F233 VanDerWaalsContact O-CG 3.23Å; L229-F233 WeakPolarHBondContact O-CG 3.45Å; L229-F233 PolarHBondContact O-N 3.35Å; F233-T235 VanDerWaalsContact C-N 3.31Å; F233-T235 PolarHBondContact O-N 3.38Å; F233-L236 HydrophobicContact CD1-CD1 4.29Å; F233-L236 PolarHBondContact O-N 2.76Å; F233-M237 WeakPolarHBondContact O-CB 3.47Å; F233-M237 WeakPolarHBondContact O-CG 3.24Å; F233-M237 PolarHBondContact O-N 3.2Å; F233-V252 HydrophobicContact CB-CG1 4.1Å; F233-V252 HydrophobicContact CD1-CG1 4.29Å; F233-V252 HydrophobicContact CG-CG1 4.28Å; F233-I256 HydrophobicContact CB-CD1 4.39Å; F233-I256 HydrophobicContact CB-CG1 4.32Å; F233-I256 HydrophobicContact CD2-CG1 3.93Å; F233-I256 HydrophobicContact CG-CG1 4.36Å; F233-L259 HydrophobicContact CD2-CD1 3.91Å; F233-L259 HydrophobicContact CE2-CD1 3.84Å; F233-L259 HydrophobicContact CE2-CG 4.36Å; F233-M294 HydrophobicContact CB-CG 4.17Å; F233-M294 HydrophobicContact CB-SD 4Å; F233-M294 HydrophobicContact CD2-SD 3.9Å; F233-M294 HydrophobicContact CG-SD 4.48Å |
| 234 | F | 98.7 | Very high | 96.5 | Very high | 52 Ų | 52 | 26 Ų | 26 | 23% | 0.228 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.2 | -46.8 | 171.5 | 177.4 | -100.1 | 0 | 0 | 0 | 111.6 | A230 M237 R238 H293 M294 Q297 M343 | A230-F234 VanDerWaalsContact O-CB 3.26Å; A230-F234 WeakPolarHBondContact O-CB 3.26Å; A230-F234 PolarHBondContact O-N 3.38Å; F234-M237 PolarHBondContact O-N 3.1Å; F234-R238 HydrophobicContact CE1-CG 4.23Å; F234-R238 HydrophobicContact CE2-CG 4.31Å; F234-R238 HydrophobicContact CZ-CG 4.11Å; F234-R238 WeakPolarHBondContact O-CG 3.23Å; F234-R238 PolarHBondContact O-N 3.3Å; F234-H293 HydrophobicContact CD2-CB 4.11Å; F234-H293 VanDerWaalsContact CD2-O 3.3Å; F234-H293 WeakPolarHBondContact CD2-O 3.08Å; F234-H293 HydrophobicContact CE2-CB 4.17Å; F234-M294 HydrophobicContact CB-CB 4.39Å; F234-Q297 HydrophobicContact CD2-CB 3.73Å; F234-Q297 HydrophobicContact CD2-CG 4.2Å; F234-Q297 HydrophobicContact CE2-CB 3.88Å; F234-Q297 HydrophobicContact CE2-CG 4.31Å; F234-M343 HydrophobicContact CE2-CE 3.83Å; F234-M343 HydrophobicContact CZ-CE 4.45Å |
| 235 | T | 98.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65 | -45.2 | -179.9 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | L169 M173 G231 I232 F233 M237 R238 T239 | L169-T235 HydrophobicContact CB-CG2 4.35Å; L169-T235 HydrophobicContact CD2-CG2 3.99Å; L169-T235 HydrophobicContact CG-CG2 4.12Å; M173-T235 HydrophobicContact CE-CG2 4.17Å; M173-T235 VanDerWaalsContact CE-O 3.31Å; M173-T235 WeakPolarHBondContact CE-O 3Å; G231-T235 WeakPolarHBondContact O-CB 3.4Å; G231-T235 PolarHBondContact O-N 3Å; G231-T235 PolarHBondContact O-OG1 2.84Å; I232-T235 PolarHBondContact O-N 3.48Å; F233-T235 VanDerWaalsContact C-N 3.31Å; F233-T235 PolarHBondContact O-N 3.38Å; T235-M237 PolarHBondContact O-N 3.26Å; T235-R238 PolarHBondContact O-N 3.08Å; T235-R238 VanDerWaalsContact O-N 3.15Å; T235-T239 PolarHBondContact O-N 3.48Å; T235-T239 PolarHBondContact O-OG1 3.12Å |
| 236 | L | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58 | -49.1 | 176.9 | -74.4 | 169.2 | 0 | 0 | 0 | 111.5 | A193 I196 I197 I232 F233 R238 T239 F242 V252 | A193-L236 HydrophobicContact CB-CD2 3.88Å; I196-L236 HydrophobicContact CB-CD2 4.22Å; I196-L236 HydrophobicContact CD1-CD2 4.43Å; I196-L236 HydrophobicContact CG2-CD1 4.01Å; I196-L236 HydrophobicContact CG2-CD2 4.06Å; I196-L236 HydrophobicContact CG2-CG 4.27Å; I197-L236 HydrophobicContact CD1-CD1 3.78Å; I197-L236 HydrophobicContact CD1-CD2 4.4Å; I197-L236 HydrophobicContact CG1-CD2 4.33Å; I232-L236 HydrophobicContact CG2-CD1 3.93Å; I232-L236 HydrophobicContact CG2-CG 4.44Å; I232-L236 WeakPolarHBondContact O-CG 3.35Å; I232-L236 PolarHBondContact O-N 2.54Å; F233-L236 HydrophobicContact CD1-CD1 4.29Å; F233-L236 PolarHBondContact O-N 2.76Å; L236-R238 PolarHBondContact O-N 2.8Å; L236-R238 VanDerWaalsContact O-N 3.1Å; L236-T239 VanDerWaalsContact O-CB 3.24Å; L236-T239 WeakPolarHBondContact O-CB 3.38Å; L236-T239 PolarHBondContact O-N 3Å; L236-T239 PolarHBondContact O-OG1 3.46Å; L236-F242 HydrophobicContact CB-CE2 4.22Å; L236-F242 WeakPolarHBondContact O-CD2 3.3Å; L236-V252 HydrophobicContact CB-CG2 4.45Å; L236-V252 HydrophobicContact CD1-CG2 4.04Å |
| 237 | M | 98.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -17.4 | 179.2 | -71.2 | -171.5 | -70.9 | 0 | 0 | 114.3 | F233 F234 T235 F242 V252 I256 M294 Q297 A298 Y302 | F233-M237 WeakPolarHBondContact O-CB 3.47Å; F233-M237 WeakPolarHBondContact O-CG 3.24Å; F233-M237 PolarHBondContact O-N 3.2Å; F234-M237 PolarHBondContact O-N 3.1Å; T235-M237 PolarHBondContact O-N 3.26Å; M237-F242 HydrophobicContact CB-CD1 4.35Å; M237-F242 HydrophobicContact CB-CE1 4.15Å; M237-F242 HydrophobicContact CB-CZ 4.42Å; M237-F242 HydrophobicContact CG-CD1 4.33Å; M237-F242 HydrophobicContact CG-CE1 3.64Å; M237-F242 HydrophobicContact CG-CE2 4.39Å; M237-F242 HydrophobicContact CG-CZ 3.68Å; M237-V252 HydrophobicContact CG-CG1 3.99Å; M237-V252 HydrophobicContact SD-CG1 4.36Å; M237-I256 HydrophobicContact CE-CD1 3.73Å; M237-I256 HydrophobicContact SD-CD1 3.84Å; M237-M294 HydrophobicContact CE-CG 3.84Å; M237-M294 WeakPolarHBondContact CE-O 3.26Å; M237-Q297 HydrophobicContact CB-CG 3.63Å; M237-Q297 HydrophobicContact CE-CB 3.95Å; M237-Q297 HydrophobicContact CE-CG 3.97Å; M237-Q297 PolarHBondContact O-NE2 3.09Å; M237-Q297 HydrophobicContact SD-CG 4.25Å; M237-A298 HydrophobicContact CE-CB 4.19Å; M237-A298 HydrophobicContact SD-CB 4.04Å; M237-Y302 HydrophobicContact SD-CE2 3.89Å |
| 238 | R | 96.3 | Very high | 96.3 | Very high | 123 Ų | 123 | 37 Ų | 37 | 46% | 0.464 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -5.3 | 177.4 | -67.9 | -78 | -68 | 114.8 | 4.2 | 113 | M173 F234 T235 L236 Q297 | M173-R238 HydrophobicContact CE-CB 4.26Å; M173-R238 HydrophobicContact SD-CB 4.08Å; F234-R238 HydrophobicContact CE1-CG 4.23Å; F234-R238 HydrophobicContact CE2-CG 4.31Å; F234-R238 HydrophobicContact CZ-CG 4.11Å; F234-R238 WeakPolarHBondContact O-CG 3.23Å; F234-R238 PolarHBondContact O-N 3.3Å; T235-R238 PolarHBondContact O-N 3.08Å; T235-R238 VanDerWaalsContact O-N 3.15Å; L236-R238 PolarHBondContact O-N 2.8Å; L236-R238 VanDerWaalsContact O-N 3.1Å; R238-Q297 HydrophobicContact CG-CG 4.3Å |
| 239 | T | 95.1 | Very high | 96.3 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 6% | 0.055 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -69.3 | 137.5 | -179.7 | -51.3 | 0 | 0 | 0 | 0 | 109.8 | M173 M189 A193 T235 L236 N241 F242 | M173-T239 VanDerWaalsContact CE-CA 3.47Å; M173-T239 HydrophobicContact CE-CG2 4.46Å; M173-T239 WeakPolarHBondContact CE-OG1 3.32Å; M189-T239 HydrophobicContact CB-CG2 4.19Å; A193-T239 HydrophobicContact CB-CG2 4.08Å; T235-T239 PolarHBondContact O-N 3.48Å; T235-T239 PolarHBondContact O-OG1 3.12Å; L236-T239 VanDerWaalsContact O-CB 3.24Å; L236-T239 WeakPolarHBondContact O-CB 3.38Å; L236-T239 PolarHBondContact O-N 3Å; L236-T239 PolarHBondContact O-OG1 3.46Å; T239-N241 PolarHBondContact O-N 3.42Å; T239-F242 WeakPolarHBondContact O-CB 3.26Å; T239-F242 PolarHBondContact O-N 3.21Å; T239-F242 VanDerWaalsContact O-N 3.13Å |
| 240 | P | 90.8 | Very high | 96.2 | Very high | 56 Ų | 56 | 43.1 Ų | 43.1 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 142.6 | 171.6 | -28.2 | 36.9 | 0 | 0 | 0 | 111.7 | M189 F242 | M189-P240 HydrophobicContact CE-CG 3.72Å; M189-P240 HydrophobicContact SD-CG 4.05Å; P240-F242 PolarHBondContact O-N 2.74Å; P240-F242 VanDerWaalsContact O-N 3.12Å |
| 241 | N | 89.1 | Confident | 96.2 | Very high | 113 Ų | 113 | 44.5 Ų | 44.5 | 60% | 0.604 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 6.5 | -177.4 | -53.3 | -33 | 0 | 0 | 0 | 116.3 | T239 S243 A244 N245 | T239-N241 PolarHBondContact O-N 3.42Å; N241-S243 VanDerWaalsContact C-N 3.27Å; N241-S243 PolarHBondContact O-N 3.47Å; N241-A244 PolarHBondContact O-N 3.42Å; N241-A244 VanDerWaalsContact O-N 3.1Å; N241-N245 PolarHBondContact O-N 3.28Å |
| 242 | F | 95.7 | Very high | 96.2 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -53.6 | -46.7 | 173.4 | -179.5 | -90.8 | 0 | 0 | 0 | 111.5 | L236 M237 T239 P240 A244 N245 M248 K249 V252 I301 | L236-F242 HydrophobicContact CB-CE2 4.22Å; L236-F242 WeakPolarHBondContact O-CD2 3.3Å; M237-F242 HydrophobicContact CB-CD1 4.35Å; M237-F242 HydrophobicContact CB-CE1 4.15Å; M237-F242 HydrophobicContact CB-CZ 4.42Å; M237-F242 HydrophobicContact CG-CD1 4.33Å; M237-F242 HydrophobicContact CG-CE1 3.64Å; M237-F242 HydrophobicContact CG-CE2 4.39Å; M237-F242 HydrophobicContact CG-CZ 3.68Å; T239-F242 WeakPolarHBondContact O-CB 3.26Å; T239-F242 PolarHBondContact O-N 3.21Å; T239-F242 VanDerWaalsContact O-N 3.13Å; P240-F242 PolarHBondContact O-N 2.74Å; P240-F242 VanDerWaalsContact O-N 3.12Å; F242-A244 PolarHBondContact O-N 3.15Å; F242-A244 VanDerWaalsContact O-N 3.12Å; F242-N245 PolarHBondContact O-N 3.31Å; F242-M248 HydrophobicContact CD2-CG 4.06Å; F242-M248 HydrophobicContact CD2-SD 3.57Å; F242-M248 VanDerWaalsContact CD2-SD 3.57Å; F242-M248 HydrophobicContact CE2-CB 4.46Å; F242-M248 HydrophobicContact CE2-CG 3.69Å; F242-M248 HydrophobicContact CE2-SD 3.78Å; F242-K249 HydrophobicContact CD1-CG 4.05Å; F242-K249 HydrophobicContact CE1-CG 3.66Å; F242-K249 HydrophobicContact CZ-CG 4.14Å; F242-K249 WeakPolarHBondContact O-CG 3.47Å; F242-V252 HydrophobicContact CE2-CB 4.37Å; F242-V252 HydrophobicContact CE2-CG2 3.91Å; F242-V252 HydrophobicContact CZ-CB 3.91Å; F242-V252 HydrophobicContact CZ-CG1 4.1Å; F242-V252 HydrophobicContact CZ-CG2 3.98Å; F242-I301 HydrophobicContact CD1-CG2 4.37Å; F242-I301 HydrophobicContact CE1-CG2 4.12Å |
| 243 | S | 92.1 | Very high | 96.2 | Very high | 65 Ų | 65 | 45.7 Ų | 45.7 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -61.5 | -21 | -179.1 | -55.4 | 0 | 0 | 0 | 0 | 114.6 | N241 K249 I301 | N241-S243 VanDerWaalsContact C-N 3.27Å; N241-S243 PolarHBondContact O-N 3.47Å; S243-K249 VanDerWaalsContact O-CD 3.26Å; S243-K249 WeakPolarHBondContact O-CD 3.43Å; S243-K249 PolarHBondContact O-NZ 3.09Å; S243-I301 VanDerWaalsContact OG-CD1 3.3Å; S243-I301 WeakPolarHBondContact OG-CD1 3.4Å |
| 244 | A | 93.7 | Very high | 96.2 | Very high | 80 Ų | 80 | 47.9 Ų | 47.9 | 66% | 0.661 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -94.6 | -10.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | N241 F242 E246 | N241-A244 PolarHBondContact O-N 3.42Å; N241-A244 VanDerWaalsContact O-N 3.1Å; F242-A244 PolarHBondContact O-N 3.15Å; F242-A244 VanDerWaalsContact O-N 3.12Å; A244-E246 PolarHBondContact O-N 3.39Å |
| 245 | N | 94.8 | Very high | 96.2 | Very high | 47 Ų | 47 | 45.4 Ų | 45.4 | 25% | 0.251 | 25% | 0.253 | S | S | . | . | trans | -96.1 | 86.6 | -179.7 | -170.7 | -34.3 | 0 | 0 | 0 | 110.6 | N241 F242 S247 M248 K249 | N241-N245 PolarHBondContact O-N 3.28Å; F242-N245 PolarHBondContact O-N 3.31Å; N245-S247 VanDerWaalsContact C-N 3.29Å; N245-S247 PolarHBondContact O-N 3.15Å; N245-S247 PolarHBondContact OD1-N 2.93Å; N245-M248 HydrophobicContact CB-CB 4.06Å; N245-M248 PolarHBondContact O-N 2.91Å; N245-M248 WeakPolarHBondContact OD1-CB 3.33Å; N245-M248 PolarHBondContact OD1-N 2.92Å; N245-K249 WeakPolarHBondContact O-CB 3.47Å; N245-K249 WeakPolarHBondContact O-CG 3.15Å; N245-K249 PolarHBondContact O-N 3.09Å | ||
| 246 | E | 96.4 | Very high | 96.2 | Very high | 118 Ų | 118 | 45.2 Ų | 45.2 | 55% | 0.551 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.3 | -35.6 | -175.5 | -65.1 | -52 | 137.3 | 0 | 0 | 113.8 | A244 K249 E250 | A244-E246 PolarHBondContact O-N 3.39Å; E246-K249 VanDerWaalsContact CD-NZ 3.34Å; E246-K249 PolarHBondContact O-N 3.12Å; E246-K249 IonicContact OE1-NZ 2.6Å; E246-K249 PolarHBondContact OE1-NZ 2.85Å; E246-K249 IonicContact OE2-NZ 2.89Å; E246-K249 PolarHBondContact OE2-NZ 2.85Å; E246-K249 VanDerWaalsContact OE2-NZ 3.11Å; E246-E250 WeakPolarHBondContact O-CB 3.17Å; E246-E250 PolarHBondContact O-N 2.83Å |
| 247 | S | 95.9 | Very high | 96.2 | Very high | 86 Ų | 86 | 47.3 Ų | 47.3 | 60% | 0.601 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65.5 | -45.1 | 177.3 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | N245 L251 | N245-S247 VanDerWaalsContact C-N 3.29Å; N245-S247 PolarHBondContact O-N 3.15Å; N245-S247 PolarHBondContact OD1-N 2.93Å; S247-L251 WeakPolarHBondContact O-CG 3.32Å; S247-L251 PolarHBondContact O-N 3.32Å |
| 248 | M | 96.9 | Very high | 96.2 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 5% | 0.054 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.9 | -41.3 | 177.3 | -169 | -179.2 | -61.6 | 0 | 0 | 111.2 | A193 K194 I197 F242 N245 E250 L251 V252 | A193-M248 HydrophobicContact CB-CE 4.26Å; K194-M248 HydrophobicContact CG-CE 4.47Å; I197-M248 HydrophobicContact CD1-CG 3.76Å; I197-M248 HydrophobicContact CD1-SD 4.44Å; I197-M248 HydrophobicContact CG1-CE 4.05Å; I197-M248 HydrophobicContact CG1-CG 3.86Å; I197-M248 HydrophobicContact CG1-SD 4.12Å; F242-M248 HydrophobicContact CD2-CG 4.06Å; F242-M248 HydrophobicContact CD2-SD 3.57Å; F242-M248 VanDerWaalsContact CD2-SD 3.57Å; F242-M248 HydrophobicContact CE2-CB 4.46Å; F242-M248 HydrophobicContact CE2-CG 3.69Å; F242-M248 HydrophobicContact CE2-SD 3.78Å; N245-M248 HydrophobicContact CB-CB 4.06Å; N245-M248 PolarHBondContact O-N 2.91Å; N245-M248 WeakPolarHBondContact OD1-CB 3.33Å; N245-M248 PolarHBondContact OD1-N 2.92Å; M248-E250 PolarHBondContact O-N 3.32Å; M248-L251 PolarHBondContact O-N 3.45Å; M248-V252 WeakPolarHBondContact O-CG2 3.35Å; M248-V252 PolarHBondContact O-N 3.4Å |
| 249 | K | 97.5 | Very high | 96.3 | Very high | 31 Ų | 31 | 43.5 Ų | 43.5 | 14% | 0.135 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57 | -47.8 | 176 | -80 | 170.5 | 70.5 | -169.5 | 0 | 111.9 | F242 S243 N245 E246 V252 K253 Y302 | F242-K249 HydrophobicContact CD1-CG 4.05Å; F242-K249 HydrophobicContact CE1-CG 3.66Å; F242-K249 HydrophobicContact CZ-CG 4.14Å; F242-K249 WeakPolarHBondContact O-CG 3.47Å; S243-K249 VanDerWaalsContact O-CD 3.26Å; S243-K249 WeakPolarHBondContact O-CD 3.43Å; S243-K249 PolarHBondContact O-NZ 3.09Å; N245-K249 WeakPolarHBondContact O-CB 3.47Å; N245-K249 WeakPolarHBondContact O-CG 3.15Å; N245-K249 PolarHBondContact O-N 3.09Å; E246-K249 VanDerWaalsContact CD-NZ 3.34Å; E246-K249 PolarHBondContact O-N 3.12Å; E246-K249 IonicContact OE1-NZ 2.6Å; E246-K249 PolarHBondContact OE1-NZ 2.85Å; E246-K249 IonicContact OE2-NZ 2.89Å; E246-K249 PolarHBondContact OE2-NZ 2.85Å; E246-K249 VanDerWaalsContact OE2-NZ 3.11Å; K249-V252 PolarHBondContact O-N 2.99Å; K249-K253 WeakPolarHBondContact O-CB 3.4Å; K249-K253 PolarHBondContact O-N 3.23Å; K249-Y302 HydrophobicContact CB-CE1 4.12Å; K249-Y302 HydrophobicContact CG-CE1 4.46Å; K249-Y302 PolarHBondContact O-OH 3.08Å |
| 250 | E | 98 | Very high | 96.4 | Very high | 98 Ų | 98 | 44 Ų | 44 | 46% | 0.458 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | -177.5 | -174.3 | 50.4 | -132.9 | 0 | 0 | 111.9 | E246 M248 V252 K253 S254 | E246-E250 WeakPolarHBondContact O-CB 3.17Å; E246-E250 PolarHBondContact O-N 2.83Å; M248-E250 PolarHBondContact O-N 3.32Å; E250-V252 PolarHBondContact O-N 3.04Å; E250-K253 PolarHBondContact O-N 3.29Å; E250-S254 WeakPolarHBondContact O-CB 3.49Å; E250-S254 PolarHBondContact O-N 3.39Å; E250-S254 PolarHBondContact O-OG 2.97Å; E250-S254 PolarHBondContact OE1-OG 3.38Å |
| 251 | L | 98.4 | Very high | 96.7 | Very high | 31 Ų | 31 | 46.3 Ų | 46.3 | 16% | 0.162 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 176.1 | -71.4 | 169.4 | 0 | 0 | 0 | 112.2 | I197 Q201 P212 L213 S247 M248 S255 | I197-L251 HydrophobicContact CG2-CD1 3.91Å; Q201-L251 HydrophobicContact CG-CD1 4.43Å; P212-L251 HydrophobicContact CB-CD2 4.06Å; L213-L251 HydrophobicContact CD1-CB 4.09Å; L213-L251 HydrophobicContact CG-CB 4.32Å; S247-L251 WeakPolarHBondContact O-CG 3.32Å; S247-L251 PolarHBondContact O-N 3.32Å; M248-L251 PolarHBondContact O-N 3.45Å; L251-S255 WeakPolarHBondContact O-CB 3.4Å; L251-S255 PolarHBondContact O-N 3Å; L251-S255 VanDerWaalsContact O-N 3.14Å; L251-S255 PolarHBondContact O-OG 3.09Å |
| 252 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.1 | -45 | 178.4 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | I197 L213 F233 L236 M237 F242 M248 K249 E250 S255 I256 | I197-V252 HydrophobicContact CD1-CG2 4.13Å; L213-V252 HydrophobicContact CD1-CG2 4.01Å; F233-V252 HydrophobicContact CB-CG1 4.1Å; F233-V252 HydrophobicContact CD1-CG1 4.29Å; F233-V252 HydrophobicContact CG-CG1 4.28Å; L236-V252 HydrophobicContact CB-CG2 4.45Å; L236-V252 HydrophobicContact CD1-CG2 4.04Å; M237-V252 HydrophobicContact CG-CG1 3.99Å; M237-V252 HydrophobicContact SD-CG1 4.36Å; F242-V252 HydrophobicContact CE2-CB 4.37Å; F242-V252 HydrophobicContact CE2-CG2 3.91Å; F242-V252 HydrophobicContact CZ-CB 3.91Å; F242-V252 HydrophobicContact CZ-CG1 4.1Å; F242-V252 HydrophobicContact CZ-CG2 3.98Å; M248-V252 WeakPolarHBondContact O-CG2 3.35Å; M248-V252 PolarHBondContact O-N 3.4Å; K249-V252 PolarHBondContact O-N 2.99Å; E250-V252 PolarHBondContact O-N 3.04Å; V252-S255 WeakPolarHBondContact O-CB 3.41Å; V252-S255 PolarHBondContact O-N 2.98Å; V252-S255 VanDerWaalsContact O-N 3.11Å; V252-I256 HydrophobicContact CG1-CD1 3.79Å; V252-I256 HydrophobicContact CG1-CG1 4.3Å; V252-I256 WeakPolarHBondContact O-CG1 3.43Å; V252-I256 PolarHBondContact O-N 3.11Å |
