| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 28.9 | Very low | 32.3 | Very low | 54 Ų | 54 | 60.9 Ų | 60.9 | 27% | 0.266 | 36% | 0.358 | S | S | . | . | 0 | -42.3 | 0 | -129 | -169.2 | -78 | 0 | 0 | 110.9 | W4 Q5 Y117 D181 | M1-W4 PolarHBondContact O-N 3.48Å; M1-Q5 PolarHBondContact O-N 3.29Å; M1-Y117 PolarHBondContact N-OH 2.92Å; M1-D181 WeakPolarHBondContact CE-OD2 3.45Å | |||
| 2 | A | 30.9 | Very low | 31.7 | Very low | 13 Ų | 13 | 64.9 Ų | 64.9 | 11% | 0.107 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -73 | -30.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | W4 Q5 N6 Y326 | A2-W4 PolarHBondContact O-N 2.91Å; A2-Q5 PolarHBondContact O-N 3.42Å; A2-N6 PolarHBondContact O-N 3.45Å; A2-Y326 HydrophobicContact CB-CE1 3.43Å; A2-Y326 VanDerWaalsContact CB-CE1 3.43Å; A2-Y326 VanDerWaalsContact CB-CZ 3.45Å; A2-Y326 WeakPolarHBondContact CB-OH 3.38Å |
| 3 | E | 35.2 | Very low | 32.1 | Very low | 66 Ų | 66 | 69.8 Ų | 69.8 | 31% | 0.308 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -52.3 | -43.8 | 165.7 | -97.4 | 174.4 | 149.7 | 0 | 0 | 110.7 | N6 | E3-N6 PolarHBondContact O-N 2.96Å |
| 4 | W | 40.7 | Very low | 32 | Very low | 51 Ų | 51 | 76 Ų | 76 | 19% | 0.193 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -76.9 | -20.1 | 177.6 | -54.3 | 98.4 | 0 | 0 | 0 | 114.3 | M1 A2 N6 S8 W109 L182 L198 L200 | M1-W4 PolarHBondContact O-N 3.48Å; A2-W4 PolarHBondContact O-N 2.91Å; W4-N6 VanDerWaalsContact C-N 3.26Å; W4-S8 PolarHBondContact O-OG 3.16Å; W4-W109 AromaticContact CH2-CH2 3.99Å; W4-W109 HydrophobicContact CH2-CH2 3.99Å; W4-W109 HydrophobicContact CH2-CZ3 4.07Å; W4-W109 AromaticContact CZ2-CH2 3.74Å; W4-W109 HydrophobicContact CZ2-CH2 3.74Å; W4-W109 HydrophobicContact CZ2-CZ3 4.23Å; W4-L182 HydrophobicContact CD2-CD2 4.19Å; W4-L182 HydrophobicContact CG-CD2 4.12Å; W4-L198 HydrophobicContact CE3-CB 4.18Å; W4-L198 VanDerWaalsContact CE3-O 3.29Å; W4-L198 HydrophobicContact CH2-CB 3.53Å; W4-L198 HydrophobicContact CH2-CD1 3.96Å; W4-L198 HydrophobicContact CH2-CG 4.39Å; W4-L198 HydrophobicContact CZ2-CB 4.22Å; W4-L198 HydrophobicContact CZ2-CD1 4.18Å; W4-L198 HydrophobicContact CZ3-CB 3.5Å; W4-L198 VanDerWaalsContact CZ3-CB 3.5Å; W4-L198 WeakPolarHBondContact CZ3-O 3.47Å; W4-L200 VanDerWaalsContact C-CD1 3.45Å; W4-L200 HydrophobicContact CB-CD1 3.51Å; W4-L200 HydrophobicContact CB-CG 4.39Å; W4-L200 WeakPolarHBondContact O-CD1 3.38Å |
| 5 | Q | 32.8 | Very low | 32 | Very low | 45 Ų | 45 | 74.9 Ų | 74.9 | 21% | 0.21 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -73.9 | -17.9 | 172.8 | -76.5 | -179.3 | -33.3 | 0 | 0 | 112.4 | M1 A2 R320 | M1-Q5 PolarHBondContact O-N 3.29Å; A2-Q5 PolarHBondContact O-N 3.42Å; Q5-R320 PolarHBondContact O-NH2 3.27Å |
| 6 | N | 33.8 | Very low | 32 | Very low | 60 Ų | 60 | 80.6 Ų | 80.6 | 32% | 0.321 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -76.2 | -42.9 | 173.5 | -99.9 | 3.7 | 0 | 0 | 0 | 111.6 | A2 E3 W4 S8 A9 | A2-N6 PolarHBondContact O-N 3.45Å; E3-N6 PolarHBondContact O-N 2.96Å; W4-N6 VanDerWaalsContact C-N 3.26Å; N6-S8 PolarHBondContact O-N 2.85Å; N6-S8 VanDerWaalsContact O-N 3.15Å; N6-A9 PolarHBondContact O-N 2.78Å |
| 7 | S | 32.9 | Very low | 32.6 | Very low | 70 Ų | 70 | 82.6 Ų | 82.6 | 49% | 0.49 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68 | -14.9 | -179.7 | -48.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 8 | S | 29.8 | Very low | 33.3 | Very low | 54 Ų | 54 | 83.1 Ų | 83.1 | 38% | 0.378 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 2.3 | -176.9 | 38.9 | 0 | 0 | 0 | 0 | 114.6 | W4 N6 | W4-S8 PolarHBondContact O-OG 3.16Å; N6-S8 PolarHBondContact O-N 2.85Å; N6-S8 VanDerWaalsContact O-N 3.15Å |
| 9 | A | 29.6 | Very low | 34 | Very low | 43 Ų | 43 | 87.9 Ų | 87.9 | 36% | 0.355 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -110.5 | 6.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | N6 | N6-A9 PolarHBondContact O-N 2.78Š|
| 10 | T | 30.5 | Very low | 34.7 | Very low | 106 Ų | 106 | 94.5 Ų | 94.5 | 65% | 0.65 | 53% | 0.528 | S | S | * | . | trans | -120.6 | 55.4 | -176.3 | 44.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 11 | V | 29.9 | Very low | 35.9 | Very low | 108 Ų | 108 | 94.4 Ų | 94.4 | 66% | 0.655 | 53% | 0.527 | S | S | * | . | trans | -118.1 | 97.2 | 158.9 | -172.5 | 0 | 0 | 0 | 0 | 108.4 | V13 | V11-V13 PolarHBondContact O-N 2.76Š| ||
| 12 | P | 25.7 | Very low | 38.1 | Very low | 109 Ų | 109 | 95.3 Ų | 95.3 | 71% | 0.708 | 54% | 0.535 | S | S | * | . | trans | -66.8 | 115.6 | 165.1 | -0.5 | 15.5 | 0 | 0 | 0 | 107.8 | N14 | P12-N14 PolarHBondContact O-N 3.5Š| ||
| 13 | V | 37.1 | Very low | 40.7 | Very low | 128 Ų | 128 | 97 Ų | 97 | 78% | 0.776 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -69.3 | 84.9 | 163.8 | -179.7 | 0 | 0 | 0 | 0 | 106.6 | V11 | V11-V13 PolarHBondContact O-N 2.76Š|
| 14 | N | 31 | Very low | 42.9 | Very low | 157 Ų | 157 | 96.9 Ų | 96.9 | 84% | 0.84 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 150.4 | 87.4 | 157.8 | -76.7 | -17.5 | 0 | 0 | 0 | 110.4 | P12 | P12-N14 PolarHBondContact O-N 3.5Š|
| 15 | G | 31.7 | Very low | 45.1 | Very low | 60 Ų | 60 | 97.8 Ų | 97.8 | 62% | 0.619 | 56% | 0.556 | S | S | * | * | S | Bend | trans | 175.3 | 130.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | L17 | G15-L17 PolarHBondContact O-N 3.23Š|
| 16 | N | 32.1 | Very low | 47.6 | Very low | 166 Ų | 166 | 102.1 Ų | 102.1 | 89% | 0.888 | 58% | 0.576 | S | S | * | * | trans | -52.5 | 102.7 | 178.8 | -71.7 | -20.1 | 0 | 0 | 0 | 109.7 | T18 | N16-T18 PolarHBondContact O-N 3.08Š| ||
| 17 | L | 41.6 | Very low | 50.1 | Low | 115 Ų | 115 | 103.9 Ų | 103.9 | 60% | 0.602 | 59% | 0.585 | S | S | * | * | trans | -60.1 | 100.9 | 170.2 | -88.7 | 147.7 | 0 | 0 | 0 | 106.8 | G15 E19 D21 | G15-L17 PolarHBondContact O-N 3.23Å; L17-E19 PolarHBondContact O-N 3.46Å; L17-D21 HydrophobicContact CD2-CB 3.68Å | ||
| 18 | T | 45.1 | Very low | 52.8 | Low | 90 Ų | 90 | 101.5 Ų | 101.5 | 55% | 0.552 | 57% | 0.567 | S | S | * | * | trans | -62 | 136.4 | 165.7 | 42.5 | 0 | 0 | 0 | 0 | 107.6 | N16 R20 D21 | N16-T18 PolarHBondContact O-N 3.08Å; T18-R20 PolarHBondContact O-N 2.95Å; T18-D21 PolarHBondContact O-N 3.42Å | ||
| 19 | E | 47.7 | Very low | 55.6 | Low | 175 Ų | 175 | 103.4 Ų | 103.4 | 82% | 0.818 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.8 | -17.6 | 179 | -158.5 | 174.3 | -162.8 | 0 | 0 | 114.6 | L17 T22 | L17-E19 PolarHBondContact O-N 3.46Å; E19-T22 WeakPolarHBondContact CA-OG1 3.41Å; E19-T22 PolarHBondContact O-OG1 2.85Å |
| 20 | R | 47.8 | Very low | 58.6 | Low | 219 Ų | 219 | 104.5 Ų | 104.5 | 83% | 0.826 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -32.8 | 169.9 | -102.2 | -178.4 | -166.3 | 152.7 | 6.4 | 115 | T18 | T18-R20 PolarHBondContact O-N 2.95Š|
| 21 | D | 59 | Low | 61.5 | Low | 93 Ų | 93 | 100.8 Ų | 100.8 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -25.6 | -177.2 | -70.7 | -21.3 | 0 | 0 | 0 | 111.5 | L17 T18 S24 | L17-D21 HydrophobicContact CD2-CB 3.68Å; T18-D21 PolarHBondContact O-N 3.42Å; D21-S24 PolarHBondContact O-OG 2.95Å |
| 22 | T | 75.8 | Confident | 64.5 | Low | 73 Ų | 73 | 102.8 Ų | 102.8 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -32.4 | -175.5 | 21.4 | 0 | 0 | 0 | 0 | 114.5 | E19 | E19-T22 WeakPolarHBondContact CA-OG1 3.41Å; E19-T22 PolarHBondContact O-OG1 2.85Å |
| 23 | C | 84.9 | Confident | 67.8 | Low | 50 Ų | 50 | 101 Ų | 101 | 34% | 0.338 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | 41.7 | -178 | -64.6 | 0 | 0 | 0 | 0 | 112.9 | C190 A194 | C23-C190 WeakPolarHBondContact CA-SG 3.36Å; C23-C190 HydrophobicContact CB-CB 3.79Å; C23-C190 WeakPolarHBondContact CB-SG 3.42Å; C23-C190 VanDerWaalsContact SG-CA 3.5Å; C23-C190 WeakPolarHBondContact SG-CB 3.43Å; C23-C190 CovalentContact SG-SG 2.04Å; C23-C190 PolarHBondContact SG-SG 2.9Å; C23-A194 HydrophobicContact CB-CB 4.38Å; C23-A194 WeakPolarHBondContact O-CB 3.34Å |
| 24 | S | 81.8 | Confident | 70.6 | Confident | 63 Ų | 63 | 95 Ų | 95 | 44% | 0.441 | 50% | 0.496 | S | S | . | . | trans | -92.7 | 136.2 | 173.5 | 60 | 0 | 0 | 0 | 0 | 110.9 | D21 | D21-S24 PolarHBondContact O-OG 2.95Š| ||
| 25 | Y | 85.9 | Confident | 73.7 | Confident | 70 Ų | 70 | 88.8 Ų | 88.8 | 28% | 0.275 | 46% | 0.461 | S | S | . | . | trans | -104.3 | 125.2 | 170.3 | 172.4 | -106.4 | 0 | 0 | 0 | 108.6 | L27 Y97 D98 Y106 F193 | Y25-L27 HydrophobicContact CE1-CD1 4.25Å; Y25-Y97 VanDerWaalsContact OH-CE2 3.31Å; Y25-Y97 WeakPolarHBondContact OH-CE2 3.21Å; Y25-D98 PolarHBondContact OH-OD1 3.31Å; Y25-D98 PolarHBondContact OH-OD2 2.94Å; Y25-Y106 AromaticContact CE2-CE2 3.92Å; Y25-Y106 HydrophobicContact CE2-CE2 3.92Å; Y25-Y106 AromaticContact CE2-CZ 3.93Å; Y25-F193 HydrophobicContact CD1-CB 3.93Å; Y25-F193 HydrophobicContact CD1-CG 4.32Å; Y25-F193 HydrophobicContact CD2-CB 3.65Å; Y25-F193 HydrophobicContact CE1-CB 4.3Å; Y25-F193 HydrophobicContact CE1-CD1 4.22Å; Y25-F193 HydrophobicContact CE1-CG 4.32Å; Y25-F193 HydrophobicContact CE2-CB 4.06Å; Y25-F193 HydrophobicContact CE2-CD1 4.23Å; Y25-F193 HydrophobicContact CG-CB 3.58Å; Y25-F193 HydrophobicContact CG-CG 4.42Å | ||
| 26 | E | 85.1 | Confident | 76.7 | Confident | 135 Ų | 135 | 94.2 Ų | 94.2 | 63% | 0.631 | 46% | 0.463 | S | S | * | . | trans | -87.5 | 112.5 | 175.9 | -69.2 | -175.9 | 164.8 | 0 | 0 | 109.9 | ||||
| 27 | L | 87.4 | Confident | 79.7 | Confident | 97 Ų | 97 | 89.4 Ų | 89.4 | 51% | 0.508 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 143.6 | 173.5 | -167.8 | 77.5 | 0 | 0 | 0 | 110.1 | Y25 E29 L31 D98 | Y25-L27 HydrophobicContact CE1-CD1 4.25Å; L27-E29 PolarHBondContact O-N 3.5Å; L27-L31 HydrophobicContact CD1-CD2 4.33Å; L27-L31 HydrophobicContact CD2-CD2 3.93Å; L27-L31 HydrophobicContact CG-CD2 4.25Å; L27-D98 HydrophobicContact CD1-CB 3.93Å |
| 28 | L | 90 | Very high | 82.3 | Confident | 20 Ų | 20 | 84.5 Ų | 84.5 | 11% | 0.105 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 124.6 | 175.2 | -177.3 | 66.6 | 0 | 0 | 0 | 112.2 | L31 K34 V95 D98 | L28-L31 HydrophobicContact CB-CD1 4.35Å; L28-L31 HydrophobicContact CD2-CD1 4.25Å; L28-K34 HydrophobicContact CD1-CD 4.08Å; L28-K34 HydrophobicContact CD2-CB 4.47Å; L28-K34 HydrophobicContact CD2-CD 3.7Å; L28-K34 HydrophobicContact CG-CD 3.8Å; L28-V95 HydrophobicContact CD2-CG2 3.79Å; L28-D98 WeakPolarHBondContact CB-OD2 3.28Å; L28-D98 PolarHBondContact N-OD2 3.15Å |
| 29 | E | 88.4 | Confident | 84.7 | Confident | 94 Ų | 94 | 81.2 Ų | 81.2 | 44% | 0.439 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 144.3 | 178 | -62.7 | -176.6 | 164.7 | 0 | 0 | 111.8 | L27 L31 K34 | L27-E29 PolarHBondContact O-N 3.5Å; E29-L31 VanDerWaalsContact C-N 3.25Å; E29-L31 PolarHBondContact O-N 2.92Å; E29-K34 VanDerWaalsContact O-CD 3.32Å; E29-K34 WeakPolarHBondContact O-CD 3.2Å; E29-K34 WeakPolarHBondContact O-CE 3.24Å |
| 30 | F | 91.2 | Very high | 87.1 | Confident | 66 Ų | 66 | 75.6 Ų | 75.6 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 37.5 | 178.9 | -49.3 | -75.4 | 0 | 0 | 0 | 113.9 | E32 V33 K34 E324 F328 | F30-E32 VanDerWaalsContact C-N 3.31Å; F30-E32 PolarHBondContact O-N 3.47Å; F30-E32 VanDerWaalsContact O-N 3.16Å; F30-V33 HydrophobicContact CB-CB 4.34Å; F30-V33 PolarHBondContact O-N 2.96Å; F30-K34 PolarHBondContact O-N 3.17Å; F30-E324 HydrophobicContact CE1-CB 4.48Å; F30-E324 HydrophobicContact CE1-CG 4.32Å; F30-E324 HydrophobicContact CE2-CB 3.87Å; F30-E324 HydrophobicContact CE2-CG 4.03Å; F30-E324 HydrophobicContact CZ-CB 3.65Å; F30-E324 HydrophobicContact CZ-CG 3.43Å; F30-E324 VanDerWaalsContact CZ-CG 3.43Å; F30-E324 WeakPolarHBondContact CZ-OE1 3.37Å; F30-F328 HydrophobicContact CB-CE1 4.49Å; F30-F328 HydrophobicContact CB-CZ 3.88Å; F30-F328 HydrophobicContact CD1-CE2 4.34Å; F30-F328 HydrophobicContact CD1-CZ 4.24Å; F30-F328 HydrophobicContact CD2-CE2 4.21Å; F30-F328 HydrophobicContact CD2-CZ 4.23Å; F30-F328 HydrophobicContact CG-CE2 4.11Å; F30-F328 AromaticContact CG-CZ 3.82Å; F30-F328 HydrophobicContact CG-CZ 3.82Å |