| 253 | K | 98.6 | Very high | 97 | Very high | 28 Ų | 28 | 47.2 Ų | 47.2 | 12% | 0.122 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.4 | -54.8 | 178.2 | -171.6 | -165.4 | 150.9 | -65.8 | 0 | 111.7 | K249 E250 S255 I256 D257 Y302 Y307 | K249-K253 WeakPolarHBondContact O-CB 3.4Å; K249-K253 PolarHBondContact O-N 3.23Å; E250-K253 PolarHBondContact O-N 3.29Å; K253-S255 PolarHBondContact O-N 2.78Å; K253-I256 PolarHBondContact O-N 3.49Å; K253-I256 VanDerWaalsContact O-N 3.08Å; K253-D257 IonicContact NZ-OD2 2.85Å; K253-D257 PolarHBondContact NZ-OD2 3.47Å; K253-D257 VanDerWaalsContact O-CG 3.24Å; K253-D257 PolarHBondContact O-N 3.26Å; K253-Y302 HydrophobicContact CB-CD1 4.4Å; K253-Y302 HydrophobicContact CB-CE1 3.72Å; K253-Y302 HydrophobicContact CB-CE2 4.29Å; K253-Y302 HydrophobicContact CD-CD1 4.13Å; K253-Y302 HydrophobicContact CD-CE1 4.18Å; K253-Y302 HydrophobicContact CG-CD1 4.17Å; K253-Y302 HydrophobicContact CG-CE1 3.99Å; K253-Y302 HydrophobicContact CG-CE2 4.46Å; K253-Y302 HydrophobicContact CG-CG 4.47Å; K253-Y302 PolarHBondContact N-OH 2.74Å; K253-Y307 VanDerWaalsContact CG-OH 3.28Å; K253-Y307 WeakPolarHBondContact CG-OH 3.42Å |
| 254 | S | 98.4 | Very high | 97.1 | Very high | 46 Ų | 46 | 46.2 Ų | 46.2 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.4 | -29.5 | 178.3 | -79.5 | 0 | 0 | 0 | 0 | 112.6 | E250 Y258 | E250-S254 WeakPolarHBondContact O-CB 3.49Å; E250-S254 PolarHBondContact O-N 3.39Å; E250-S254 PolarHBondContact O-OG 2.97Å; E250-S254 PolarHBondContact OE1-OG 3.38Å; S254-Y258 PolarHBondContact O-N 2.97Å |
| 255 | S | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.7 | -39.8 | 173.8 | -55.4 | 0 | 0 | 0 | 0 | 112.9 | C211 P212 L213 L251 V252 K253 Y258 L259 | C211-S255 VanDerWaalsContact SG-CB 3.58Å; P212-S255 WeakPolarHBondContact CG-OG 3.38Å; L213-S255 WeakPolarHBondContact CB-OG 3.5Å; L213-S255 PolarHBondContact N-OG 3.43Å; L251-S255 WeakPolarHBondContact O-CB 3.4Å; L251-S255 PolarHBondContact O-N 3Å; L251-S255 VanDerWaalsContact O-N 3.14Å; L251-S255 PolarHBondContact O-OG 3.09Å; V252-S255 WeakPolarHBondContact O-CB 3.41Å; V252-S255 PolarHBondContact O-N 2.98Å; V252-S255 VanDerWaalsContact O-N 3.11Å; K253-S255 PolarHBondContact O-N 2.78Å; S255-Y258 WeakPolarHBondContact O-CB 3.4Å; S255-Y258 PolarHBondContact O-N 3.44Å; S255-L259 WeakPolarHBondContact O-CG 3.29Å; S255-L259 PolarHBondContact O-N 2.91Å; S255-L259 VanDerWaalsContact O-N 3.12Å |
| 256 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 174.3 | -67.1 | 172 | 0 | 0 | 0 | 110.1 | F233 M237 V252 K253 Y258 L259 I260 M294 F295 A298 Y307 | F233-I256 HydrophobicContact CB-CD1 4.39Å; F233-I256 HydrophobicContact CB-CG1 4.32Å; F233-I256 HydrophobicContact CD2-CG1 3.93Å; F233-I256 HydrophobicContact CG-CG1 4.36Å; M237-I256 HydrophobicContact CE-CD1 3.73Å; M237-I256 HydrophobicContact SD-CD1 3.84Å; V252-I256 HydrophobicContact CG1-CD1 3.79Å; V252-I256 HydrophobicContact CG1-CG1 4.3Å; V252-I256 WeakPolarHBondContact O-CG1 3.43Å; V252-I256 PolarHBondContact O-N 3.11Å; K253-I256 PolarHBondContact O-N 3.49Å; K253-I256 VanDerWaalsContact O-N 3.08Å; I256-Y258 VanDerWaalsContact C-N 3.26Å; I256-Y258 PolarHBondContact O-N 2.95Å; I256-L259 WeakPolarHBondContact O-CA 3.48Å; I256-L259 WeakPolarHBondContact O-CB 3.46Å; I256-L259 PolarHBondContact O-N 3.18Å; I256-I260 PolarHBondContact O-N 2.99Å; I256-I260 VanDerWaalsContact O-N 3.13Å; I256-M294 HydrophobicContact CD1-CG 4.11Å; I256-M294 HydrophobicContact CD1-SD 4.28Å; I256-M294 HydrophobicContact CG1-CE 4.39Å; I256-M294 HydrophobicContact CG1-CG 4.3Å; I256-M294 HydrophobicContact CG1-SD 3.8Å; I256-M294 HydrophobicContact CG2-CE 3.99Å; I256-M294 HydrophobicContact CG2-SD 4.5Å; I256-F295 HydrophobicContact CG2-CD1 4.3Å; I256-F295 HydrophobicContact CG2-CE1 4.06Å; I256-A298 HydrophobicContact CD1-CB 4.01Å; I256-Y307 HydrophobicContact CG2-CD1 4.22Å; I256-Y307 HydrophobicContact CG2-CE1 3.76Å |
| 257 | D | 98.5 | Very high | 97.2 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 24% | 0.235 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.9 | -39.1 | 177.2 | -63.3 | -12.8 | 0 | 0 | 0 | 110.9 | K253 I260 Y307 | K253-D257 IonicContact NZ-OD2 2.85Å; K253-D257 PolarHBondContact NZ-OD2 3.47Å; K253-D257 VanDerWaalsContact O-CG 3.24Å; K253-D257 PolarHBondContact O-N 3.26Å; D257-I260 PolarHBondContact O-N 2.98Å; D257-Y307 WeakPolarHBondContact OD1-CE1 3.3Å; D257-Y307 PolarHBondContact OD1-OH 3.38Å |
| 258 | Y | 98 | Very high | 97.3 | Very high | 46 Ų | 46 | 39.5 Ų | 39.5 | 18% | 0.18 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 171.6 | 171.3 | -97.4 | 0 | 0 | 0 | 112.6 | R210 C211 S254 S255 I256 I260 T261 L262 I273 | R210-Y258 HydrophobicContact CB-CD2 4.28Å; R210-Y258 HydrophobicContact CB-CE2 4.17Å; C211-Y258 HydrophobicContact CB-CD1 3.38Å; C211-Y258 HydrophobicContact CB-CD2 4.23Å; C211-Y258 HydrophobicContact CB-CE1 3.72Å; C211-Y258 HydrophobicContact CB-CG 3.65Å; C211-Y258 VanDerWaalsContact SG-CD1 3.58Å; S254-Y258 PolarHBondContact O-N 2.97Å; S255-Y258 WeakPolarHBondContact O-CB 3.4Å; S255-Y258 PolarHBondContact O-N 3.44Å; I256-Y258 VanDerWaalsContact C-N 3.26Å; I256-Y258 PolarHBondContact O-N 2.95Å; Y258-I260 VanDerWaalsContact C-N 3.29Å; Y258-I260 PolarHBondContact O-N 3.08Å; Y258-T261 WeakPolarHBondContact O-CB 2.88Å; Y258-T261 PolarHBondContact O-N 2.9Å; Y258-T261 VanDerWaalsContact O-N 3.13Å; Y258-T261 PolarHBondContact O-OG1 3.16Å; Y258-L262 HydrophobicContact CD1-CD1 4.39Å; Y258-L262 HydrophobicContact CE1-CD1 3.78Å; Y258-L262 HydrophobicContact CE1-CD2 4.48Å; Y258-L262 HydrophobicContact CE1-CG 4.32Å; Y258-I273 HydrophobicContact CE1-CD1 4.33Å |
| 259 | L | 97.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.4 | -36.6 | 178.8 | -67.5 | -173.9 | 0 | 0 | 0 | 112.8 | L223 L229 F233 S255 I256 T261 L262 Y269 F291 M294 | L223-L259 HydrophobicContact CD2-CD2 3.73Å; L229-L259 HydrophobicContact CB-CD1 4.01Å; L229-L259 HydrophobicContact CB-CD2 4.27Å; L229-L259 HydrophobicContact CD2-CD2 3.82Å; F233-L259 HydrophobicContact CD2-CD1 3.91Å; F233-L259 HydrophobicContact CE2-CD1 3.84Å; F233-L259 HydrophobicContact CE2-CG 4.36Å; S255-L259 WeakPolarHBondContact O-CG 3.29Å; S255-L259 PolarHBondContact O-N 2.91Å; S255-L259 VanDerWaalsContact O-N 3.12Å; I256-L259 WeakPolarHBondContact O-CA 3.48Å; I256-L259 WeakPolarHBondContact O-CB 3.46Å; I256-L259 PolarHBondContact O-N 3.18Å; L259-T261 PolarHBondContact O-N 2.59Å; L259-L262 HydrophobicContact CD2-CD1 4.11Å; L259-L262 WeakPolarHBondContact O-CB 3.41Å; L259-L262 PolarHBondContact O-N 3.15Å; L259-Y269 WeakPolarHBondContact O-CE1 3.45Å; L259-F291 HydrophobicContact CB-CE1 4.34Å; L259-F291 HydrophobicContact CD1-CE1 4.22Å; L259-M294 HydrophobicContact CD1-CE 3.91Å; L259-M294 HydrophobicContact CD1-SD 3.83Å |
| 260 | I | 98 | Very high | 97.2 | Very high | 20 Ų | 20 | 38.3 Ų | 38.3 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.9 | -37.6 | 176.5 | -65.3 | 174.1 | 0 | 0 | 0 | 110.5 | I256 D257 Y258 L262 R263 F295 Y307 E310 | I256-I260 PolarHBondContact O-N 2.99Å; I256-I260 VanDerWaalsContact O-N 3.13Å; D257-I260 PolarHBondContact O-N 2.98Å; Y258-I260 VanDerWaalsContact C-N 3.29Å; Y258-I260 PolarHBondContact O-N 3.08Å; I260-L262 PolarHBondContact O-N 3.02Å; I260-L262 VanDerWaalsContact O-N 3.11Å; I260-R263 VanDerWaalsContact O-CB 3.29Å; I260-R263 WeakPolarHBondContact O-CB 3.1Å; I260-R263 PolarHBondContact O-N 3.43Å; I260-F295 HydrophobicContact CD1-CE1 4.14Å; I260-F295 HydrophobicContact CG1-CE1 3.68Å; I260-F295 HydrophobicContact CG1-CZ 4.06Å; I260-Y307 HydrophobicContact CD1-CD1 3.97Å; I260-Y307 HydrophobicContact CD1-CE1 3.9Å; I260-E310 HydrophobicContact CD1-CG 4.15Å; I260-E310 HydrophobicContact CG1-CG 4.16Å; I260-E310 HydrophobicContact CG2-CG 4.2Å |
| 261 | T | 96.6 | Very high | 97.1 | Very high | 104 Ų | 104 | 34.8 Ų | 34.8 | 64% | 0.638 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.5 | 178.8 | 76.9 | 0 | 0 | 0 | 0 | 114.4 | Y258 L259 | Y258-T261 WeakPolarHBondContact O-CB 2.88Å; Y258-T261 PolarHBondContact O-N 2.9Å; Y258-T261 VanDerWaalsContact O-N 3.13Å; Y258-T261 PolarHBondContact O-OG1 3.16Å; L259-T261 PolarHBondContact O-N 2.59Å |
| 262 | L | 95.6 | Very high | 96.9 | Very high | 41 Ų | 41 | 33.6 Ų | 33.6 | 22% | 0.215 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -2.6 | -179 | -56.2 | -179 | 0 | 0 | 0 | 113.5 | L223 Y258 L259 I260 P270 I273 | L223-L262 HydrophobicContact CD1-CD1 3.68Å; L223-L262 HydrophobicContact CD2-CD1 4.03Å; Y258-L262 HydrophobicContact CD1-CD1 4.39Å; Y258-L262 HydrophobicContact CE1-CD1 3.78Å; Y258-L262 HydrophobicContact CE1-CD2 4.48Å; Y258-L262 HydrophobicContact CE1-CG 4.32Å; L259-L262 HydrophobicContact CD2-CD1 4.11Å; L259-L262 WeakPolarHBondContact O-CB 3.41Å; L259-L262 PolarHBondContact O-N 3.15Å; I260-L262 PolarHBondContact O-N 3.02Å; I260-L262 VanDerWaalsContact O-N 3.11Å; L262-P270 HydrophobicContact CB-CG 4.28Å; L262-P270 WeakPolarHBondContact O-CD 3.37Å; L262-P270 WeakPolarHBondContact O-CG 3.18Å; L262-I273 HydrophobicContact CD1-CG1 4.35Å |
| 263 | R | 95.3 | Very high | 96.5 | Very high | 94 Ų | 94 | 36.4 Ų | 36.4 | 36% | 0.355 | 20% | 0.201 | S | C | . | . | trans | -58.7 | 140.3 | -177.1 | -173.2 | -176.9 | 130.3 | 169.3 | 9.3 | 111.7 | I260 Y269 E310 S313 | I260-R263 VanDerWaalsContact O-CB 3.29Å; I260-R263 WeakPolarHBondContact O-CB 3.1Å; I260-R263 PolarHBondContact O-N 3.43Å; R263-Y269 HydrophobicContact CB-CD1 4.31Å; R263-Y269 HydrophobicContact CB-CE1 3.7Å; R263-Y269 HydrophobicContact CG-CE1 4.14Å; R263-Y269 HydrophobicContact CG-CE2 4.21Å; R263-E310 VanDerWaalsContact CD-OE2 3.25Å; R263-E310 WeakPolarHBondContact CD-OE2 3.36Å; R263-E310 IonicContact CZ-OE2 2.82Å; R263-E310 IonicContact NE-OE2 2.93Å; R263-E310 VanDerWaalsContact NH1-CD 3.33Å; R263-E310 IonicContact NH1-OE1 3.65Å; R263-E310 PolarHBondContact NH1-OE1 3.29Å; R263-E310 IonicContact NH1-OE2 3.29Å; R263-E310 PolarHBondContact NH1-OE2 3.22Å; R263-S313 VanDerWaalsContact CZ-OG 3.22Å; R263-S313 PolarHBondContact NH1-OG 3.44Å; R263-S313 PolarHBondContact NH2-OG 3.25Å | ||
| 264 | Y | 95.8 | Very high | 95.2 | Very high | 44 Ų | 44 | 43.9 Ų | 43.9 | 17% | 0.173 | 23% | 0.229 | C | C | . | . | trans | -73.1 | 156.6 | 170.2 | -69.7 | -58.7 | 0 | 0 | 0 | 111.4 | S266 G267 N268 P270 G277 D279 | Y264-S266 PolarHBondContact O-N 3.09Å; Y264-G267 PolarHBondContact O-N 2.8Å; Y264-N268 WeakPolarHBondContact CB-O 3.25Å; Y264-N268 HydrophobicContact CD2-CB 4.26Å; Y264-N268 PolarHBondContact N-O 2.86Å; Y264-P270 HydrophobicContact CE2-CB 4Å; Y264-P270 HydrophobicContact CE2-CG 4.47Å; Y264-G277 VanDerWaalsContact OH-C 3.25Å; Y264-G277 PolarHBondContact OH-O 3.12Å; Y264-D279 WeakPolarHBondContact CB-OD2 3.34Å; Y264-D279 HydrophobicContact CD1-CB 4.22Å; Y264-D279 HydrophobicContact CD2-CB 3.63Å; Y264-D279 HydrophobicContact CE1-CB 4.37Å; Y264-D279 HydrophobicContact CE2-CB 3.8Å; Y264-D279 HydrophobicContact CG-CB 3.85Å | ||
| 265 | P | 94.9 | Very high | 93.6 | Very high | 135 Ų | 135 | 45.5 Ų | 45.5 | 88% | 0.877 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -26.7 | 173.2 | -27.9 | 35.8 | 0 | 0 | 0 | 114.4 | G267 | P265-G267 VanDerWaalsContact C-N 3.27Å; P265-G267 PolarHBondContact O-N 3.47Å |
| 266 | S | 95.3 | Very high | 91.7 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -15 | 177.3 | 70.9 | 0 | 0 | 0 | 0 | 115 | Y264 N268 D279 V317 | Y264-S266 PolarHBondContact O-N 3.09Å; S266-N268 WeakPolarHBondContact OG-CB 3.33Å; S266-N268 PolarHBondContact OG-N 2.9Å; S266-N268 VanDerWaalsContact OG-N 3.12Å; S266-D279 WeakPolarHBondContact CB-OD2 3.42Å; S266-D279 PolarHBondContact OG-OD2 3.19Å; S266-V317 VanDerWaalsContact O-CG2 3.23Å; S266-V317 WeakPolarHBondContact O-CG2 3.42Å |
| 267 | G | 96.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | S | Bend | trans | 98.6 | -15.9 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y264 P265 | Y264-G267 PolarHBondContact O-N 2.8Å; P265-G267 VanDerWaalsContact C-N 3.27Å; P265-G267 PolarHBondContact O-N 3.47Å |
| 268 | N | 97.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | trans | -80.2 | 171.3 | -178.4 | -163.6 | 18.6 | 0 | 0 | 0 | 112.2 | Y264 S266 D279 L281 G287 A288 V317 | Y264-N268 WeakPolarHBondContact CB-O 3.25Å; Y264-N268 HydrophobicContact CD2-CB 4.26Å; Y264-N268 PolarHBondContact N-O 2.86Å; S266-N268 WeakPolarHBondContact OG-CB 3.33Å; S266-N268 PolarHBondContact OG-N 2.9Å; S266-N268 VanDerWaalsContact OG-N 3.12Å; N268-D279 VanDerWaalsContact CB-OD1 3.28Å; N268-D279 WeakPolarHBondContact CB-OD1 3.22Å; N268-D279 PolarHBondContact ND2-OD1 3.27Å; N268-L281 PolarHBondContact ND2-O 3.38Å; N268-L281 PolarHBondContact OD1-O 3.31Å; N268-G287 WeakPolarHBondContact OD1-CA 3.27Å; N268-A288 PolarHBondContact OD1-N 3.34Å; N268-V317 HydrophobicContact CB-CG1 3.95Å; N268-V317 HydrophobicContact CB-CG2 4.45Å | ||
| 269 | Y | 97 | Very high | 89.2 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | trans | -121 | 145.6 | -179.4 | -72.2 | -91 | 0 | 0 | 0 | 113.4 | L259 R263 F291 F295 E310 | L259-Y269 WeakPolarHBondContact O-CE1 3.45Å; R263-Y269 HydrophobicContact CB-CD1 4.31Å; R263-Y269 HydrophobicContact CB-CE1 3.7Å; R263-Y269 HydrophobicContact CG-CE1 4.14Å; R263-Y269 HydrophobicContact CG-CE2 4.21Å; Y269-F291 VanDerWaalsContact CB-CE2 3.45Å; Y269-F291 VanDerWaalsContact CB-CZ 3.47Å; Y269-F291 AromaticContact CD1-CD1 3.63Å; Y269-F291 HydrophobicContact CD1-CD1 3.63Å; Y269-F291 AromaticContact CD1-CE1 3.3Å; Y269-F291 HydrophobicContact CD1-CE1 3.3Å; Y269-F291 HydrophobicContact CD1-CE2 4.49Å; Y269-F291 HydrophobicContact CD1-CG 4.32Å; Y269-F291 AromaticContact CD1-CZ 3.75Å; Y269-F291 HydrophobicContact CD1-CZ 3.75Å; Y269-F291 HydrophobicContact CD2-CB 3.99Å; Y269-F291 AromaticContact CD2-CD1 3.81Å; Y269-F291 HydrophobicContact CD2-CD1 3.81Å; Y269-F291 HydrophobicContact CD2-CD2 4.29Å; Y269-F291 HydrophobicContact CD2-CE1 4.26Å; Y269-F291 AromaticContact CD2-CG 3.79Å; Y269-F291 HydrophobicContact CD2-CG 3.79Å; Y269-F291 AromaticContact CE1-CD1 3.94Å; Y269-F291 HydrophobicContact CE1-CD1 3.94Å; Y269-F291 AromaticContact CE1-CE1 3.87Å; Y269-F291 HydrophobicContact CE1-CE1 3.87Å; Y269-F291 HydrophobicContact CE2-CB 4.31Å; Y269-F291 HydrophobicContact CE2-CD1 4.11Å; Y269-F291 HydrophobicContact CE2-CG 4.35Å; Y269-F291 HydrophobicContact CG-CB 4.47Å; Y269-F291 AromaticContact CG-CD1 3.55Å; Y269-F291 HydrophobicContact CG-CD1 3.55Å; Y269-F291 HydrophobicContact CG-CD2 4.02Å; Y269-F291 AromaticContact CG-CE1 3.53Å; Y269-F291 HydrophobicContact CG-CE1 3.53Å; Y269-F291 AromaticContact CG-CE2 3.99Å; Y269-F291 HydrophobicContact CG-CE2 3.99Å; Y269-F291 AromaticContact CG-CG 3.77Å; Y269-F291 HydrophobicContact CG-CG 3.77Å; Y269-F291 AromaticContact CG-CZ 3.71Å; Y269-F291 HydrophobicContact CG-CZ 3.71Å; Y269-F295 HydrophobicContact CE1-CE2 4.48Å; Y269-F295 HydrophobicContact CE1-CZ 4.18Å; Y269-F295 AromaticContact CE2-CE2 3.69Å; Y269-F295 HydrophobicContact CE2-CE2 3.69Å; Y269-F295 HydrophobicContact CE2-CZ 4.19Å; Y269-F295 AromaticContact CZ-CE2 3.6Å; Y269-F295 AromaticContact CZ-CZ 3.62Å; Y269-F295 WeakPolarHBondContact OH-CE2 3.41Å; Y269-F295 WeakPolarHBondContact OH-CZ 3.27Å; Y269-E310 PolarHBondContact OH-OE2 2.88Å | ||
| 270 | P | 95.7 | Very high | 89 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | trans | -65.6 | 154.2 | 175.6 | 17.8 | -21.9 | 0 | 0 | 0 | 112.3 | L223 L262 Y264 | L223-P270 HydrophobicContact CD1-CB 4.22Å; L223-P270 HydrophobicContact CD1-CG 3.71Å; L262-P270 HydrophobicContact CB-CG 4.28Å; L262-P270 WeakPolarHBondContact O-CD 3.37Å; L262-P270 WeakPolarHBondContact O-CG 3.18Å; Y264-P270 HydrophobicContact CE2-CB 4Å; Y264-P270 HydrophobicContact CE2-CG 4.47Å | ||
| 271 | S | 94.8 | Very high | 88.8 | Confident | 25 Ų | 25 | 61.7 Ų | 61.7 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -69.5 | -36.3 | 174.4 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | Y222 L223 | Y222-S271 CarbonylContact C-O 3.44Å; Y222-S271 WeakPolarHBondContact CA-O 3.22Å; L223-S271 PolarHBondContact N-O 3.12Å |
| 272 | S | 94.9 | Very high | 88.9 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -155.9 | 161.4 | -177.2 | 60.9 | 0 | 0 | 0 | 0 | 111.6 | Y221 V275 | Y221-S272 WeakPolarHBondContact O-CA 3.45Å; Y221-S272 WeakPolarHBondContact O-CB 3.2Å; S272-V275 VanDerWaalsContact OG-CG2 3.23Å; S272-V275 WeakPolarHBondContact OG-CG2 3.22Å |
| 273 | I | 90.8 | Very high | 89 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -66.8 | -37 | -175.6 | -61.9 | -178.8 | 0 | 0 | 0 | 113.4 | M214 Y221 L223 Y258 L262 | M214-I273 HydrophobicContact CE-CD1 3.46Å; M214-I273 VanDerWaalsContact CE-CD1 3.46Å; M214-I273 HydrophobicContact SD-CD1 4.31Å; Y221-I273 PolarHBondContact O-N 2.9Å; Y221-I273 VanDerWaalsContact O-N 3.12Å; L223-I273 HydrophobicContact CD1-CG1 4.33Å; L223-I273 HydrophobicContact CD2-CD1 4.24Å; L223-I273 HydrophobicContact CD2-CG1 3.75Å; L223-I273 HydrophobicContact CG-CG1 4.32Å; Y258-I273 HydrophobicContact CE1-CD1 4.33Å; L262-I273 HydrophobicContact CD1-CG1 4.35Å |
| 274 | R | 70.9 | Confident | 89.1 | Confident | 184 Ų | 184 | 52.3 Ų | 52.3 | 69% | 0.694 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -99.8 | -11.6 | -164.6 | -70.6 | -172.5 | 178.1 | -131.2 | 6.2 | 115.3 | Y221 | Y221-R274 HydrophobicContact CD2-CG 4.09Å; Y221-R274 HydrophobicContact CE2-CG 4.44Å |
| 275 | V | 63.8 | Low | 89.2 | Confident | 81 Ų | 81 | 50.7 Ų | 50.7 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -82.5 | 129.8 | 177 | -179.4 | 0 | 0 | 0 | 0 | 106 | S272 G277 | S272-V275 VanDerWaalsContact OG-CG2 3.23Å; S272-V275 WeakPolarHBondContact OG-CG2 3.22Å; V275-G277 PolarHBondContact O-N 3.12Å |