| 31 | L | 92.3 | Very high | 89.4 | Confident | 28 Ų | 28 | 67.1 Ų | 67.1 | 15% | 0.147 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -49.4 | -45.2 | -172.6 | -174.6 | 60.9 | 0 | 0 | 0 | 114 | L27 L28 E29 V33 K34 F35 V95 D98 Y99 | L27-L31 HydrophobicContact CD1-CD2 4.33Å; L27-L31 HydrophobicContact CD2-CD2 3.93Å; L27-L31 HydrophobicContact CG-CD2 4.25Å; L28-L31 HydrophobicContact CB-CD1 4.35Å; L28-L31 HydrophobicContact CD2-CD1 4.25Å; E29-L31 VanDerWaalsContact C-N 3.25Å; E29-L31 PolarHBondContact O-N 2.92Å; L31-V33 PolarHBondContact O-N 3.29Å; L31-K34 PolarHBondContact O-N 3.39Å; L31-F35 WeakPolarHBondContact O-CB 3.4Å; L31-F35 PolarHBondContact O-N 2.93Å; L31-V95 HydrophobicContact CD1-CG1 4.22Å; L31-D98 HydrophobicContact CD1-CB 3.73Å; L31-D98 HydrophobicContact CD2-CB 4.22Å; L31-Y99 HydrophobicContact CD2-CD2 4.43Å; L31-Y99 HydrophobicContact CG-CD2 4.15Å |
| 32 | E | 93.7 | Very high | 91.2 | Very high | 150 Ų | 150 | 62.8 Ų | 62.8 | 70% | 0.701 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.1 | -40.3 | 178.6 | -68 | -169.2 | 170.2 | 0 | 0 | 112.9 | F30 F35 W36 | F30-E32 VanDerWaalsContact C-N 3.31Å; F30-E32 PolarHBondContact O-N 3.47Å; F30-E32 VanDerWaalsContact O-N 3.16Å; E32-F35 WeakPolarHBondContact O-CB 3.17Å; E32-F35 PolarHBondContact O-N 3Å; E32-W36 VanDerWaalsContact O-CD1 3.32Å; E32-W36 PolarHBondContact O-N 3.28Å |
| 33 | V | 94.2 | Very high | 92.2 | Very high | 72 Ų | 72 | 61 Ų | 61 | 44% | 0.436 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.6 | -44.2 | 178.4 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | F30 L31 F35 W36 L37 F328 | F30-V33 HydrophobicContact CB-CB 4.34Å; F30-V33 PolarHBondContact O-N 2.96Å; L31-V33 PolarHBondContact O-N 3.29Å; V33-F35 VanDerWaalsContact C-N 3.28Å; V33-F35 PolarHBondContact O-N 2.79Å; V33-W36 PolarHBondContact O-N 3.45Å; V33-L37 VanDerWaalsContact O-CB 3.24Å; V33-L37 WeakPolarHBondContact O-CB 3.14Å; V33-L37 PolarHBondContact O-N 2.92Å; V33-F328 HydrophobicContact CB-CE1 4.21Å; V33-F328 HydrophobicContact CB-CZ 4.23Å; V33-F328 HydrophobicContact CG1-CE1 3.61Å; V33-F328 HydrophobicContact CG1-CZ 3.89Å |
| 34 | K | 95.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.009 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.2 | -30.3 | 177.1 | -69.5 | -169.5 | -176.3 | -124 | 0 | 112.3 | L28 E29 F30 L31 I38 L39 V95 S327 D331 | L28-K34 HydrophobicContact CD1-CD 4.08Å; L28-K34 HydrophobicContact CD2-CB 4.47Å; L28-K34 HydrophobicContact CD2-CD 3.7Å; L28-K34 HydrophobicContact CG-CD 3.8Å; E29-K34 VanDerWaalsContact O-CD 3.32Å; E29-K34 WeakPolarHBondContact O-CD 3.2Å; E29-K34 WeakPolarHBondContact O-CE 3.24Å; F30-K34 PolarHBondContact O-N 3.17Å; L31-K34 PolarHBondContact O-N 3.39Å; K34-I38 HydrophobicContact CB-CD1 3.89Å; K34-I38 HydrophobicContact CB-CG1 4.27Å; K34-I38 HydrophobicContact CD-CD1 3.89Å; K34-I38 HydrophobicContact CG-CD1 3.85Å; K34-I38 HydrophobicContact CG-CG1 4.49Å; K34-I38 WeakPolarHBondContact O-CA 3.04Å; K34-I38 VanDerWaalsContact O-CB 3.24Å; K34-I38 WeakPolarHBondContact O-CB 3.46Å; K34-I38 PolarHBondContact O-N 2.83Å; K34-L39 PolarHBondContact O-N 3.21Å; K34-V95 HydrophobicContact CB-CG2 4.2Å; K34-S327 WeakPolarHBondContact CE-OG 3.33Å; K34-S327 PolarHBondContact NZ-OG 3.41Å; K34-D331 WeakPolarHBondContact CE-OD2 3.24Å; K34-D331 IonicContact NZ-OD1 2.62Å; K34-D331 PolarHBondContact NZ-OD1 3Å; K34-D331 IonicContact NZ-OD2 3.46Å; K34-D331 PolarHBondContact NZ-OD2 3.41Å |
| 35 | F | 95.8 | Very high | 93.5 | Very high | 27 Ų | 27 | 62.2 Ų | 62.2 | 12% | 0.118 | 31% | 0.313 | C | S | . | . | I | π-helix | trans | -58 | -53 | 171.4 | -177.6 | -88.3 | 0 | 0 | 0 | 111.8 | L31 E32 V33 L39 V40 V95 Y99 F100 | L31-F35 WeakPolarHBondContact O-CB 3.4Å; L31-F35 PolarHBondContact O-N 2.93Å; E32-F35 WeakPolarHBondContact O-CB 3.17Å; E32-F35 PolarHBondContact O-N 3Å; V33-F35 VanDerWaalsContact C-N 3.28Å; V33-F35 PolarHBondContact O-N 2.79Å; F35-L39 HydrophobicContact CD2-CD2 3.65Å; F35-L39 HydrophobicContact CE2-CD2 3.44Å; F35-L39 VanDerWaalsContact CE2-CD2 3.44Å; F35-L39 HydrophobicContact CG-CD2 4.49Å; F35-L39 HydrophobicContact CZ-CD2 4.13Å; F35-L39 VanDerWaalsContact O-CB 3.28Å; F35-L39 WeakPolarHBondContact O-CB 3.1Å; F35-L39 PolarHBondContact O-N 3.41Å; F35-V40 HydrophobicContact CD1-CG2 4.25Å; F35-V40 HydrophobicContact CE1-CG2 3.93Å; F35-V40 PolarHBondContact O-N 3.29Å; F35-V95 HydrophobicContact CB-CG1 4.17Å; F35-V95 HydrophobicContact CD2-CG1 4.38Å; F35-Y99 HydrophobicContact CB-CD2 4.01Å; F35-Y99 HydrophobicContact CB-CE2 4.1Å; F35-Y99 HydrophobicContact CD1-CE2 4.49Å; F35-Y99 AromaticContact CD2-CD1 3.73Å; F35-Y99 HydrophobicContact CD2-CD1 3.73Å; F35-Y99 AromaticContact CD2-CD2 3.46Å; F35-Y99 HydrophobicContact CD2-CD2 3.46Å; F35-Y99 VanDerWaalsContact CD2-CD2 3.46Å; F35-Y99 AromaticContact CD2-CE1 3.97Å; F35-Y99 HydrophobicContact CD2-CE1 3.97Å; F35-Y99 AromaticContact CD2-CE2 3.72Å; F35-Y99 HydrophobicContact CD2-CE2 3.72Å; F35-Y99 AromaticContact CD2-CG 3.47Å; F35-Y99 HydrophobicContact CD2-CG 3.47Å; F35-Y99 VanDerWaalsContact CD2-CG 3.47Å; F35-Y99 AromaticContact CD2-CZ 3.97Å; F35-Y99 AromaticContact CE2-CD1 3.56Å; F35-Y99 HydrophobicContact CE2-CD1 3.56Å; F35-Y99 HydrophobicContact CE2-CD2 4.15Å; F35-Y99 AromaticContact CE2-CE1 3.66Å; F35-Y99 HydrophobicContact CE2-CE1 3.66Å; F35-Y99 HydrophobicContact CE2-CE2 4.25Å; F35-Y99 AromaticContact CE2-CG 3.82Å; F35-Y99 HydrophobicContact CE2-CG 3.82Å; F35-Y99 AromaticContact CG-CD2 3.91Å; F35-Y99 HydrophobicContact CG-CD2 3.91Å; F35-Y99 AromaticContact CG-CE2 3.86Å; F35-Y99 HydrophobicContact CG-CE2 3.86Å; F35-Y99 HydrophobicContact CG-CG 4.37Å; F35-Y99 HydrophobicContact CZ-CD1 4.47Å; F35-Y99 HydrophobicContact CZ-CE1 4.16Å; F35-F100 HydrophobicContact CE2-CE2 4.28Å; F35-F100 HydrophobicContact CE2-CZ 4.39Å |
| 36 | W | 96 | Very high | 94 | Very high | 174 Ų | 174 | 61.3 Ų | 61.3 | 66% | 0.659 | 31% | 0.31 | S | S | * | . | I | π-helix | trans | -71 | -39.5 | 179.4 | -70 | 106.7 | 0 | 0 | 0 | 112.7 | E32 V33 V40 A41 | E32-W36 VanDerWaalsContact O-CD1 3.32Å; E32-W36 PolarHBondContact O-N 3.28Å; V33-W36 PolarHBondContact O-N 3.45Å; W36-V40 HydrophobicContact CE3-CB 4.11Å; W36-V40 HydrophobicContact CE3-CG1 4.2Å; W36-V40 HydrophobicContact CE3-CG2 3.8Å; W36-V40 HydrophobicContact CZ3-CG1 4.36Å; W36-V40 HydrophobicContact CZ3-CG2 4.1Å; W36-V40 WeakPolarHBondContact O-CB 3.21Å; W36-A41 PolarHBondContact O-N 2.54Å |
| 37 | L | 95.1 | Very high | 94.6 | Very high | 64 Ų | 64 | 60.3 Ų | 60.3 | 34% | 0.335 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -79.5 | -50.4 | -173.3 | -175.8 | 63.8 | 0 | 0 | 0 | 113 | V33 A41 G42 F328 L335 | V33-L37 VanDerWaalsContact O-CB 3.24Å; V33-L37 WeakPolarHBondContact O-CB 3.14Å; V33-L37 PolarHBondContact O-N 2.92Å; L37-A41 WeakPolarHBondContact O-CB 3.16Å; L37-G42 PolarHBondContact O-N 2.83Å; L37-F328 HydrophobicContact CD2-CD1 4.43Å; L37-L335 HydrophobicContact CD1-CD1 3.7Å; L37-L335 HydrophobicContact CD2-CD1 4.37Å; L37-L335 HydrophobicContact CG-CD1 3.73Å |
| 38 | I | 96 | Very high | 95.1 | Very high | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -88.2 | -52 | -175.1 | -55.5 | 179.8 | 0 | 0 | 0 | 110.4 | K34 G42 F91 V95 D331 | K34-I38 HydrophobicContact CB-CD1 3.89Å; K34-I38 HydrophobicContact CB-CG1 4.27Å; K34-I38 HydrophobicContact CD-CD1 3.89Å; K34-I38 HydrophobicContact CG-CD1 3.85Å; K34-I38 HydrophobicContact CG-CG1 4.49Å; K34-I38 WeakPolarHBondContact O-CA 3.04Å; K34-I38 VanDerWaalsContact O-CB 3.24Å; K34-I38 WeakPolarHBondContact O-CB 3.46Å; K34-I38 PolarHBondContact O-N 2.83Å; I38-G42 WeakPolarHBondContact O-CA 3.33Å; I38-G42 PolarHBondContact O-N 3.49Å; I38-F91 HydrophobicContact CG2-CB 3.73Å; I38-V95 HydrophobicContact CB-CG2 4.19Å; I38-V95 HydrophobicContact CD1-CG2 4.31Å; I38-V95 HydrophobicContact CG2-CG2 4.24Å; I38-D331 HydrophobicContact CD1-CB 4.26Å |
| 39 | L | 96.4 | Very high | 95.4 | Very high | 22 Ų | 22 | 59.7 Ų | 59.7 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -73.2 | -58 | -175.7 | 177.1 | 67 | 0 | 0 | 0 | 110.4 | K34 F35 S43 P92 V95 L96 | K34-L39 PolarHBondContact O-N 3.21Å; F35-L39 HydrophobicContact CD2-CD2 3.65Å; F35-L39 HydrophobicContact CE2-CD2 3.44Å; F35-L39 VanDerWaalsContact CE2-CD2 3.44Å; F35-L39 HydrophobicContact CG-CD2 4.49Å; F35-L39 HydrophobicContact CZ-CD2 4.13Å; F35-L39 VanDerWaalsContact O-CB 3.28Å; F35-L39 WeakPolarHBondContact O-CB 3.1Å; F35-L39 PolarHBondContact O-N 3.41Å; L39-S43 WeakPolarHBondContact O-CB 3.48Å; L39-S43 PolarHBondContact O-N 2.04Å; L39-S43 PolarHBondContact O-OG 3.1Å; L39-P92 HydrophobicContact CD1-CB 3.75Å; L39-V95 HydrophobicContact CB-CB 4.44Å; L39-V95 HydrophobicContact CB-CG1 4.19Å; L39-L96 HydrophobicContact CD1-CD1 4.09Å; L39-L96 HydrophobicContact CD2-CD1 3.7Å |
| 40 | V | 96.6 | Very high | 95.8 | Very high | 57 Ų | 57 | 56.8 Ų | 56.8 | 35% | 0.345 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -71.3 | -61 | -175 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | F35 W36 G42 S43 V44 | F35-V40 HydrophobicContact CD1-CG2 4.25Å; F35-V40 HydrophobicContact CE1-CG2 3.93Å; F35-V40 PolarHBondContact O-N 3.29Å; W36-V40 HydrophobicContact CE3-CB 4.11Å; W36-V40 HydrophobicContact CE3-CG1 4.2Å; W36-V40 HydrophobicContact CE3-CG2 3.8Å; W36-V40 HydrophobicContact CZ3-CG1 4.36Å; W36-V40 HydrophobicContact CZ3-CG2 4.1Å; W36-V40 WeakPolarHBondContact O-CB 3.21Å; V40-G42 PolarHBondContact O-N 2.95Å; V40-S43 PolarHBondContact O-N 3Å; V40-V44 WeakPolarHBondContact O-CG2 3.12Å; V40-V44 PolarHBondContact O-N 3.38Å |
| 41 | A | 96.5 | Very high | 96 | Very high | 40 Ų | 40 | 57 Ų | 57 | 33% | 0.331 | 29% | 0.294 | S | S | . | . | I | π-helix | trans | -67.1 | -39.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | W36 L37 S43 V44 I45 | W36-A41 PolarHBondContact O-N 2.54Å; L37-A41 WeakPolarHBondContact O-CB 3.16Å; A41-S43 VanDerWaalsContact C-N 3.35Å; A41-S43 PolarHBondContact O-N 3.4Å; A41-V44 PolarHBondContact O-N 3.33Å; A41-I45 WeakPolarHBondContact O-CG1 3.2Å; A41-I45 PolarHBondContact O-N 3.31Å; A41-I45 VanDerWaalsContact O-N 3.09Å |
| 42 | G | 96.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -38 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L37 I38 V40 I45 Y46 | L37-G42 PolarHBondContact O-N 2.83Å; I38-G42 WeakPolarHBondContact O-CA 3.33Å; I38-G42 PolarHBondContact O-N 3.49Å; V40-G42 PolarHBondContact O-N 2.95Å; G42-I45 PolarHBondContact O-N 3.48Å; G42-Y46 VanDerWaalsContact O-CB 3.31Å; G42-Y46 WeakPolarHBondContact O-CB 3.32Å; G42-Y46 PolarHBondContact O-N 3.26Å |
| 43 | S | 96.8 | Very high | 96.3 | Very high | 34 Ų | 34 | 49 Ų | 49 | 24% | 0.238 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 175.3 | -65.1 | 0 | 0 | 0 | 0 | 112.9 | L39 V40 A41 Y46 L47 F88 | L39-S43 WeakPolarHBondContact O-CB 3.48Å; L39-S43 PolarHBondContact O-N 2.04Å; L39-S43 PolarHBondContact O-OG 3.1Å; V40-S43 PolarHBondContact O-N 3Å; A41-S43 VanDerWaalsContact C-N 3.35Å; A41-S43 PolarHBondContact O-N 3.4Å; S43-Y46 PolarHBondContact O-N 3.26Å; S43-L47 WeakPolarHBondContact O-CB 3.05Å; S43-L47 PolarHBondContact O-N 3.31Å; S43-F88 WeakPolarHBondContact OG-CE2 3.41Å |
| 44 | V | 97.4 | Very high | 96.3 | Very high | 98 Ų | 98 | 49.5 Ų | 49.5 | 59% | 0.594 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64 | -46.2 | 176 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | V40 A41 L47 F48 | V40-V44 WeakPolarHBondContact O-CG2 3.12Å; V40-V44 PolarHBondContact O-N 3.38Å; A41-V44 PolarHBondContact O-N 3.33Å; V44-L47 PolarHBondContact O-N 3.4Å; V44-F48 WeakPolarHBondContact O-CB 3.45Å; V44-F48 PolarHBondContact O-N 3.15Å |
| 45 | I | 97.2 | Very high | 96.1 | Very high | 42 Ų | 42 | 53.4 Ų | 53.4 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.3 | -44 | 177.1 | -63.3 | 164.4 | 0 | 0 | 0 | 110.2 | A41 G42 L47 F48 G49 L335 I338 S342 | A41-I45 WeakPolarHBondContact O-CG1 3.2Å; A41-I45 PolarHBondContact O-N 3.31Å; A41-I45 VanDerWaalsContact O-N 3.09Å; G42-I45 PolarHBondContact O-N 3.48Å; I45-L47 PolarHBondContact O-N 3Å; I45-F48 PolarHBondContact O-N 3.01Å; I45-G49 PolarHBondContact O-N 3.49Å; I45-L335 HydrophobicContact CD1-CD2 4.49Å; I45-I338 HydrophobicContact CB-CD1 4.18Å; I45-I338 HydrophobicContact CG2-CB 4.45Å; I45-I338 HydrophobicContact CG2-CD1 4Å; I45-I338 HydrophobicContact CG2-CG1 3.93Å; I45-S342 WeakPolarHBondContact CG2-OG 3.23Å; I45-S342 PolarHBondContact O-OG 3.28Å |
| 46 | Y | 97.5 | Very high | 95.9 | Very high | 50 Ų | 50 | 52.1 Ų | 52.1 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56 | -51.6 | 176.1 | 167.1 | -98.7 | 0 | 0 | 0 | 111.9 | G42 S43 F48 G49 M50 L84 V85 F88 | G42-Y46 VanDerWaalsContact O-CB 3.31Å; G42-Y46 WeakPolarHBondContact O-CB 3.32Å; G42-Y46 PolarHBondContact O-N 3.26Å; S43-Y46 PolarHBondContact O-N 3.26Å; Y46-F48 VanDerWaalsContact C-N 3.35Å; Y46-F48 PolarHBondContact O-N 2.88Å; Y46-G49 PolarHBondContact O-N 3.24Å; Y46-M50 HydrophobicContact CD1-CG 4.4Å; Y46-M50 HydrophobicContact CD2-CG 3.96Å; Y46-M50 HydrophobicContact CE1-CG 3.97Å; Y46-M50 HydrophobicContact CE2-CG 3.48Å; Y46-M50 VanDerWaalsContact CE2-CG 3.48Å; Y46-M50 HydrophobicContact CE2-SD 3.89Å; Y46-M50 HydrophobicContact CG-CG 4.39Å; Y46-M50 VanDerWaalsContact CZ-CG 3.49Å; Y46-M50 WeakPolarHBondContact O-CB 3.48Å; Y46-M50 VanDerWaalsContact O-CG 3.32Å; Y46-M50 WeakPolarHBondContact O-CG 3.44Å; Y46-M50 PolarHBondContact O-N 3.19Å; Y46-L84 HydrophobicContact CD2-CB 3.88Å; Y46-L84 VanDerWaalsContact CD2-O 3.31Å; Y46-L84 WeakPolarHBondContact CD2-O 3.4Å; Y46-L84 HydrophobicContact CE2-CB 4.06Å; Y46-L84 WeakPolarHBondContact CE2-O 3.45Å; Y46-V85 HydrophobicContact CE2-CG2 4.44Å; Y46-F88 AromaticContact CD1-CD2 3.69Å; Y46-F88 HydrophobicContact CD1-CD2 3.69Å; Y46-F88 HydrophobicContact CD1-CE2 4.04Å; Y46-F88 HydrophobicContact CD1-CG 4.15Å; Y46-F88 HydrophobicContact CD2-CB 3.65Å; Y46-F88 HydrophobicContact CD2-CD2 4.12Å; Y46-F88 HydrophobicContact CD2-CG 4.07Å; Y46-F88 HydrophobicContact CE1-CD2 4.17Å; Y46-F88 HydrophobicContact CE1-CE2 4.47Å; Y46-F88 HydrophobicContact CE1-CG 4.24Å; Y46-F88 HydrophobicContact CE2-CB 3.78Å; Y46-F88 HydrophobicContact CE2-CG 4.16Å; Y46-F88 HydrophobicContact CG-CB 4.1Å; Y46-F88 AromaticContact CG-CD2 3.66Å; Y46-F88 HydrophobicContact CG-CD2 3.66Å; Y46-F88 HydrophobicContact CG-CE2 4.42Å; Y46-F88 HydrophobicContact CG-CG 4.07Å |
| 47 | L | 97.3 | Very high | 95.8 | Very high | 115 Ų | 115 | 45 Ų | 45 | 60% | 0.602 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.4 | -46 | -178.9 | -175.9 | 67.3 | 0 | 0 | 0 | 111.1 | S43 V44 I45 G49 M50 V51 | S43-L47 WeakPolarHBondContact O-CB 3.05Å; S43-L47 PolarHBondContact O-N 3.31Å; V44-L47 PolarHBondContact O-N 3.4Å; I45-L47 PolarHBondContact O-N 3Å; L47-G49 PolarHBondContact O-N 3.47Å; L47-M50 PolarHBondContact O-N 3.05Å; L47-V51 WeakPolarHBondContact O-CG2 3.21Å; L47-V51 PolarHBondContact O-N 3.37Å; L47-V51 VanDerWaalsContact O-N 3.12Å |
| 48 | F | 97.2 | Very high | 95.6 | Very high | 104 Ų | 104 | 46.1 Ų | 46.1 | 46% | 0.456 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 175.9 | 176.7 | -105 | 0 | 0 | 0 | 111.2 | V44 I45 Y46 M50 V51 T52 P346 | V44-F48 WeakPolarHBondContact O-CB 3.45Å; V44-F48 PolarHBondContact O-N 3.15Å; I45-F48 PolarHBondContact O-N 3.01Å; Y46-F48 VanDerWaalsContact C-N 3.35Å; Y46-F48 PolarHBondContact O-N 2.88Å; F48-M50 PolarHBondContact O-N 3.24Å; F48-V51 PolarHBondContact O-N 3.41Å; F48-T52 HydrophobicContact CD1-CG2 4.39Å; F48-T52 HydrophobicContact CD2-CG2 4.12Å; F48-T52 HydrophobicContact CE1-CG2 4Å; F48-T52 HydrophobicContact CE2-CG2 3.71Å; F48-T52 HydrophobicContact CG-CG2 4.44Å; F48-T52 HydrophobicContact CZ-CG2 3.65Å; F48-T52 VanDerWaalsContact O-CG2 3.31Å; F48-T52 WeakPolarHBondContact O-CG2 3.15Å; F48-T52 PolarHBondContact O-N 3.2Å; F48-T52 PolarHBondContact O-OG1 3.31Å; F48-P346 HydrophobicContact CE1-CG 4.29Å; F48-P346 HydrophobicContact CZ-CG 3.91Å |
| 49 | G | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | I45 Y46 L47 T52 N53 S342 | I45-G49 PolarHBondContact O-N 3.49Å; Y46-G49 PolarHBondContact O-N 3.24Å; L47-G49 PolarHBondContact O-N 3.47Å; G49-T52 WeakPolarHBondContact CA-OG1 3.39Å; G49-T52 PolarHBondContact O-OG1 3.32Å; G49-T52 VanDerWaalsContact O-OG1 3.11Å; G49-N53 WeakPolarHBondContact O-CB 3.18Å; G49-N53 PolarHBondContact O-N 3.2Å; G49-N53 PolarHBondContact O-ND2 3.05Å; G49-S342 VanDerWaalsContact CA-OG 3.27Å; G49-S342 WeakPolarHBondContact CA-OG 3.45Å |
| 50 | M | 97.1 | Very high | 94.9 | Very high | 32 Ų | 32 | 44.6 Ų | 44.6 | 16% | 0.158 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -48.7 | 177.5 | -77.5 | -63.2 | -68.7 | 0 | 0 | 110.8 | Y46 L47 F48 L54 I81 L84 V85 | Y46-M50 HydrophobicContact CD1-CG 4.4Å; Y46-M50 HydrophobicContact CD2-CG 3.96Å; Y46-M50 HydrophobicContact CE1-CG 3.97Å; Y46-M50 HydrophobicContact CE2-CG 3.48Å; Y46-M50 VanDerWaalsContact CE2-CG 3.48Å; Y46-M50 HydrophobicContact CE2-SD 3.89Å; Y46-M50 HydrophobicContact CG-CG 4.39Å; Y46-M50 VanDerWaalsContact CZ-CG 3.49Å; Y46-M50 WeakPolarHBondContact O-CB 3.48Å; Y46-M50 VanDerWaalsContact O-CG 3.32Å; Y46-M50 WeakPolarHBondContact O-CG 3.44Å; Y46-M50 PolarHBondContact O-N 3.19Å; L47-M50 PolarHBondContact O-N 3.05Å; F48-M50 PolarHBondContact O-N 3.24Å; M50-L54 HydrophobicContact CE-CD1 4.29Å; M50-L54 VanDerWaalsContact O-CB 3.25Å; M50-L54 WeakPolarHBondContact O-CB 3.35Å; M50-L54 WeakPolarHBondContact O-CD1 3.46Å; M50-L54 WeakPolarHBondContact O-CG 3.24Å; M50-L54 PolarHBondContact O-N 3.35Å; M50-I81 HydrophobicContact CE-CG2 4.14Å; M50-I81 HydrophobicContact SD-CG2 4.07Å; M50-L84 HydrophobicContact CG-CD1 4.47Å; M50-L84 HydrophobicContact SD-CB 4.07Å; M50-L84 HydrophobicContact SD-CD1 4.34Å; M50-V85 HydrophobicContact CE-CG2 4.07Å; M50-V85 HydrophobicContact SD-CG2 3.97Å |
| 51 | V | 95.4 | Very high | 94.4 | Very high | 71 Ų | 71 | 45.8 Ų | 45.8 | 43% | 0.43 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 179 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | L47 F48 M55 | L47-V51 WeakPolarHBondContact O-CG2 3.21Å; L47-V51 PolarHBondContact O-N 3.37Å; L47-V51 VanDerWaalsContact O-N 3.12Å; F48-V51 PolarHBondContact O-N 3.41Å; V51-M55 HydrophobicContact CG1-CE 4.05Å; V51-M55 HydrophobicContact CG1-SD 4.22Å; V51-M55 WeakPolarHBondContact O-CB 3.22Å; V51-M55 WeakPolarHBondContact O-CG 3.3Å; V51-M55 PolarHBondContact O-N 2.88Å |
| 52 | T | 94.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66 | -43.8 | -176 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | F48 G49 L56 S342 L345 | F48-T52 HydrophobicContact CD1-CG2 4.39Å; F48-T52 HydrophobicContact CD2-CG2 4.12Å; F48-T52 HydrophobicContact CE1-CG2 4Å; F48-T52 HydrophobicContact CE2-CG2 3.71Å; F48-T52 HydrophobicContact CG-CG2 4.44Å; F48-T52 HydrophobicContact CZ-CG2 3.65Å; F48-T52 VanDerWaalsContact O-CG2 3.31Å; F48-T52 WeakPolarHBondContact O-CG2 3.15Å; F48-T52 PolarHBondContact O-N 3.2Å; F48-T52 PolarHBondContact O-OG1 3.31Å; G49-T52 WeakPolarHBondContact CA-OG1 3.39Å; G49-T52 PolarHBondContact O-OG1 3.32Å; G49-T52 VanDerWaalsContact O-OG1 3.11Å; T52-L56 VanDerWaalsContact O-CB 3.23Å; T52-L56 WeakPolarHBondContact O-CB 3.47Å; T52-L56 PolarHBondContact O-N 3.4Å; T52-L56 VanDerWaalsContact O-N 3.08Å; T52-S342 PolarHBondContact OG1-O 2.68Å; T52-L345 HydrophobicContact CG2-CB 4.21Å; T52-L345 HydrophobicContact CG2-CD2 4.09Å |
| 53 | N | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.5 | -36.4 | 179.1 | -76.4 | -75.2 | 0 | 0 | 0 | 112.6 | G49 L56 L57 I81 A341 | G49-N53 WeakPolarHBondContact O-CB 3.18Å; G49-N53 PolarHBondContact O-N 3.2Å; G49-N53 PolarHBondContact O-ND2 3.05Å; N53-L56 PolarHBondContact O-N 3.27Å; N53-L57 VanDerWaalsContact O-CB 3.22Å; N53-L57 WeakPolarHBondContact O-CB 3.26Å; N53-L57 PolarHBondContact O-N 3.17Å; N53-I81 HydrophobicContact CB-CD1 4.1Å; N53-I81 HydrophobicContact CB-CG1 3.64Å; N53-A341 PolarHBondContact ND2-O 3.28Å |
| 54 | L | 94.6 | Very high | 91.9 | Very high | 83 Ų | 83 | 52.8 Ų | 52.8 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.4 | -48.1 | 175.2 | -77.3 | 168.6 | 0 | 0 | 0 | 111.5 | M50 L56 L57 V58 I81 | M50-L54 HydrophobicContact CE-CD1 4.29Å; M50-L54 VanDerWaalsContact O-CB 3.25Å; M50-L54 WeakPolarHBondContact O-CB 3.35Å; M50-L54 WeakPolarHBondContact O-CD1 3.46Å; M50-L54 WeakPolarHBondContact O-CG 3.24Å; M50-L54 PolarHBondContact O-N 3.35Å; L54-L56 VanDerWaalsContact C-N 3.26Å; L54-L56 PolarHBondContact O-N 3.48Å; L54-L57 PolarHBondContact O-N 2.91Å; L54-V58 WeakPolarHBondContact O-CG2 3.26Å; L54-V58 PolarHBondContact O-N 3.42Å; L54-I81 HydrophobicContact CD2-CD1 3.81Å; L54-I81 HydrophobicContact CG-CD1 4.09Å |
| 55 | M | 92.3 | Very high | 91 | Very high | 85 Ų | 85 | 48.7 Ų | 48.7 | 42% | 0.419 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.9 | -44.3 | 176.3 | -77 | -172.1 | 171.4 | 0 | 0 | 111.6 | V51 V59 | V51-M55 HydrophobicContact CG1-CE 4.05Å; V51-M55 HydrophobicContact CG1-SD 4.22Å; V51-M55 WeakPolarHBondContact O-CB 3.22Å; V51-M55 WeakPolarHBondContact O-CG 3.3Å; V51-M55 PolarHBondContact O-N 2.88Å; M55-V59 PolarHBondContact O-N 3.23Å |
| 56 | L | 91.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.1 | -42.9 | -179.5 | -177.6 | 56.9 | 0 | 0 | 0 | 112 | T52 N53 L54 V58 V59 L60 C77 R344 L345 Y348 I355 | T52-L56 VanDerWaalsContact O-CB 3.23Å; T52-L56 WeakPolarHBondContact O-CB 3.47Å; T52-L56 PolarHBondContact O-N 3.4Å; T52-L56 VanDerWaalsContact O-N 3.08Å; N53-L56 PolarHBondContact O-N 3.27Å; L54-L56 VanDerWaalsContact C-N 3.26Å; L54-L56 PolarHBondContact O-N 3.48Å; L56-V58 VanDerWaalsContact C-N 3.32Å; L56-V58 PolarHBondContact O-N 3.09Å; L56-V59 PolarHBondContact O-N 3.34Å; L56-V59 VanDerWaalsContact O-N 3.14Å; L56-L60 HydrophobicContact CD1-CD1 3.9Å; L56-L60 HydrophobicContact CD1-CD2 4.44Å; L56-L60 HydrophobicContact CD1-CG 3.93Å; L56-L60 HydrophobicContact CG-CD1 3.8Å; L56-L60 HydrophobicContact CG-CG 4.23Å; L56-L60 WeakPolarHBondContact O-CB 3.48Å; L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.31Å; L56-L60 PolarHBondContact O-N 3.17Å; L56-C77 WeakPolarHBondContact CD2-SG 3.36Å; L56-C77 VanDerWaalsContact CG-SG 3.59Å; L56-R344 HydrophobicContact CD2-CB 3.95Å; L56-L345 HydrophobicContact CB-CD1 4.14Å; L56-L345 HydrophobicContact CD1-CD1 4.02Å; L56-L345 HydrophobicContact CD2-CB 4.36Å; L56-L345 HydrophobicContact CG-CD1 4.48Å; L56-Y348 HydrophobicContact CD1-CD2 3.83Å; L56-Y348 HydrophobicContact CD2-CD2 3.25Å; L56-Y348 HydrophobicContact CD2-CE2 3.48Å; L56-Y348 VanDerWaalsContact CD2-CE2 3.48Å; L56-Y348 HydrophobicContact CD2-CG 4.37Å; L56-Y348 HydrophobicContact CG-CD2 4.06Å; L56-Y348 HydrophobicContact CG-CE2 4.44Å; L56-I355 HydrophobicContact CD1-CG2 4.1Å |
| 57 | L | 93 | Very high | 88.9 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 13% | 0.131 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 176.6 | -176.5 | 64.2 | 0 | 0 | 0 | 111.1 | N53 L54 V59 L60 L61 G74 C77 L78 I81 | N53-L57 VanDerWaalsContact O-CB 3.22Å; N53-L57 WeakPolarHBondContact O-CB 3.26Å; N53-L57 PolarHBondContact O-N 3.17Å; L54-L57 PolarHBondContact O-N 2.91Å; L57-V59 VanDerWaalsContact C-N 3.29Å; L57-V59 PolarHBondContact O-N 2.86Å; L57-L60 PolarHBondContact O-N 3.37Å; L57-L61 HydrophobicContact CD1-CD1 3.86Å; L57-L61 HydrophobicContact CD1-CD2 4.44Å; L57-L61 HydrophobicContact CD1-CG 3.95Å; L57-L61 HydrophobicContact CD2-CD1 4.48Å; L57-L61 HydrophobicContact CG-CD1 3.79Å; L57-L61 HydrophobicContact CG-CG 4.25Å; L57-L61 WeakPolarHBondContact O-CB 3.32Å; L57-L61 VanDerWaalsContact O-CG 3.25Å; L57-L61 WeakPolarHBondContact O-CG 3.33Å; L57-L61 PolarHBondContact O-N 3.14Å; L57-G74 WeakPolarHBondContact CD1-O 3.33Å; L57-C77 HydrophobicContact CB-CB 4.24Å; L57-C77 HydrophobicContact CD1-CB 4.32Å; L57-L78 HydrophobicContact CD2-CD1 4.45Å; L57-I81 HydrophobicContact CD2-CD1 3.94Å |
| 58 | V | 90.4 | Very high | 87.9 | Confident | 86 Ų | 86 | 49.9 Ų | 49.9 | 52% | 0.521 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.1 | -41.3 | 176.1 | 170 | 0 | 0 | 0 | 0 | 111.7 | L54 L56 | L54-V58 WeakPolarHBondContact O-CG2 3.26Å; L54-V58 PolarHBondContact O-N 3.42Å; L56-V58 VanDerWaalsContact C-N 3.32Å; L56-V58 PolarHBondContact O-N 3.09Å |
| 59 | V | 89.4 | Confident | 86.8 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.6 | -46.5 | 177.5 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | M55 L56 L57 L61 K62 I65 E358 L359 C362 | M55-V59 PolarHBondContact O-N 3.23Å; L56-V59 PolarHBondContact O-N 3.34Å; L56-V59 VanDerWaalsContact O-N 3.14Å; L57-V59 VanDerWaalsContact C-N 3.29Å; L57-V59 PolarHBondContact O-N 2.86Å; V59-L61 VanDerWaalsContact C-N 3.3Å; V59-L61 PolarHBondContact O-N 2.69Å; V59-K62 WeakPolarHBondContact O-CB 3.48Å; V59-K62 PolarHBondContact O-N 3.09Å; V59-I65 HydrophobicContact CG1-CD1 3.76Å; V59-I65 WeakPolarHBondContact O-CD1 3.38Å; V59-E358 HydrophobicContact CG1-CB 3.75Å; V59-L359 HydrophobicContact CG2-CD1 4.03Å; V59-C362 HydrophobicContact CG2-CB 4.02Å |