| 276 | N | 59.4 | Low | 89.3 | Confident | 170 Ų | 170 | 45.6 Ų | 45.6 | 91% | 0.909 | 24% | 0.241 | S | C | * | . | trans | -62.1 | 71.2 | 160.6 | -83.1 | -12.9 | 0 | 0 | 0 | 107.5 | T278 | N276-T278 PolarHBondContact O-N 3.36Š| ||
| 277 | G | 65.6 | Low | 89.3 | Confident | 24 Ų | 24 | 43 Ų | 43 | 25% | 0.247 | 22% | 0.223 | C | C | . | . | trans | -71.8 | 131 | -171.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | Y264 V275 | Y264-G277 VanDerWaalsContact OH-C 3.25Å; Y264-G277 PolarHBondContact OH-O 3.12Å; V275-G277 PolarHBondContact O-N 3.12Å | ||
| 278 | T | 84.4 | Confident | 89.4 | Confident | 84 Ų | 84 | 43 Ų | 43 | 52% | 0.515 | 22% | 0.223 | S | C | . | . | trans | -83.9 | 133.3 | 166.4 | 43.7 | 0 | 0 | 0 | 0 | 107.3 | N276 K280 | N276-T278 PolarHBondContact O-N 3.36Å; T278-K280 VanDerWaalsContact C-N 3.26Å; T278-K280 VanDerWaalsContact CB-CE 3.42Å; T278-K280 PolarHBondContact O-N 3.22Å; T278-K280 WeakPolarHBondContact OG1-CD 3.48Å; T278-K280 WeakPolarHBondContact OG1-CE 3.46Å; T278-K280 PolarHBondContact OG1-NZ 3.29Å | ||
| 279 | D | 93.2 | Very high | 89.5 | Confident | 42 Ų | 42 | 43 Ų | 43 | 23% | 0.225 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -64.3 | 83.3 | 178.1 | 178.8 | -1.8 | 0 | 0 | 0 | 110.7 | Y264 S266 N268 R321 | Y264-D279 WeakPolarHBondContact CB-OD2 3.34Å; Y264-D279 HydrophobicContact CD1-CB 4.22Å; Y264-D279 HydrophobicContact CD2-CB 3.63Å; Y264-D279 HydrophobicContact CE1-CB 4.37Å; Y264-D279 HydrophobicContact CE2-CB 3.8Å; Y264-D279 HydrophobicContact CG-CB 3.85Å; S266-D279 WeakPolarHBondContact CB-OD2 3.42Å; S266-D279 PolarHBondContact OG-OD2 3.19Å; N268-D279 VanDerWaalsContact CB-OD1 3.28Å; N268-D279 WeakPolarHBondContact CB-OD1 3.22Å; N268-D279 PolarHBondContact ND2-OD1 3.27Å; D279-R321 PolarHBondContact O-NH2 3.46Å; D279-R321 IonicContact OD1-CZ 3.52Å; D279-R321 IonicContact OD1-NH1 3.67Å; D279-R321 PolarHBondContact OD1-NH1 3.42Å; D279-R321 IonicContact OD1-NH2 3.52Å; D279-R321 PolarHBondContact OD1-NH2 3.23Å; D279-R321 IonicContact OD2-NH1 3.71Å |
| 280 | K | 92.7 | Very high | 89.5 | Confident | 88 Ų | 88 | 42.9 Ų | 42.9 | 38% | 0.383 | 22% | 0.223 | S | C | . | . | trans | -139.4 | -15.3 | -168 | -67.9 | -174.8 | -177.6 | 153.9 | 0 | 114.7 | R5 T278 | R5-K280 WeakPolarHBondContact CD-O 3.49Å; R5-K280 PolarHBondContact NH1-O 3.09Å; T278-K280 VanDerWaalsContact C-N 3.26Å; T278-K280 VanDerWaalsContact CB-CE 3.42Å; T278-K280 PolarHBondContact O-N 3.22Å; T278-K280 WeakPolarHBondContact OG1-CD 3.48Å; T278-K280 WeakPolarHBondContact OG1-CE 3.46Å; T278-K280 PolarHBondContact OG1-NZ 3.29Å | ||
| 281 | L | 95.1 | Very high | 89.7 | Confident | 42 Ų | 42 | 42.3 Ų | 42.3 | 22% | 0.22 | 22% | 0.219 | C | C | . | . | trans | -99.7 | 115.1 | -176.1 | -67.1 | 169.1 | 0 | 0 | 0 | 108.2 | N268 H283 H286 | N268-L281 PolarHBondContact ND2-O 3.38Å; N268-L281 PolarHBondContact OD1-O 3.31Å; L281-H283 WeakPolarHBondContact CD2-CE1 3.32Å; L281-H286 CarbonylContact C-O 3.59Å; L281-H286 HydrophobicContact CB-CB 4.13Å; L281-H286 WeakPolarHBondContact CB-O 3.33Å; L281-H286 HydrophobicContact CD1-CB 3.85Å | ||
| 282 | V | 97.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | trans | -120.7 | 65 | 174.3 | -173.3 | 0 | 0 | 0 | 0 | 106.7 | P289 V317 I318 R321 N337 | V282-P289 VanDerWaalsContact C-CG 3.47Å; V282-P289 HydrophobicContact CG1-CG 3.81Å; V282-V317 HydrophobicContact CG1-CG1 4.31Å; V282-V317 HydrophobicContact CG2-CG1 4.24Å; V282-I318 HydrophobicContact CG1-CG1 4.36Å; V282-R321 HydrophobicContact CG2-CB 3.96Å; V282-N337 PolarHBondContact O-ND2 3.06Å; V282-N337 PolarHBondContact O-OD1 3.19Å | ||
| 283 | H | 97.5 | Very high | 90 | Very high | 12 Ų | 12 | 42.2 Ų | 42.2 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -123.8 | 157.6 | -176.3 | -55.4 | 161.6 | 0 | 0 | 0 | 110.3 | L281 C285 H286 P289 L324 H332 | L281-H283 WeakPolarHBondContact CD2-CE1 3.32Å; H283-C285 VanDerWaalsContact C-N 3.3Å; H283-C285 PolarHBondContact O-N 3.01Å; H283-H286 PolarHBondContact N-O 2.93Å; H283-H286 CarbonylContact O-C 3.59Å; H283-H286 PolarHBondContact O-N 2.94Å; H283-P289 WeakPolarHBondContact O-CD 3.29Å; H283-L324 VanDerWaalsContact CD2-CD1 3.45Å; H283-L324 WeakPolarHBondContact CD2-CD1 3.15Å; H283-H332 HydrophobicContact CB-CB 3.64Å; H283-H332 WeakPolarHBondContact ND1-CB 3.42Å |
| 284 | W | 98.2 | Very high | 90.4 | Very high | 29 Ų | 29 | 39.3 Ų | 39.3 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -59.4 | -42.9 | 169 | 167.8 | 82.8 | 0 | 0 | 0 | 111.4 | L114 L161 L162 A225 A226 H286 G290 H293 C331 F382 | L114-W284 HydrophobicContact CD1-CH2 4.11Å; L161-W284 HydrophobicContact CD2-CH2 3.95Å; L161-W284 HydrophobicContact CD2-CZ2 3.67Å; L162-W284 HydrophobicContact CD2-CH2 4.19Å; L162-W284 HydrophobicContact CD2-CZ3 4.45Å; A225-W284 HydrophobicContact CB-CD2 4.46Å; A225-W284 HydrophobicContact CB-CZ2 4.35Å; A225-W284 WeakPolarHBondContact CB-O 3.49Å; A226-W284 HydrophobicContact CB-CE3 4.45Å; A226-W284 HydrophobicContact CB-CH2 4.26Å; A226-W284 HydrophobicContact CB-CZ3 3.9Å; W284-H286 VanDerWaalsContact C-N 3.32Å; W284-H286 PolarHBondContact O-N 2.73Å; W284-G290 WeakPolarHBondContact O-CA 3.1Å; W284-H293 AromaticContact CD1-NE2 3.83Å; W284-C331 WeakPolarHBondContact CB-O 3.38Å; W284-C331 HydrophobicContact CE3-CB 4.36Å; W284-C331 PolarHBondContact N-O 2.89Å; W284-F382 AromaticContact CH2-CE1 3.98Å; W284-F382 HydrophobicContact CH2-CE1 3.98Å; W284-F382 HydrophobicContact CZ3-CD1 4.23Å; W284-F382 AromaticContact CZ3-CE1 3.93Å; W284-F382 HydrophobicContact CZ3-CE1 3.93Å |
| 285 | C | 97.5 | Very high | 91.7 | Very high | 10 Ų | 10 | 30.6 Ų | 30.6 | 7% | 0.068 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -63.5 | -36.5 | 179.2 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | G224 A225 A226 H283 C331 | G224-C285 CarbonylContact C-O 3.53Å; G224-C285 WeakPolarHBondContact CA-O 3.13Å; A225-C285 PolarHBondContact N-O 3.44Å; A226-C285 HydrophobicContact CB-CB 3.54Å; H283-C285 VanDerWaalsContact C-N 3.3Å; H283-C285 PolarHBondContact O-N 3.01Å; C285-C331 PolarHBondContact N-O 2.97Å |
| 286 | H | 96.1 | Very high | 93.4 | Very high | 28 Ų | 28 | 26.7 Ų | 26.7 | 13% | 0.13 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -148.3 | 119 | -177.5 | -56.6 | -66.4 | 0 | 0 | 0 | 111 | Y222 L281 H283 W284 | Y222-H286 AromaticContact CD1-CE1 3.53Å; Y222-H286 AromaticContact CE1-CE1 3.8Å; L281-H286 CarbonylContact C-O 3.59Å; L281-H286 HydrophobicContact CB-CB 4.13Å; L281-H286 WeakPolarHBondContact CB-O 3.33Å; L281-H286 HydrophobicContact CD1-CB 3.85Å; H283-H286 PolarHBondContact N-O 2.93Å; H283-H286 CarbonylContact O-C 3.59Å; H283-H286 PolarHBondContact O-N 2.94Å; W284-H286 VanDerWaalsContact C-N 3.32Å; W284-H286 PolarHBondContact O-N 2.73Å |
| 287 | G | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 115.7 | -173.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N268 P289 G290 F291 | N268-G287 WeakPolarHBondContact OD1-CA 3.27Å; G287-P289 VanDerWaalsContact C-N 3.33Å; G287-G290 PolarHBondContact O-N 3.46Å; G287-F291 WeakPolarHBondContact O-CD2 3.44Å; G287-F291 PolarHBondContact O-N 3.22Å |
| 288 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -46.5 | -42.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N268 G290 F291 I292 C314 V317 I318 | N268-A288 PolarHBondContact OD1-N 3.34Å; A288-G290 PolarHBondContact O-N 3.1Å; A288-G290 VanDerWaalsContact O-N 3.17Å; A288-F291 PolarHBondContact O-N 2.96Å; A288-F291 VanDerWaalsContact O-N 3.15Å; A288-I292 PolarHBondContact O-N 3.32Å; A288-C314 HydrophobicContact CB-CB 3.91Å; A288-V317 HydrophobicContact CB-CB 4.13Å; A288-V317 HydrophobicContact CB-CG1 3.99Å; A288-I318 HydrophobicContact CB-CG1 4.3Å |
| 289 | P | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.2 | -25.2 | -179.7 | -13.5 | 21 | 0 | 0 | 0 | 114.8 | V282 H283 G287 I292 H293 I318 N337 | V282-P289 VanDerWaalsContact C-CG 3.47Å; V282-P289 HydrophobicContact CG1-CG 3.81Å; H283-P289 WeakPolarHBondContact O-CD 3.29Å; G287-P289 VanDerWaalsContact C-N 3.33Å; P289-I292 WeakPolarHBondContact O-CG2 3.48Å; P289-H293 PolarHBondContact O-CE1 3.04Å; P289-I318 HydrophobicContact CB-CD1 3.98Å; P289-I318 HydrophobicContact CB-CG1 4.33Å; P289-I318 HydrophobicContact CG-CD1 4.08Å; P289-I318 HydrophobicContact CG-CG1 3.88Å; P289-N337 VanDerWaalsContact CB-OD1 3.26Å; P289-N337 WeakPolarHBondContact CB-OD1 3.08Å; P289-N337 WeakPolarHBondContact CG-OD1 3.49Å |
| 290 | G | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -85.6 | -36.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | W284 G287 A288 | W284-G290 WeakPolarHBondContact O-CA 3.1Å; G287-G290 PolarHBondContact O-N 3.46Å; A288-G290 PolarHBondContact O-N 3.1Å; A288-G290 VanDerWaalsContact O-N 3.17Å |
| 291 | F | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -70.8 | -38.1 | -176.7 | -88.3 | -110.4 | 0 | 0 | 0 | 112.9 | L223 A230 L259 Y269 G287 A288 H293 M294 F295 | L223-F291 HydrophobicContact CB-CE2 4.14Å; L223-F291 HydrophobicContact CB-CZ 3.62Å; A230-F291 HydrophobicContact CB-CD1 4.4Å; A230-F291 HydrophobicContact CB-CD2 4.2Å; A230-F291 HydrophobicContact CB-CE2 4.4Å; A230-F291 HydrophobicContact CB-CG 4.24Å; L259-F291 HydrophobicContact CB-CE1 4.34Å; L259-F291 HydrophobicContact CD1-CE1 4.22Å; Y269-F291 VanDerWaalsContact CB-CE2 3.45Å; Y269-F291 VanDerWaalsContact CB-CZ 3.47Å; Y269-F291 AromaticContact CD1-CD1 3.63Å; Y269-F291 HydrophobicContact CD1-CD1 3.63Å; Y269-F291 AromaticContact CD1-CE1 3.3Å; Y269-F291 HydrophobicContact CD1-CE1 3.3Å; Y269-F291 HydrophobicContact CD1-CE2 4.49Å; Y269-F291 HydrophobicContact CD1-CG 4.32Å; Y269-F291 AromaticContact CD1-CZ 3.75Å; Y269-F291 HydrophobicContact CD1-CZ 3.75Å; Y269-F291 HydrophobicContact CD2-CB 3.99Å; Y269-F291 AromaticContact CD2-CD1 3.81Å; Y269-F291 HydrophobicContact CD2-CD1 3.81Å; Y269-F291 HydrophobicContact CD2-CD2 4.29Å; Y269-F291 HydrophobicContact CD2-CE1 4.26Å; Y269-F291 AromaticContact CD2-CG 3.79Å; Y269-F291 HydrophobicContact CD2-CG 3.79Å; Y269-F291 AromaticContact CE1-CD1 3.94Å; Y269-F291 HydrophobicContact CE1-CD1 3.94Å; Y269-F291 AromaticContact CE1-CE1 3.87Å; Y269-F291 HydrophobicContact CE1-CE1 3.87Å; Y269-F291 HydrophobicContact CE2-CB 4.31Å; Y269-F291 HydrophobicContact CE2-CD1 4.11Å; Y269-F291 HydrophobicContact CE2-CG 4.35Å; Y269-F291 HydrophobicContact CG-CB 4.47Å; Y269-F291 AromaticContact CG-CD1 3.55Å; Y269-F291 HydrophobicContact CG-CD1 3.55Å; Y269-F291 HydrophobicContact CG-CD2 4.02Å; Y269-F291 AromaticContact CG-CE1 3.53Å; Y269-F291 HydrophobicContact CG-CE1 3.53Å; Y269-F291 AromaticContact CG-CE2 3.99Å; Y269-F291 HydrophobicContact CG-CE2 3.99Å; Y269-F291 AromaticContact CG-CG 3.77Å; Y269-F291 HydrophobicContact CG-CG 3.77Å; Y269-F291 AromaticContact CG-CZ 3.71Å; Y269-F291 HydrophobicContact CG-CZ 3.71Å; G287-F291 WeakPolarHBondContact O-CD2 3.44Å; G287-F291 PolarHBondContact O-N 3.22Å; A288-F291 PolarHBondContact O-N 2.96Å; A288-F291 VanDerWaalsContact O-N 3.15Å; F291-H293 PolarHBondContact O-N 2.98Å; F291-H293 VanDerWaalsContact O-N 3.09Å; F291-M294 HydrophobicContact CD1-CE 4.12Å; F291-M294 WeakPolarHBondContact O-CB 3.45Å; F291-M294 PolarHBondContact O-N 2.74Å; F291-F295 HydrophobicContact CB-CD2 4.22Å; F291-F295 HydrophobicContact CB-CE2 3.82Å; F291-F295 AromaticContact CD1-CE2 3.93Å; F291-F295 HydrophobicContact CD1-CE2 3.93Å; F291-F295 HydrophobicContact CD1-CZ 4.02Å; F291-F295 HydrophobicContact CG-CE2 4.39Å; F291-F295 WeakPolarHBondContact O-CD2 3.45Å; F291-F295 PolarHBondContact O-N 3.47Å; F291-F295 VanDerWaalsContact O-N 3.09Å |
| 292 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -53.4 | -35 | -178.6 | -168.4 | 174.8 | 0 | 0 | 0 | 112.9 | A288 P289 F295 I296 A311 C314 A315 I318 A340 L344 | A288-I292 PolarHBondContact O-N 3.32Å; P289-I292 WeakPolarHBondContact O-CG2 3.48Å; I292-F295 PolarHBondContact O-N 3.45Å; I292-I296 HydrophobicContact CD1-CD1 4.38Å; I292-I296 HydrophobicContact CG1-CD1 3.87Å; I292-I296 HydrophobicContact CG1-CG1 4.34Å; I292-I296 WeakPolarHBondContact O-CB 3.26Å; I292-I296 VanDerWaalsContact O-CG1 3.32Å; I292-I296 WeakPolarHBondContact O-CG1 3.39Å; I292-I296 PolarHBondContact O-N 3.04Å; I292-A311 VanDerWaalsContact CD1-O 3.3Å; I292-A311 WeakPolarHBondContact CD1-O 3.09Å; I292-A311 HydrophobicContact CG1-CB 3.92Å; I292-C314 HydrophobicContact CB-CB 3.73Å; I292-C314 HydrophobicContact CD1-CB 4.15Å; I292-C314 HydrophobicContact CG1-CB 4.04Å; I292-A315 HydrophobicContact CD1-CB 4.09Å; I292-I318 HydrophobicContact CG2-CD1 4.47Å; I292-A340 HydrophobicContact CD1-CB 4.08Å; I292-A340 HydrophobicContact CG2-CB 3.63Å; I292-L344 HydrophobicContact CD1-CB 4.48Å; I292-L344 HydrophobicContact CD1-CD2 4.33Å |
| 293 | H | 98.5 | Very high | 98.1 | Very high | 28 Ų | 28 | 23.4 Ų | 23.4 | 13% | 0.13 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.1 | -42 | 178.5 | -59.2 | 0.6 | 0 | 0 | 0 | 112 | F234 W284 P289 F291 Q297 M343 | F234-H293 HydrophobicContact CD2-CB 4.11Å; F234-H293 VanDerWaalsContact CD2-O 3.3Å; F234-H293 WeakPolarHBondContact CD2-O 3.08Å; F234-H293 HydrophobicContact CE2-CB 4.17Å; W284-H293 AromaticContact CD1-NE2 3.83Å; P289-H293 PolarHBondContact O-CE1 3.04Å; F291-H293 PolarHBondContact O-N 2.98Å; F291-H293 VanDerWaalsContact O-N 3.09Å; H293-Q297 WeakPolarHBondContact O-CB 3.49Å; H293-Q297 PolarHBondContact O-N 2.93Å; H293-Q297 VanDerWaalsContact O-N 3.08Å; H293-M343 HydrophobicContact CB-CE 3.99Å; H293-M343 HydrophobicContact CB-SD 3.78Å; H293-M343 VanDerWaalsContact CG-SD 3.57Å; H293-M343 PolarHBondContact ND1-SD 2.79Å; H293-M343 VanDerWaalsContact ND1-SD 3.38Å; H293-M343 WeakPolarHBondContact O-CE 3.47Å |
| 294 | M | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.2 | -46.1 | 174.8 | 179.7 | -165.3 | 68.1 | 0 | 0 | 110.5 | A230 F233 F234 M237 I256 L259 F291 Q297 A298 | A230-M294 HydrophobicContact CB-CB 4.38Å; A230-M294 HydrophobicContact CB-SD 4.07Å; F233-M294 HydrophobicContact CB-CG 4.17Å; F233-M294 HydrophobicContact CB-SD 4Å; F233-M294 HydrophobicContact CD2-SD 3.9Å; F233-M294 HydrophobicContact CG-SD 4.48Å; F234-M294 HydrophobicContact CB-CB 4.39Å; M237-M294 HydrophobicContact CE-CG 3.84Å; M237-M294 WeakPolarHBondContact CE-O 3.26Å; I256-M294 HydrophobicContact CD1-CG 4.11Å; I256-M294 HydrophobicContact CD1-SD 4.28Å; I256-M294 HydrophobicContact CG1-CE 4.39Å; I256-M294 HydrophobicContact CG1-CG 4.3Å; I256-M294 HydrophobicContact CG1-SD 3.8Å; I256-M294 HydrophobicContact CG2-CE 3.99Å; I256-M294 HydrophobicContact CG2-SD 4.5Å; L259-M294 HydrophobicContact CD1-CE 3.91Å; L259-M294 HydrophobicContact CD1-SD 3.83Å; F291-M294 HydrophobicContact CD1-CE 4.12Å; F291-M294 WeakPolarHBondContact O-CB 3.45Å; F291-M294 PolarHBondContact O-N 2.74Å; M294-Q297 PolarHBondContact O-N 3.33Å; M294-A298 WeakPolarHBondContact O-CB 3.28Å; M294-A298 PolarHBondContact O-N 3.17Å |
| 295 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.5 | -43.9 | -179.5 | -68.6 | -49.7 | 0 | 0 | 0 | 113.1 | I256 I260 Y269 F291 I292 Q297 A298 Y299 Y307 E310 A311 | I256-F295 HydrophobicContact CG2-CD1 4.3Å; I256-F295 HydrophobicContact CG2-CE1 4.06Å; I260-F295 HydrophobicContact CD1-CE1 4.14Å; I260-F295 HydrophobicContact CG1-CE1 3.68Å; I260-F295 HydrophobicContact CG1-CZ 4.06Å; Y269-F295 HydrophobicContact CE1-CE2 4.48Å; Y269-F295 HydrophobicContact CE1-CZ 4.18Å; Y269-F295 AromaticContact CE2-CE2 3.69Å; Y269-F295 HydrophobicContact CE2-CE2 3.69Å; Y269-F295 HydrophobicContact CE2-CZ 4.19Å; Y269-F295 AromaticContact CZ-CE2 3.6Å; Y269-F295 AromaticContact CZ-CZ 3.62Å; Y269-F295 WeakPolarHBondContact OH-CE2 3.41Å; Y269-F295 WeakPolarHBondContact OH-CZ 3.27Å; F291-F295 HydrophobicContact CB-CD2 4.22Å; F291-F295 HydrophobicContact CB-CE2 3.82Å; F291-F295 AromaticContact CD1-CE2 3.93Å; F291-F295 HydrophobicContact CD1-CE2 3.93Å; F291-F295 HydrophobicContact CD1-CZ 4.02Å; F291-F295 HydrophobicContact CG-CE2 4.39Å; F291-F295 WeakPolarHBondContact O-CD2 3.45Å; F291-F295 PolarHBondContact O-N 3.47Å; F291-F295 VanDerWaalsContact O-N 3.09Å; I292-F295 PolarHBondContact O-N 3.45Å; F295-Q297 VanDerWaalsContact C-N 3.29Å; F295-Q297 PolarHBondContact O-N 3.03Å; F295-A298 PolarHBondContact O-N 3.38Å; F295-Y299 PolarHBondContact O-N 3.35Å; F295-Y307 WeakPolarHBondContact CB-O 3.44Å; F295-Y307 HydrophobicContact CD1-CD1 4.45Å; F295-E310 HydrophobicContact CD1-CB 4.06Å; F295-E310 HydrophobicContact CD2-CB 3.88Å; F295-E310 HydrophobicContact CE1-CB 4.15Å; F295-E310 HydrophobicContact CE2-CB 3.95Å; F295-E310 HydrophobicContact CG-CB 3.96Å; F295-E310 HydrophobicContact CZ-CB 4.1Å; F295-A311 HydrophobicContact CB-CB 4.02Å |
| 296 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.2 | -43.1 | 174 | -71.6 | 168.2 | 0 | 0 | 0 | 110.8 | I292 Y299 K300 A311 M343 L344 L347 | I292-I296 HydrophobicContact CD1-CD1 4.38Å; I292-I296 HydrophobicContact CG1-CD1 3.87Å; I292-I296 HydrophobicContact CG1-CG1 4.34Å; I292-I296 WeakPolarHBondContact O-CB 3.26Å; I292-I296 VanDerWaalsContact O-CG1 3.32Å; I292-I296 WeakPolarHBondContact O-CG1 3.39Å; I292-I296 PolarHBondContact O-N 3.04Å; I296-Y299 PolarHBondContact O-N 2.9Å; I296-K300 WeakPolarHBondContact O-CG 3.27Å; I296-K300 PolarHBondContact O-N 3.36Å; I296-K300 VanDerWaalsContact O-N 3.12Å; I296-A311 HydrophobicContact CG1-CB 3.85Å; I296-M343 HydrophobicContact CB-CE 3.86Å; I296-M343 HydrophobicContact CD1-CB 3.99Å; I296-M343 HydrophobicContact CD1-CE 4.41Å; I296-M343 HydrophobicContact CD1-CG 3.71Å; I296-M343 HydrophobicContact CD1-SD 4.14Å; I296-M343 HydrophobicContact CG2-CE 3.66Å; I296-M343 HydrophobicContact CG2-CG 4.22Å; I296-L344 HydrophobicContact CD1-CB 4.04Å; I296-L344 HydrophobicContact CD1-CD1 4.11Å; I296-L344 HydrophobicContact CG1-CD1 4.18Å; I296-L347 HydrophobicContact CB-CD2 4.49Å; I296-L347 HydrophobicContact CG1-CD2 4.24Å; I296-L347 HydrophobicContact CG2-CB 4.3Å; I296-L347 HydrophobicContact CG2-CD2 4.06Å |