| 60 | L | 88.8 | Confident | 86.2 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.2 | -25.9 | -176 | -67.4 | -179.7 | 0 | 0 | 0 | 113.4 | L56 L57 K62 I65 L70 L73 I355 | L56-L60 HydrophobicContact CD1-CD1 3.9Å; L56-L60 HydrophobicContact CD1-CD2 4.44Å; L56-L60 HydrophobicContact CD1-CG 3.93Å; L56-L60 HydrophobicContact CG-CD1 3.8Å; L56-L60 HydrophobicContact CG-CG 4.23Å; L56-L60 WeakPolarHBondContact O-CB 3.48Å; L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.31Å; L56-L60 PolarHBondContact O-N 3.17Å; L57-L60 PolarHBondContact O-N 3.37Å; L60-K62 VanDerWaalsContact C-N 3.29Å; L60-K62 PolarHBondContact O-N 2.91Å; L60-I65 HydrophobicContact CD2-CG2 4.14Å; L60-L70 HydrophobicContact CD2-CB 4.05Å; L60-L73 HydrophobicContact CD1-CB 3.77Å; L60-I355 HydrophobicContact CD2-CD1 4.4Å |
| 61 | L | 86.9 | Confident | 85.7 | Confident | 83 Ų | 83 | 44.5 Ų | 44.5 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -6.9 | 176.1 | -69.8 | 177.9 | 0 | 0 | 0 | 113.9 | L57 V59 | L57-L61 HydrophobicContact CD1-CD1 3.86Å; L57-L61 HydrophobicContact CD1-CD2 4.44Å; L57-L61 HydrophobicContact CD1-CG 3.95Å; L57-L61 HydrophobicContact CD2-CD1 4.48Å; L57-L61 HydrophobicContact CG-CD1 3.79Å; L57-L61 HydrophobicContact CG-CG 4.25Å; L57-L61 WeakPolarHBondContact O-CB 3.32Å; L57-L61 VanDerWaalsContact O-CG 3.25Å; L57-L61 WeakPolarHBondContact O-CG 3.33Å; L57-L61 PolarHBondContact O-N 3.14Å; V59-L61 VanDerWaalsContact C-N 3.3Å; V59-L61 PolarHBondContact O-N 2.69Å |
| 62 | K | 85.3 | Confident | 85.5 | Confident | 53 Ų | 53 | 41.3 Ų | 41.3 | 23% | 0.23 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -60.6 | 138.5 | 175.5 | -74.5 | -174.3 | 177.7 | 178.9 | 0 | 110.9 | V59 L60 S64 I65 R66 | V59-K62 WeakPolarHBondContact O-CB 3.48Å; V59-K62 PolarHBondContact O-N 3.09Å; L60-K62 VanDerWaalsContact C-N 3.29Å; L60-K62 PolarHBondContact O-N 2.91Å; K62-S64 PolarHBondContact O-N 3.39Å; K62-I65 PolarHBondContact O-N 2.9Å; K62-R66 WeakPolarHBondContact O-CB 3.27Å; K62-R66 PolarHBondContact O-N 3.17Å |
| 63 | P | 77.5 | Confident | 85.2 | Confident | 99 Ų | 99 | 41 Ų | 41 | 64% | 0.643 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -54.5 | -32 | -178.2 | -27.5 | 34.1 | 0 | 0 | 0 | 114.6 | I65 | P63-I65 VanDerWaalsContact C-N 3.25Å; P63-I65 PolarHBondContact O-N 3.48Å |
| 64 | S | 74.1 | Confident | 85 | Confident | 72 Ų | 72 | 41.1 Ų | 41.1 | 50% | 0.503 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.2 | -24.7 | 177.9 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | K62 | K62-S64 PolarHBondContact O-N 3.39Å |
| 65 | I | 77.8 | Confident | 85 | Confident | 12 Ų | 12 | 37.8 Ų | 37.8 | 6% | 0.062 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -111.4 | -35.9 | -174.1 | -48.9 | -175 | 0 | 0 | 0 | 111.2 | V59 L60 K62 P63 N67 T68 L70 E358 | V59-I65 HydrophobicContact CG1-CD1 3.76Å; V59-I65 WeakPolarHBondContact O-CD1 3.38Å; L60-I65 HydrophobicContact CD2-CG2 4.14Å; K62-I65 PolarHBondContact O-N 2.9Å; P63-I65 VanDerWaalsContact C-N 3.25Å; P63-I65 PolarHBondContact O-N 3.48Å; I65-N67 PolarHBondContact O-N 3.5Å; I65-N67 VanDerWaalsContact O-N 3.11Å; I65-T68 WeakPolarHBondContact O-CB 3.35Å; I65-T68 WeakPolarHBondContact O-CG2 3.04Å; I65-T68 PolarHBondContact O-N 2.75Å; I65-T68 PolarHBondContact O-OG1 3.37Å; I65-L70 HydrophobicContact CG2-CB 3.89Å; I65-L70 HydrophobicContact CG2-CD1 3.36Å; I65-L70 HydrophobicContact CG2-CG 4.25Å; I65-E358 HydrophobicContact CD1-CB 3.75Å; I65-E358 HydrophobicContact CD1-CG 3.56Å; I65-E358 HydrophobicContact CG1-CG 4.34Å |
| 66 | R | 78.7 | Confident | 85.1 | Confident | 101 Ų | 101 | 34 Ų | 34 | 38% | 0.381 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.4 | -27.7 | -173.8 | -163 | -177.3 | 63.9 | -169.9 | -1.2 | 113.6 | K62 T68 I71 | K62-R66 WeakPolarHBondContact O-CB 3.27Å; K62-R66 PolarHBondContact O-N 3.17Å; R66-T68 PolarHBondContact O-N 3.11Å; R66-I71 HydrophobicContact CG-CD1 3.63Å |
| 67 | N | 70.8 | Confident | 85.2 | Confident | 97 Ų | 97 | 34 Ų | 34 | 52% | 0.519 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 24.3 | 176.8 | -63.8 | -20 | 0 | 0 | 0 | 113 | I65 Q157 | I65-N67 PolarHBondContact O-N 3.5Å; I65-N67 VanDerWaalsContact O-N 3.11Å; N67-Q157 VanDerWaalsContact C-OE1 3.22Å; N67-Q157 PolarHBondContact O-NE2 2.9Å; N67-Q157 PolarHBondContact O-OE1 3.01Å |
| 68 | T | 76.4 | Confident | 85.4 | Confident | 33 Ų | 33 | 37.6 Ų | 37.6 | 20% | 0.202 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -122.9 | -180 | 177.1 | 72.1 | 0 | 0 | 0 | 0 | 110 | I65 R66 L70 I71 R160 | I65-T68 WeakPolarHBondContact O-CB 3.35Å; I65-T68 WeakPolarHBondContact O-CG2 3.04Å; I65-T68 PolarHBondContact O-N 2.75Å; I65-T68 PolarHBondContact O-OG1 3.37Å; R66-T68 PolarHBondContact O-N 3.11Å; T68-L70 PolarHBondContact O-N 3.36Å; T68-L70 WeakPolarHBondContact OG1-CB 3.48Å; T68-L70 WeakPolarHBondContact OG1-CG 3.08Å; T68-L70 PolarHBondContact OG1-N 2.95Å; T68-I71 WeakPolarHBondContact O-CG2 3.39Å; T68-I71 PolarHBondContact O-N 3.24Å; T68-R160 PolarHBondContact O-NH1 3.16Å |
| 69 | Y | 75.6 | Confident | 85.7 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -13 | 176.6 | 69.6 | -90.2 | 0 | 0 | 0 | 113.8 | I71 Y72 R138 R160 A287 M290 N352 | Y69-I71 PolarHBondContact O-N 2.84Å; Y69-Y72 PolarHBondContact O-N 3.13Å; Y69-R138 VanDerWaalsContact CG-NH1 3.32Å; Y69-R160 VanDerWaalsContact CA-NH1 3.33Å; Y69-A287 WeakPolarHBondContact OH-CB 2.78Å; Y69-M290 HydrophobicContact CE2-CE 3.66Å; Y69-N352 PolarHBondContact OH-ND2 3.33Å |
| 70 | L | 83.2 | Confident | 86 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -8.8 | 177.2 | -60.1 | 173.8 | 0 | 0 | 0 | 113.2 | L60 I65 T68 Y72 L73 G74 M290 I355 | L60-L70 HydrophobicContact CD2-CB 4.05Å; I65-L70 HydrophobicContact CG2-CB 3.89Å; I65-L70 HydrophobicContact CG2-CD1 3.36Å; I65-L70 HydrophobicContact CG2-CG 4.25Å; T68-L70 PolarHBondContact O-N 3.36Å; T68-L70 WeakPolarHBondContact OG1-CB 3.48Å; T68-L70 WeakPolarHBondContact OG1-CG 3.08Å; T68-L70 PolarHBondContact OG1-N 2.95Å; L70-Y72 VanDerWaalsContact C-N 3.28Å; L70-Y72 PolarHBondContact O-N 3.44Å; L70-L73 HydrophobicContact CD2-CD1 4.19Å; L70-L73 HydrophobicContact CD2-CD2 3.92Å; L70-L73 WeakPolarHBondContact O-CA 3.45Å; L70-L73 WeakPolarHBondContact O-CB 3.47Å; L70-L73 PolarHBondContact O-N 2.81Å; L70-L73 VanDerWaalsContact O-N 3.07Å; L70-G74 PolarHBondContact O-N 2.69Å; L70-M290 HydrophobicContact CD2-CE 3.89Å; L70-M290 HydrophobicContact CD2-SD 4.44Å; L70-I355 HydrophobicContact CD1-CG1 4.48Å; L70-I355 HydrophobicContact CD2-CD1 4.18Å |
| 71 | I | 88 | Confident | 86.4 | Confident | 12 Ų | 12 | 34.6 Ų | 34.6 | 6% | 0.062 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61 | -35.6 | 172.2 | -169 | 55.2 | 0 | 0 | 0 | 112.7 | R66 T68 Y69 L73 G74 A75 R160 Y161 I164 | R66-I71 HydrophobicContact CG-CD1 3.63Å; T68-I71 WeakPolarHBondContact O-CG2 3.39Å; T68-I71 PolarHBondContact O-N 3.24Å; Y69-I71 PolarHBondContact O-N 2.84Å; I71-L73 VanDerWaalsContact C-N 3.27Å; I71-L73 PolarHBondContact O-N 2.89Å; I71-G74 PolarHBondContact O-N 2.58Å; I71-G74 VanDerWaalsContact O-N 3.13Å; I71-A75 PolarHBondContact O-N 3.05Å; I71-R160 HydrophobicContact CG2-CB 3.88Å; I71-R160 HydrophobicContact CG2-CG 4.36Å; I71-Y161 HydrophobicContact CD1-CE1 3.95Å; I71-Y161 HydrophobicContact CG1-CD1 4.48Å; I71-Y161 HydrophobicContact CG1-CE1 3.89Å; I71-I164 HydrophobicContact CG1-CD1 3.87Å; I71-I164 HydrophobicContact CG2-CD1 4.19Å |
| 72 | Y | 89.7 | Confident | 86.9 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -39.5 | 172.9 | -70.5 | -67.9 | 0 | 0 | 0 | 111.5 | Y69 L70 G74 A75 L76 L130 V133 C134 E137 R160 I163 I164 | Y69-Y72 PolarHBondContact O-N 3.13Å; L70-Y72 VanDerWaalsContact C-N 3.28Å; L70-Y72 PolarHBondContact O-N 3.44Å; Y72-G74 VanDerWaalsContact C-N 3.31Å; Y72-A75 PolarHBondContact O-N 3.29Å; Y72-L76 WeakPolarHBondContact O-CB 3.07Å; Y72-L76 PolarHBondContact O-N 3.29Å; Y72-L130 HydrophobicContact CD1-CD2 4.18Å; Y72-V133 HydrophobicContact CD1-CG1 4.39Å; Y72-V133 HydrophobicContact CE1-CG1 3.63Å; Y72-C134 HydrophobicContact CG-CB 4.39Å; Y72-E137 VanDerWaalsContact CE2-OE2 3.22Å; Y72-E137 WeakPolarHBondContact CE2-OE2 3.49Å; Y72-E137 PolarHBondContact OH-OE2 3.35Å; Y72-R160 HydrophobicContact CE2-CB 4.25Å; Y72-R160 HydrophobicContact CE2-CG 3.67Å; Y72-I163 HydrophobicContact CE1-CG2 4.17Å; Y72-I163 WeakPolarHBondContact OH-CD1 3.5Å; Y72-I164 HydrophobicContact CD1-CD1 4.05Å; Y72-I164 HydrophobicContact CD1-CG1 3.68Å; Y72-I164 HydrophobicContact CE1-CD1 4.29Å; Y72-I164 HydrophobicContact CE1-CG1 3.72Å |
| 73 | L | 89.8 | Confident | 87.5 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.1 | -35.5 | 176.6 | -75.7 | 76.2 | 0 | 0 | 0 | 110.8 | L60 L70 I71 L76 C77 M290 I294 Y348 I355 | L60-L73 HydrophobicContact CD1-CB 3.77Å; L70-L73 HydrophobicContact CD2-CD1 4.19Å; L70-L73 HydrophobicContact CD2-CD2 3.92Å; L70-L73 WeakPolarHBondContact O-CA 3.45Å; L70-L73 WeakPolarHBondContact O-CB 3.47Å; L70-L73 PolarHBondContact O-N 2.81Å; L70-L73 VanDerWaalsContact O-N 3.07Å; I71-L73 VanDerWaalsContact C-N 3.27Å; I71-L73 PolarHBondContact O-N 2.89Å; L73-L76 WeakPolarHBondContact O-CB 3.47Å; L73-L76 PolarHBondContact O-N 2.97Å; L73-C77 PolarHBondContact O-N 3.19Å; L73-C77 PolarHBondContact O-SG 2.93Å; L73-M290 HydrophobicContact CD1-CE 4.13Å; L73-M290 HydrophobicContact CD2-CE 3.49Å; L73-M290 VanDerWaalsContact CD2-CE 3.49Å; L73-M290 HydrophobicContact CD2-SD 3.53Å; L73-M290 VanDerWaalsContact CD2-SD 3.53Å; L73-M290 HydrophobicContact CG-CE 4.48Å; L73-I294 HydrophobicContact CD2-CD1 4.45Å; L73-Y348 HydrophobicContact CB-CE2 4.01Å; L73-Y348 HydrophobicContact CD2-CD1 4.1Å; L73-Y348 HydrophobicContact CD2-CD2 3.84Å; L73-Y348 HydrophobicContact CD2-CE1 3.74Å; L73-Y348 HydrophobicContact CD2-CE2 3.41Å; L73-Y348 VanDerWaalsContact CD2-CE2 3.41Å; L73-Y348 HydrophobicContact CD2-CG 4.19Å; L73-Y348 HydrophobicContact CG-CE2 3.94Å; L73-I355 HydrophobicContact CD2-CD1 4.44Å |
| 74 | G | 92 | Very high | 88.5 | Confident | 4 Ų | 4 | 24.5 Ų | 24.5 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.7 | -47.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L57 L70 I71 Y72 L76 C77 L78 | L57-G74 WeakPolarHBondContact CD1-O 3.33Å; L70-G74 PolarHBondContact O-N 2.69Å; I71-G74 PolarHBondContact O-N 2.58Å; I71-G74 VanDerWaalsContact O-N 3.13Å; Y72-G74 VanDerWaalsContact C-N 3.31Å; G74-L76 VanDerWaalsContact C-N 3.26Å; G74-L76 PolarHBondContact O-N 3.38Å; G74-C77 PolarHBondContact O-N 3.05Å; G74-L78 PolarHBondContact O-N 3.42Å; G74-L78 VanDerWaalsContact O-N 3.08Å |
| 75 | A | 94 | Very high | 89.6 | Confident | 12 Ų | 12 | 23.4 Ų | 23.4 | 10% | 0.099 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.2 | -36.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I71 Y72 L78 S79 L130 I164 | I71-A75 PolarHBondContact O-N 3.05Å; Y72-A75 PolarHBondContact O-N 3.29Å; A75-L78 PolarHBondContact O-N 2.58Å; A75-S79 PolarHBondContact O-N 3.09Å; A75-L130 HydrophobicContact CB-CD1 3.96Å; A75-L130 HydrophobicContact CB-CD2 4.26Å; A75-I164 HydrophobicContact CB-CD1 4.05Å; A75-I164 HydrophobicContact CB-CG1 4.28Å; A75-I164 HydrophobicContact CB-CG2 3.8Å |
| 76 | L | 94.1 | Very high | 90.5 | Very high | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.8 | -45.5 | 175.3 | -163 | 68.1 | 0 | 0 | 0 | 111.6 | Y72 L73 G74 L78 S79 D80 S127 L130 V131 Y348 | Y72-L76 WeakPolarHBondContact O-CB 3.07Å; Y72-L76 PolarHBondContact O-N 3.29Å; L73-L76 WeakPolarHBondContact O-CB 3.47Å; L73-L76 PolarHBondContact O-N 2.97Å; G74-L76 VanDerWaalsContact C-N 3.26Å; G74-L76 PolarHBondContact O-N 3.38Å; L76-L78 VanDerWaalsContact C-N 3.3Å; L76-L78 PolarHBondContact O-N 3.4Å; L76-S79 WeakPolarHBondContact O-CB 3.48Å; L76-S79 PolarHBondContact O-N 3.29Å; L76-D80 WeakPolarHBondContact O-CB 3.31Å; L76-D80 PolarHBondContact O-N 2.88Å; L76-S127 VanDerWaalsContact CD1-O 3.25Å; L76-S127 WeakPolarHBondContact CD1-O 3.5Å; L76-S127 WeakPolarHBondContact CD1-OG 3.22Å; L76-L130 HydrophobicContact CD1-CB 3.98Å; L76-L130 HydrophobicContact CD1-CD1 4.35Å; L76-V131 HydrophobicContact CD1-CG2 3.9Å; L76-V131 HydrophobicContact CD2-CG2 3.93Å; L76-Y348 WeakPolarHBondContact CD2-OH 3.33Å |
| 77 | C | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.2 | -39.5 | 176.6 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | L56 L57 L73 G74 D80 I81 | L56-C77 WeakPolarHBondContact CD2-SG 3.36Å; L56-C77 VanDerWaalsContact CG-SG 3.59Å; L57-C77 HydrophobicContact CB-CB 4.24Å; L57-C77 HydrophobicContact CD1-CB 4.32Å; L73-C77 PolarHBondContact O-N 3.19Å; L73-C77 PolarHBondContact O-SG 2.93Å; G74-C77 PolarHBondContact O-N 3.05Å; C77-D80 PolarHBondContact O-N 3.43Å; C77-I81 VanDerWaalsContact O-CG1 3.29Å; C77-I81 WeakPolarHBondContact O-CG1 3.4Å; C77-I81 PolarHBondContact O-N 3.26Å |
| 78 | L | 95.5 | Very high | 92.6 | Very high | 100 Ų | 100 | 17.6 Ų | 17.6 | 52% | 0.524 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -63.7 | -44.7 | 175.9 | -178.5 | 64.1 | 0 | 0 | 0 | 111.3 | L57 G74 A75 L76 D80 I81 G82 | L57-L78 HydrophobicContact CD2-CD1 4.45Å; G74-L78 PolarHBondContact O-N 3.42Å; G74-L78 VanDerWaalsContact O-N 3.08Å; A75-L78 PolarHBondContact O-N 2.58Å; L76-L78 VanDerWaalsContact C-N 3.3Å; L76-L78 PolarHBondContact O-N 3.4Å; L78-D80 VanDerWaalsContact C-N 3.34Å; L78-I81 PolarHBondContact O-N 3.45Å; L78-G82 PolarHBondContact O-N 3.21Å |
| 79 | S | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | 175.8 | -163.9 | 0 | 0 | 0 | 0 | 111.6 | A75 L76 G82 I83 L123 | A75-S79 PolarHBondContact O-N 3.09Å; L76-S79 WeakPolarHBondContact O-CB 3.48Å; L76-S79 PolarHBondContact O-N 3.29Å; S79-G82 PolarHBondContact O-N 2.88Å; S79-I83 WeakPolarHBondContact O-CG1 3.47Å; S79-I83 PolarHBondContact O-N 3.26Å; S79-L123 PolarHBondContact OG-O 3.03Å |
| 80 | D | 96.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67 | -37.9 | -178.9 | -70.8 | -11.4 | 0 | 0 | 0 | 111.7 | L76 C77 L78 G82 I83 L84 S127 A341 R344 | L76-D80 WeakPolarHBondContact O-CB 3.31Å; L76-D80 PolarHBondContact O-N 2.88Å; C77-D80 PolarHBondContact O-N 3.43Å; L78-D80 VanDerWaalsContact C-N 3.34Å; D80-G82 VanDerWaalsContact C-N 3.32Å; D80-G82 PolarHBondContact O-N 3.43Å; D80-I83 PolarHBondContact O-N 2.69Å; D80-L84 WeakPolarHBondContact O-CB 3.45Å; D80-L84 VanDerWaalsContact O-CG 3.24Å; D80-L84 WeakPolarHBondContact O-CG 3.2Å; D80-L84 PolarHBondContact O-N 2.88Å; D80-S127 PolarHBondContact OD1-OG 2.86Å; D80-A341 HydrophobicContact CB-CB 3.9Å; D80-R344 IonicContact OD1-NH2 2.65Å; D80-R344 VanDerWaalsContact OD2-CG 3.26Å; D80-R344 WeakPolarHBondContact OD2-CG 3.22Å; D80-R344 IonicContact OD2-CZ 3.51Å; D80-R344 IonicContact OD2-NE 2.75Å; D80-R344 PolarHBondContact OD2-NE 3.39Å; D80-R344 IonicContact OD2-NH2 3.66Å; D80-R344 PolarHBondContact OD2-NH2 3.27Å |
| 81 | I | 97.5 | Very high | 95.1 | Very high | 23 Ų | 23 | 19.8 Ų | 19.8 | 12% | 0.118 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.5 | -45.7 | 170.1 | -70.8 | 162.8 | 0 | 0 | 0 | 110.5 | M50 N53 L54 L57 C77 L78 I83 L84 V85 | M50-I81 HydrophobicContact CE-CG2 4.14Å; M50-I81 HydrophobicContact SD-CG2 4.07Å; N53-I81 HydrophobicContact CB-CD1 4.1Å; N53-I81 HydrophobicContact CB-CG1 3.64Å; L54-I81 HydrophobicContact CD2-CD1 3.81Å; L54-I81 HydrophobicContact CG-CD1 4.09Å; L57-I81 HydrophobicContact CD2-CD1 3.94Å; C77-I81 VanDerWaalsContact O-CG1 3.29Å; C77-I81 WeakPolarHBondContact O-CG1 3.4Å; C77-I81 PolarHBondContact O-N 3.26Å; L78-I81 PolarHBondContact O-N 3.45Å; I81-I83 PolarHBondContact O-N 3.11Å; I81-L84 PolarHBondContact O-N 3.33Å; I81-V85 HydrophobicContact CG2-CG2 4.47Å; I81-V85 WeakPolarHBondContact O-CG2 3.44Å; I81-V85 PolarHBondContact O-N 3.09Å |
| 82 | G | 97.6 | Very high | 95.5 | Very high | 18 Ų | 18 | 19.6 Ų | 19.6 | 19% | 0.186 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | L78 S79 D80 V85 T86 L123 | L78-G82 PolarHBondContact O-N 3.21Å; S79-G82 PolarHBondContact O-N 2.88Å; D80-G82 VanDerWaalsContact C-N 3.32Å; D80-G82 PolarHBondContact O-N 3.43Å; G82-V85 PolarHBondContact O-N 3.43Å; G82-T86 WeakPolarHBondContact O-CB 3.48Å; G82-T86 VanDerWaalsContact O-CG2 3.31Å; G82-T86 WeakPolarHBondContact O-CG2 3.2Å; G82-T86 PolarHBondContact O-N 2.95Å; G82-T86 PolarHBondContact O-OG1 2.9Å; G82-L123 VanDerWaalsContact C-CD1 3.46Å |
| 83 | I | 97.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.3 | -48.1 | 174.3 | -68.1 | 167 | 0 | 0 | 0 | 110 | S79 D80 I81 V85 T86 F87 L123 T337 | S79-I83 WeakPolarHBondContact O-CG1 3.47Å; S79-I83 PolarHBondContact O-N 3.26Å; D80-I83 PolarHBondContact O-N 2.69Å; I81-I83 PolarHBondContact O-N 3.11Å; I83-V85 PolarHBondContact O-N 3.45Å; I83-T86 WeakPolarHBondContact CA-OG1 3.43Å; I83-T86 PolarHBondContact O-N 2.95Å; I83-T86 PolarHBondContact O-OG1 3.43Å; I83-F87 HydrophobicContact CG2-CD2 3.9Å; I83-F87 HydrophobicContact CG2-CE2 4Å; I83-F87 HydrophobicContact CG2-CG 4.45Å; I83-F87 WeakPolarHBondContact O-CB 3.27Å; I83-F87 VanDerWaalsContact O-CD2 3.3Å; I83-F87 WeakPolarHBondContact O-CD2 3.18Å; I83-F87 PolarHBondContact O-N 2.85Å; I83-L123 HydrophobicContact CD1-CB 4.43Å; I83-L123 HydrophobicContact CG1-CB 3.71Å; I83-T337 HydrophobicContact CG2-CG2 4.11Å |
| 84 | L | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.1 | -48 | 179.4 | -71 | 169 | 0 | 0 | 0 | 111.6 | Y46 M50 D80 I81 F88 I338 A341 | Y46-L84 HydrophobicContact CD2-CB 3.88Å; Y46-L84 VanDerWaalsContact CD2-O 3.31Å; Y46-L84 WeakPolarHBondContact CD2-O 3.4Å; Y46-L84 HydrophobicContact CE2-CB 4.06Å; Y46-L84 WeakPolarHBondContact CE2-O 3.45Å; M50-L84 HydrophobicContact CG-CD1 4.47Å; M50-L84 HydrophobicContact SD-CB 4.07Å; M50-L84 HydrophobicContact SD-CD1 4.34Å; D80-L84 WeakPolarHBondContact O-CB 3.45Å; D80-L84 VanDerWaalsContact O-CG 3.24Å; D80-L84 WeakPolarHBondContact O-CG 3.2Å; D80-L84 PolarHBondContact O-N 2.88Å; I81-L84 PolarHBondContact O-N 3.33Å; L84-F88 VanDerWaalsContact O-CB 3.31Å; L84-F88 WeakPolarHBondContact O-CB 3.4Å; L84-F88 PolarHBondContact O-N 3.24Å; L84-I338 HydrophobicContact CD2-CB 3.86Å; L84-I338 HydrophobicContact CD2-CG2 4.22Å; L84-A341 HydrophobicContact CD2-CB 4.23Å; L84-A341 HydrophobicContact CG-CB 4.18Å |
| 85 | V | 97.9 | Very high | 96.2 | Very high | 50 Ų | 50 | 21.3 Ų | 21.3 | 30% | 0.303 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -62.9 | -48.4 | 178.9 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | Y46 M50 I81 G82 I83 F88 L89 | Y46-V85 HydrophobicContact CE2-CG2 4.44Å; M50-V85 HydrophobicContact CE-CG2 4.07Å; M50-V85 HydrophobicContact SD-CG2 3.97Å; I81-V85 HydrophobicContact CG2-CG2 4.47Å; I81-V85 WeakPolarHBondContact O-CG2 3.44Å; I81-V85 PolarHBondContact O-N 3.09Å; G82-V85 PolarHBondContact O-N 3.43Å; I83-V85 PolarHBondContact O-N 3.45Å; V85-F88 PolarHBondContact O-N 3.44Å; V85-L89 HydrophobicContact CG1-CD1 4.05Å; V85-L89 WeakPolarHBondContact O-CG 3.29Å; V85-L89 PolarHBondContact O-N 3.11Å; V85-L89 VanDerWaalsContact O-N 3.12Å |
| 86 | T | 97.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 3% | 0.025 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.5 | -44.6 | -178.9 | 51 | 0 | 0 | 0 | 0 | 111.8 | G82 I83 F88 L89 I90 L116 L119 S120 L123 | G82-T86 WeakPolarHBondContact O-CB 3.48Å; G82-T86 VanDerWaalsContact O-CG2 3.31Å; G82-T86 WeakPolarHBondContact O-CG2 3.2Å; G82-T86 PolarHBondContact O-N 2.95Å; G82-T86 PolarHBondContact O-OG1 2.9Å; I83-T86 WeakPolarHBondContact CA-OG1 3.43Å; I83-T86 PolarHBondContact O-N 2.95Å; I83-T86 PolarHBondContact O-OG1 3.43Å; T86-F88 PolarHBondContact O-N 3.07Å; T86-L89 PolarHBondContact O-N 2.77Å; T86-I90 WeakPolarHBondContact O-CB 3.49Å; T86-I90 VanDerWaalsContact O-CD1 3.31Å; T86-I90 WeakPolarHBondContact O-CD1 3.35Å; T86-I90 WeakPolarHBondContact O-CG1 3.25Å; T86-I90 PolarHBondContact O-N 3.34Å; T86-L116 HydrophobicContact CG2-CD2 4.33Å; T86-L119 HydrophobicContact CG2-CB 4.31Å; T86-L119 HydrophobicContact CG2-CD2 3.8Å; T86-L119 HydrophobicContact CG2-CG 3.97Å; T86-S120 VanDerWaalsContact OG1-CB 3.25Å; T86-S120 WeakPolarHBondContact OG1-CB 3.33Å; T86-L123 HydrophobicContact CG2-CD1 4.43Å |
| 87 | F | 96.8 | Very high | 96.3 | Very high | 20 Ų | 20 | 23.2 Ų | 23.2 | 9% | 0.088 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.5 | -37.9 | 179.1 | -86 | -125.2 | 0 | 0 | 0 | 112.3 | I83 L89 I90 F91 P92 T337 I338 | I83-F87 HydrophobicContact CG2-CD2 3.9Å; I83-F87 HydrophobicContact CG2-CE2 4Å; I83-F87 HydrophobicContact CG2-CG 4.45Å; I83-F87 WeakPolarHBondContact O-CB 3.27Å; I83-F87 VanDerWaalsContact O-CD2 3.3Å; I83-F87 WeakPolarHBondContact O-CD2 3.18Å; I83-F87 PolarHBondContact O-N 2.85Å; F87-L89 VanDerWaalsContact C-N 3.34Å; F87-I90 PolarHBondContact O-N 3.37Å; F87-F91 HydrophobicContact CB-CD2 4.18Å; F87-F91 HydrophobicContact CB-CE2 4.42Å; F87-F91 AromaticContact CD1-CD2 3.85Å; F87-F91 HydrophobicContact CD1-CD2 3.85Å; F87-F91 AromaticContact CD1-CE2 3.44Å; F87-F91 HydrophobicContact CD1-CE2 3.44Å; F87-F91 VanDerWaalsContact CD1-CE2 3.44Å; F87-F91 AromaticContact CE1-CE2 3.71Å; F87-F91 HydrophobicContact CE1-CE2 3.71Å; F87-F91 HydrophobicContact CG-CD2 4.18Å; F87-F91 AromaticContact CG-CE2 3.93Å; F87-F91 HydrophobicContact CG-CE2 3.93Å; F87-F91 HydrophobicContact CZ-CE2 4.41Å; F87-F91 WeakPolarHBondContact O-CD2 3.41Å; F87-F91 PolarHBondContact O-N 3.24Å; F87-P92 WeakPolarHBondContact O-CD 3.47Å; F87-T337 HydrophobicContact CE1-CG2 3.98Å; F87-T337 HydrophobicContact CZ-CG2 3.85Å; F87-I338 HydrophobicContact CB-CG2 3.61Å; F87-I338 HydrophobicContact CD1-CG2 3.62Å; F87-I338 HydrophobicContact CG-CG2 3.78Å |
| 88 | F | 96.6 | Very high | 96.3 | Very high | 64 Ų | 64 | 23.8 Ų | 23.8 | 28% | 0.281 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -63.1 | -41 | 175.9 | -177.2 | -92.4 | 0 | 0 | 0 | 112.2 | S43 Y46 L84 V85 T86 P92 | S43-F88 WeakPolarHBondContact OG-CE2 3.41Å; Y46-F88 AromaticContact CD1-CD2 3.69Å; Y46-F88 HydrophobicContact CD1-CD2 3.69Å; Y46-F88 HydrophobicContact CD1-CE2 4.04Å; Y46-F88 HydrophobicContact CD1-CG 4.15Å; Y46-F88 HydrophobicContact CD2-CB 3.65Å; Y46-F88 HydrophobicContact CD2-CD2 4.12Å; Y46-F88 HydrophobicContact CD2-CG 4.07Å; Y46-F88 HydrophobicContact CE1-CD2 4.17Å; Y46-F88 HydrophobicContact CE1-CE2 4.47Å; Y46-F88 HydrophobicContact CE1-CG 4.24Å; Y46-F88 HydrophobicContact CE2-CB 3.78Å; Y46-F88 HydrophobicContact CE2-CG 4.16Å; Y46-F88 HydrophobicContact CG-CB 4.1Å; Y46-F88 AromaticContact CG-CD2 3.66Å; Y46-F88 HydrophobicContact CG-CD2 3.66Å; Y46-F88 HydrophobicContact CG-CE2 4.42Å; Y46-F88 HydrophobicContact CG-CG 4.07Å; L84-F88 VanDerWaalsContact O-CB 3.31Å; L84-F88 WeakPolarHBondContact O-CB 3.4Å; L84-F88 PolarHBondContact O-N 3.24Å; V85-F88 PolarHBondContact O-N 3.44Å; T86-F88 PolarHBondContact O-N 3.07Å; F88-P92 HydrophobicContact CD2-CB 4.33Å; F88-P92 HydrophobicContact CD2-CG 3.87Å; F88-P92 HydrophobicContact CE2-CB 4.28Å; F88-P92 HydrophobicContact CE2-CG 4.21Å; F88-P92 HydrophobicContact CG-CG 4.37Å; F88-P92 WeakPolarHBondContact O-CB 3.45Å; F88-P92 WeakPolarHBondContact O-CD 3.17Å; F88-P92 WeakPolarHBondContact O-CG 3.19Å |
| 89 | L | 96.9 | Very high | 96.3 | Very high | 61 Ų | 61 | 23.8 Ų | 23.8 | 32% | 0.319 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -73.9 | -26.6 | 177.7 | -68.2 | 174.4 | 0 | 0 | 0 | 113 | V85 T86 F87 V93 Y112 L116 | V85-L89 HydrophobicContact CG1-CD1 4.05Å; V85-L89 WeakPolarHBondContact O-CG 3.29Å; V85-L89 PolarHBondContact O-N 3.11Å; V85-L89 VanDerWaalsContact O-N 3.12Å; T86-L89 PolarHBondContact O-N 2.77Å; F87-L89 VanDerWaalsContact C-N 3.34Å; L89-V93 WeakPolarHBondContact O-CB 3.39Å; L89-V93 WeakPolarHBondContact O-CG2 3.4Å; L89-Y112 HydrophobicContact CB-CE2 4.39Å; L89-Y112 WeakPolarHBondContact O-CE2 3.47Å; L89-Y112 PolarHBondContact O-OH 2.95Å; L89-L116 HydrophobicContact CB-CD1 3.47Å; L89-L116 VanDerWaalsContact CB-CD1 3.47Å; L89-L116 HydrophobicContact CD1-CD1 3.64Å; L89-L116 HydrophobicContact CG-CD1 4.21Å |
| 90 | I | 95.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -79.6 | -57.2 | 178.6 | -66.9 | 161.5 | 0 | 0 | 0 | 110.7 | T86 F87 W109 V113 L116 Y117 | T86-I90 WeakPolarHBondContact O-CB 3.49Å; T86-I90 VanDerWaalsContact O-CD1 3.31Å; T86-I90 WeakPolarHBondContact O-CD1 3.35Å; T86-I90 WeakPolarHBondContact O-CG1 3.25Å; T86-I90 PolarHBondContact O-N 3.34Å; F87-I90 PolarHBondContact O-N 3.37Å; I90-W109 PolarHBondContact O-NE1 2.97Å; I90-V113 HydrophobicContact CG1-CG2 4.26Å; I90-V113 HydrophobicContact CG2-CG2 4.25Å; I90-L116 HydrophobicContact CD1-CB 4.14Å; I90-L116 HydrophobicContact CG1-CB 4.01Å; I90-Y117 HydrophobicContact CD1-CD2 4.49Å |