| 297 | Q | 98.4 | Very high | 98.3 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 10% | 0.098 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.6 | -37.9 | 177.9 | -174.1 | 60.8 | 27.5 | 0 | 0 | 112 | F234 M237 R238 H293 M294 F295 K300 I301 | F234-Q297 HydrophobicContact CD2-CB 3.73Å; F234-Q297 HydrophobicContact CD2-CG 4.2Å; F234-Q297 HydrophobicContact CE2-CB 3.88Å; F234-Q297 HydrophobicContact CE2-CG 4.31Å; M237-Q297 HydrophobicContact CB-CG 3.63Å; M237-Q297 HydrophobicContact CE-CB 3.95Å; M237-Q297 HydrophobicContact CE-CG 3.97Å; M237-Q297 PolarHBondContact O-NE2 3.09Å; M237-Q297 HydrophobicContact SD-CG 4.25Å; R238-Q297 HydrophobicContact CG-CG 4.3Å; H293-Q297 WeakPolarHBondContact O-CB 3.49Å; H293-Q297 PolarHBondContact O-N 2.93Å; H293-Q297 VanDerWaalsContact O-N 3.08Å; M294-Q297 PolarHBondContact O-N 3.33Å; F295-Q297 VanDerWaalsContact C-N 3.29Å; F295-Q297 PolarHBondContact O-N 3.03Å; Q297-K300 PolarHBondContact O-N 3.15Å; Q297-I301 VanDerWaalsContact O-CG1 3.29Å; Q297-I301 WeakPolarHBondContact O-CG1 3.25Å; Q297-I301 PolarHBondContact O-N 3.47Å |
| 298 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.8 | -45.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | M237 I256 M294 F295 K300 I301 Y302 Y307 | M237-A298 HydrophobicContact CE-CB 4.19Å; M237-A298 HydrophobicContact SD-CB 4.04Å; I256-A298 HydrophobicContact CD1-CB 4.01Å; M294-A298 WeakPolarHBondContact O-CB 3.28Å; M294-A298 PolarHBondContact O-N 3.17Å; F295-A298 PolarHBondContact O-N 3.38Å; A298-K300 VanDerWaalsContact C-N 3.33Å; A298-K300 PolarHBondContact O-N 3.14Å; A298-I301 PolarHBondContact O-N 3.27Å; A298-I301 VanDerWaalsContact O-N 3.1Å; A298-Y302 HydrophobicContact CB-CD2 4.04Å; A298-Y302 HydrophobicContact CB-CE2 4.31Å; A298-Y302 WeakPolarHBondContact O-CB 3.44Å; A298-Y302 WeakPolarHBondContact O-CD2 3.37Å; A298-Y302 PolarHBondContact O-N 3.09Å; A298-Y307 HydrophobicContact CB-CD1 4.32Å; A298-Y307 HydrophobicContact CB-CD2 3.68Å; A298-Y307 HydrophobicContact CB-CE2 4.06Å; A298-Y307 HydrophobicContact CB-CG 3.84Å |
| 299 | Y | 98.6 | Very high | 98.3 | Very high | 52 Ų | 52 | 37.9 Ų | 37.9 | 20% | 0.204 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.7 | -47.2 | 174.3 | 178.1 | -107.8 | 0 | 0 | 0 | 111.6 | F295 I296 I301 D303 K304 L308 L347 | F295-Y299 PolarHBondContact O-N 3.35Å; I296-Y299 PolarHBondContact O-N 2.9Å; Y299-I301 PolarHBondContact O-N 3.02Å; Y299-D303 VanDerWaalsContact O-CA 3.26Å; Y299-D303 WeakPolarHBondContact O-CA 3.4Å; Y299-D303 PolarHBondContact O-N 2.97Å; Y299-K304 WeakPolarHBondContact CD2-O 3.3Å; Y299-L308 HydrophobicContact CD2-CB 3.75Å; Y299-L308 HydrophobicContact CE1-CD2 4.28Å; Y299-L308 HydrophobicContact CE2-CB 3.97Å; Y299-L308 HydrophobicContact CE2-CD2 4.22Å; Y299-L308 HydrophobicContact CG-CB 4.05Å; Y299-L347 HydrophobicContact CD1-CD1 3.77Å; Y299-L347 HydrophobicContact CD1-CD2 3.62Å; Y299-L347 HydrophobicContact CD1-CG 4.2Å; Y299-L347 HydrophobicContact CE1-CD1 3.99Å; Y299-L347 HydrophobicContact CE1-CD2 4.13Å; Y299-L347 HydrophobicContact CE1-CG 4.37Å; Y299-L347 HydrophobicContact CG-CD2 4.5Å |
| 300 | K | 97.7 | Very high | 98.4 | Very high | 109 Ų | 109 | 38.8 Ų | 38.8 | 47% | 0.474 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.1 | -27.4 | 177.5 | -72.1 | 179.2 | 179.2 | -174.3 | 0 | 114.6 | I296 Q297 A298 L347 | I296-K300 WeakPolarHBondContact O-CG 3.27Å; I296-K300 PolarHBondContact O-N 3.36Å; I296-K300 VanDerWaalsContact O-N 3.12Å; Q297-K300 PolarHBondContact O-N 3.15Å; A298-K300 VanDerWaalsContact C-N 3.33Å; A298-K300 PolarHBondContact O-N 3.14Å; K300-L347 HydrophobicContact CD-CD1 4.4Å; K300-L347 HydrophobicContact CG-CD1 3.89Å |
| 301 | I | 97.6 | Very high | 98.4 | Very high | 37 Ų | 37 | 38.7 Ų | 38.7 | 19% | 0.19 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -95.2 | -40.8 | -175.5 | -65.5 | -70 | 0 | 0 | 0 | 112.1 | F242 S243 Q297 A298 Y299 | F242-I301 HydrophobicContact CD1-CG2 4.37Å; F242-I301 HydrophobicContact CE1-CG2 4.12Å; S243-I301 VanDerWaalsContact OG-CD1 3.3Å; S243-I301 WeakPolarHBondContact OG-CD1 3.4Å; Q297-I301 VanDerWaalsContact O-CG1 3.29Å; Q297-I301 WeakPolarHBondContact O-CG1 3.25Å; Q297-I301 PolarHBondContact O-N 3.47Å; A298-I301 PolarHBondContact O-N 3.27Å; A298-I301 VanDerWaalsContact O-N 3.1Å; Y299-I301 PolarHBondContact O-N 3.02Å |
| 302 | Y | 97.7 | Very high | 98.4 | Very high | 35 Ų | 35 | 41 Ų | 41 | 14% | 0.137 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -105.9 | -12.8 | -170.9 | -58.4 | -70.1 | 0 | 0 | 0 | 113.6 | M237 K249 K253 A298 K304 Y307 | M237-Y302 HydrophobicContact SD-CE2 3.89Å; K249-Y302 HydrophobicContact CB-CE1 4.12Å; K249-Y302 HydrophobicContact CG-CE1 4.46Å; K249-Y302 PolarHBondContact O-OH 3.08Å; K253-Y302 HydrophobicContact CB-CD1 4.4Å; K253-Y302 HydrophobicContact CB-CE1 3.72Å; K253-Y302 HydrophobicContact CB-CE2 4.29Å; K253-Y302 HydrophobicContact CD-CD1 4.13Å; K253-Y302 HydrophobicContact CD-CE1 4.18Å; K253-Y302 HydrophobicContact CG-CD1 4.17Å; K253-Y302 HydrophobicContact CG-CE1 3.99Å; K253-Y302 HydrophobicContact CG-CE2 4.46Å; K253-Y302 HydrophobicContact CG-CG 4.47Å; K253-Y302 PolarHBondContact N-OH 2.74Å; A298-Y302 HydrophobicContact CB-CD2 4.04Å; A298-Y302 HydrophobicContact CB-CE2 4.31Å; A298-Y302 WeakPolarHBondContact O-CB 3.44Å; A298-Y302 WeakPolarHBondContact O-CD2 3.37Å; A298-Y302 PolarHBondContact O-N 3.09Å; Y302-K304 VanDerWaalsContact C-N 3.28Å; Y302-K304 PolarHBondContact O-N 2.91Å; Y302-Y307 HydrophobicContact CD2-CD2 4.3Å; Y302-Y307 AromaticContact CD2-CE2 3.66Å; Y302-Y307 HydrophobicContact CD2-CE2 3.66Å; Y302-Y307 AromaticContact CG-CE2 3.99Å; Y302-Y307 HydrophobicContact CG-CE2 3.99Å |
| 303 | D | 97.5 | Very high | 98.4 | Very high | 129 Ų | 129 | 41.8 Ų | 41.8 | 69% | 0.69 | 20% | 0.2 | S | C | * | . | trans | 52 | 43.7 | 178.9 | -162.8 | 30.3 | 0 | 0 | 0 | 113.4 | Y299 | Y299-D303 VanDerWaalsContact O-CA 3.26Å; Y299-D303 WeakPolarHBondContact O-CA 3.4Å; Y299-D303 PolarHBondContact O-N 2.97Å | ||
| 304 | K | 98.1 | Very high | 98.4 | Very high | 79 Ų | 79 | 40.5 Ų | 40.5 | 34% | 0.343 | 19% | 0.194 | S | C | . | . | trans | -108.1 | 119.3 | 178.6 | -67.3 | -168.1 | 172.8 | -156.5 | 0 | 111.1 | Y299 Y302 E306 Y307 | Y299-K304 WeakPolarHBondContact CD2-O 3.3Å; Y302-K304 VanDerWaalsContact C-N 3.28Å; Y302-K304 PolarHBondContact O-N 2.91Å; K304-E306 PolarHBondContact O-N 2.82Å; K304-E306 VanDerWaalsContact O-N 3.09Å; K304-Y307 HydrophobicContact CB-CD2 3.82Å; K304-Y307 HydrophobicContact CB-CE2 3.93Å; K304-Y307 HydrophobicContact CD-CE2 3.99Å; K304-Y307 HydrophobicContact CG-CE2 4.25Å; K304-Y307 PolarHBondContact O-N 3.08Å | ||
| 305 | Q | 98.2 | Very high | 98.4 | Very high | 99 Ų | 99 | 40.5 Ų | 40.5 | 46% | 0.463 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -51.4 | -36.6 | -179.6 | -173.3 | 57.2 | 43.1 | 0 | 0 | 113.4 | Y307 L308 D309 | Q305-Y307 PolarHBondContact O-N 3.1Å; Q305-Y307 VanDerWaalsContact O-N 3.16Å; Q305-L308 WeakPolarHBondContact O-CA 3.48Å; Q305-L308 WeakPolarHBondContact O-CB 3.36Å; Q305-L308 PolarHBondContact O-N 3.05Å; Q305-D309 PolarHBondContact NE2-OD1 2.93Å; Q305-D309 VanDerWaalsContact O-CG 3.32Å; Q305-D309 PolarHBondContact O-N 3.45Å |
| 306 | E | 98.1 | Very high | 98.3 | Very high | 106 Ų | 106 | 43.6 Ų | 43.6 | 50% | 0.495 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -54.4 | -35.7 | 177.9 | -167.3 | 176.2 | -166.1 | 0 | 0 | 113.2 | K304 D309 E310 | K304-E306 PolarHBondContact O-N 2.82Å; K304-E306 VanDerWaalsContact O-N 3.09Å; E306-D309 PolarHBondContact O-N 2.9Å; E306-E310 WeakPolarHBondContact O-CG 3.39Å; E306-E310 PolarHBondContact O-N 2.99Å |
| 307 | Y | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.9 | -34.9 | 175.7 | -60.1 | -37.6 | 0 | 0 | 0 | 112.5 | K253 I256 D257 I260 F295 A298 Y302 K304 Q305 A311 | K253-Y307 VanDerWaalsContact CG-OH 3.28Å; K253-Y307 WeakPolarHBondContact CG-OH 3.42Å; I256-Y307 HydrophobicContact CG2-CD1 4.22Å; I256-Y307 HydrophobicContact CG2-CE1 3.76Å; D257-Y307 WeakPolarHBondContact OD1-CE1 3.3Å; D257-Y307 PolarHBondContact OD1-OH 3.38Å; I260-Y307 HydrophobicContact CD1-CD1 3.97Å; I260-Y307 HydrophobicContact CD1-CE1 3.9Å; F295-Y307 WeakPolarHBondContact CB-O 3.44Å; F295-Y307 HydrophobicContact CD1-CD1 4.45Å; A298-Y307 HydrophobicContact CB-CD1 4.32Å; A298-Y307 HydrophobicContact CB-CD2 3.68Å; A298-Y307 HydrophobicContact CB-CE2 4.06Å; A298-Y307 HydrophobicContact CB-CG 3.84Å; Y302-Y307 HydrophobicContact CD2-CD2 4.3Å; Y302-Y307 AromaticContact CD2-CE2 3.66Å; Y302-Y307 HydrophobicContact CD2-CE2 3.66Å; Y302-Y307 AromaticContact CG-CE2 3.99Å; Y302-Y307 HydrophobicContact CG-CE2 3.99Å; K304-Y307 HydrophobicContact CB-CD2 3.82Å; K304-Y307 HydrophobicContact CB-CE2 3.93Å; K304-Y307 HydrophobicContact CD-CE2 3.99Å; K304-Y307 HydrophobicContact CG-CE2 4.25Å; K304-Y307 PolarHBondContact O-N 3.08Å; Q305-Y307 PolarHBondContact O-N 3.1Å; Q305-Y307 VanDerWaalsContact O-N 3.16Å; Y307-A311 PolarHBondContact O-N 3.3Å; Y307-A311 VanDerWaalsContact O-N 3.1Å |
| 308 | L | 98.6 | Very high | 98.3 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 9% | 0.094 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.4 | -42.6 | 173.4 | 176.5 | 55.3 | 0 | 0 | 0 | 110.3 | Y299 Q305 E310 A311 I312 L344 L347 T348 | Y299-L308 HydrophobicContact CD2-CB 3.75Å; Y299-L308 HydrophobicContact CE1-CD2 4.28Å; Y299-L308 HydrophobicContact CE2-CB 3.97Å; Y299-L308 HydrophobicContact CE2-CD2 4.22Å; Y299-L308 HydrophobicContact CG-CB 4.05Å; Q305-L308 WeakPolarHBondContact O-CA 3.48Å; Q305-L308 WeakPolarHBondContact O-CB 3.36Å; Q305-L308 PolarHBondContact O-N 3.05Å; L308-E310 VanDerWaalsContact C-N 3.32Å; L308-E310 PolarHBondContact O-N 2.88Å; L308-A311 WeakPolarHBondContact O-CB 3.38Å; L308-A311 PolarHBondContact O-N 2.62Å; L308-A311 VanDerWaalsContact O-N 3.08Å; L308-I312 HydrophobicContact CD1-CD1 4.14Å; L308-I312 HydrophobicContact CD1-CG1 4.2Å; L308-I312 HydrophobicContact CG-CD1 4Å; L308-I312 HydrophobicContact CG-CG1 4.5Å; L308-I312 VanDerWaalsContact O-CG1 3.3Å; L308-I312 WeakPolarHBondContact O-CG1 3.23Å; L308-I312 PolarHBondContact O-N 2.8Å; L308-L344 HydrophobicContact CD1-CD1 4.04Å; L308-L347 HydrophobicContact CD1-CD2 3.84Å; L308-T348 HydrophobicContact CD1-CG2 4.02Å |
| 309 | D | 98.5 | Very high | 98.3 | Very high | 81 Ų | 81 | 44.1 Ų | 44.1 | 43% | 0.433 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.8 | -40.1 | 177.8 | -61 | -19.6 | 0 | 0 | 0 | 111.7 | Q305 E306 I312 S313 | Q305-D309 PolarHBondContact NE2-OD1 2.93Å; Q305-D309 VanDerWaalsContact O-CG 3.32Å; Q305-D309 PolarHBondContact O-N 3.45Å; E306-D309 PolarHBondContact O-N 2.9Å; D309-I312 PolarHBondContact O-N 3.32Å; D309-S313 WeakPolarHBondContact O-CB 3.24Å; D309-S313 PolarHBondContact O-N 2.9Å |
| 310 | E | 98.6 | Very high | 98.3 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.7 | -35.3 | 173.9 | -72 | -58.3 | 160.7 | 0 | 0 | 112.9 | I260 R263 Y269 F295 E306 L308 S313 C314 | I260-E310 HydrophobicContact CD1-CG 4.15Å; I260-E310 HydrophobicContact CG1-CG 4.16Å; I260-E310 HydrophobicContact CG2-CG 4.2Å; R263-E310 VanDerWaalsContact CD-OE2 3.25Å; R263-E310 WeakPolarHBondContact CD-OE2 3.36Å; R263-E310 IonicContact CZ-OE2 2.82Å; R263-E310 IonicContact NE-OE2 2.93Å; R263-E310 VanDerWaalsContact NH1-CD 3.33Å; R263-E310 IonicContact NH1-OE1 3.65Å; R263-E310 PolarHBondContact NH1-OE1 3.29Å; R263-E310 IonicContact NH1-OE2 3.29Å; R263-E310 PolarHBondContact NH1-OE2 3.22Å; Y269-E310 PolarHBondContact OH-OE2 2.88Å; F295-E310 HydrophobicContact CD1-CB 4.06Å; F295-E310 HydrophobicContact CD2-CB 3.88Å; F295-E310 HydrophobicContact CE1-CB 4.15Å; F295-E310 HydrophobicContact CE2-CB 3.95Å; F295-E310 HydrophobicContact CG-CB 3.96Å; F295-E310 HydrophobicContact CZ-CB 4.1Å; E306-E310 WeakPolarHBondContact O-CG 3.39Å; E306-E310 PolarHBondContact O-N 2.99Å; L308-E310 VanDerWaalsContact C-N 3.32Å; L308-E310 PolarHBondContact O-N 2.88Å; E310-S313 PolarHBondContact O-N 2.97Å; E310-C314 PolarHBondContact O-N 2.74Å; E310-C314 PolarHBondContact O-SG 3.32Å |
| 311 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | I292 F295 I296 Y307 L308 C314 A315 L344 | I292-A311 VanDerWaalsContact CD1-O 3.3Å; I292-A311 WeakPolarHBondContact CD1-O 3.09Å; I292-A311 HydrophobicContact CG1-CB 3.92Å; F295-A311 HydrophobicContact CB-CB 4.02Å; I296-A311 HydrophobicContact CG1-CB 3.85Å; Y307-A311 PolarHBondContact O-N 3.3Å; Y307-A311 VanDerWaalsContact O-N 3.1Å; L308-A311 WeakPolarHBondContact O-CB 3.38Å; L308-A311 PolarHBondContact O-N 2.62Å; L308-A311 VanDerWaalsContact O-N 3.08Å; A311-C314 WeakPolarHBondContact O-CB 2.94Å; A311-C314 PolarHBondContact O-N 2.86Å; A311-A315 PolarHBondContact O-N 2.62Å; A311-L344 HydrophobicContact CB-CD1 4.2Å |
| 312 | I | 98.6 | Very high | 98.3 | Very high | 48 Ų | 48 | 39.2 Ų | 39.2 | 25% | 0.246 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.5 | -47 | 175.4 | -66.5 | 170.6 | 0 | 0 | 0 | 110.4 | L308 D309 C314 A315 D316 L344 Y353 | L308-I312 HydrophobicContact CD1-CD1 4.14Å; L308-I312 HydrophobicContact CD1-CG1 4.2Å; L308-I312 HydrophobicContact CG-CD1 4Å; L308-I312 HydrophobicContact CG-CG1 4.5Å; L308-I312 VanDerWaalsContact O-CG1 3.3Å; L308-I312 WeakPolarHBondContact O-CG1 3.23Å; L308-I312 PolarHBondContact O-N 2.8Å; D309-I312 PolarHBondContact O-N 3.32Å; I312-C314 VanDerWaalsContact C-N 3.32Å; I312-C314 PolarHBondContact O-N 3.16Å; I312-A315 WeakPolarHBondContact O-CA 3.49Å; I312-A315 WeakPolarHBondContact O-CB 3.27Å; I312-A315 PolarHBondContact O-N 2.93Å; I312-D316 PolarHBondContact O-N 2.57Å; I312-L344 HydrophobicContact CG1-CD2 4.39Å; I312-Y353 WeakPolarHBondContact CG1-OH 3.38Å |
| 313 | S | 98.5 | Very high | 98.2 | Very high | 18 Ų | 18 | 37.7 Ų | 37.7 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56 | -44.7 | 174.6 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | R263 D309 E310 A315 D316 V317 | R263-S313 VanDerWaalsContact CZ-OG 3.22Å; R263-S313 PolarHBondContact NH1-OG 3.44Å; R263-S313 PolarHBondContact NH2-OG 3.25Å; D309-S313 WeakPolarHBondContact O-CB 3.24Å; D309-S313 PolarHBondContact O-N 2.9Å; E310-S313 PolarHBondContact O-N 2.97Å; S313-A315 PolarHBondContact O-N 3.46Å; S313-D316 PolarHBondContact O-N 2.91Å; S313-V317 WeakPolarHBondContact O-CG2 3.39Å; S313-V317 PolarHBondContact O-N 3.4Å; S313-V317 VanDerWaalsContact O-N 3.12Å |
| 314 | C | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59 | -45.6 | 173.1 | -71 | 0 | 0 | 0 | 0 | 111.7 | A288 I292 E310 A311 I312 D316 V317 I318 | A288-C314 HydrophobicContact CB-CB 3.91Å; I292-C314 HydrophobicContact CB-CB 3.73Å; I292-C314 HydrophobicContact CD1-CB 4.15Å; I292-C314 HydrophobicContact CG1-CB 4.04Å; E310-C314 PolarHBondContact O-N 2.74Å; E310-C314 PolarHBondContact O-SG 3.32Å; A311-C314 WeakPolarHBondContact O-CB 2.94Å; A311-C314 PolarHBondContact O-N 2.86Å; I312-C314 VanDerWaalsContact C-N 3.32Å; I312-C314 PolarHBondContact O-N 3.16Å; C314-D316 VanDerWaalsContact C-N 3.3Å; C314-D316 PolarHBondContact O-N 2.85Å; C314-V317 WeakPolarHBondContact O-CB 3.23Å; C314-V317 PolarHBondContact O-N 3.11Å; C314-I318 WeakPolarHBondContact O-CD1 3.34Å; C314-I318 WeakPolarHBondContact O-CG1 3.44Å; C314-I318 PolarHBondContact O-N 3.45Å |
| 315 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.9 | -38.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I292 A311 I312 S313 I318 W319 F341 L344 Y353 R356 | I292-A315 HydrophobicContact CD1-CB 4.09Å; A311-A315 PolarHBondContact O-N 2.62Å; I312-A315 WeakPolarHBondContact O-CA 3.49Å; I312-A315 WeakPolarHBondContact O-CB 3.27Å; I312-A315 PolarHBondContact O-N 2.93Å; S313-A315 PolarHBondContact O-N 3.46Å; A315-I318 PolarHBondContact O-N 3.38Å; A315-W319 WeakPolarHBondContact O-CB 3.36Å; A315-W319 PolarHBondContact O-N 2.73Å; A315-F341 HydrophobicContact CB-CD1 4.17Å; A315-F341 HydrophobicContact CB-CE1 4.01Å; A315-F341 VanDerWaalsContact O-CE1 3.27Å; A315-F341 WeakPolarHBondContact O-CE1 3.48Å; A315-L344 HydrophobicContact CB-CD2 3.64Å; A315-Y353 HydrophobicContact CB-CD1 4.36Å; A315-Y353 HydrophobicContact CB-CE1 4.01Å; A315-R356 PolarHBondContact O-NH1 3.21Å |
| 316 | D | 98.4 | Very high | 97.7 | Very high | 65 Ų | 65 | 32.5 Ų | 32.5 | 35% | 0.348 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -67.8 | -38.4 | 176.5 | -71.2 | -29.9 | 0 | 0 | 0 | 112.7 | I312 S313 C314 I318 W319 A320 K352 R356 | I312-D316 PolarHBondContact O-N 2.57Å; S313-D316 PolarHBondContact O-N 2.91Å; C314-D316 VanDerWaalsContact C-N 3.3Å; C314-D316 PolarHBondContact O-N 2.85Å; D316-I318 VanDerWaalsContact C-N 3.33Å; D316-I318 PolarHBondContact O-N 3.04Å; D316-W319 PolarHBondContact O-N 3.14Å; D316-A320 PolarHBondContact O-N 3.41Å; D316-K352 IonicContact OD1-NZ 3.69Å; D316-R356 IonicContact OD1-CZ 2.64Å; D316-R356 IonicContact OD1-NH1 2.77Å; D316-R356 PolarHBondContact OD1-NH1 3.27Å; D316-R356 IonicContact OD1-NH2 2.73Å; D316-R356 PolarHBondContact OD1-NH2 3.3Å |