| 91 | F | 95.1 | Very high | 96.2 | Very high | 25 Ų | 25 | 34.8 Ų | 34.8 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -90.2 | -59.8 | -164.3 | -60.7 | -72.5 | 0 | 0 | 0 | 113.7 | I38 F87 V93 Q94 V95 S334 | I38-F91 HydrophobicContact CG2-CB 3.73Å; F87-F91 HydrophobicContact CB-CD2 4.18Å; F87-F91 HydrophobicContact CB-CE2 4.42Å; F87-F91 AromaticContact CD1-CD2 3.85Å; F87-F91 HydrophobicContact CD1-CD2 3.85Å; F87-F91 AromaticContact CD1-CE2 3.44Å; F87-F91 HydrophobicContact CD1-CE2 3.44Å; F87-F91 VanDerWaalsContact CD1-CE2 3.44Å; F87-F91 AromaticContact CE1-CE2 3.71Å; F87-F91 HydrophobicContact CE1-CE2 3.71Å; F87-F91 HydrophobicContact CG-CD2 4.18Å; F87-F91 AromaticContact CG-CE2 3.93Å; F87-F91 HydrophobicContact CG-CE2 3.93Å; F87-F91 HydrophobicContact CZ-CE2 4.41Å; F87-F91 WeakPolarHBondContact O-CD2 3.41Å; F87-F91 PolarHBondContact O-N 3.24Å; F91-V93 VanDerWaalsContact C-N 3.3Å; F91-V93 PolarHBondContact O-N 2.85Å; F91-Q94 VanDerWaalsContact O-CB 3.26Å; F91-Q94 WeakPolarHBondContact O-CB 3.36Å; F91-Q94 PolarHBondContact O-N 3.44Å; F91-Q94 VanDerWaalsContact O-N 3.11Å; F91-V95 PolarHBondContact O-N 3.48Å; F91-S334 WeakPolarHBondContact CZ-OG 3.36Å |
| 92 | P | 95.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -51.6 | -41.6 | 174.3 | -32.9 | 33.7 | 0 | 0 | 0 | 115.4 | L39 F87 F88 Q94 V95 L96 | L39-P92 HydrophobicContact CD1-CB 3.75Å; F87-P92 WeakPolarHBondContact O-CD 3.47Å; F88-P92 HydrophobicContact CD2-CB 4.33Å; F88-P92 HydrophobicContact CD2-CG 3.87Å; F88-P92 HydrophobicContact CE2-CB 4.28Å; F88-P92 HydrophobicContact CE2-CG 4.21Å; F88-P92 HydrophobicContact CG-CG 4.37Å; F88-P92 WeakPolarHBondContact O-CB 3.45Å; F88-P92 WeakPolarHBondContact O-CD 3.17Å; F88-P92 WeakPolarHBondContact O-CG 3.19Å; P92-Q94 VanDerWaalsContact C-N 3.27Å; P92-Q94 PolarHBondContact O-N 2.87Å; P92-V95 PolarHBondContact O-N 2.96Å; P92-L96 WeakPolarHBondContact O-CB 3.13Å; P92-L96 PolarHBondContact O-N 3.26Å |
| 93 | V | 95.7 | Very high | 95.9 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.3 | -34.7 | -179.3 | -178 | 0 | 0 | 0 | 0 | 111.4 | L89 F91 L96 Y97 M105 W109 Y112 | L89-V93 WeakPolarHBondContact O-CB 3.39Å; L89-V93 WeakPolarHBondContact O-CG2 3.4Å; F91-V93 VanDerWaalsContact C-N 3.3Å; F91-V93 PolarHBondContact O-N 2.85Å; V93-L96 PolarHBondContact O-N 3.48Å; V93-Y97 WeakPolarHBondContact O-CD1 3.46Å; V93-Y97 PolarHBondContact O-N 3.18Å; V93-Y97 VanDerWaalsContact O-N 3.09Å; V93-M105 HydrophobicContact CG1-CE 4.22Å; V93-M105 HydrophobicContact CG1-CG 3.79Å; V93-M105 HydrophobicContact CG1-SD 3.91Å; V93-W109 HydrophobicContact CG1-CB 4.47Å; V93-Y112 WeakPolarHBondContact CG1-OH 3.48Å |
| 94 | Q | 94.5 | Very high | 95.8 | Very high | 27 Ų | 27 | 46.8 Ų | 46.8 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.6 | -50.7 | 174.4 | -166.1 | -178.2 | -13.5 | 0 | 0 | 111.4 | F91 P92 L96 Y97 D98 W109 | F91-Q94 VanDerWaalsContact O-CB 3.26Å; F91-Q94 WeakPolarHBondContact O-CB 3.36Å; F91-Q94 PolarHBondContact O-N 3.44Å; F91-Q94 VanDerWaalsContact O-N 3.11Å; P92-Q94 VanDerWaalsContact C-N 3.27Å; P92-Q94 PolarHBondContact O-N 2.87Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.44Å; Q94-Y97 HydrophobicContact CB-CE1 4.21Å; Q94-Y97 HydrophobicContact CG-CE1 4.1Å; Q94-Y97 VanDerWaalsContact CG-OH 3.3Å; Q94-Y97 WeakPolarHBondContact CG-OH 3.48Å; Q94-Y97 WeakPolarHBondContact O-CE2 3.41Å; Q94-D98 PolarHBondContact O-N 3.27Å; Q94-W109 HydrophobicContact CB-CZ2 4.24Å; Q94-W109 HydrophobicContact CG-CH2 4.46Å; Q94-W109 HydrophobicContact CG-CZ2 4.02Å |
| 95 | V | 95.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.7 | -37.2 | 177.5 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | L28 L31 K34 F35 I38 L39 F91 P92 Y99 | L28-V95 HydrophobicContact CD2-CG2 3.79Å; L31-V95 HydrophobicContact CD1-CG1 4.22Å; K34-V95 HydrophobicContact CB-CG2 4.2Å; F35-V95 HydrophobicContact CB-CG1 4.17Å; F35-V95 HydrophobicContact CD2-CG1 4.38Å; I38-V95 HydrophobicContact CB-CG2 4.19Å; I38-V95 HydrophobicContact CD1-CG2 4.31Å; I38-V95 HydrophobicContact CG2-CG2 4.24Å; L39-V95 HydrophobicContact CB-CB 4.44Å; L39-V95 HydrophobicContact CB-CG1 4.19Å; F91-V95 PolarHBondContact O-N 3.48Å; P92-V95 PolarHBondContact O-N 2.96Å; V95-Y99 WeakPolarHBondContact O-CB 3.39Å; V95-Y99 PolarHBondContact O-N 2.97Å |
| 96 | L | 95.9 | Very high | 95.5 | Very high | 53 Ų | 53 | 45.7 Ų | 45.7 | 28% | 0.277 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.9 | -42.1 | -176.4 | -160.1 | 83.4 | 0 | 0 | 0 | 111.9 | L39 P92 V93 Q94 F100 M105 | L39-L96 HydrophobicContact CD1-CD1 4.09Å; L39-L96 HydrophobicContact CD2-CD1 3.7Å; P92-L96 WeakPolarHBondContact O-CB 3.13Å; P92-L96 PolarHBondContact O-N 3.26Å; V93-L96 PolarHBondContact O-N 3.48Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.44Å; L96-F100 HydrophobicContact CD1-CD2 3.85Å; L96-F100 HydrophobicContact CD1-CE2 3.66Å; L96-F100 HydrophobicContact CG-CD2 3.99Å; L96-F100 HydrophobicContact CG-CE2 4.33Å; L96-F100 WeakPolarHBondContact O-CD2 3.31Å; L96-F100 PolarHBondContact O-N 3.37Å; L96-F100 VanDerWaalsContact O-N 3.17Å; L96-M105 VanDerWaalsContact C-CE 3.4Å; L96-M105 HydrophobicContact CB-CE 3.49Å; L96-M105 VanDerWaalsContact CB-CE 3.49Å; L96-M105 HydrophobicContact CD2-CE 3.59Å; L96-M105 HydrophobicContact CD2-SD 3.75Å; L96-M105 HydrophobicContact CG-CE 3.69Å |
| 97 | Y | 95.7 | Very high | 95.4 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.5 | -34.1 | -178.4 | 66.1 | -117.4 | 0 | 0 | 0 | 111.6 | Y25 V93 Q94 N101 L102 M105 Y106 W109 F193 | Y25-Y97 VanDerWaalsContact OH-CE2 3.31Å; Y25-Y97 WeakPolarHBondContact OH-CE2 3.21Å; V93-Y97 WeakPolarHBondContact O-CD1 3.46Å; V93-Y97 PolarHBondContact O-N 3.18Å; V93-Y97 VanDerWaalsContact O-N 3.09Å; Q94-Y97 HydrophobicContact CB-CE1 4.21Å; Q94-Y97 HydrophobicContact CG-CE1 4.1Å; Q94-Y97 VanDerWaalsContact CG-OH 3.3Å; Q94-Y97 WeakPolarHBondContact CG-OH 3.48Å; Q94-Y97 WeakPolarHBondContact O-CE2 3.41Å; Y97-N101 CarbonylContact O-C 3.39Å; Y97-N101 WeakPolarHBondContact O-CA 3.32Å; Y97-N101 PolarHBondContact O-N 2.9Å; Y97-L102 PolarHBondContact O-N 2.97Å; Y97-M105 VanDerWaalsContact CB-CE 3.42Å; Y97-Y106 HydrophobicContact CD1-CD2 4.41Å; Y97-Y106 AromaticContact CD2-CD2 3.98Å; Y97-Y106 HydrophobicContact CD2-CD2 3.98Å; Y97-Y106 HydrophobicContact CD2-CG 4.46Å; Y97-Y106 AromaticContact CE1-CD2 3.97Å; Y97-Y106 HydrophobicContact CE1-CD2 3.97Å; Y97-Y106 AromaticContact CE2-CD2 3.62Å; Y97-Y106 HydrophobicContact CE2-CD2 3.62Å; Y97-Y106 HydrophobicContact CE2-CE2 4.28Å; Y97-Y106 HydrophobicContact CG-CD2 4.42Å; Y97-Y106 AromaticContact CZ-CD2 3.61Å; Y97-W109 HydrophobicContact CD1-CB 4.32Å; Y97-W109 HydrophobicContact CD1-CG 4.42Å; Y97-W109 HydrophobicContact CE1-CB 4.11Å; Y97-W109 AromaticContact CE1-CD2 3.85Å; Y97-W109 HydrophobicContact CE1-CD2 3.85Å; Y97-W109 HydrophobicContact CE1-CE3 4.08Å; Y97-W109 AromaticContact CE1-CG 3.86Å; Y97-W109 HydrophobicContact CE1-CG 3.86Å; Y97-F193 HydrophobicContact CD2-CE1 4.25Å |
| 98 | D | 94.6 | Very high | 95.4 | Very high | 12 Ų | 12 | 51.8 Ų | 51.8 | 6% | 0.064 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.1 | -43 | 178.4 | -84.4 | -24.8 | 0 | 0 | 0 | 111.5 | Y25 L27 L28 L31 Q94 N101 | Y25-D98 PolarHBondContact OH-OD1 3.31Å; Y25-D98 PolarHBondContact OH-OD2 2.94Å; L27-D98 HydrophobicContact CD1-CB 3.93Å; L28-D98 WeakPolarHBondContact CB-OD2 3.28Å; L28-D98 PolarHBondContact N-OD2 3.15Å; L31-D98 HydrophobicContact CD1-CB 3.73Å; L31-D98 HydrophobicContact CD2-CB 4.22Å; Q94-D98 PolarHBondContact O-N 3.27Å; D98-N101 PolarHBondContact O-N 2.89Å |
| 99 | Y | 95 | Very high | 95.4 | Very high | 100 Ų | 100 | 49 Ų | 49 | 39% | 0.392 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.1 | -39.5 | -178.4 | -166 | -88.9 | 0 | 0 | 0 | 112.8 | L31 F35 V95 | L31-Y99 HydrophobicContact CD2-CD2 4.43Å; L31-Y99 HydrophobicContact CG-CD2 4.15Å; F35-Y99 HydrophobicContact CB-CD2 4.01Å; F35-Y99 HydrophobicContact CB-CE2 4.1Å; F35-Y99 HydrophobicContact CD1-CE2 4.49Å; F35-Y99 AromaticContact CD2-CD1 3.73Å; F35-Y99 HydrophobicContact CD2-CD1 3.73Å; F35-Y99 AromaticContact CD2-CD2 3.46Å; F35-Y99 HydrophobicContact CD2-CD2 3.46Å; F35-Y99 VanDerWaalsContact CD2-CD2 3.46Å; F35-Y99 AromaticContact CD2-CE1 3.97Å; F35-Y99 HydrophobicContact CD2-CE1 3.97Å; F35-Y99 AromaticContact CD2-CE2 3.72Å; F35-Y99 HydrophobicContact CD2-CE2 3.72Å; F35-Y99 AromaticContact CD2-CG 3.47Å; F35-Y99 HydrophobicContact CD2-CG 3.47Å; F35-Y99 VanDerWaalsContact CD2-CG 3.47Å; F35-Y99 AromaticContact CD2-CZ 3.97Å; F35-Y99 AromaticContact CE2-CD1 3.56Å; F35-Y99 HydrophobicContact CE2-CD1 3.56Å; F35-Y99 HydrophobicContact CE2-CD2 4.15Å; F35-Y99 AromaticContact CE2-CE1 3.66Å; F35-Y99 HydrophobicContact CE2-CE1 3.66Å; F35-Y99 HydrophobicContact CE2-CE2 4.25Å; F35-Y99 AromaticContact CE2-CG 3.82Å; F35-Y99 HydrophobicContact CE2-CG 3.82Å; F35-Y99 AromaticContact CG-CD2 3.91Å; F35-Y99 HydrophobicContact CG-CD2 3.91Å; F35-Y99 AromaticContact CG-CE2 3.86Å; F35-Y99 HydrophobicContact CG-CE2 3.86Å; F35-Y99 HydrophobicContact CG-CG 4.37Å; F35-Y99 HydrophobicContact CZ-CD1 4.47Å; F35-Y99 HydrophobicContact CZ-CE1 4.16Å; V95-Y99 WeakPolarHBondContact O-CB 3.39Å; V95-Y99 PolarHBondContact O-N 2.97Å |
| 100 | F | 95.6 | Very high | 95.3 | Very high | 112 Ų | 112 | 46.3 Ų | 46.3 | 49% | 0.491 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 3.5 | -179.6 | -66.5 | -71.3 | 0 | 0 | 0 | 113.8 | F35 L96 L102 | F35-F100 HydrophobicContact CE2-CE2 4.28Å; F35-F100 HydrophobicContact CE2-CZ 4.39Å; L96-F100 HydrophobicContact CD1-CD2 3.85Å; L96-F100 HydrophobicContact CD1-CE2 3.66Å; L96-F100 HydrophobicContact CG-CD2 3.99Å; L96-F100 HydrophobicContact CG-CE2 4.33Å; L96-F100 WeakPolarHBondContact O-CD2 3.31Å; L96-F100 PolarHBondContact O-N 3.37Å; L96-F100 VanDerWaalsContact O-N 3.17Å; F100-L102 HydrophobicContact CB-CD1 3.82Å; F100-L102 HydrophobicContact CB-CD2 4.41Å; F100-L102 HydrophobicContact CB-CG 3.73Å; F100-L102 PolarHBondContact O-N 3.25Å |
| 101 | N | 94.2 | Very high | 95.2 | Very high | 119 Ų | 119 | 55.3 Ų | 55.3 | 64% | 0.636 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 49.2 | -179.2 | -159.8 | 21.8 | 0 | 0 | 0 | 113.1 | Y97 D98 F193 | Y97-N101 CarbonylContact O-C 3.39Å; Y97-N101 WeakPolarHBondContact O-CA 3.32Å; Y97-N101 PolarHBondContact O-N 2.9Å; D98-N101 PolarHBondContact O-N 2.89Å; N101-F193 WeakPolarHBondContact OD1-CE2 3.43Å; N101-F193 WeakPolarHBondContact OD1-CZ 3.45Å |
| 102 | L | 95.7 | Very high | 95.2 | Very high | 54 Ų | 54 | 56.3 Ų | 56.3 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | trans | -99.3 | 87.9 | -173.6 | -61.8 | 173.2 | 0 | 0 | 0 | 112.5 | Y97 F100 W104 M105 Y106 | Y97-L102 PolarHBondContact O-N 2.97Å; F100-L102 HydrophobicContact CB-CD1 3.82Å; F100-L102 HydrophobicContact CB-CD2 4.41Å; F100-L102 HydrophobicContact CB-CG 3.73Å; F100-L102 PolarHBondContact O-N 3.25Å; L102-W104 PolarHBondContact O-N 2.66Å; L102-M105 HydrophobicContact CB-CB 4.07Å; L102-M105 HydrophobicContact CB-CE 4.27Å; L102-M105 HydrophobicContact CD1-CE 3.8Å; L102-M105 HydrophobicContact CD1-SD 4.43Å; L102-M105 PolarHBondContact O-N 3.38Å; L102-M105 VanDerWaalsContact O-N 3.14Å; L102-Y106 PolarHBondContact O-N 3.42Å; L102-Y106 VanDerWaalsContact O-N 3.17Å | ||
| 103 | E | 94 | Very high | 95.2 | Very high | 79 Ų | 79 | 56.2 Ų | 56.2 | 37% | 0.369 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | -175.9 | -171.3 | -177.6 | 161 | 0 | 0 | 114 | M105 Y106 F107 G192 F193 | E103-M105 PolarHBondContact O-N 3.04Å; E103-Y106 WeakPolarHBondContact O-CB 3.31Å; E103-Y106 PolarHBondContact O-N 3.35Å; E103-F107 HydrophobicContact CG-CD2 4.04Å; E103-F107 HydrophobicContact CG-CE2 3.42Å; E103-F107 VanDerWaalsContact CG-CE2 3.42Å; E103-F107 HydrophobicContact CG-CZ 3.98Å; E103-F107 WeakPolarHBondContact O-CD2 3.27Å; E103-F107 PolarHBondContact O-N 3.5Å; E103-F107 VanDerWaalsContact O-N 3.09Å; E103-F107 WeakPolarHBondContact OE1-CE2 3.38Å; E103-G192 VanDerWaalsContact OE1-CA 3.24Å; E103-G192 WeakPolarHBondContact OE1-CA 3.21Å; E103-F193 HydrophobicContact CB-CE2 3.99Å; E103-F193 HydrophobicContact CB-CZ 4.01Å; E103-F193 HydrophobicContact CG-CE2 4.42Å |
| 104 | W | 94.7 | Very high | 95 | Very high | 165 Ų | 165 | 56.1 Ų | 56.1 | 63% | 0.625 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -61.1 | -35.7 | 179.1 | 72.6 | -90.1 | 0 | 0 | 0 | 112.4 | L102 L108 | L102-W104 PolarHBondContact O-N 2.66Å; W104-L108 HydrophobicContact CZ3-CD2 4.06Å; W104-L108 WeakPolarHBondContact O-CB 3.43Å; W104-L108 PolarHBondContact O-N 2.88Å; W104-L108 VanDerWaalsContact O-N 3.11Å |