| 317 | V | 98.3 | Very high | 97.4 | Very high | 7 Ų | 7 | 27.8 Ų | 27.8 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 170.8 | 172.1 | 0 | 0 | 0 | 0 | 111 | S266 N268 V282 A288 S313 C314 W319 A320 R321 | S266-V317 VanDerWaalsContact O-CG2 3.23Å; S266-V317 WeakPolarHBondContact O-CG2 3.42Å; N268-V317 HydrophobicContact CB-CG1 3.95Å; N268-V317 HydrophobicContact CB-CG2 4.45Å; V282-V317 HydrophobicContact CG1-CG1 4.31Å; V282-V317 HydrophobicContact CG2-CG1 4.24Å; A288-V317 HydrophobicContact CB-CB 4.13Å; A288-V317 HydrophobicContact CB-CG1 3.99Å; S313-V317 WeakPolarHBondContact O-CG2 3.39Å; S313-V317 PolarHBondContact O-N 3.4Å; S313-V317 VanDerWaalsContact O-N 3.12Å; C314-V317 WeakPolarHBondContact O-CB 3.23Å; C314-V317 PolarHBondContact O-N 3.11Å; V317-W319 VanDerWaalsContact C-N 3.31Å; V317-W319 PolarHBondContact O-N 3.41Å; V317-A320 PolarHBondContact O-N 2.96Å; V317-R321 WeakPolarHBondContact O-CB 3.48Å; V317-R321 PolarHBondContact O-N 2.96Å |
| 318 | I | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.7 | -39.8 | -179.1 | -61.8 | 165.6 | 0 | 0 | 0 | 110 | V282 A288 P289 I292 C314 A315 D316 A320 R321 G322 N337 A340 F341 F360 | V282-I318 HydrophobicContact CG1-CG1 4.36Å; A288-I318 HydrophobicContact CB-CG1 4.3Å; P289-I318 HydrophobicContact CB-CD1 3.98Å; P289-I318 HydrophobicContact CB-CG1 4.33Å; P289-I318 HydrophobicContact CG-CD1 4.08Å; P289-I318 HydrophobicContact CG-CG1 3.88Å; I292-I318 HydrophobicContact CG2-CD1 4.47Å; C314-I318 WeakPolarHBondContact O-CD1 3.34Å; C314-I318 WeakPolarHBondContact O-CG1 3.44Å; C314-I318 PolarHBondContact O-N 3.45Å; A315-I318 PolarHBondContact O-N 3.38Å; D316-I318 VanDerWaalsContact C-N 3.33Å; D316-I318 PolarHBondContact O-N 3.04Å; I318-A320 VanDerWaalsContact C-N 3.33Å; I318-A320 PolarHBondContact O-N 3.43Å; I318-R321 PolarHBondContact O-N 2.92Å; I318-G322 WeakPolarHBondContact O-CA 3.11Å; I318-G322 PolarHBondContact O-N 3.49Å; I318-N337 HydrophobicContact CG2-CB 3.86Å; I318-A340 HydrophobicContact CD1-CB 3.44Å; I318-A340 VanDerWaalsContact CD1-CB 3.44Å; I318-F341 HydrophobicContact CB-CE1 4.31Å; I318-F341 HydrophobicContact CB-CZ 3.88Å; I318-F341 HydrophobicContact CG2-CE1 4.35Å; I318-F341 HydrophobicContact CG2-CE2 3.77Å; I318-F341 HydrophobicContact CG2-CZ 3.57Å; I318-F360 HydrophobicContact CG2-CE1 4.14Å; I318-F360 HydrophobicContact CG2-CZ 4.23Å; I318-F360 WeakPolarHBondContact O-CZ 3.34Å |
| 319 | W | 98.5 | Very high | 97 | Very high | 25 Ų | 25 | 27.4 Ų | 27.4 | 10% | 0.095 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 178.1 | -178.7 | -116.4 | 0 | 0 | 0 | 112 | N9 D13 A315 D316 V317 F341 R356 K359 F360 | N9-W319 VanDerWaalsContact ND2-CD2 3.33Å; N9-W319 VanDerWaalsContact ND2-CE2 3.33Å; N9-W319 WeakPolarHBondContact ND2-CZ2 3.28Å; N9-W319 PolarHBondContact ND2-O 3.24Å; D13-W319 HydrophobicContact CB-CZ2 3.99Å; D13-W319 PolarHBondContact OD2-NE1 3.47Å; A315-W319 WeakPolarHBondContact O-CB 3.36Å; A315-W319 PolarHBondContact O-N 2.73Å; D316-W319 PolarHBondContact O-N 3.14Å; V317-W319 VanDerWaalsContact C-N 3.31Å; V317-W319 PolarHBondContact O-N 3.41Å; W319-F341 HydrophobicContact CB-CE1 4.33Å; W319-F341 HydrophobicContact CB-CZ 3.99Å; W319-F341 HydrophobicContact CE3-CE2 4.43Å; W319-F341 HydrophobicContact CE3-CZ 4.16Å; W319-R356 HydrophobicContact CD2-CB 4.47Å; W319-R356 HydrophobicContact CD2-CG 3.73Å; W319-R356 HydrophobicContact CE3-CB 3.62Å; W319-R356 HydrophobicContact CE3-CG 3.35Å; W319-R356 HydrophobicContact CG-CG 4.43Å; W319-R356 VanDerWaalsContact CG-CZ 3.44Å; W319-R356 VanDerWaalsContact CG-NE 3.34Å; W319-R356 HydrophobicContact CH2-CG 4.07Å; W319-R356 HydrophobicContact CZ2-CG 4.41Å; W319-R356 HydrophobicContact CZ3-CB 3.67Å; W319-R356 HydrophobicContact CZ3-CG 3.55Å; W319-K359 HydrophobicContact CH2-CB 3.92Å; W319-K359 HydrophobicContact CH2-CG 4.1Å; W319-K359 HydrophobicContact CZ3-CB 3.98Å; W319-F360 HydrophobicContact CE3-CD2 4.33Å; W319-F360 AromaticContact CE3-CE2 3.76Å; W319-F360 HydrophobicContact CE3-CE2 3.76Å; W319-F360 HydrophobicContact CZ3-CD2 4.13Å; W319-F360 AromaticContact CZ3-CE2 3.96Å; W319-F360 HydrophobicContact CZ3-CE2 3.96Å |
| 320 | A | 97.4 | Very high | 96.8 | Very high | 59 Ų | 59 | 24.6 Ų | 24.6 | 49% | 0.488 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -74.3 | -35.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D316 V317 I318 | D316-A320 PolarHBondContact O-N 3.41Å; V317-A320 PolarHBondContact O-N 2.96Å; I318-A320 VanDerWaalsContact C-N 3.33Å; I318-A320 PolarHBondContact O-N 3.43Å |
| 321 | R | 97.2 | Very high | 96.7 | Very high | 36 Ų | 36 | 24 Ų | 24 | 14% | 0.136 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -131.6 | 4.5 | -164.6 | -62.3 | 164.8 | 63.2 | -163.7 | 2.8 | 114.7 | D3 S6 D279 V282 V317 I318 L324 | D3-R321 IonicContact OD2-CZ 3.47Å; D3-R321 IonicContact OD2-NE 2.73Å; D3-R321 PolarHBondContact OD2-NE 3.15Å; D3-R321 IonicContact OD2-NH2 2.94Å; D3-R321 PolarHBondContact OD2-NH2 2.85Å; S6-R321 VanDerWaalsContact CB-O 3.29Å; S6-R321 WeakPolarHBondContact CB-O 3.47Å; D279-R321 PolarHBondContact O-NH2 3.46Å; D279-R321 IonicContact OD1-CZ 3.52Å; D279-R321 IonicContact OD1-NH1 3.67Å; D279-R321 PolarHBondContact OD1-NH1 3.42Å; D279-R321 IonicContact OD1-NH2 3.52Å; D279-R321 PolarHBondContact OD1-NH2 3.23Å; D279-R321 IonicContact OD2-NH1 3.71Å; V282-R321 HydrophobicContact CG2-CB 3.96Å; V317-R321 WeakPolarHBondContact O-CB 3.48Å; V317-R321 PolarHBondContact O-N 2.96Å; I318-R321 PolarHBondContact O-N 2.92Å; R321-L324 WeakPolarHBondContact O-CD2 3.42Å |
| 322 | G | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -88.5 | -5.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | I318 N337 | I318-G322 WeakPolarHBondContact O-CA 3.11Å; I318-G322 PolarHBondContact O-N 3.49Å; G322-N337 WeakPolarHBondContact CA-ND2 3.4Å; G322-N337 PolarHBondContact O-ND2 3.31Å | ||
| 323 | L | 97.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -82.3 | 113.4 | 167.1 | -58 | -176.4 | 0 | 0 | 0 | 108.3 | S6 I7 N9 Y11 V334 F360 F363 | S6-L323 CarbonylContact C-O 3.1Å; S6-L323 WeakPolarHBondContact CA-O 3.39Å; S6-L323 WeakPolarHBondContact CB-O 3.28Å; I7-L323 HydrophobicContact CB-CB 4.18Å; I7-L323 PolarHBondContact N-O 3.15Å; N9-L323 HydrophobicContact CB-CD1 4.05Å; Y11-L323 HydrophobicContact CD2-CD1 4.43Å; Y11-L323 HydrophobicContact CE2-CD1 4.21Å; L323-V334 HydrophobicContact CD2-CG1 3.78Å; L323-V334 HydrophobicContact CD2-CG2 4.42Å; L323-F360 HydrophobicContact CD2-CD1 4.13Å; L323-F360 HydrophobicContact CD2-CD2 3.99Å; L323-F360 HydrophobicContact CD2-CE1 3.93Å; L323-F360 HydrophobicContact CD2-CE2 3.77Å; L323-F360 HydrophobicContact CD2-CG 4.15Å; L323-F360 HydrophobicContact CD2-CZ 3.73Å; L323-F360 HydrophobicContact CG-CE2 4.31Å; L323-F360 HydrophobicContact CG-CZ 4.18Å; L323-F363 HydrophobicContact CB-CE2 4.44Å; L323-F363 HydrophobicContact CD1-CD2 3.9Å; L323-F363 HydrophobicContact CD1-CE2 4.12Å; L323-F363 HydrophobicContact CD2-CB 4.18Å; L323-F363 HydrophobicContact CD2-CD1 4.27Å; L323-F363 HydrophobicContact CD2-CD2 4.06Å; L323-F363 HydrophobicContact CD2-CG 3.9Å; L323-F363 HydrophobicContact CG-CD2 4.46Å |
| 324 | L | 95.7 | Very high | 96.3 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -112.6 | 135 | -164.4 | -56.3 | 178.9 | 0 | 0 | 0 | 113.1 | H283 R321 K326 G327 | H283-L324 VanDerWaalsContact CD2-CD1 3.45Å; H283-L324 WeakPolarHBondContact CD2-CD1 3.15Å; R321-L324 WeakPolarHBondContact O-CD2 3.42Å; L324-K326 HydrophobicContact CB-CB 4.31Å; L324-K326 PolarHBondContact O-N 3.27Å; L324-G327 PolarHBondContact O-N 2.86Å |
| 325 | Y | 94.3 | Very high | 96.2 | Very high | 101 Ų | 101 | 22 Ų | 22 | 40% | 0.396 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -20 | 166.6 | -77.2 | -66.1 | 0 | 0 | 0 | 112.6 | R5 S6 I7 G327 C372 R373 | R5-Y325 PolarHBondContact O-N 3.23Å; S6-Y325 WeakPolarHBondContact O-CE2 3.42Å; I7-Y325 HydrophobicContact CD1-CD1 3.88Å; I7-Y325 HydrophobicContact CD1-CE1 3.97Å; I7-Y325 HydrophobicContact CD1-CG 4.34Å; I7-Y325 HydrophobicContact CG1-CD1 3.59Å; I7-Y325 HydrophobicContact CG1-CD2 3.9Å; I7-Y325 HydrophobicContact CG1-CE1 3.41Å; I7-Y325 VanDerWaalsContact CG1-CE1 3.41Å; I7-Y325 HydrophobicContact CG1-CE2 3.71Å; I7-Y325 HydrophobicContact CG1-CG 3.83Å; I7-Y325 VanDerWaalsContact CG1-CZ 3.46Å; Y325-G327 PolarHBondContact O-N 3.2Å; Y325-C372 WeakPolarHBondContact O-CA 3.36Å; Y325-R373 PolarHBondContact O-N 3.05Å; Y325-R373 VanDerWaalsContact O-N 3.15Å |
| 326 | K | 92.7 | Very high | 96.1 | Very high | 93 Ų | 93 | 22.2 Ų | 22.2 | 40% | 0.404 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -28.9 | 177 | -163.6 | 172.9 | -172.8 | -155.1 | 0 | 112.5 | L324 H332 | L324-K326 HydrophobicContact CB-CB 4.31Å; L324-K326 PolarHBondContact O-N 3.27Å; K326-H332 HydrophobicContact CD-CB 4.05Å; K326-H332 VanDerWaalsContact CD-CD2 3.4Å; K326-H332 WeakPolarHBondContact CD-CD2 3.37Å; K326-H332 WeakPolarHBondContact CE-CD2 3.37Å; K326-H332 WeakPolarHBondContact CE-NE2 3.35Å; K326-H332 PolarHBondContact NZ-CD2 3.3Å; K326-H332 PolarHBondContact NZ-CE1 3.21Å; K326-H332 PolarHBondContact NZ-ND1 3.35Å; K326-H332 PolarHBondContact NZ-NE2 3.25Å |
| 327 | G | 92.5 | Very high | 96.1 | Very high | 6 Ų | 6 | 19.1 Ų | 19.1 | 6% | 0.062 | 10% | 0.096 | C | C | . | . | trans | 133.7 | -164.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L324 Y325 G333 V334 | L324-G327 PolarHBondContact O-N 2.86Å; Y325-G327 PolarHBondContact O-N 3.2Å; G327-G333 WeakPolarHBondContact O-CA 3.47Å; G327-V334 PolarHBondContact O-N 3.33Å; G327-V334 VanDerWaalsContact O-N 3.12Å | ||
| 328 | Y | 94 | Very high | 96.1 | Very high | 8 Ų | 8 | 18.8 Ų | 18.8 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -107.5 | 9.7 | -168.8 | -49.7 | -99.7 | 0 | 0 | 0 | 113 | A335 F363 I364 Y367 G368 H370 C372 C388 | Y328-A335 WeakPolarHBondContact O-CB 3.45Å; Y328-A335 PolarHBondContact O-N 3.32Å; Y328-F363 AromaticContact CD1-CD1 4Å; Y328-F363 HydrophobicContact CD1-CD1 4Å; Y328-F363 AromaticContact CD1-CE1 3.91Å; Y328-F363 HydrophobicContact CD1-CE1 3.91Å; Y328-F363 AromaticContact CE1-CD1 3.68Å; Y328-F363 HydrophobicContact CE1-CD1 3.68Å; Y328-F363 AromaticContact CE1-CE1 3.38Å; Y328-F363 HydrophobicContact CE1-CE1 3.38Å; Y328-F363 HydrophobicContact CE1-CZ 4.42Å; Y328-I364 HydrophobicContact CD1-CG1 3.96Å; Y328-Y367 HydrophobicContact CD1-CD2 4.18Å; Y328-Y367 AromaticContact CD2-CD2 3.6Å; Y328-Y367 HydrophobicContact CD2-CD2 3.6Å; Y328-Y367 AromaticContact CD2-CE2 3.4Å; Y328-Y367 HydrophobicContact CD2-CE2 3.4Å; Y328-Y367 VanDerWaalsContact CD2-CE2 3.4Å; Y328-Y367 HydrophobicContact CD2-CG 4.37Å; Y328-Y367 AromaticContact CD2-CZ 3.99Å; Y328-Y367 HydrophobicContact CE2-CD2 4.06Å; Y328-Y367 HydrophobicContact CE2-CE2 4.12Å; Y328-Y367 HydrophobicContact CE2-CG 4.4Å; Y328-Y367 AromaticContact CG-CD2 3.69Å; Y328-Y367 HydrophobicContact CG-CD2 3.69Å; Y328-Y367 AromaticContact CG-CE2 3.74Å; Y328-Y367 HydrophobicContact CG-CE2 3.74Å; Y328-G368 PolarHBondContact OH-N 3.22Å; Y328-G368 VanDerWaalsContact OH-N 3.15Å; Y328-H370 AromaticContact CE1-CD2 3.77Å; Y328-H370 AromaticContact CZ-CD2 3.84Å; Y328-H370 PolarHBondContact OH-CD2 3.29Å; Y328-C372 HydrophobicContact CD2-CB 4.44Å; Y328-C372 HydrophobicContact CE2-CB 3.74Å; Y328-C388 WeakPolarHBondContact CB-SG 3.09Å |
| 329 | G | 93.2 | Very high | 96 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | trans | -63.5 | 172.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | G333 G336 C387 | G329-G333 CarbonylContact O-C 3.55Å; G329-G333 WeakPolarHBondContact O-CA 3.15Å; G329-G333 PolarHBondContact O-N 3.48Å; G329-G336 PolarHBondContact O-N 2.76Å; G329-G336 VanDerWaalsContact O-N 3.09Å; G329-C387 VanDerWaalsContact CA-CB 3.41Å; G329-C387 WeakPolarHBondContact CA-SG 3.36Å | ||
| 330 | L | 95.5 | Very high | 96 | Very high | 23 Ų | 23 | 21.9 Ų | 21.9 | 12% | 0.12 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -40.1 | 173.8 | -67.4 | -178 | 0 | 0 | 0 | 112.4 | H332 A335 G336 Y339 L381 F382 C387 A390 | L330-H332 PolarHBondContact O-N 2.97Å; L330-A335 HydrophobicContact CD2-CB 3.96Å; L330-G336 VanDerWaalsContact O-CA 3.28Å; L330-G336 WeakPolarHBondContact O-CA 3.49Å; L330-Y339 HydrophobicContact CD2-CD2 3.85Å; L330-Y339 HydrophobicContact CD2-CE2 3.69Å; L330-L381 HydrophobicContact CD1-CD1 4.28Å; L330-L381 HydrophobicContact CD1-CG 4.4Å; L330-L381 WeakPolarHBondContact CD1-O 3.29Å; L330-F382 HydrophobicContact CB-CD1 4.39Å; L330-F382 PolarHBondContact N-O 3.1Å; L330-C387 HydrophobicContact CB-CB 4.36Å; L330-C387 HydrophobicContact CD2-CB 4.31Å; L330-C387 HydrophobicContact CG-CB 3.73Å; L330-C387 VanDerWaalsContact N-CB 3.33Å; L330-C387 PolarHBondContact N-SG 2.93Å; L330-A390 HydrophobicContact CD1-CB 4.2Å |
| 331 | C | 96.7 | Very high | 96.1 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 3% | 0.027 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -37.9 | -174.2 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | Y66 W284 C285 F382 | Y66-C331 HydrophobicContact CE2-CB 4.27Å; Y66-C331 WeakPolarHBondContact OH-CB 3.44Å; Y66-C331 PolarHBondContact OH-SG 3.39Å; W284-C331 WeakPolarHBondContact CB-O 3.38Å; W284-C331 HydrophobicContact CE3-CB 4.36Å; W284-C331 PolarHBondContact N-O 2.89Å; C285-C331 PolarHBondContact N-O 2.97Å; C331-F382 HydrophobicContact CB-CB 4.33Å; C331-F382 HydrophobicContact CB-CD1 4.12Å; C331-F382 WeakPolarHBondContact CB-O 3.39Å; C331-F382 PolarHBondContact N-O 3.45Å |
| 332 | H | 94.8 | Very high | 96.1 | Very high | 26 Ų | 26 | 19.6 Ų | 19.6 | 12% | 0.12 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -161.1 | 50.8 | -170.6 | 43.9 | -109.3 | 0 | 0 | 0 | 111 | H283 K326 L330 | H283-H332 HydrophobicContact CB-CB 3.64Å; H283-H332 WeakPolarHBondContact ND1-CB 3.42Å; K326-H332 HydrophobicContact CD-CB 4.05Å; K326-H332 VanDerWaalsContact CD-CD2 3.4Å; K326-H332 WeakPolarHBondContact CD-CD2 3.37Å; K326-H332 WeakPolarHBondContact CE-CD2 3.37Å; K326-H332 WeakPolarHBondContact CE-NE2 3.35Å; K326-H332 PolarHBondContact NZ-CD2 3.3Å; K326-H332 PolarHBondContact NZ-CE1 3.21Å; K326-H332 PolarHBondContact NZ-ND1 3.35Å; K326-H332 PolarHBondContact NZ-NE2 3.25Å; L330-H332 PolarHBondContact O-N 2.97Å |
| 333 | G | 95.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -147.9 | 178.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G327 G329 A335 G336 N337 | G327-G333 WeakPolarHBondContact O-CA 3.47Å; G329-G333 CarbonylContact O-C 3.55Å; G329-G333 WeakPolarHBondContact O-CA 3.15Å; G329-G333 PolarHBondContact O-N 3.48Å; G333-A335 VanDerWaalsContact C-N 3.34Å; G333-A335 PolarHBondContact O-N 2.87Å; G333-G336 PolarHBondContact O-N 2.93Å; G333-N337 PolarHBondContact O-N 3.44Å; G333-N337 VanDerWaalsContact O-N 3.12Å |
| 334 | V | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.5 | -41.2 | -175.2 | -175.8 | 0 | 0 | 0 | 0 | 112.6 | L323 G327 N337 G338 F360 F363 I364 | L323-V334 HydrophobicContact CD2-CG1 3.78Å; L323-V334 HydrophobicContact CD2-CG2 4.42Å; G327-V334 PolarHBondContact O-N 3.33Å; G327-V334 VanDerWaalsContact O-N 3.12Å; V334-N337 PolarHBondContact O-N 3.06Å; V334-G338 PolarHBondContact O-N 3.47Å; V334-F360 HydrophobicContact CG1-CB 4.14Å; V334-F360 HydrophobicContact CG1-CD1 3.56Å; V334-F360 HydrophobicContact CG1-CE1 4.2Å; V334-F360 HydrophobicContact CG1-CG 4.07Å; V334-F360 WeakPolarHBondContact O-CD1 3.25Å; V334-F363 HydrophobicContact CB-CD1 4.23Å; V334-F363 HydrophobicContact CG1-CD1 3.87Å; V334-F363 HydrophobicContact CG1-CG 4.46Å; V334-F363 HydrophobicContact CG2-CD1 3.83Å; V334-F363 HydrophobicContact CG2-CE1 3.68Å; V334-I364 HydrophobicContact CB-CG1 4.45Å; V334-I364 HydrophobicContact CG1-CD1 4.34Å; V334-I364 HydrophobicContact CG1-CG1 4.25Å |
| 335 | A | 96.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.9 | -47.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y328 L330 G333 N337 G338 Y339 I364 C387 F391 | Y328-A335 WeakPolarHBondContact O-CB 3.45Å; Y328-A335 PolarHBondContact O-N 3.32Å; L330-A335 HydrophobicContact CD2-CB 3.96Å; G333-A335 VanDerWaalsContact C-N 3.34Å; G333-A335 PolarHBondContact O-N 2.87Å; A335-N337 VanDerWaalsContact C-N 3.27Å; A335-N337 PolarHBondContact O-N 2.73Å; A335-G338 PolarHBondContact O-N 2.96Å; A335-G338 VanDerWaalsContact O-N 3.11Å; A335-Y339 WeakPolarHBondContact O-CD2 3.37Å; A335-Y339 PolarHBondContact O-N 3.12Å; A335-I364 HydrophobicContact CB-CD1 3.91Å; A335-C387 HydrophobicContact CB-CB 4.44Å; A335-F391 HydrophobicContact CB-CB 3.68Å; A335-F391 HydrophobicContact CB-CD1 4.23Å; A335-F391 HydrophobicContact CB-CG 4.12Å |
| 336 | G | 97.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 4% | 0.041 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.1 | -36.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G329 L330 G333 Y339 | G329-G336 PolarHBondContact O-N 2.76Å; G329-G336 VanDerWaalsContact O-N 3.09Å; L330-G336 VanDerWaalsContact O-CA 3.28Å; L330-G336 WeakPolarHBondContact O-CA 3.49Å; G333-G336 PolarHBondContact O-N 2.93Å; G336-Y339 PolarHBondContact O-N 3.38Å |
| 337 | N | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.9 | -36.5 | 174.7 | -72.4 | -2.1 | 0 | 0 | 0 | 111.9 | V282 P289 I318 G322 G333 V334 A335 Y339 A340 F360 | V282-N337 PolarHBondContact O-ND2 3.06Å; V282-N337 PolarHBondContact O-OD1 3.19Å; P289-N337 VanDerWaalsContact CB-OD1 3.26Å; P289-N337 WeakPolarHBondContact CB-OD1 3.08Å; P289-N337 WeakPolarHBondContact CG-OD1 3.49Å; I318-N337 HydrophobicContact CG2-CB 3.86Å; G322-N337 WeakPolarHBondContact CA-ND2 3.4Å; G322-N337 PolarHBondContact O-ND2 3.31Å; G333-N337 PolarHBondContact O-N 3.44Å; G333-N337 VanDerWaalsContact O-N 3.12Å; V334-N337 PolarHBondContact O-N 3.06Å; A335-N337 VanDerWaalsContact C-N 3.27Å; A335-N337 PolarHBondContact O-N 2.73Å; N337-Y339 VanDerWaalsContact C-N 3.31Å; N337-Y339 PolarHBondContact O-N 3.29Å; N337-A340 VanDerWaalsContact O-CB 3.26Å; N337-A340 WeakPolarHBondContact O-CB 3.29Å; N337-A340 PolarHBondContact O-N 3.04Å; N337-F360 HydrophobicContact CB-CD1 4.27Å; N337-F360 HydrophobicContact CB-CE1 3.84Å |
| 338 | G | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.7 | -36 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V334 A335 A340 F341 L342 | V334-G338 PolarHBondContact O-N 3.47Å; A335-G338 PolarHBondContact O-N 2.96Å; A335-G338 VanDerWaalsContact O-N 3.11Å; G338-A340 PolarHBondContact O-N 3.47Å; G338-F341 WeakPolarHBondContact O-CB 3.47Å; G338-F341 PolarHBondContact O-N 3Å; G338-F341 VanDerWaalsContact O-N 3.07Å; G338-L342 PolarHBondContact O-N 3.25Å |
| 339 | Y | 97.8 | Very high | 96.7 | Very high | 90 Ų | 90 | 28.4 Ų | 28.4 | 35% | 0.353 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -57.3 | -30.4 | 175.8 | -95 | -75.5 | 0 | 0 | 0 | 113.7 | L330 A335 G336 N337 F341 L342 M343 A390 F391 | L330-Y339 HydrophobicContact CD2-CD2 3.85Å; L330-Y339 HydrophobicContact CD2-CE2 3.69Å; A335-Y339 WeakPolarHBondContact O-CD2 3.37Å; A335-Y339 PolarHBondContact O-N 3.12Å; G336-Y339 PolarHBondContact O-N 3.38Å; N337-Y339 VanDerWaalsContact C-N 3.31Å; N337-Y339 PolarHBondContact O-N 3.29Å; Y339-F341 VanDerWaalsContact C-N 3.31Å; Y339-F341 PolarHBondContact O-N 2.82Å; Y339-L342 HydrophobicContact CD1-CD1 4.43Å; Y339-L342 PolarHBondContact O-N 3.33Å; Y339-M343 WeakPolarHBondContact O-CB 3.48Å; Y339-M343 PolarHBondContact O-N 3.45Å; Y339-A390 PolarHBondContact OH-O 3.48Å; Y339-F391 HydrophobicContact CD2-CB 4.06Å; Y339-F391 AromaticContact CD2-CD2 3.58Å; Y339-F391 HydrophobicContact CD2-CD2 3.58Å; Y339-F391 HydrophobicContact CD2-CG 4.24Å; Y339-F391 HydrophobicContact CE2-CB 3.57Å; Y339-F391 AromaticContact CE2-CD2 3.72Å; Y339-F391 HydrophobicContact CE2-CD2 3.72Å; Y339-F391 HydrophobicContact CE2-CG 4.13Å; Y339-F391 HydrophobicContact CG-CD2 4.05Å |
| 340 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60 | -41.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | I292 I318 N337 G338 M343 L344 | I292-A340 HydrophobicContact CD1-CB 4.08Å; I292-A340 HydrophobicContact CG2-CB 3.63Å; I318-A340 HydrophobicContact CD1-CB 3.44Å; I318-A340 VanDerWaalsContact CD1-CB 3.44Å; N337-A340 VanDerWaalsContact O-CB 3.26Å; N337-A340 WeakPolarHBondContact O-CB 3.29Å; N337-A340 PolarHBondContact O-N 3.04Å; G338-A340 PolarHBondContact O-N 3.47Å; A340-M343 PolarHBondContact O-N 3.35Å; A340-L344 PolarHBondContact O-N 2.98Å; A340-L344 VanDerWaalsContact O-N 3.12Å |
| 341 | F | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.8 | -42.8 | 177.4 | -61 | -54.7 | 0 | 0 | 0 | 112.1 | A315 I318 W319 G338 Y339 M343 L344 Y345 Y353 R356 A357 F360 | A315-F341 HydrophobicContact CB-CD1 4.17Å; A315-F341 HydrophobicContact CB-CE1 4.01Å; A315-F341 VanDerWaalsContact O-CE1 3.27Å; A315-F341 WeakPolarHBondContact O-CE1 3.48Å; I318-F341 HydrophobicContact CB-CE1 4.31Å; I318-F341 HydrophobicContact CB-CZ 3.88Å; I318-F341 HydrophobicContact CG2-CE1 4.35Å; I318-F341 HydrophobicContact CG2-CE2 3.77Å; I318-F341 HydrophobicContact CG2-CZ 3.57Å; W319-F341 HydrophobicContact CB-CE1 4.33Å; W319-F341 HydrophobicContact CB-CZ 3.99Å; W319-F341 HydrophobicContact CE3-CE2 4.43Å; W319-F341 HydrophobicContact CE3-CZ 4.16Å; G338-F341 WeakPolarHBondContact O-CB 3.47Å; G338-F341 PolarHBondContact O-N 3Å; G338-F341 VanDerWaalsContact O-N 3.07Å; Y339-F341 VanDerWaalsContact C-N 3.31Å; Y339-F341 PolarHBondContact O-N 2.82Å; F341-M343 VanDerWaalsContact C-N 3.28Å; F341-M343 PolarHBondContact O-N 3.39Å; F341-L344 PolarHBondContact O-N 3.34Å; F341-Y345 WeakPolarHBondContact O-CB 3.46Å; F341-Y345 PolarHBondContact O-N 2.94Å; F341-Y353 WeakPolarHBondContact CB-O 3.12Å; F341-Y353 HydrophobicContact CD1-CD1 4.39Å; F341-R356 HydrophobicContact CB-CB 4.45Å; F341-R356 HydrophobicContact CD1-CB 3.86Å; F341-R356 HydrophobicContact CD2-CB 3.88Å; F341-R356 HydrophobicContact CE1-CB 3.98Å; F341-R356 HydrophobicContact CE1-CG 4.47Å; F341-R356 HydrophobicContact CE2-CB 4.01Å; F341-R356 HydrophobicContact CG-CB 3.81Å; F341-R356 HydrophobicContact CZ-CB 4.05Å; F341-A357 HydrophobicContact CB-CB 3.87Å; F341-F360 HydrophobicContact CD2-CD2 4.44Å; F341-F360 HydrophobicContact CD2-CG 4.46Å; F341-F360 HydrophobicContact CE2-CD1 4.15Å; F341-F360 AromaticContact CE2-CD2 3.81Å; F341-F360 HydrophobicContact CE2-CD2 3.81Å; F341-F360 AromaticContact CE2-CE1 3.99Å; F341-F360 HydrophobicContact CE2-CE1 3.99Å; F341-F360 AromaticContact CE2-CE2 3.63Å; F341-F360 HydrophobicContact CE2-CE2 3.63Å; F341-F360 HydrophobicContact CE2-CG 4.09Å; F341-F360 AromaticContact CE2-CZ 3.73Å; F341-F360 HydrophobicContact CE2-CZ 3.73Å; F341-F360 HydrophobicContact CZ-CE2 4.26Å; F341-F360 HydrophobicContact CZ-CZ 4.28Å |
| 342 | L | 97.6 | Very high | 96.7 | Very high | 47 Ų | 47 | 32.8 Ų | 32.8 | 25% | 0.246 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.5 | -41.5 | 176.1 | -67.6 | -179.8 | 0 | 0 | 0 | 111.7 | G338 Y339 L344 Y345 Q346 L354 A357 F391 | G338-L342 PolarHBondContact O-N 3.25Å; Y339-L342 HydrophobicContact CD1-CD1 4.43Å; Y339-L342 PolarHBondContact O-N 3.33Å; L342-L344 VanDerWaalsContact C-N 3.35Å; L342-Y345 PolarHBondContact O-N 3.25Å; L342-Q346 WeakPolarHBondContact O-CB 3.23Å; L342-Q346 VanDerWaalsContact O-CG 3.25Å; L342-Q346 WeakPolarHBondContact O-CG 3.38Å; L342-Q346 PolarHBondContact O-N 3.25Å; L342-L354 HydrophobicContact CD2-CD1 4.46Å; L342-A357 HydrophobicContact CD2-CB 3.47Å; L342-A357 VanDerWaalsContact CD2-CB 3.47Å; L342-A357 HydrophobicContact CG-CB 3.8Å; L342-F391 HydrophobicContact CD1-CD2 4.05Å; L342-F391 HydrophobicContact CD1-CE2 3.57Å; L342-F391 HydrophobicContact CG-CE2 4.12Å |
| 343 | M | 97.4 | Very high | 96.8 | Very high | 31 Ų | 31 | 32 Ų | 32 | 15% | 0.153 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.7 | -37.7 | 179.1 | -166.7 | 177.2 | 170.1 | 0 | 0 | 112 | F234 H293 I296 Y339 A340 F341 L347 | F234-M343 HydrophobicContact CE2-CE 3.83Å; F234-M343 HydrophobicContact CZ-CE 4.45Å; H293-M343 HydrophobicContact CB-CE 3.99Å; H293-M343 HydrophobicContact CB-SD 3.78Å; H293-M343 VanDerWaalsContact CG-SD 3.57Å; H293-M343 PolarHBondContact ND1-SD 2.79Å; H293-M343 VanDerWaalsContact ND1-SD 3.38Å; H293-M343 WeakPolarHBondContact O-CE 3.47Å; I296-M343 HydrophobicContact CB-CE 3.86Å; I296-M343 HydrophobicContact CD1-CB 3.99Å; I296-M343 HydrophobicContact CD1-CE 4.41Å; I296-M343 HydrophobicContact CD1-CG 3.71Å; I296-M343 HydrophobicContact CD1-SD 4.14Å; I296-M343 HydrophobicContact CG2-CE 3.66Å; I296-M343 HydrophobicContact CG2-CG 4.22Å; Y339-M343 WeakPolarHBondContact O-CB 3.48Å; Y339-M343 PolarHBondContact O-N 3.45Å; A340-M343 PolarHBondContact O-N 3.35Å; F341-M343 VanDerWaalsContact C-N 3.28Å; F341-M343 PolarHBondContact O-N 3.39Å; M343-L347 PolarHBondContact O-N 3.48Å |
| 344 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.9 | -38.1 | 176.7 | -170.1 | 56.4 | 0 | 0 | 0 | 111.9 | I292 I296 L308 A311 I312 A315 A340 F341 L342 L347 T348 Y353 | I292-L344 HydrophobicContact CD1-CB 4.48Å; I292-L344 HydrophobicContact CD1-CD2 4.33Å; I296-L344 HydrophobicContact CD1-CB 4.04Å; I296-L344 HydrophobicContact CD1-CD1 4.11Å; I296-L344 HydrophobicContact CG1-CD1 4.18Å; L308-L344 HydrophobicContact CD1-CD1 4.04Å; A311-L344 HydrophobicContact CB-CD1 4.2Å; I312-L344 HydrophobicContact CG1-CD2 4.39Å; A315-L344 HydrophobicContact CB-CD2 3.64Å; A340-L344 PolarHBondContact O-N 2.98Å; A340-L344 VanDerWaalsContact O-N 3.12Å; F341-L344 PolarHBondContact O-N 3.34Å; L342-L344 VanDerWaalsContact C-N 3.35Å; L344-L347 HydrophobicContact CD1-CD2 4.3Å; L344-L347 PolarHBondContact O-N 2.9Å; L344-T348 HydrophobicContact CD1-CG2 3.9Å; L344-T348 HydrophobicContact CG-CG2 4.35Å; L344-T348 WeakPolarHBondContact O-CB 3.39Å; L344-T348 WeakPolarHBondContact O-CG2 3.15Å; L344-T348 PolarHBondContact O-N 3.04Å; L344-T348 PolarHBondContact O-OG1 2.95Å; L344-Y353 HydrophobicContact CB-CD2 4.38Å; L344-Y353 HydrophobicContact CB-CG 4.24Å; L344-Y353 HydrophobicContact CD2-CD1 3.68Å; L344-Y353 HydrophobicContact CD2-CD2 4.07Å; L344-Y353 HydrophobicContact CD2-CE1 3.35Å; L344-Y353 HydrophobicContact CD2-CE2 3.77Å; L344-Y353 HydrophobicContact CD2-CG 4.03Å; L344-Y353 HydrophobicContact CG-CD1 4.2Å; L344-Y353 HydrophobicContact CG-CD2 3.81Å; L344-Y353 HydrophobicContact CG-CE1 4.18Å; L344-Y353 HydrophobicContact CG-CE2 3.78Å; L344-Y353 HydrophobicContact CG-CG 4.02Å |
| 345 | Y | 97.2 | Very high | 96.9 | Very high | 43 Ų | 43 | 32.5 Ų | 32.5 | 17% | 0.169 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.6 | -47.4 | 170.9 | 174.1 | -117.1 | 0 | 0 | 0 | 111.4 | F341 L342 L347 T348 T349 D350 L354 | F341-Y345 WeakPolarHBondContact O-CB 3.46Å; F341-Y345 PolarHBondContact O-N 2.94Å; L342-Y345 PolarHBondContact O-N 3.25Å; Y345-L347 PolarHBondContact O-N 3.2Å; Y345-L347 VanDerWaalsContact O-N 3.14Å; Y345-T348 PolarHBondContact O-N 2.93Å; Y345-T349 VanDerWaalsContact O-CA 3.32Å; Y345-T349 WeakPolarHBondContact O-CA 3.41Å; Y345-T349 PolarHBondContact O-N 2.98Å; Y345-D350 WeakPolarHBondContact CD2-O 3.45Å; Y345-L354 HydrophobicContact CD1-CB 4.17Å; Y345-L354 HydrophobicContact CD1-CD1 4.34Å; Y345-L354 HydrophobicContact CD2-CB 3.86Å; Y345-L354 HydrophobicContact CE1-CB 4.29Å; Y345-L354 HydrophobicContact CE1-CD1 4.33Å; Y345-L354 HydrophobicContact CE1-CD2 4.21Å; Y345-L354 HydrophobicContact CE2-CB 3.98Å; Y345-L354 HydrophobicContact CE2-CD2 4.44Å; Y345-L354 HydrophobicContact CG-CB 3.96Å |
| 346 | Q | 95.7 | Very high | 97 | Very high | 145 Ų | 145 | 32.8 Ų | 32.8 | 68% | 0.678 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -61.7 | -23.1 | 177.5 | -75.2 | 172.9 | -8 | 0 | 0 | 113.9 | L342 | L342-Q346 WeakPolarHBondContact O-CB 3.23Å; L342-Q346 VanDerWaalsContact O-CG 3.25Å; L342-Q346 WeakPolarHBondContact O-CG 3.38Å; L342-Q346 PolarHBondContact O-N 3.25Å |
| 347 | L | 97 | Very high | 97 | Very high | 40 Ų | 40 | 32.7 Ų | 32.7 | 21% | 0.209 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -83.7 | -46.8 | 174 | 175.7 | 69.6 | 0 | 0 | 0 | 111.8 | I296 Y299 K300 L308 M343 L344 Y345 | I296-L347 HydrophobicContact CB-CD2 4.49Å; I296-L347 HydrophobicContact CG1-CD2 4.24Å; I296-L347 HydrophobicContact CG2-CB 4.3Å; I296-L347 HydrophobicContact CG2-CD2 4.06Å; Y299-L347 HydrophobicContact CD1-CD1 3.77Å; Y299-L347 HydrophobicContact CD1-CD2 3.62Å; Y299-L347 HydrophobicContact CD1-CG 4.2Å; Y299-L347 HydrophobicContact CE1-CD1 3.99Å; Y299-L347 HydrophobicContact CE1-CD2 4.13Å; Y299-L347 HydrophobicContact CE1-CG 4.37Å; Y299-L347 HydrophobicContact CG-CD2 4.5Å; K300-L347 HydrophobicContact CD-CD1 4.4Å; K300-L347 HydrophobicContact CG-CD1 3.89Å; L308-L347 HydrophobicContact CD1-CD2 3.84Å; M343-L347 PolarHBondContact O-N 3.48Å; L344-L347 HydrophobicContact CD1-CD2 4.3Å; L344-L347 PolarHBondContact O-N 2.9Å; Y345-L347 PolarHBondContact O-N 3.2Å; Y345-L347 VanDerWaalsContact O-N 3.14Å |
| 348 | T | 96.4 | Very high | 97 | Very high | 41 Ų | 41 | 33.1 Ų | 33.1 | 25% | 0.252 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -99.8 | -19 | -164.7 | 57.3 | 0 | 0 | 0 | 0 | 114 | L308 L344 Y345 D350 Y353 | L308-T348 HydrophobicContact CD1-CG2 4.02Å; L344-T348 HydrophobicContact CD1-CG2 3.9Å; L344-T348 HydrophobicContact CG-CG2 4.35Å; L344-T348 WeakPolarHBondContact O-CB 3.39Å; L344-T348 WeakPolarHBondContact O-CG2 3.15Å; L344-T348 PolarHBondContact O-N 3.04Å; L344-T348 PolarHBondContact O-OG1 2.95Å; Y345-T348 PolarHBondContact O-N 2.93Å; T348-D350 PolarHBondContact O-N 2.9Å; T348-D350 VanDerWaalsContact O-N 3.11Å; T348-D350 PolarHBondContact OG1-N 3.33Å; T348-Y353 HydrophobicContact CG2-CE2 4.46Å; T348-Y353 WeakPolarHBondContact OG1-CD2 3.03Å |
| 349 | T | 93.8 | Very high | 96.9 | Very high | 100 Ų | 100 | 35.1 Ų | 35.1 | 61% | 0.613 | 17% | 0.174 | S | C | * | . | trans | 55.4 | 14.7 | -166.7 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | Y345 A351 | Y345-T349 VanDerWaalsContact O-CA 3.32Å; Y345-T349 WeakPolarHBondContact O-CA 3.41Å; Y345-T349 PolarHBondContact O-N 2.98Å; T349-A351 PolarHBondContact O-N 2.9Å | ||
| 350 | D | 94.7 | Very high | 96.9 | Very high | 65 Ų | 65 | 30.8 Ų | 30.8 | 35% | 0.348 | 16% | 0.157 | S | C | . | . | trans | -78.2 | 113.9 | 179.3 | -179.1 | -10.7 | 0 | 0 | 0 | 110.9 | Y345 T348 K352 Y353 | Y345-D350 WeakPolarHBondContact CD2-O 3.45Å; T348-D350 PolarHBondContact O-N 2.9Å; T348-D350 VanDerWaalsContact O-N 3.11Å; T348-D350 PolarHBondContact OG1-N 3.33Å; D350-K352 PolarHBondContact O-N 3.14Å; D350-K352 WeakPolarHBondContact OD1-CB 3.2Å; D350-K352 PolarHBondContact OD1-N 2.91Å; D350-Y353 HydrophobicContact CB-CD2 3.82Å; D350-Y353 HydrophobicContact CB-CE2 3.88Å; D350-Y353 PolarHBondContact O-N 3.22Å | ||
| 351 | A | 94.4 | Very high | 96.8 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 7% | 0.066 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -49.1 | -28 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F14 E20 T349 Y353 L354 H355 | F14-A351 HydrophobicContact CE1-CB 4.34Å; F14-A351 HydrophobicContact CE2-CB 3.91Å; F14-A351 HydrophobicContact CZ-CB 3.68Å; E20-A351 HydrophobicContact CG-CB 3.46Å; E20-A351 VanDerWaalsContact CG-CB 3.46Å; T349-A351 PolarHBondContact O-N 2.9Å; A351-Y353 VanDerWaalsContact C-N 3.26Å; A351-Y353 PolarHBondContact O-N 3.46Å; A351-L354 PolarHBondContact O-N 3.27Å; A351-H355 WeakPolarHBondContact O-CB 3.42Å; A351-H355 PolarHBondContact O-N 3.13Å |
| 352 | K | 96.7 | Very high | 96.7 | Very high | 48 Ų | 48 | 34.2 Ų | 34.2 | 21% | 0.209 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -53.4 | -43.8 | 174.2 | 174.5 | 177 | 174.9 | -174.2 | 0 | 111.9 | F14 D316 D350 H355 R356 | F14-K352 HydrophobicContact CB-CB 3.92Å; F14-K352 HydrophobicContact CB-CG 3.92Å; F14-K352 HydrophobicContact CD1-CB 3.93Å; F14-K352 HydrophobicContact CG-CB 4.04Å; D316-K352 IonicContact OD1-NZ 3.69Å; D350-K352 PolarHBondContact O-N 3.14Å; D350-K352 WeakPolarHBondContact OD1-CB 3.2Å; D350-K352 PolarHBondContact OD1-N 2.91Å; K352-H355 WeakPolarHBondContact O-CB 3.25Å; K352-H355 PolarHBondContact O-N 3.08Å; K352-R356 WeakPolarHBondContact O-CG 3.39Å; K352-R356 PolarHBondContact O-N 2.63Å |
| 353 | Y | 97.8 | Very high | 96.6 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -75.8 | -34.1 | -177.2 | -56.8 | -59.8 | 0 | 0 | 0 | 111.9 | I312 A315 F341 L344 T348 D350 A351 R356 A357 | I312-Y353 WeakPolarHBondContact CG1-OH 3.38Å; A315-Y353 HydrophobicContact CB-CD1 4.36Å; A315-Y353 HydrophobicContact CB-CE1 4.01Å; F341-Y353 WeakPolarHBondContact CB-O 3.12Å; F341-Y353 HydrophobicContact CD1-CD1 4.39Å; L344-Y353 HydrophobicContact CB-CD2 4.38Å; L344-Y353 HydrophobicContact CB-CG 4.24Å; L344-Y353 HydrophobicContact CD2-CD1 3.68Å; L344-Y353 HydrophobicContact CD2-CD2 4.07Å; L344-Y353 HydrophobicContact CD2-CE1 3.35Å; L344-Y353 HydrophobicContact CD2-CE2 3.77Å; L344-Y353 HydrophobicContact CD2-CG 4.03Å; L344-Y353 HydrophobicContact CG-CD1 4.2Å; L344-Y353 HydrophobicContact CG-CD2 3.81Å; L344-Y353 HydrophobicContact CG-CE1 4.18Å; L344-Y353 HydrophobicContact CG-CE2 3.78Å; L344-Y353 HydrophobicContact CG-CG 4.02Å; T348-Y353 HydrophobicContact CG2-CE2 4.46Å; T348-Y353 WeakPolarHBondContact OG1-CD2 3.03Å; D350-Y353 HydrophobicContact CB-CD2 3.82Å; D350-Y353 HydrophobicContact CB-CE2 3.88Å; D350-Y353 PolarHBondContact O-N 3.22Å; A351-Y353 VanDerWaalsContact C-N 3.26Å; A351-Y353 PolarHBondContact O-N 3.46Å; Y353-R356 PolarHBondContact O-N 2.69Å; Y353-A357 WeakPolarHBondContact O-CB 3.46Å; Y353-A357 PolarHBondContact O-N 2.96Å |
| 354 | L | 96.6 | Very high | 96.5 | Very high | 9 Ų | 9 | 31 Ų | 31 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 170.6 | 179.4 | 60.8 | 0 | 0 | 0 | 111 | L24 L342 Y345 A351 R356 A357 L358 | L24-L354 HydrophobicContact CD1-CD2 4.29Å; L24-L354 HydrophobicContact CD2-CD2 3.59Å; L24-L354 HydrophobicContact CG-CD2 3.87Å; L342-L354 HydrophobicContact CD2-CD1 4.46Å; Y345-L354 HydrophobicContact CD1-CB 4.17Å; Y345-L354 HydrophobicContact CD1-CD1 4.34Å; Y345-L354 HydrophobicContact CD2-CB 3.86Å; Y345-L354 HydrophobicContact CE1-CB 4.29Å; Y345-L354 HydrophobicContact CE1-CD1 4.33Å; Y345-L354 HydrophobicContact CE1-CD2 4.21Å; Y345-L354 HydrophobicContact CE2-CB 3.98Å; Y345-L354 HydrophobicContact CE2-CD2 4.44Å; Y345-L354 HydrophobicContact CG-CB 3.96Å; A351-L354 PolarHBondContact O-N 3.27Å; L354-R356 PolarHBondContact O-N 2.96Å; L354-A357 WeakPolarHBondContact O-CB 3.31Å; L354-A357 PolarHBondContact O-N 3.32Å; L354-L358 HydrophobicContact CD1-CD1 4.17Å; L354-L358 HydrophobicContact CD1-CG 4.26Å; L354-L358 HydrophobicContact CG-CD1 4.06Å; L354-L358 WeakPolarHBondContact O-CG 3.35Å; L354-L358 PolarHBondContact O-N 3.06Å |
| 355 | H | 97.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.2 | -52.4 | 174.1 | 166.7 | 89.4 | 0 | 0 | 0 | 111.4 | E12 F14 Y23 A351 K352 A357 L358 K359 | E12-H355 PolarHBondContact O-CE1 3.09Å; E12-H355 PolarHBondContact O-NE2 3.15Å; F14-H355 HydrophobicContact CB-CB 4.23Å; F14-H355 HydrophobicContact CD2-CB 3.77Å; F14-H355 HydrophobicContact CG-CB 4.4Å; Y23-H355 HydrophobicContact CE2-CB 3.87Å; Y23-H355 AromaticContact CZ-ND1 3.45Å; Y23-H355 PolarHBondContact OH-ND1 2.95Å; A351-H355 WeakPolarHBondContact O-CB 3.42Å; A351-H355 PolarHBondContact O-N 3.13Å; K352-H355 WeakPolarHBondContact O-CB 3.25Å; K352-H355 PolarHBondContact O-N 3.08Å; H355-A357 VanDerWaalsContact C-N 3.32Å; H355-A357 PolarHBondContact O-N 2.88Å; H355-L358 PolarHBondContact O-N 3.12Å; H355-L358 VanDerWaalsContact O-N 3.13Å; H355-K359 WeakPolarHBondContact O-CG 3.17Å; H355-K359 PolarHBondContact O-N 3.34Å |