| 105 | M | 95.5 | Very high | 95.1 | Very high | 15 Ų | 15 | 62 Ų | 62 | 7% | 0.074 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -76.5 | -33.6 | -178.1 | -170.6 | 168.7 | 70 | 0 | 0 | 110.7 | V93 L96 Y97 L102 E103 L108 W109 | V93-M105 HydrophobicContact CG1-CE 4.22Å; V93-M105 HydrophobicContact CG1-CG 3.79Å; V93-M105 HydrophobicContact CG1-SD 3.91Å; L96-M105 VanDerWaalsContact C-CE 3.4Å; L96-M105 HydrophobicContact CB-CE 3.49Å; L96-M105 VanDerWaalsContact CB-CE 3.49Å; L96-M105 HydrophobicContact CD2-CE 3.59Å; L96-M105 HydrophobicContact CD2-SD 3.75Å; L96-M105 HydrophobicContact CG-CE 3.69Å; Y97-M105 VanDerWaalsContact CB-CE 3.42Å; L102-M105 HydrophobicContact CB-CB 4.07Å; L102-M105 HydrophobicContact CB-CE 4.27Å; L102-M105 HydrophobicContact CD1-CE 3.8Å; L102-M105 HydrophobicContact CD1-SD 4.43Å; L102-M105 PolarHBondContact O-N 3.38Å; L102-M105 VanDerWaalsContact O-N 3.14Å; E103-M105 PolarHBondContact O-N 3.04Å; M105-L108 PolarHBondContact O-N 3.07Å; M105-W109 VanDerWaalsContact O-CB 3.29Å; M105-W109 WeakPolarHBondContact O-CB 3.31Å; M105-W109 PolarHBondContact O-N 3.05Å |
| 106 | Y | 95.5 | Very high | 95.1 | Very high | 12 Ų | 12 | 63.4 Ų | 63.4 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.4 | -53.2 | 169.9 | 171.3 | -109.8 | 0 | 0 | 0 | 111.8 | Y25 Y97 L102 E103 L108 W109 L110 F193 S196 | Y25-Y106 AromaticContact CE2-CE2 3.92Å; Y25-Y106 HydrophobicContact CE2-CE2 3.92Å; Y25-Y106 AromaticContact CE2-CZ 3.93Å; Y97-Y106 HydrophobicContact CD1-CD2 4.41Å; Y97-Y106 AromaticContact CD2-CD2 3.98Å; Y97-Y106 HydrophobicContact CD2-CD2 3.98Å; Y97-Y106 HydrophobicContact CD2-CG 4.46Å; Y97-Y106 AromaticContact CE1-CD2 3.97Å; Y97-Y106 HydrophobicContact CE1-CD2 3.97Å; Y97-Y106 AromaticContact CE2-CD2 3.62Å; Y97-Y106 HydrophobicContact CE2-CD2 3.62Å; Y97-Y106 HydrophobicContact CE2-CE2 4.28Å; Y97-Y106 HydrophobicContact CG-CD2 4.42Å; Y97-Y106 AromaticContact CZ-CD2 3.61Å; L102-Y106 PolarHBondContact O-N 3.42Å; L102-Y106 VanDerWaalsContact O-N 3.17Å; E103-Y106 WeakPolarHBondContact O-CB 3.31Å; E103-Y106 PolarHBondContact O-N 3.35Å; Y106-L108 VanDerWaalsContact C-N 3.3Å; Y106-L108 PolarHBondContact O-N 2.95Å; Y106-W109 WeakPolarHBondContact O-CA 3.38Å; Y106-W109 WeakPolarHBondContact O-CB 2.94Å; Y106-W109 PolarHBondContact O-N 3.43Å; Y106-W109 VanDerWaalsContact O-N 3.08Å; Y106-L110 HydrophobicContact CD1-CD1 4.15Å; Y106-L110 HydrophobicContact CD2-CG 4.41Å; Y106-L110 HydrophobicContact CE1-CD1 3.55Å; Y106-L110 HydrophobicContact CE1-CG 4.21Å; Y106-L110 HydrophobicContact CE2-CD1 4.22Å; Y106-L110 HydrophobicContact CE2-CD2 3.96Å; Y106-L110 HydrophobicContact CE2-CG 4.05Å; Y106-L110 WeakPolarHBondContact O-CG 3.34Å; Y106-L110 PolarHBondContact O-N 2.99Å; Y106-F193 AromaticContact CD1-CD1 3.6Å; Y106-F193 HydrophobicContact CD1-CD1 3.6Å; Y106-F193 HydrophobicContact CD1-CE1 4.23Å; Y106-F193 HydrophobicContact CD1-CG 4.42Å; Y106-F193 HydrophobicContact CD2-CD1 4.14Å; Y106-F193 HydrophobicContact CD2-CE1 4.46Å; Y106-F193 HydrophobicContact CE1-CB 4.41Å; Y106-F193 HydrophobicContact CE1-CD1 4.13Å; Y106-F193 WeakPolarHBondContact CE1-O 3.4Å; Y106-F193 AromaticContact CG-CD1 3.59Å; Y106-F193 HydrophobicContact CG-CD1 3.59Å; Y106-F193 AromaticContact CG-CE1 3.86Å; Y106-F193 HydrophobicContact CG-CE1 3.86Å; Y106-S196 PolarHBondContact OH-O 2.96Å |
| 107 | F | 95 | Very high | 94.9 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 28% | 0.281 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 178.4 | -66.1 | -51.7 | 0 | 0 | 0 | 113.1 | E103 W109 L110 R111 G192 S195 | E103-F107 HydrophobicContact CG-CD2 4.04Å; E103-F107 HydrophobicContact CG-CE2 3.42Å; E103-F107 VanDerWaalsContact CG-CE2 3.42Å; E103-F107 HydrophobicContact CG-CZ 3.98Å; E103-F107 WeakPolarHBondContact O-CD2 3.27Å; E103-F107 PolarHBondContact O-N 3.5Å; E103-F107 VanDerWaalsContact O-N 3.09Å; E103-F107 WeakPolarHBondContact OE1-CE2 3.38Å; F107-W109 VanDerWaalsContact C-N 3.34Å; F107-L110 HydrophobicContact CD1-CD1 4.25Å; F107-R111 PolarHBondContact O-N 3.39Å; F107-G192 WeakPolarHBondContact CZ-O 3.49Å; F107-S195 WeakPolarHBondContact CE1-OG 3.13Å; F107-S195 VanDerWaalsContact CZ-OG 3.22Å; F107-S195 WeakPolarHBondContact CZ-OG 3.41Å |
| 108 | L | 95.8 | Very high | 94.7 | Very high | 89 Ų | 89 | 63.7 Ų | 63.7 | 47% | 0.466 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 174 | -173.6 | 63.7 | 0 | 0 | 0 | 110.8 | W104 M105 Y106 R111 Y112 | W104-L108 HydrophobicContact CZ3-CD2 4.06Å; W104-L108 WeakPolarHBondContact O-CB 3.43Å; W104-L108 PolarHBondContact O-N 2.88Å; W104-L108 VanDerWaalsContact O-N 3.11Å; M105-L108 PolarHBondContact O-N 3.07Å; Y106-L108 VanDerWaalsContact C-N 3.3Å; Y106-L108 PolarHBondContact O-N 2.95Å; L108-R111 PolarHBondContact O-N 2.9Å; L108-Y112 HydrophobicContact CD2-CE1 4.48Å; L108-Y112 HydrophobicContact CG-CD1 4.01Å; L108-Y112 HydrophobicContact CG-CE1 3.92Å; L108-Y112 WeakPolarHBondContact O-CD1 3.31Å; L108-Y112 WeakPolarHBondContact O-CE1 3.14Å; L108-Y112 PolarHBondContact O-N 3.1Å |
| 109 | W | 96.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 66.7 Ų | 66.7 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60 | -46.7 | 177.3 | -178.7 | 97.6 | 0 | 0 | 0 | 112.2 | W4 I90 V93 Q94 Y97 M105 Y106 F107 R111 Y112 V113 L198 | W4-W109 AromaticContact CH2-CH2 3.99Å; W4-W109 HydrophobicContact CH2-CH2 3.99Å; W4-W109 HydrophobicContact CH2-CZ3 4.07Å; W4-W109 AromaticContact CZ2-CH2 3.74Å; W4-W109 HydrophobicContact CZ2-CH2 3.74Å; W4-W109 HydrophobicContact CZ2-CZ3 4.23Å; I90-W109 PolarHBondContact O-NE1 2.97Å; V93-W109 HydrophobicContact CG1-CB 4.47Å; Q94-W109 HydrophobicContact CB-CZ2 4.24Å; Q94-W109 HydrophobicContact CG-CH2 4.46Å; Q94-W109 HydrophobicContact CG-CZ2 4.02Å; Y97-W109 HydrophobicContact CD1-CB 4.32Å; Y97-W109 HydrophobicContact CD1-CG 4.42Å; Y97-W109 HydrophobicContact CE1-CB 4.11Å; Y97-W109 AromaticContact CE1-CD2 3.85Å; Y97-W109 HydrophobicContact CE1-CD2 3.85Å; Y97-W109 HydrophobicContact CE1-CE3 4.08Å; Y97-W109 AromaticContact CE1-CG 3.86Å; Y97-W109 HydrophobicContact CE1-CG 3.86Å; M105-W109 VanDerWaalsContact O-CB 3.29Å; M105-W109 WeakPolarHBondContact O-CB 3.31Å; M105-W109 PolarHBondContact O-N 3.05Å; Y106-W109 WeakPolarHBondContact O-CA 3.38Å; Y106-W109 WeakPolarHBondContact O-CB 2.94Å; Y106-W109 PolarHBondContact O-N 3.43Å; Y106-W109 VanDerWaalsContact O-N 3.08Å; F107-W109 VanDerWaalsContact C-N 3.34Å; W109-R111 PolarHBondContact O-N 3.23Å; W109-R111 VanDerWaalsContact O-N 3.15Å; W109-Y112 VanDerWaalsContact CA-CE1 3.43Å; W109-Y112 HydrophobicContact CB-CE1 4.23Å; W109-Y112 AromaticContact CD1-CE2 3.82Å; W109-Y112 AromaticContact CD1-CZ 3.74Å; W109-Y112 VanDerWaalsContact CD1-OH 3.24Å; W109-Y112 HydrophobicContact CG-CE2 4.29Å; W109-Y112 PolarHBondContact O-N 3.41Å; W109-V113 HydrophobicContact CD2-CB 4.06Å; W109-V113 HydrophobicContact CD2-CG1 4.1Å; W109-V113 HydrophobicContact CD2-CG2 4.4Å; W109-V113 HydrophobicContact CE3-CB 4.44Å; W109-V113 HydrophobicContact CE3-CG1 3.96Å; W109-V113 HydrophobicContact CH2-CG1 4.1Å; W109-V113 HydrophobicContact CH2-CG2 4.31Å; W109-V113 HydrophobicContact CZ2-CB 4.21Å; W109-V113 HydrophobicContact CZ2-CG1 4.22Å; W109-V113 HydrophobicContact CZ2-CG2 3.71Å; W109-V113 HydrophobicContact CZ3-CG1 3.96Å; W109-V113 VanDerWaalsContact O-CB 3.27Å; W109-V113 WeakPolarHBondContact O-CB 3.48Å; W109-V113 WeakPolarHBondContact O-CG1 3.3Å; W109-V113 PolarHBondContact O-N 3.04Å; W109-L198 HydrophobicContact CZ3-CD1 4.07Å |
| 110 | L | 94.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.3 | -36.9 | 176.2 | -70.2 | -179.2 | 0 | 0 | 0 | 112.3 | Y106 F107 P114 L184 L198 | Y106-L110 HydrophobicContact CD1-CD1 4.15Å; Y106-L110 HydrophobicContact CD2-CG 4.41Å; Y106-L110 HydrophobicContact CE1-CD1 3.55Å; Y106-L110 HydrophobicContact CE1-CG 4.21Å; Y106-L110 HydrophobicContact CE2-CD1 4.22Å; Y106-L110 HydrophobicContact CE2-CD2 3.96Å; Y106-L110 HydrophobicContact CE2-CG 4.05Å; Y106-L110 WeakPolarHBondContact O-CG 3.34Å; Y106-L110 PolarHBondContact O-N 2.99Å; F107-L110 HydrophobicContact CD1-CD1 4.25Å; L110-P114 WeakPolarHBondContact O-CD 3.3Å; L110-L184 HydrophobicContact CB-CD1 3.94Å; L110-L184 HydrophobicContact CD1-CD1 3.91Å; L110-L184 HydrophobicContact CG-CD1 4.44Å; L110-L198 HydrophobicContact CB-CD1 4.49Å; L110-L198 HydrophobicContact CD2-CB 4.33Å; L110-L198 HydrophobicContact CD2-CD1 3.61Å; L110-L198 HydrophobicContact CD2-CG 3.79Å |
| 111 | R | 94 | Very high | 94.5 | Very high | 193 Ų | 193 | 58.8 Ų | 58.8 | 73% | 0.728 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -74.7 | -39 | -177.8 | -170.3 | 169.2 | -177.2 | 165 | 1.7 | 113.4 | F107 L108 W109 Y115 | F107-R111 PolarHBondContact O-N 3.39Å; L108-R111 PolarHBondContact O-N 2.9Å; W109-R111 PolarHBondContact O-N 3.23Å; W109-R111 VanDerWaalsContact O-N 3.15Å; R111-Y115 WeakPolarHBondContact O-CD2 3.36Å; R111-Y115 VanDerWaalsContact O-CE2 3.25Å; R111-Y115 WeakPolarHBondContact O-CE2 3.46Å |
| 112 | Y | 95.5 | Very high | 94.4 | Very high | 47 Ų | 47 | 53.8 Ų | 53.8 | 18% | 0.184 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -94.7 | -24.3 | -176.2 | 67.3 | -114.6 | 0 | 0 | 0 | 114.1 | L89 V93 L108 W109 P114 Y115 L116 | L89-Y112 HydrophobicContact CB-CE2 4.39Å; L89-Y112 WeakPolarHBondContact O-CE2 3.47Å; L89-Y112 PolarHBondContact O-OH 2.95Å; V93-Y112 WeakPolarHBondContact CG1-OH 3.48Å; L108-Y112 HydrophobicContact CD2-CE1 4.48Å; L108-Y112 HydrophobicContact CG-CD1 4.01Å; L108-Y112 HydrophobicContact CG-CE1 3.92Å; L108-Y112 WeakPolarHBondContact O-CD1 3.31Å; L108-Y112 WeakPolarHBondContact O-CE1 3.14Å; L108-Y112 PolarHBondContact O-N 3.1Å; W109-Y112 VanDerWaalsContact CA-CE1 3.43Å; W109-Y112 HydrophobicContact CB-CE1 4.23Å; W109-Y112 AromaticContact CD1-CE2 3.82Å; W109-Y112 AromaticContact CD1-CZ 3.74Å; W109-Y112 VanDerWaalsContact CD1-OH 3.24Å; W109-Y112 HydrophobicContact CG-CE2 4.29Å; W109-Y112 PolarHBondContact O-N 3.41Å; Y112-P114 VanDerWaalsContact C-CD 3.43Å; Y112-Y115 PolarHBondContact O-N 3.46Å; Y112-Y115 VanDerWaalsContact O-N 3.14Å; Y112-L116 HydrophobicContact CD2-CD1 3.41Å; Y112-L116 VanDerWaalsContact CD2-CD1 3.41Å; Y112-L116 HydrophobicContact CD2-CG 3.98Å; Y112-L116 HydrophobicContact CE2-CD1 3.8Å; Y112-L116 HydrophobicContact CG-CD1 4.29Å; Y112-L116 PolarHBondContact O-N 3.39Å; Y112-L116 VanDerWaalsContact O-N 3.09Å |
| 113 | V | 95.2 | Very high | 94.4 | Very high | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -36.3 | -169.5 | 73.1 | 0 | 0 | 0 | 0 | 113.9 | I90 W109 Y115 L116 Y117 L198 | I90-V113 HydrophobicContact CG1-CG2 4.26Å; I90-V113 HydrophobicContact CG2-CG2 4.25Å; W109-V113 HydrophobicContact CD2-CB 4.06Å; W109-V113 HydrophobicContact CD2-CG1 4.1Å; W109-V113 HydrophobicContact CD2-CG2 4.4Å; W109-V113 HydrophobicContact CE3-CB 4.44Å; W109-V113 HydrophobicContact CE3-CG1 3.96Å; W109-V113 HydrophobicContact CH2-CG1 4.1Å; W109-V113 HydrophobicContact CH2-CG2 4.31Å; W109-V113 HydrophobicContact CZ2-CB 4.21Å; W109-V113 HydrophobicContact CZ2-CG1 4.22Å; W109-V113 HydrophobicContact CZ2-CG2 3.71Å; W109-V113 HydrophobicContact CZ3-CG1 3.96Å; W109-V113 VanDerWaalsContact O-CB 3.27Å; W109-V113 WeakPolarHBondContact O-CB 3.48Å; W109-V113 WeakPolarHBondContact O-CG1 3.3Å; W109-V113 PolarHBondContact O-N 3.04Å; V113-Y115 VanDerWaalsContact C-N 3.29Å; V113-Y115 PolarHBondContact O-N 3.38Å; V113-L116 PolarHBondContact O-N 3.49Å; V113-Y117 WeakPolarHBondContact O-CB 3.35Å; V113-Y117 PolarHBondContact O-N 3.45Å; V113-L198 HydrophobicContact CG1-CD1 3.24Å |
| 114 | P | 92.7 | Very high | 94.3 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 10% | 0.097 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61 | -38.8 | 177.2 | -24.2 | 36.8 | 0 | 0 | 0 | 112.8 | L110 Y112 T118 L182 L198 | L110-P114 WeakPolarHBondContact O-CD 3.3Å; Y112-P114 VanDerWaalsContact C-CD 3.43Å; P114-T118 PolarHBondContact O-N 3.49Å; P114-T118 VanDerWaalsContact O-N 3.15Å; P114-T118 PolarHBondContact O-OG1 3.12Å; P114-L182 HydrophobicContact CB-CB 4.26Å; P114-L182 HydrophobicContact CB-CD1 4.34Å; P114-L182 HydrophobicContact CG-CB 4.21Å; P114-L182 HydrophobicContact CG-CD1 4.35Å; P114-L198 HydrophobicContact CG-CD2 3.79Å |