| 356 | R | 98.1 | Very high | 96 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -39.7 | -179.8 | -69.3 | -174.7 | 171.1 | -179.6 | -4.6 | 112.4 | D13 A315 D316 W319 F341 K352 Y353 L354 K359 F360 | D13-R356 IonicContact OD1-CZ 3.95Å; D13-R356 IonicContact OD1-NE 3.11Å; D13-R356 PolarHBondContact OD1-NE 3.21Å; D13-R356 IonicContact OD1-NH2 2.98Å; D13-R356 IonicContact OD2-CZ 3.8Å; D13-R356 IonicContact OD2-NE 2.75Å; D13-R356 IonicContact OD2-NH2 2.93Å; D13-R356 PolarHBondContact OD2-NH2 3.5Å; A315-R356 PolarHBondContact O-NH1 3.21Å; D316-R356 IonicContact OD1-CZ 2.64Å; D316-R356 IonicContact OD1-NH1 2.77Å; D316-R356 PolarHBondContact OD1-NH1 3.27Å; D316-R356 IonicContact OD1-NH2 2.73Å; D316-R356 PolarHBondContact OD1-NH2 3.3Å; W319-R356 HydrophobicContact CD2-CB 4.47Å; W319-R356 HydrophobicContact CD2-CG 3.73Å; W319-R356 HydrophobicContact CE3-CB 3.62Å; W319-R356 HydrophobicContact CE3-CG 3.35Å; W319-R356 HydrophobicContact CG-CG 4.43Å; W319-R356 VanDerWaalsContact CG-CZ 3.44Å; W319-R356 VanDerWaalsContact CG-NE 3.34Å; W319-R356 HydrophobicContact CH2-CG 4.07Å; W319-R356 HydrophobicContact CZ2-CG 4.41Å; W319-R356 HydrophobicContact CZ3-CB 3.67Å; W319-R356 HydrophobicContact CZ3-CG 3.55Å; F341-R356 HydrophobicContact CB-CB 4.45Å; F341-R356 HydrophobicContact CD1-CB 3.86Å; F341-R356 HydrophobicContact CD2-CB 3.88Å; F341-R356 HydrophobicContact CE1-CB 3.98Å; F341-R356 HydrophobicContact CE1-CG 4.47Å; F341-R356 HydrophobicContact CE2-CB 4.01Å; F341-R356 HydrophobicContact CG-CB 3.81Å; F341-R356 HydrophobicContact CZ-CB 4.05Å; K352-R356 WeakPolarHBondContact O-CG 3.39Å; K352-R356 PolarHBondContact O-N 2.63Å; Y353-R356 PolarHBondContact O-N 2.69Å; L354-R356 PolarHBondContact O-N 2.96Å; R356-K359 PolarHBondContact O-N 3.1Å; R356-F360 VanDerWaalsContact O-CD2 3.32Å; R356-F360 WeakPolarHBondContact O-CD2 3.46Å; R356-F360 PolarHBondContact O-N 3.45Å; R356-F360 VanDerWaalsContact O-N 3.09Å |
| 357 | A | 98 | Very high | 95.6 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F341 L342 Y353 L354 H355 K359 F360 A361 | F341-A357 HydrophobicContact CB-CB 3.87Å; L342-A357 HydrophobicContact CD2-CB 3.47Å; L342-A357 VanDerWaalsContact CD2-CB 3.47Å; L342-A357 HydrophobicContact CG-CB 3.8Å; Y353-A357 WeakPolarHBondContact O-CB 3.46Å; Y353-A357 PolarHBondContact O-N 2.96Å; L354-A357 WeakPolarHBondContact O-CB 3.31Å; L354-A357 PolarHBondContact O-N 3.32Å; H355-A357 VanDerWaalsContact C-N 3.32Å; H355-A357 PolarHBondContact O-N 2.88Å; A357-K359 VanDerWaalsContact C-N 3.35Å; A357-K359 PolarHBondContact O-N 2.98Å; A357-F360 WeakPolarHBondContact O-CB 3.2Å; A357-F360 PolarHBondContact O-N 3.21Å; A357-F360 VanDerWaalsContact O-N 3.15Å; A357-A361 PolarHBondContact O-N 3.26Å |
| 358 | L | 97 | Very high | 95.1 | Very high | 10 Ų | 10 | 30 Ų | 30 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.2 | -33.4 | 179.5 | -69.7 | 173.7 | 0 | 0 | 0 | 112.6 | Y23 L31 W35 I39 L354 H355 F360 A361 E362 | Y23-L358 HydrophobicContact CD1-CD1 3.3Å; Y23-L358 HydrophobicContact CE1-CD1 4.2Å; Y23-L358 HydrophobicContact CG-CD1 3.64Å; L31-L358 HydrophobicContact CD1-CD2 4.34Å; L31-L358 HydrophobicContact CD2-CD1 4.14Å; L31-L358 HydrophobicContact CD2-CD2 4.19Å; W35-L358 HydrophobicContact CD2-CD1 4.15Å; W35-L358 HydrophobicContact CD2-CD2 4.1Å; W35-L358 HydrophobicContact CE3-CB 4.35Å; W35-L358 HydrophobicContact CE3-CD2 3.79Å; W35-L358 HydrophobicContact CE3-CG 4.47Å; W35-L358 HydrophobicContact CG-CD1 4.4Å; W35-L358 HydrophobicContact CH2-CB 3.75Å; W35-L358 WeakPolarHBondContact CH2-O 3.28Å; W35-L358 HydrophobicContact CZ2-CB 3.96Å; W35-L358 HydrophobicContact CZ2-CD1 4.49Å; W35-L358 HydrophobicContact CZ3-CB 3.96Å; W35-L358 HydrophobicContact CZ3-CD2 4.1Å; I39-L358 HydrophobicContact CD1-CD2 4.18Å; L354-L358 HydrophobicContact CD1-CD1 4.17Å; L354-L358 HydrophobicContact CD1-CG 4.26Å; L354-L358 HydrophobicContact CG-CD1 4.06Å; L354-L358 WeakPolarHBondContact O-CG 3.35Å; L354-L358 PolarHBondContact O-N 3.06Å; H355-L358 PolarHBondContact O-N 3.12Å; H355-L358 VanDerWaalsContact O-N 3.13Å; L358-F360 VanDerWaalsContact C-N 3.33Å; L358-A361 CarbonylContact O-C 3.13Å; L358-A361 WeakPolarHBondContact O-CB 3.47Å; L358-A361 PolarHBondContact O-N 3.48Å; L358-E362 WeakPolarHBondContact O-CB 3.45Å; L358-E362 PolarHBondContact O-N 2.82Å |
| 359 | K | 97 | Very high | 94.9 | Very high | 41 Ų | 41 | 35.3 Ų | 35.3 | 18% | 0.178 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.2 | -32.7 | 171.2 | -65.8 | -54.7 | 179.6 | -179.1 | 0 | 113.1 | Y11 W319 H355 R356 A357 E362 F363 | Y11-K359 HydrophobicContact CD1-CD 3.98Å; Y11-K359 HydrophobicContact CD2-CB 3.98Å; Y11-K359 WeakPolarHBondContact CE2-O 3.48Å; Y11-K359 HydrophobicContact CG-CB 4.01Å; Y11-K359 HydrophobicContact CG-CD 4.1Å; Y11-K359 HydrophobicContact CG-CG 4.27Å; W319-K359 HydrophobicContact CH2-CB 3.92Å; W319-K359 HydrophobicContact CH2-CG 4.1Å; W319-K359 HydrophobicContact CZ3-CB 3.98Å; H355-K359 WeakPolarHBondContact O-CG 3.17Å; H355-K359 PolarHBondContact O-N 3.34Å; R356-K359 PolarHBondContact O-N 3.1Å; A357-K359 VanDerWaalsContact C-N 3.35Å; A357-K359 PolarHBondContact O-N 2.98Å; K359-E362 WeakPolarHBondContact CD-OE2 3.31Å; K359-E362 IonicContact NZ-OE2 3.54Å; K359-E362 PolarHBondContact NZ-OE2 3.28Å; K359-E362 PolarHBondContact O-N 3.29Å; K359-F363 PolarHBondContact O-N 3.12Å |
| 360 | F | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.6 | -35.9 | 170.5 | -86.3 | -129.2 | 0 | 0 | 0 | 111.7 | I318 W319 L323 V334 N337 F341 R356 A357 L358 F363 I364 F391 | I318-F360 HydrophobicContact CG2-CE1 4.14Å; I318-F360 HydrophobicContact CG2-CZ 4.23Å; I318-F360 WeakPolarHBondContact O-CZ 3.34Å; W319-F360 HydrophobicContact CE3-CD2 4.33Å; W319-F360 AromaticContact CE3-CE2 3.76Å; W319-F360 HydrophobicContact CE3-CE2 3.76Å; W319-F360 HydrophobicContact CZ3-CD2 4.13Å; W319-F360 AromaticContact CZ3-CE2 3.96Å; W319-F360 HydrophobicContact CZ3-CE2 3.96Å; L323-F360 HydrophobicContact CD2-CD1 4.13Å; L323-F360 HydrophobicContact CD2-CD2 3.99Å; L323-F360 HydrophobicContact CD2-CE1 3.93Å; L323-F360 HydrophobicContact CD2-CE2 3.77Å; L323-F360 HydrophobicContact CD2-CG 4.15Å; L323-F360 HydrophobicContact CD2-CZ 3.73Å; L323-F360 HydrophobicContact CG-CE2 4.31Å; L323-F360 HydrophobicContact CG-CZ 4.18Å; V334-F360 HydrophobicContact CG1-CB 4.14Å; V334-F360 HydrophobicContact CG1-CD1 3.56Å; V334-F360 HydrophobicContact CG1-CE1 4.2Å; V334-F360 HydrophobicContact CG1-CG 4.07Å; V334-F360 WeakPolarHBondContact O-CD1 3.25Å; N337-F360 HydrophobicContact CB-CD1 4.27Å; N337-F360 HydrophobicContact CB-CE1 3.84Å; F341-F360 HydrophobicContact CD2-CD2 4.44Å; F341-F360 HydrophobicContact CD2-CG 4.46Å; F341-F360 HydrophobicContact CE2-CD1 4.15Å; F341-F360 AromaticContact CE2-CD2 3.81Å; F341-F360 HydrophobicContact CE2-CD2 3.81Å; F341-F360 AromaticContact CE2-CE1 3.99Å; F341-F360 HydrophobicContact CE2-CE1 3.99Å; F341-F360 AromaticContact CE2-CE2 3.63Å; F341-F360 HydrophobicContact CE2-CE2 3.63Å; F341-F360 HydrophobicContact CE2-CG 4.09Å; F341-F360 AromaticContact CE2-CZ 3.73Å; F341-F360 HydrophobicContact CE2-CZ 3.73Å; F341-F360 HydrophobicContact CZ-CE2 4.26Å; F341-F360 HydrophobicContact CZ-CZ 4.28Å; R356-F360 VanDerWaalsContact O-CD2 3.32Å; R356-F360 WeakPolarHBondContact O-CD2 3.46Å; R356-F360 PolarHBondContact O-N 3.45Å; R356-F360 VanDerWaalsContact O-N 3.09Å; A357-F360 WeakPolarHBondContact O-CB 3.2Å; A357-F360 PolarHBondContact O-N 3.21Å; A357-F360 VanDerWaalsContact O-N 3.15Å; L358-F360 VanDerWaalsContact C-N 3.33Å; F360-F363 WeakPolarHBondContact O-CB 3.39Å; F360-F363 PolarHBondContact O-N 2.85Å; F360-I364 WeakPolarHBondContact O-CG1 3.42Å; F360-I364 PolarHBondContact O-N 2.87Å; F360-F391 HydrophobicContact CB-CE1 4.44Å; F360-F391 HydrophobicContact CB-CZ 4.47Å |
| 361 | A | 96.4 | Very high | 94.6 | Very high | 13 Ų | 13 | 33 Ų | 33 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.7 | -41.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A357 L358 F363 I364 F365 F391 | A357-A361 PolarHBondContact O-N 3.26Å; L358-A361 CarbonylContact O-C 3.13Å; L358-A361 WeakPolarHBondContact O-CB 3.47Å; L358-A361 PolarHBondContact O-N 3.48Å; A361-F363 VanDerWaalsContact C-N 3.29Å; A361-F363 PolarHBondContact O-N 3.46Å; A361-I364 CarbonylContact O-C 3.5Å; A361-I364 WeakPolarHBondContact O-CA 3.28Å; A361-I364 WeakPolarHBondContact O-CB 3.4Å; A361-I364 PolarHBondContact O-N 2.87Å; A361-F365 HydrophobicContact CB-CE1 4.36Å; A361-F365 HydrophobicContact CB-CZ 4.38Å; A361-F365 WeakPolarHBondContact O-CD1 3.42Å; A361-F365 WeakPolarHBondContact O-CG 3.41Å; A361-F365 PolarHBondContact O-N 2.95Å; A361-F391 HydrophobicContact CB-CE1 3.94Å |
| 362 | E | 95.6 | Very high | 94.4 | Very high | 58 Ų | 58 | 33.8 Ų | 33.8 | 27% | 0.271 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.2 | -41.8 | 175.2 | -169.3 | 170.4 | -177.5 | 0 | 0 | 111.4 | Y11 W35 L358 K359 I364 F365 | Y11-E362 HydrophobicContact CE1-CG 4.32Å; W35-E362 HydrophobicContact CH2-CB 4.23Å; L358-E362 WeakPolarHBondContact O-CB 3.45Å; L358-E362 PolarHBondContact O-N 2.82Å; K359-E362 WeakPolarHBondContact CD-OE2 3.31Å; K359-E362 IonicContact NZ-OE2 3.54Å; K359-E362 PolarHBondContact NZ-OE2 3.28Å; K359-E362 PolarHBondContact O-N 3.29Å; E362-I364 VanDerWaalsContact C-N 3.28Å; E362-I364 PolarHBondContact O-N 2.83Å; E362-F365 HydrophobicContact CB-CD2 4.48Å; E362-F365 HydrophobicContact CG-CD2 4.5Å; E362-F365 WeakPolarHBondContact O-CB 3.24Å; E362-F365 PolarHBondContact O-N 2.93Å; E362-F365 VanDerWaalsContact O-N 3.08Å |
| 363 | F | 95.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.8 | -38.7 | 172.3 | -173.4 | -89.8 | 0 | 0 | 0 | 113 | I7 Y11 L323 Y328 V334 K359 F360 A361 F365 D366 H370 | I7-F363 HydrophobicContact CD1-CE2 4.26Å; I7-F363 HydrophobicContact CD1-CZ 3.59Å; I7-F363 HydrophobicContact CG2-CE2 4.4Å; Y11-F363 HydrophobicContact CE2-CB 4.02Å; Y11-F363 HydrophobicContact CE2-CD2 4.27Å; Y11-F363 WeakPolarHBondContact OH-CA 3.45Å; Y11-F363 WeakPolarHBondContact OH-CB 3.43Å; Y11-F363 PolarHBondContact OH-N 2.48Å; L323-F363 HydrophobicContact CB-CE2 4.44Å; L323-F363 HydrophobicContact CD1-CD2 3.9Å; L323-F363 HydrophobicContact CD1-CE2 4.12Å; L323-F363 HydrophobicContact CD2-CB 4.18Å; L323-F363 HydrophobicContact CD2-CD1 4.27Å; L323-F363 HydrophobicContact CD2-CD2 4.06Å; L323-F363 HydrophobicContact CD2-CG 3.9Å; L323-F363 HydrophobicContact CG-CD2 4.46Å; Y328-F363 AromaticContact CD1-CD1 4Å; Y328-F363 HydrophobicContact CD1-CD1 4Å; Y328-F363 AromaticContact CD1-CE1 3.91Å; Y328-F363 HydrophobicContact CD1-CE1 3.91Å; Y328-F363 AromaticContact CE1-CD1 3.68Å; Y328-F363 HydrophobicContact CE1-CD1 3.68Å; Y328-F363 AromaticContact CE1-CE1 3.38Å; Y328-F363 HydrophobicContact CE1-CE1 3.38Å; Y328-F363 HydrophobicContact CE1-CZ 4.42Å; V334-F363 HydrophobicContact CB-CD1 4.23Å; V334-F363 HydrophobicContact CG1-CD1 3.87Å; V334-F363 HydrophobicContact CG1-CG 4.46Å; V334-F363 HydrophobicContact CG2-CD1 3.83Å; V334-F363 HydrophobicContact CG2-CE1 3.68Å; K359-F363 PolarHBondContact O-N 3.12Å; F360-F363 WeakPolarHBondContact O-CB 3.39Å; F360-F363 PolarHBondContact O-N 2.85Å; A361-F363 VanDerWaalsContact C-N 3.29Å; A361-F363 PolarHBondContact O-N 3.46Å; F363-F365 VanDerWaalsContact C-N 3.32Å; F363-D366 PolarHBondContact O-N 3.01Å; F363-H370 AromaticContact CD1-CD2 3.83Å; F363-H370 AromaticContact CD2-CD2 3.91Å; F363-H370 AromaticContact CD2-NE2 3.65Å; F363-H370 AromaticContact CE1-CD2 3.33Å; F363-H370 WeakPolarHBondContact CE1-CD2 3.13Å; F363-H370 AromaticContact CE1-NE2 3.97Å; F363-H370 HydrophobicContact CE2-CB 4.34Å; F363-H370 AromaticContact CE2-CD2 3.42Å; F363-H370 VanDerWaalsContact CE2-CD2 3.42Å; F363-H370 WeakPolarHBondContact CE2-CD2 3.28Å; F363-H370 AromaticContact CE2-CE1 3.9Å; F363-H370 AromaticContact CE2-CG 3.67Å; F363-H370 AromaticContact CE2-ND1 3.98Å; F363-H370 AromaticContact CE2-NE2 3.58Å; F363-H370 AromaticContact CG-NE2 3.87Å; F363-H370 HydrophobicContact CZ-CB 3.78Å; F363-H370 AromaticContact CZ-CD2 3.1Å; F363-H370 WeakPolarHBondContact CZ-CD2 3.46Å; F363-H370 AromaticContact CZ-CG 3.44Å; F363-H370 VanDerWaalsContact CZ-CG 3.44Å; F363-H370 AromaticContact CZ-NE2 3.74Å; F363-H370 PolarHBondContact O-NE2 3.12Å |
| 364 | I | 94.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.6 | -25.2 | 177.3 | -68.6 | 163.2 | 0 | 0 | 0 | 111.7 | Y328 V334 A335 F360 A361 E362 D366 Y367 C388 F391 | Y328-I364 HydrophobicContact CD1-CG1 3.96Å; V334-I364 HydrophobicContact CB-CG1 4.45Å; V334-I364 HydrophobicContact CG1-CD1 4.34Å; V334-I364 HydrophobicContact CG1-CG1 4.25Å; A335-I364 HydrophobicContact CB-CD1 3.91Å; F360-I364 WeakPolarHBondContact O-CG1 3.42Å; F360-I364 PolarHBondContact O-N 2.87Å; A361-I364 CarbonylContact O-C 3.5Å; A361-I364 WeakPolarHBondContact O-CA 3.28Å; A361-I364 WeakPolarHBondContact O-CB 3.4Å; A361-I364 PolarHBondContact O-N 2.87Å; E362-I364 VanDerWaalsContact C-N 3.28Å; E362-I364 PolarHBondContact O-N 2.83Å; I364-D366 PolarHBondContact O-N 2.83Å; I364-Y367 WeakPolarHBondContact O-CA 3.35Å; I364-Y367 VanDerWaalsContact O-CB 3.27Å; I364-Y367 WeakPolarHBondContact O-CB 3.35Å; I364-Y367 PolarHBondContact O-N 3.1Å; I364-C388 HydrophobicContact CG2-CB 3.59Å; I364-F391 HydrophobicContact CD1-CD1 3.59Å; I364-F391 HydrophobicContact CD1-CE1 3.96Å |
| 365 | F | 93.7 | Very high | 92.9 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.3 | -30.3 | 175.5 | -61.5 | -15.1 | 0 | 0 | 0 | 111.9 | W35 K38 I39 K42 A361 E362 F363 Y367 | W35-F365 HydrophobicContact CE3-CE2 4.44Å; W35-F365 AromaticContact CZ3-CE2 3.89Å; W35-F365 HydrophobicContact CZ3-CE2 3.89Å; W35-F365 HydrophobicContact CZ3-CZ 4.16Å; K38-F365 HydrophobicContact CB-CE2 3.93Å; K38-F365 HydrophobicContact CB-CZ 4.23Å; I39-F365 HydrophobicContact CG1-CE1 4.24Å; I39-F365 HydrophobicContact CG1-CZ 3.75Å; K42-F365 HydrophobicContact CB-CD1 3.92Å; K42-F365 HydrophobicContact CB-CE1 4.06Å; K42-F365 HydrophobicContact CD-CB 4.41Å; K42-F365 HydrophobicContact CD-CD1 4.18Å; K42-F365 WeakPolarHBondContact CE-O 3.28Å; K42-F365 HydrophobicContact CG-CD1 3.76Å; K42-F365 HydrophobicContact CG-CE1 4.3Å; K42-F365 PolarHBondContact NZ-O 3.39Å; A361-F365 HydrophobicContact CB-CE1 4.36Å; A361-F365 HydrophobicContact CB-CZ 4.38Å; A361-F365 WeakPolarHBondContact O-CD1 3.42Å; A361-F365 WeakPolarHBondContact O-CG 3.41Å; A361-F365 PolarHBondContact O-N 2.95Å; E362-F365 HydrophobicContact CB-CD2 4.48Å; E362-F365 HydrophobicContact CG-CD2 4.5Å; E362-F365 WeakPolarHBondContact O-CB 3.24Å; E362-F365 PolarHBondContact O-N 2.93Å; E362-F365 VanDerWaalsContact O-N 3.08Å; F363-F365 VanDerWaalsContact C-N 3.32Å; F365-Y367 VanDerWaalsContact C-N 3.25Å; F365-Y367 PolarHBondContact O-N 3.33Å |
| 366 | D | 92.1 | Very high | 92.4 | Very high | 60 Ų | 60 | 54.1 Ų | 54.1 | 32% | 0.321 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 30.4 | 171.5 | -75 | -40.2 | 0 | 0 | 0 | 113.6 | F363 I364 G368 K369 H370 | F363-D366 PolarHBondContact O-N 3.01Å; I364-D366 PolarHBondContact O-N 2.83Å; D366-G368 PolarHBondContact O-N 2.88Å; D366-G368 VanDerWaalsContact O-N 3.16Å; D366-K369 HydrophobicContact CB-CB 4.27Å; D366-K369 HydrophobicContact CB-CD 4Å; D366-K369 HydrophobicContact CB-CG 4.42Å; D366-K369 VanDerWaalsContact O-CB 3.29Å; D366-K369 WeakPolarHBondContact O-CB 3.29Å; D366-K369 WeakPolarHBondContact O-CG 3.16Å; D366-K369 PolarHBondContact O-N 3.11Å; D366-K369 WeakPolarHBondContact OD1-CD 3.35Å; D366-K369 WeakPolarHBondContact OD1-CE 3.35Å; D366-K369 IonicContact OD1-NZ 2.65Å; D366-K369 PolarHBondContact OD1-NZ 3.01Å; D366-H370 WeakPolarHBondContact CB-NE2 3.22Å |
| 367 | Y | 87.9 | Confident | 91.7 | Very high | 50 Ų | 50 | 60 Ų | 60 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.9 | 122.9 | 177.5 | -172 | -79.5 | 0 | 0 | 0 | 112.1 | Y328 I364 F365 K369 K385 C388 | Y328-Y367 HydrophobicContact CD1-CD2 4.18Å; Y328-Y367 AromaticContact CD2-CD2 3.6Å; Y328-Y367 HydrophobicContact CD2-CD2 3.6Å; Y328-Y367 AromaticContact CD2-CE2 3.4Å; Y328-Y367 HydrophobicContact CD2-CE2 3.4Å; Y328-Y367 VanDerWaalsContact CD2-CE2 3.4Å; Y328-Y367 HydrophobicContact CD2-CG 4.37Å; Y328-Y367 AromaticContact CD2-CZ 3.99Å; Y328-Y367 HydrophobicContact CE2-CD2 4.06Å; Y328-Y367 HydrophobicContact CE2-CE2 4.12Å; Y328-Y367 HydrophobicContact CE2-CG 4.4Å; Y328-Y367 AromaticContact CG-CD2 3.69Å; Y328-Y367 HydrophobicContact CG-CD2 3.69Å; Y328-Y367 AromaticContact CG-CE2 3.74Å; Y328-Y367 HydrophobicContact CG-CE2 3.74Å; I364-Y367 WeakPolarHBondContact O-CA 3.35Å; I364-Y367 VanDerWaalsContact O-CB 3.27Å; I364-Y367 WeakPolarHBondContact O-CB 3.35Å; I364-Y367 PolarHBondContact O-N 3.1Å; F365-Y367 VanDerWaalsContact C-N 3.25Å; F365-Y367 PolarHBondContact O-N 3.33Å; Y367-K369 VanDerWaalsContact C-N 3.35Å; Y367-K385 HydrophobicContact CE1-CD 4.47Å; Y367-K385 HydrophobicContact CE1-CG 3.82Å; Y367-K385 HydrophobicContact CE2-CG 4.23Å; Y367-K385 VanDerWaalsContact CZ-CG 3.48Å; Y367-K385 WeakPolarHBondContact OH-CG 3.11Å; Y367-C388 VanDerWaalsContact CE2-SG 3.58Å |
| 368 | G | 86.5 | Confident | 91.1 | Very high | 55 Ų | 55 | 61.5 Ų | 61.5 | 57% | 0.567 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -4.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y328 D366 | Y328-G368 PolarHBondContact OH-N 3.22Å; Y328-G368 VanDerWaalsContact OH-N 3.15Å; D366-G368 PolarHBondContact O-N 2.88Å; D366-G368 VanDerWaalsContact O-N 3.16Å |
| 369 | K | 91.8 | Very high | 90.4 | Very high | 152 Ų | 152 | 61.9 Ų | 61.9 | 66% | 0.661 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -92.9 | -9.5 | 179.8 | -56 | -176.6 | -168.9 | 164.3 | 0 | 114.3 | D366 Y367 | D366-K369 HydrophobicContact CB-CB 4.27Å; D366-K369 HydrophobicContact CB-CD 4Å; D366-K369 HydrophobicContact CB-CG 4.42Å; D366-K369 VanDerWaalsContact O-CB 3.29Å; D366-K369 WeakPolarHBondContact O-CB 3.29Å; D366-K369 WeakPolarHBondContact O-CG 3.16Å; D366-K369 PolarHBondContact O-N 3.11Å; D366-K369 WeakPolarHBondContact OD1-CD 3.35Å; D366-K369 WeakPolarHBondContact OD1-CE 3.35Å; D366-K369 IonicContact OD1-NZ 2.65Å; D366-K369 PolarHBondContact OD1-NZ 3.01Å; Y367-K369 VanDerWaalsContact C-N 3.35Å |
| 370 | H | 91.6 | Very high | 90.1 | Very high | 51 Ų | 51 | 60 Ų | 60 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -95.7 | 9.6 | -175.2 | -53.6 | -53.7 | 0 | 0 | 0 | 115.1 | I7 Y328 F363 D366 C372 | I7-H370 HydrophobicContact CD1-CB 4.05Å; Y328-H370 AromaticContact CE1-CD2 3.77Å; Y328-H370 AromaticContact CZ-CD2 3.84Å; Y328-H370 PolarHBondContact OH-CD2 3.29Å; F363-H370 AromaticContact CD1-CD2 3.83Å; F363-H370 AromaticContact CD2-CD2 3.91Å; F363-H370 AromaticContact CD2-NE2 3.65Å; F363-H370 AromaticContact CE1-CD2 3.33Å; F363-H370 WeakPolarHBondContact CE1-CD2 3.13Å; F363-H370 AromaticContact CE1-NE2 3.97Å; F363-H370 HydrophobicContact CE2-CB 4.34Å; F363-H370 AromaticContact CE2-CD2 3.42Å; F363-H370 VanDerWaalsContact CE2-CD2 3.42Å; F363-H370 WeakPolarHBondContact CE2-CD2 3.28Å; F363-H370 AromaticContact CE2-CE1 3.9Å; F363-H370 AromaticContact CE2-CG 3.67Å; F363-H370 AromaticContact CE2-ND1 3.98Å; F363-H370 AromaticContact CE2-NE2 3.58Å; F363-H370 AromaticContact CG-NE2 3.87Å; F363-H370 HydrophobicContact CZ-CB 3.78Å; F363-H370 AromaticContact CZ-CD2 3.1Å; F363-H370 WeakPolarHBondContact CZ-CD2 3.46Å; F363-H370 AromaticContact CZ-CG 3.44Å; F363-H370 VanDerWaalsContact CZ-CG 3.44Å; F363-H370 AromaticContact CZ-NE2 3.74Å; F363-H370 PolarHBondContact O-NE2 3.12Å; D366-H370 WeakPolarHBondContact CB-NE2 3.22Å; H370-C372 PolarHBondContact O-N 3.27Å |
| 371 | G | 89.8 | Confident | 89.8 | Confident | 67 Ų | 67 | 60.6 Ų | 60.6 | 69% | 0.691 | 32% | 0.318 | S | S | * | . | trans | 68.3 | 20.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 372 | C | 90.2 | Very high | 89.5 | Confident | 24 Ų | 24 | 61.2 Ų | 61.2 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 153 | 175.6 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | Y325 Y328 H370 | Y325-C372 WeakPolarHBondContact O-CA 3.36Å; Y328-C372 HydrophobicContact CD2-CB 4.44Å; Y328-C372 HydrophobicContact CE2-CB 3.74Å; H370-C372 PolarHBondContact O-N 3.27Å |
| 373 | R | 86.5 | Confident | 89.1 | Confident | 197 Ų | 197 | 60.1 Ų | 60.1 | 74% | 0.743 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 148.3 | 173.8 | -61.1 | -178 | -175.2 | 179.6 | 0.7 | 111.3 | Y325 | Y325-R373 PolarHBondContact O-N 3.05Å; Y325-R373 VanDerWaalsContact O-N 3.15Å |
| 374 | I | 86.1 | Confident | 88.1 | Confident | 140 Ų | 140 | 60 Ų | 60 | 72% | 0.718 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 131.9 | 166.3 | -61.8 | 174.3 | 0 | 0 | 0 | 107.5 | P378 | I374-P378 HydrophobicContact CG2-CB 4.01Å; I374-P378 HydrophobicContact CG2-CG 3.68Å |
| 375 | A | 86.9 | Confident | 86.9 | Confident | 24 Ų | 24 | 62.6 Ų | 62.6 | 20% | 0.198 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 154.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R377 P378 E383 | A375-R377 PolarHBondContact O-N 3.13Å; A375-P378 WeakPolarHBondContact O-CD 3.5Å; A375-P378 VanDerWaalsContact O-CG 3.25Å; A375-P378 WeakPolarHBondContact O-CG 3.26Å; A375-E383 HydrophobicContact CB-CB 3.91Å; A375-E383 WeakPolarHBondContact CB-O 3.44Å |
| 376 | D | 86.4 | Confident | 85.7 | Confident | 135 Ų | 135 | 60.8 Ų | 60.8 | 72% | 0.722 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -61.4 | -28.7 | -179.3 | -62.9 | -20 | 0 | 0 | 0 | 112.9 | ||
| 377 | R | 84.8 | Confident | 84.6 | Confident | 128 Ų | 128 | 58 Ų | 58 | 48% | 0.483 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -121.5 | 82.8 | 168.5 | -62.7 | -68 | -178.2 | -104.7 | 4.8 | 108.4 | V67 A375 Y379 S380 G384 | V67-R377 HydrophobicContact CB-CB 4.41Å; V67-R377 HydrophobicContact CB-CG 4.06Å; V67-R377 HydrophobicContact CG1-CB 4.04Å; V67-R377 HydrophobicContact CG1-CG 3.86Å; A375-R377 PolarHBondContact O-N 3.13Å; R377-Y379 PolarHBondContact O-N 3.38Å; R377-S380 PolarHBondContact O-N 3.3Å; R377-S380 PolarHBondContact O-OG 3.4Å; R377-G384 WeakPolarHBondContact O-CA 3.34Å; R377-G384 PolarHBondContact O-N 3Å |
| 378 | P | 84.7 | Confident | 84.2 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 21% | 0.214 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -11.5 | -170.4 | -17.9 | 26.2 | 0 | 0 | 0 | 114.6 | I374 A375 G384 K385 | I374-P378 HydrophobicContact CG2-CB 4.01Å; I374-P378 HydrophobicContact CG2-CG 3.68Å; A375-P378 WeakPolarHBondContact O-CD 3.5Å; A375-P378 VanDerWaalsContact O-CG 3.25Å; A375-P378 WeakPolarHBondContact O-CG 3.26Å; P378-G384 VanDerWaalsContact C-CA 3.43Å; P378-G384 CarbonylContact O-C 3.34Å; P378-G384 VanDerWaalsContact O-CA 3.22Å; P378-G384 WeakPolarHBondContact O-CA 3.41Å; P378-K385 WeakPolarHBondContact O-CB 3.34Å; P378-K385 WeakPolarHBondContact O-CG 3.49Å; P378-K385 PolarHBondContact O-N 3.07Å |
| 379 | Y | 83.4 | Confident | 84.2 | Confident | 19 Ų | 19 | 53.9 Ų | 53.9 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -6.7 | 175.5 | -54.2 | -91.2 | 0 | 0 | 0 | 112.1 | E57 R377 K385 R386 | E57-Y379 HydrophobicContact CB-CD2 3.99Å; E57-Y379 HydrophobicContact CB-CE2 3.6Å; E57-Y379 VanDerWaalsContact CD-OH 3.26Å; E57-Y379 HydrophobicContact CG-CE2 4.19Å; E57-Y379 PolarHBondContact OE1-OH 3.25Å; E57-Y379 WeakPolarHBondContact OE2-CE2 3.35Å; E57-Y379 PolarHBondContact OE2-OH 2.96Å; R377-Y379 PolarHBondContact O-N 3.38Å; Y379-K385 HydrophobicContact CD1-CD 4.33Å; Y379-K385 HydrophobicContact CE1-CD 3.93Å; Y379-K385 PolarHBondContact OH-NZ 3.26Å; Y379-R386 VanDerWaalsContact CB-NH2 3.27Å; Y379-R386 VanDerWaalsContact O-CB 3.26Å; Y379-R386 WeakPolarHBondContact O-CB 3.48Å; Y379-R386 WeakPolarHBondContact O-CD 3.12Å; Y379-R386 WeakPolarHBondContact O-CG 3.21Å; Y379-R386 PolarHBondContact O-NE 3.33Å; Y379-R386 PolarHBondContact O-NH1 2.64Å |
| 380 | S | 90.1 | Very high | 84.1 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | trans | -59.4 | 156.2 | -178.7 | 58.6 | 0 | 0 | 0 | 0 | 114.6 | V67 R377 F382 E383 G384 R386 | V67-S380 VanDerWaalsContact CA-CB 3.49Å; R377-S380 PolarHBondContact O-N 3.3Å; R377-S380 PolarHBondContact O-OG 3.4Å; S380-F382 VanDerWaalsContact C-N 3.29Å; S380-F382 PolarHBondContact O-N 2.92Å; S380-E383 WeakPolarHBondContact OG-CA 3.37Å; S380-E383 VanDerWaalsContact OG-CB 3.27Å; S380-E383 WeakPolarHBondContact OG-CB 3.48Å; S380-E383 PolarHBondContact OG-N 3.34Å; S380-G384 WeakPolarHBondContact O-CA 3.39Å; S380-G384 PolarHBondContact O-N 3.42Å; S380-G384 VanDerWaalsContact O-N 3.12Å; S380-G384 PolarHBondContact OG-N 3.42Å; S380-G384 VanDerWaalsContact OG-N 3.09Å; S380-R386 WeakPolarHBondContact O-CB 3.23Å | ||
| 381 | L | 90.6 | Very high | 84.1 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -30.3 | 174.6 | 179.7 | 63.6 | 0 | 0 | 0 | 112.8 | V65 L74 L75 L330 C387 A390 | V65-L381 HydrophobicContact CG1-CD2 3.98Å; L74-L381 HydrophobicContact CD2-CD2 4.09Å; L75-L381 HydrophobicContact CB-CD1 4.44Å; L330-L381 HydrophobicContact CD1-CD1 4.28Å; L330-L381 HydrophobicContact CD1-CG 4.4Å; L330-L381 WeakPolarHBondContact CD1-O 3.29Å; L381-C387 PolarHBondContact O-SG 2.77Å; L381-A390 HydrophobicContact CD1-CB 3.94Å |
| 382 | F | 91.5 | Very high | 83.8 | Confident | 26 Ų | 26 | 47.2 Ų | 47.2 | 11% | 0.114 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -19.5 | -175.9 | -87.7 | -104.1 | 0 | 0 | 0 | 116.2 | Y66 L114 W284 L330 C331 S380 | Y66-F382 HydrophobicContact CD1-CB 4.28Å; Y66-F382 HydrophobicContact CD2-CB 3.48Å; Y66-F382 VanDerWaalsContact CD2-CB 3.48Å; Y66-F382 AromaticContact CD2-CD1 3.62Å; Y66-F382 HydrophobicContact CD2-CD1 3.62Å; Y66-F382 AromaticContact CD2-CD2 3.93Å; Y66-F382 HydrophobicContact CD2-CD2 3.93Å; Y66-F382 HydrophobicContact CD2-CE1 4.34Å; Y66-F382 AromaticContact CD2-CG 3.37Å; Y66-F382 HydrophobicContact CD2-CG 3.37Å; Y66-F382 HydrophobicContact CE1-CB 4.18Å; Y66-F382 HydrophobicContact CE2-CB 3.4Å; Y66-F382 VanDerWaalsContact CE2-CB 3.4Å; Y66-F382 AromaticContact CE2-CD1 3.47Å; Y66-F382 HydrophobicContact CE2-CD1 3.47Å; Y66-F382 VanDerWaalsContact CE2-CD1 3.47Å; Y66-F382 HydrophobicContact CE2-CE1 4.39Å; Y66-F382 AromaticContact CE2-CG 3.54Å; Y66-F382 HydrophobicContact CE2-CG 3.54Å; Y66-F382 HydrophobicContact CG-CB 3.92Å; Y66-F382 HydrophobicContact CG-CD2 4.46Å; Y66-F382 HydrophobicContact CG-CG 4.13Å; Y66-F382 WeakPolarHBondContact O-CB 3.5Å; Y66-F382 PolarHBondContact O-N 3.09Å; Y66-F382 VanDerWaalsContact O-N 3.14Å; L114-F382 HydrophobicContact CD1-CE1 4.11Å; L114-F382 HydrophobicContact CD1-CZ 3.95Å; L114-F382 HydrophobicContact CD2-CD2 4.17Å; L114-F382 HydrophobicContact CD2-CE1 4.23Å; L114-F382 HydrophobicContact CD2-CE2 3.31Å; L114-F382 HydrophobicContact CD2-CZ 3.35Å; L114-F382 HydrophobicContact CG-CZ 4.32Å; W284-F382 AromaticContact CH2-CE1 3.98Å; W284-F382 HydrophobicContact CH2-CE1 3.98Å; W284-F382 HydrophobicContact CZ3-CD1 4.23Å; W284-F382 AromaticContact CZ3-CE1 3.93Å; W284-F382 HydrophobicContact CZ3-CE1 3.93Å; L330-F382 HydrophobicContact CB-CD1 4.39Å; L330-F382 PolarHBondContact N-O 3.1Å; C331-F382 HydrophobicContact CB-CB 4.33Å; C331-F382 HydrophobicContact CB-CD1 4.12Å; C331-F382 WeakPolarHBondContact CB-O 3.39Å; C331-F382 PolarHBondContact N-O 3.45Å; S380-F382 VanDerWaalsContact C-N 3.29Å; S380-F382 PolarHBondContact O-N 2.92Å |
| 383 | E | 86 | Confident | 83.5 | Confident | 36 Ų | 36 | 48.4 Ų | 48.4 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | -34.8 | -179.5 | -46.6 | -177.2 | 151.7 | 0 | 0 | 113.2 | Y66 V67 A375 S380 C387 | Y66-E383 HydrophobicContact CE1-CG 4.11Å; V67-E383 HydrophobicContact CG1-CG 4.24Å; A375-E383 HydrophobicContact CB-CB 3.91Å; A375-E383 WeakPolarHBondContact CB-O 3.44Å; S380-E383 WeakPolarHBondContact OG-CA 3.37Å; S380-E383 VanDerWaalsContact OG-CB 3.27Å; S380-E383 WeakPolarHBondContact OG-CB 3.48Å; S380-E383 PolarHBondContact OG-N 3.34Å; E383-C387 PolarHBondContact N-SG 2.88Å; E383-C387 VanDerWaalsContact N-SG 3.37Å |
| 384 | G | 75.3 | Confident | 83.3 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -92.4 | -167.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | R377 P378 S380 R386 C387 | R377-G384 WeakPolarHBondContact O-CA 3.34Å; R377-G384 PolarHBondContact O-N 3Å; P378-G384 VanDerWaalsContact C-CA 3.43Å; P378-G384 CarbonylContact O-C 3.34Å; P378-G384 VanDerWaalsContact O-CA 3.22Å; P378-G384 WeakPolarHBondContact O-CA 3.41Å; S380-G384 WeakPolarHBondContact O-CA 3.39Å; S380-G384 PolarHBondContact O-N 3.42Å; S380-G384 VanDerWaalsContact O-N 3.12Å; S380-G384 PolarHBondContact OG-N 3.42Å; S380-G384 VanDerWaalsContact OG-N 3.09Å; G384-R386 PolarHBondContact O-N 2.91Å; G384-C387 WeakPolarHBondContact O-CB 3.45Å; G384-C387 PolarHBondContact O-N 2.9Å; G384-C387 VanDerWaalsContact O-N 3.1Å; G384-C387 PolarHBondContact O-SG 3.4Å |
| 385 | K | 68 | Low | 83.1 | Confident | 59 Ų | 59 | 34.2 Ų | 34.2 | 26% | 0.257 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -33.9 | 174.1 | -69.4 | 169 | -176.8 | 171.6 | 0 | 113.2 | Y367 P378 Y379 C387 C388 | Y367-K385 HydrophobicContact CE1-CD 4.47Å; Y367-K385 HydrophobicContact CE1-CG 3.82Å; Y367-K385 HydrophobicContact CE2-CG 4.23Å; Y367-K385 VanDerWaalsContact CZ-CG 3.48Å; Y367-K385 WeakPolarHBondContact OH-CG 3.11Å; P378-K385 WeakPolarHBondContact O-CB 3.34Å; P378-K385 WeakPolarHBondContact O-CG 3.49Å; P378-K385 PolarHBondContact O-N 3.07Å; Y379-K385 HydrophobicContact CD1-CD 4.33Å; Y379-K385 HydrophobicContact CE1-CD 3.93Å; Y379-K385 PolarHBondContact OH-NZ 3.26Å; K385-C387 PolarHBondContact O-N 3Å; K385-C388 WeakPolarHBondContact O-CB 3.26Å; K385-C388 PolarHBondContact O-N 3.43Å; K385-C388 VanDerWaalsContact O-N 3.1Å |
| 386 | R | 68.6 | Low | 82.9 | Confident | 6 Ų | 6 | 34.9 Ų | 34.9 | 2% | 0.023 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -26.9 | 180 | -74.9 | -177.8 | -153.8 | 129 | 0 | 112.5 | L50 L75 Y379 S380 G384 C388 L389 A390 | L50-R386 HydrophobicContact CD1-CG 3.71Å; L50-R386 HydrophobicContact CD2-CG 4.2Å; L75-R386 HydrophobicContact CD2-CB 3.68Å; L75-R386 HydrophobicContact CD2-CG 3.79Å; Y379-R386 VanDerWaalsContact CB-NH2 3.27Å; Y379-R386 VanDerWaalsContact O-CB 3.26Å; Y379-R386 WeakPolarHBondContact O-CB 3.48Å; Y379-R386 WeakPolarHBondContact O-CD 3.12Å; Y379-R386 WeakPolarHBondContact O-CG 3.21Å; Y379-R386 PolarHBondContact O-NE 3.33Å; Y379-R386 PolarHBondContact O-NH1 2.64Å; S380-R386 WeakPolarHBondContact O-CB 3.23Å; G384-R386 PolarHBondContact O-N 2.91Å; R386-C388 PolarHBondContact O-N 2.98Å; R386-L389 PolarHBondContact O-N 3.28Å; R386-L389 VanDerWaalsContact O-N 3.15Å; R386-A390 PolarHBondContact O-N 3.41Å; R386-A390 VanDerWaalsContact O-N 3.12Å |
| 387 | C | 69.4 | Low | 82.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.9 | -40.4 | 173.9 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | G329 L330 A335 L381 E383 G384 K385 L389 A390 F391 | G329-C387 VanDerWaalsContact CA-CB 3.41Å; G329-C387 WeakPolarHBondContact CA-SG 3.36Å; L330-C387 HydrophobicContact CB-CB 4.36Å; L330-C387 HydrophobicContact CD2-CB 4.31Å; L330-C387 HydrophobicContact CG-CB 3.73Å; L330-C387 VanDerWaalsContact N-CB 3.33Å; L330-C387 PolarHBondContact N-SG 2.93Å; A335-C387 HydrophobicContact CB-CB 4.44Å; L381-C387 PolarHBondContact O-SG 2.77Å; E383-C387 PolarHBondContact N-SG 2.88Å; E383-C387 VanDerWaalsContact N-SG 3.37Å; G384-C387 WeakPolarHBondContact O-CB 3.45Å; G384-C387 PolarHBondContact O-N 2.9Å; G384-C387 VanDerWaalsContact O-N 3.1Å; G384-C387 PolarHBondContact O-SG 3.4Å; K385-C387 PolarHBondContact O-N 3Å; C387-L389 VanDerWaalsContact C-N 3.29Å; C387-L389 PolarHBondContact O-N 3.18Å; C387-A390 PolarHBondContact O-N 2.98Å; C387-F391 PolarHBondContact O-N 2.63Å; C387-F391 VanDerWaalsContact O-N 3.13Å |
| 388 | C | 79.3 | Confident | 82.5 | Confident | 6 Ų | 6 | 21.1 Ų | 21.1 | 4% | 0.041 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -73.7 | -22 | -178.3 | -58.6 | 0 | 0 | 0 | 0 | 113.3 | L46 Y328 I364 Y367 K385 R386 F391 | L46-C388 HydrophobicContact CD1-CB 3.84Å; Y328-C388 WeakPolarHBondContact CB-SG 3.09Å; I364-C388 HydrophobicContact CG2-CB 3.59Å; Y367-C388 VanDerWaalsContact CE2-SG 3.58Å; K385-C388 WeakPolarHBondContact O-CB 3.26Å; K385-C388 PolarHBondContact O-N 3.43Å; K385-C388 VanDerWaalsContact O-N 3.1Å; R386-C388 PolarHBondContact O-N 2.98Å; C388-F391 VanDerWaalsContact O-OXT 3.09Å |
| 389 | L | 86.9 | Confident | 82.3 | Confident | 14 Ų | 14 | 20.2 Ų | 20.2 | 7% | 0.073 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -83.5 | -28.6 | 174.4 | -170.4 | 64.8 | 0 | 0 | 0 | 110.8 | I43 L46 L50 L75 M79 R386 C387 | I43-L389 HydrophobicContact CB-CD1 3.93Å; I43-L389 HydrophobicContact CG1-CD1 3.98Å; I43-L389 HydrophobicContact CG2-CD1 3.69Å; L46-L389 HydrophobicContact CB-CD1 4.22Å; L50-L389 HydrophobicContact CD2-CD2 4.01Å; L75-L389 HydrophobicContact CD1-CB 4.26Å; L75-L389 HydrophobicContact CD1-CD2 4.33Å; L75-L389 HydrophobicContact CD1-CG 4.16Å; L75-L389 HydrophobicContact CD2-CB 4.15Å; L75-L389 HydrophobicContact CD2-CD2 3.83Å; L75-L389 HydrophobicContact CD2-CG 4.32Å; L75-L389 HydrophobicContact CG-CD2 4.14Å; L75-L389 HydrophobicContact CG-CG 4.5Å; M79-L389 HydrophobicContact CE-CD2 4.3Å; M79-L389 HydrophobicContact SD-CD2 3.61Å; M79-L389 HydrophobicContact SD-CG 4.17Å; R386-L389 PolarHBondContact O-N 3.28Å; R386-L389 VanDerWaalsContact O-N 3.15Å; C387-L389 VanDerWaalsContact C-N 3.29Å; C387-L389 PolarHBondContact O-N 3.18Å |
| 390 | A | 89.4 | Confident | 82.2 | Confident | 27 Ų | 27 | 20.3 Ų | 20.3 | 22% | 0.223 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -75.2 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L75 L330 Y339 L381 R386 C387 | L75-A390 HydrophobicContact CD1-CB 3.95Å; L330-A390 HydrophobicContact CD1-CB 4.2Å; Y339-A390 PolarHBondContact OH-O 3.48Å; L381-A390 HydrophobicContact CD1-CB 3.94Å; R386-A390 PolarHBondContact O-N 3.41Å; R386-A390 VanDerWaalsContact O-N 3.12Å; C387-A390 PolarHBondContact O-N 2.98Å |
| 391 | F | 91.8 | Very high | 81.5 | Confident | 54 Ų | 54 | 21.9 Ų | 21.9 | 24% | 0.237 | 11% | 0.11 | C | C | . | . | trans | -77.5 | 0 | 171.5 | 175 | -113.2 | 0 | 0 | 0 | 110.2 | A335 Y339 L342 F360 A361 I364 C387 C388 | A335-F391 HydrophobicContact CB-CB 3.68Å; A335-F391 HydrophobicContact CB-CD1 4.23Å; A335-F391 HydrophobicContact CB-CG 4.12Å; Y339-F391 HydrophobicContact CD2-CB 4.06Å; Y339-F391 AromaticContact CD2-CD2 3.58Å; Y339-F391 HydrophobicContact CD2-CD2 3.58Å; Y339-F391 HydrophobicContact CD2-CG 4.24Å; Y339-F391 HydrophobicContact CE2-CB 3.57Å; Y339-F391 AromaticContact CE2-CD2 3.72Å; Y339-F391 HydrophobicContact CE2-CD2 3.72Å; Y339-F391 HydrophobicContact CE2-CG 4.13Å; Y339-F391 HydrophobicContact CG-CD2 4.05Å; L342-F391 HydrophobicContact CD1-CD2 4.05Å; L342-F391 HydrophobicContact CD1-CE2 3.57Å; L342-F391 HydrophobicContact CG-CE2 4.12Å; F360-F391 HydrophobicContact CB-CE1 4.44Å; F360-F391 HydrophobicContact CB-CZ 4.47Å; A361-F391 HydrophobicContact CB-CE1 3.94Å; I364-F391 HydrophobicContact CD1-CD1 3.59Å; I364-F391 HydrophobicContact CD1-CE1 3.96Å; C387-F391 PolarHBondContact O-N 2.63Å; C387-F391 VanDerWaalsContact O-N 3.13Å; C388-F391 VanDerWaalsContact O-OXT 3.09Å |
Retrieved 391 of 391 residues in 132.5 ms
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