| 115 | Y | 95 | Very high | 94.1 | Very high | 150 Ų | 150 | 42.9 Ų | 42.9 | 59% | 0.588 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -70.3 | -47.6 | 178.8 | -54.7 | -76.1 | 0 | 0 | 0 | 111.4 | R111 Y112 V113 T118 L119 L179 | R111-Y115 WeakPolarHBondContact O-CD2 3.36Å; R111-Y115 VanDerWaalsContact O-CE2 3.25Å; R111-Y115 WeakPolarHBondContact O-CE2 3.46Å; Y112-Y115 PolarHBondContact O-N 3.46Å; Y112-Y115 VanDerWaalsContact O-N 3.14Å; V113-Y115 VanDerWaalsContact C-N 3.29Å; V113-Y115 PolarHBondContact O-N 3.38Å; Y115-T118 PolarHBondContact O-N 2.84Å; Y115-L119 WeakPolarHBondContact O-CB 3.27Å; Y115-L119 PolarHBondContact O-N 3.21Å; Y115-L179 HydrophobicContact CD1-CD2 3.68Å; Y115-L179 HydrophobicContact CE1-CD2 4.4Å; Y115-L179 HydrophobicContact CG-CD2 4.41Å |
| 116 | L | 95.8 | Very high | 93.9 | Very high | 31 Ų | 31 | 42.2 Ų | 42.2 | 16% | 0.162 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.7 | -36.7 | 179.9 | -64.3 | -170.1 | 0 | 0 | 0 | 112.1 | T86 L89 I90 Y112 V113 T118 L119 S120 | T86-L116 HydrophobicContact CG2-CD2 4.33Å; L89-L116 HydrophobicContact CB-CD1 3.47Å; L89-L116 VanDerWaalsContact CB-CD1 3.47Å; L89-L116 HydrophobicContact CD1-CD1 3.64Å; L89-L116 HydrophobicContact CG-CD1 4.21Å; I90-L116 HydrophobicContact CD1-CB 4.14Å; I90-L116 HydrophobicContact CG1-CB 4.01Å; Y112-L116 HydrophobicContact CD2-CD1 3.41Å; Y112-L116 VanDerWaalsContact CD2-CD1 3.41Å; Y112-L116 HydrophobicContact CD2-CG 3.98Å; Y112-L116 HydrophobicContact CE2-CD1 3.8Å; Y112-L116 HydrophobicContact CG-CD1 4.29Å; Y112-L116 PolarHBondContact O-N 3.39Å; Y112-L116 VanDerWaalsContact O-N 3.09Å; V113-L116 PolarHBondContact O-N 3.49Å; L116-T118 VanDerWaalsContact C-N 3.33Å; L116-T118 PolarHBondContact O-N 3.24Å; L116-L119 PolarHBondContact O-N 3.26Å; L116-S120 VanDerWaalsContact O-CB 3.27Å; L116-S120 WeakPolarHBondContact O-CB 3.48Å; L116-S120 PolarHBondContact O-N 2.82Å; L116-S120 PolarHBondContact O-OG 3.46Å |
| 117 | Y | 91.6 | Very high | 93.9 | Very high | 64 Ų | 64 | 42 Ų | 42 | 25% | 0.251 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.3 | -39.2 | 175.8 | -166.9 | -92.6 | 0 | 0 | 0 | 111.5 | M1 I90 V113 S120 R121 | M1-Y117 PolarHBondContact N-OH 2.92Å; I90-Y117 HydrophobicContact CD1-CD2 4.49Å; V113-Y117 WeakPolarHBondContact O-CB 3.35Å; V113-Y117 PolarHBondContact O-N 3.45Å; Y117-S120 PolarHBondContact O-OG 3.12Å; Y117-R121 HydrophobicContact CE1-CG 4.49Å; Y117-R121 VanDerWaalsContact O-CG 3.28Å; Y117-R121 WeakPolarHBondContact O-CG 3.35Å; Y117-R121 PolarHBondContact O-N 3.22Å |
| 118 | T | 92 | Very high | 93.7 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.2 | -46 | 174.4 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | P114 Y115 L116 S120 R121 I122 R175 S178 L179 | P114-T118 PolarHBondContact O-N 3.49Å; P114-T118 VanDerWaalsContact O-N 3.15Å; P114-T118 PolarHBondContact O-OG1 3.12Å; Y115-T118 PolarHBondContact O-N 2.84Å; L116-T118 VanDerWaalsContact C-N 3.33Å; L116-T118 PolarHBondContact O-N 3.24Å; T118-S120 VanDerWaalsContact C-N 3.34Å; T118-S120 PolarHBondContact O-N 3.43Å; T118-R121 PolarHBondContact O-N 3.3Å; T118-I122 HydrophobicContact CG2-CD1 4.08Å; T118-I122 WeakPolarHBondContact O-CG1 3.45Å; T118-I122 PolarHBondContact O-N 3.43Å; T118-R175 WeakPolarHBondContact CG2-O 3.29Å; T118-S178 WeakPolarHBondContact CG2-OG 3.39Å; T118-S178 VanDerWaalsContact OG1-C 3.29Å; T118-S178 PolarHBondContact OG1-O 3.16Å; T118-S178 PolarHBondContact OG1-OG 3.07Å; T118-L179 HydrophobicContact CG2-CD2 4.01Å; T118-L179 HydrophobicContact CG2-CG 3.73Å; T118-L179 WeakPolarHBondContact OG1-CA 3.39Å; T118-L179 WeakPolarHBondContact OG1-CD2 3.38Å; T118-L179 PolarHBondContact OG1-N 3.42Å |
| 119 | L | 95.5 | Very high | 93.5 | Very high | 76 Ų | 76 | 37.2 Ų | 37.2 | 40% | 0.398 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -59.6 | -44 | 178.2 | 179.9 | 60.5 | 0 | 0 | 0 | 111.8 | T86 Y115 L116 R121 I122 L123 | T86-L119 HydrophobicContact CG2-CB 4.31Å; T86-L119 HydrophobicContact CG2-CD2 3.8Å; T86-L119 HydrophobicContact CG2-CG 3.97Å; Y115-L119 WeakPolarHBondContact O-CB 3.27Å; Y115-L119 PolarHBondContact O-N 3.21Å; L116-L119 PolarHBondContact O-N 3.26Å; L119-R121 VanDerWaalsContact C-N 3.28Å; L119-R121 PolarHBondContact O-N 3.08Å; L119-I122 WeakPolarHBondContact O-CB 3.31Å; L119-I122 PolarHBondContact O-N 2.68Å; L119-I122 VanDerWaalsContact O-N 3.17Å; L119-L123 HydrophobicContact CD1-CD1 4.07Å; L119-L123 HydrophobicContact CD1-CG 4.14Å; L119-L123 HydrophobicContact CG-CD1 3.89Å; L119-L123 HydrophobicContact CG-CG 4.4Å; L119-L123 VanDerWaalsContact O-CG 3.29Å; L119-L123 WeakPolarHBondContact O-CG 3.44Å; L119-L123 PolarHBondContact O-N 3.1Å |
| 120 | S | 95 | Very high | 93.3 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.4 | -38.4 | 179.4 | 80.3 | 0 | 0 | 0 | 0 | 111.5 | T86 L116 Y117 T118 L123 T124 | T86-S120 VanDerWaalsContact OG1-CB 3.25Å; T86-S120 WeakPolarHBondContact OG1-CB 3.33Å; L116-S120 VanDerWaalsContact O-CB 3.27Å; L116-S120 WeakPolarHBondContact O-CB 3.48Å; L116-S120 PolarHBondContact O-N 2.82Å; L116-S120 PolarHBondContact O-OG 3.46Å; Y117-S120 PolarHBondContact O-OG 3.12Å; T118-S120 VanDerWaalsContact C-N 3.34Å; T118-S120 PolarHBondContact O-N 3.43Å; S120-L123 PolarHBondContact O-N 3.02Å; S120-T124 WeakPolarHBondContact O-CB 3.43Å; S120-T124 PolarHBondContact O-N 3.35Å; S120-T124 PolarHBondContact O-OG1 3.14Å |
| 121 | R | 90.1 | Very high | 93.1 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 15% | 0.151 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.9 | -40.1 | 174.7 | -68.8 | 177.1 | 80.6 | -169.6 | 11.1 | 112.5 | Y117 T118 L119 V125 R175 S178 D181 | Y117-R121 HydrophobicContact CE1-CG 4.49Å; Y117-R121 VanDerWaalsContact O-CG 3.28Å; Y117-R121 WeakPolarHBondContact O-CG 3.35Å; Y117-R121 PolarHBondContact O-N 3.22Å; T118-R121 PolarHBondContact O-N 3.3Å; L119-R121 VanDerWaalsContact C-N 3.28Å; L119-R121 PolarHBondContact O-N 3.08Å; R121-V125 VanDerWaalsContact O-CG2 3.26Å; R121-V125 WeakPolarHBondContact O-CG2 3.18Å; R121-V125 PolarHBondContact O-N 3.26Å; R121-V125 VanDerWaalsContact O-N 3.09Å; R121-R175 HydrophobicContact CB-CG 4.13Å; R121-S178 VanDerWaalsContact NH1-CB 3.28Å; R121-D181 IonicContact NH1-OD2 3.37Å |
| 122 | I | 92.2 | Very high | 92.9 | Very high | 14 Ų | 14 | 28.9 Ų | 28.9 | 7% | 0.072 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.4 | -51.1 | 173.7 | -68.9 | 166.2 | 0 | 0 | 0 | 109.5 | T118 L119 T124 V125 A126 T172 R175 | T118-I122 HydrophobicContact CG2-CD1 4.08Å; T118-I122 WeakPolarHBondContact O-CG1 3.45Å; T118-I122 PolarHBondContact O-N 3.43Å; L119-I122 WeakPolarHBondContact O-CB 3.31Å; L119-I122 PolarHBondContact O-N 2.68Å; L119-I122 VanDerWaalsContact O-N 3.17Å; I122-T124 PolarHBondContact O-N 3.41Å; I122-V125 PolarHBondContact O-N 3.21Å; I122-A126 WeakPolarHBondContact O-CB 3.28Å; I122-A126 PolarHBondContact O-N 3.37Å; I122-T172 HydrophobicContact CD1-CG2 4.37Å; I122-R175 HydrophobicContact CB-CB 4.49Å; I122-R175 HydrophobicContact CD1-CB 4.46Å; I122-R175 HydrophobicContact CG1-CB 3.46Å; I122-R175 VanDerWaalsContact CG1-CB 3.46Å; I122-R175 HydrophobicContact CG1-CG 4.33Å |
| 123 | L | 96.2 | Very high | 92.6 | Very high | 22 Ų | 22 | 28.3 Ų | 28.3 | 12% | 0.115 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66 | -37.9 | -177.2 | -66.1 | 169.3 | 0 | 0 | 0 | 112.3 | S79 G82 I83 T86 L119 S120 A126 S127 F168 | S79-L123 PolarHBondContact OG-O 3.03Å; G82-L123 VanDerWaalsContact C-CD1 3.46Å; I83-L123 HydrophobicContact CD1-CB 4.43Å; I83-L123 HydrophobicContact CG1-CB 3.71Å; T86-L123 HydrophobicContact CG2-CD1 4.43Å; L119-L123 HydrophobicContact CD1-CD1 4.07Å; L119-L123 HydrophobicContact CD1-CG 4.14Å; L119-L123 HydrophobicContact CG-CD1 3.89Å; L119-L123 HydrophobicContact CG-CG 4.4Å; L119-L123 VanDerWaalsContact O-CG 3.29Å; L119-L123 WeakPolarHBondContact O-CG 3.44Å; L119-L123 PolarHBondContact O-N 3.1Å; S120-L123 PolarHBondContact O-N 3.02Å; L123-A126 PolarHBondContact O-N 2.95Å; L123-S127 VanDerWaalsContact O-CB 3.3Å; L123-S127 WeakPolarHBondContact O-CB 3.47Å; L123-S127 PolarHBondContact O-N 3.12Å; L123-F168 HydrophobicContact CD2-CE1 4.27Å |
| 124 | T | 92.6 | Very high | 92.2 | Very high | 35 Ų | 35 | 28.6 Ų | 28.6 | 22% | 0.215 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.5 | -41.6 | 176.3 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | S120 I122 T128 | S120-T124 WeakPolarHBondContact O-CB 3.43Å; S120-T124 PolarHBondContact O-N 3.35Å; S120-T124 PolarHBondContact O-OG1 3.14Å; I122-T124 PolarHBondContact O-N 3.41Å; T124-T128 WeakPolarHBondContact O-CB 3.49Å; T124-T128 PolarHBondContact O-N 3.41Å; T124-T128 PolarHBondContact O-OG1 3.15Å |
| 125 | V | 89.4 | Confident | 91.8 | Very high | 13 Ų | 13 | 27.9 Ų | 27.9 | 8% | 0.079 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.6 | -46.5 | 174.6 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | R121 I122 S127 T128 Y129 R175 | R121-V125 VanDerWaalsContact O-CG2 3.26Å; R121-V125 WeakPolarHBondContact O-CG2 3.18Å; R121-V125 PolarHBondContact O-N 3.26Å; R121-V125 VanDerWaalsContact O-N 3.09Å; I122-V125 PolarHBondContact O-N 3.21Å; V125-S127 PolarHBondContact O-N 3.32Å; V125-T128 WeakPolarHBondContact O-CB 3.49Å; V125-T128 PolarHBondContact O-N 2.9Å; V125-Y129 HydrophobicContact CG1-CD2 3.64Å; V125-Y129 HydrophobicContact CG1-CE2 3.78Å; V125-Y129 WeakPolarHBondContact O-CD2 3.23Å; V125-Y129 PolarHBondContact O-N 3.31Å; V125-R175 HydrophobicContact CG2-CG 4.2Å |
| 126 | A | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.2 | -48.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I122 L123 T128 Y129 L130 V167 F168 S171 | I122-A126 WeakPolarHBondContact O-CB 3.28Å; I122-A126 PolarHBondContact O-N 3.37Å; L123-A126 PolarHBondContact O-N 2.95Å; A126-T128 VanDerWaalsContact C-N 3.3Å; A126-T128 PolarHBondContact O-N 2.9Å; A126-Y129 PolarHBondContact O-N 3.44Å; A126-L130 WeakPolarHBondContact O-CB 3.45Å; A126-L130 VanDerWaalsContact O-CG 3.23Å; A126-L130 WeakPolarHBondContact O-CG 3.49Å; A126-L130 PolarHBondContact O-N 3.38Å; A126-V167 HydrophobicContact CB-CG1 4.46Å; A126-F168 HydrophobicContact CB-CD1 3.8Å; A126-F168 HydrophobicContact CB-CE1 3.69Å; A126-F168 HydrophobicContact CB-CG 4.49Å; A126-F168 HydrophobicContact CB-CZ 4.29Å; A126-S171 WeakPolarHBondContact CA-OG 3.19Å; A126-S171 PolarHBondContact N-OG 3.36Å |
| 127 | S | 94.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 5% | 0.049 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55.7 | -46.3 | 176.6 | -175.9 | 0 | 0 | 0 | 0 | 111 | L76 D80 L123 V125 L130 V131 R344 | L76-S127 VanDerWaalsContact CD1-O 3.25Å; L76-S127 WeakPolarHBondContact CD1-O 3.5Å; L76-S127 WeakPolarHBondContact CD1-OG 3.22Å; D80-S127 PolarHBondContact OD1-OG 2.86Å; L123-S127 VanDerWaalsContact O-CB 3.3Å; L123-S127 WeakPolarHBondContact O-CB 3.47Å; L123-S127 PolarHBondContact O-N 3.12Å; V125-S127 PolarHBondContact O-N 3.32Å; S127-L130 PolarHBondContact O-N 2.89Å; S127-V131 WeakPolarHBondContact O-CG2 3.44Å; S127-V131 PolarHBondContact O-N 2.97Å; S127-R344 PolarHBondContact OG-NH2 2.88Å |
| 128 | T | 91.6 | Very high | 90 | Very high | 12 Ų | 12 | 19 Ų | 19 | 7% | 0.074 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.3 | -51.4 | 177.1 | -61.6 | 0 | 0 | 0 | 0 | 112.7 | T124 V125 A126 L130 V131 V132 P247 Y298 | T124-T128 WeakPolarHBondContact O-CB 3.49Å; T124-T128 PolarHBondContact O-N 3.41Å; T124-T128 PolarHBondContact O-OG1 3.15Å; V125-T128 WeakPolarHBondContact O-CB 3.49Å; V125-T128 PolarHBondContact O-N 2.9Å; A126-T128 VanDerWaalsContact C-N 3.3Å; A126-T128 PolarHBondContact O-N 2.9Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.22Å; T128-V131 WeakPolarHBondContact O-CB 3.5Å; T128-V131 PolarHBondContact O-N 3.06Å; T128-V132 PolarHBondContact O-N 3.25Å; T128-V132 VanDerWaalsContact O-N 3.12Å; T128-P247 HydrophobicContact CG2-CB 3.25Å; T128-P247 HydrophobicContact CG2-CG 3.54Å; T128-Y298 HydrophobicContact CG2-CE2 3.89Å; T128-Y298 WeakPolarHBondContact CG2-OH 3.43Å |
| 129 | Y | 90.6 | Very high | 89.4 | Confident | 42 Ų | 42 | 22 Ų | 22 | 17% | 0.165 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.6 | -27.7 | -178 | -82.7 | -82 | 0 | 0 | 0 | 112.9 | V125 A126 V131 V132 V133 F170 P247 | V125-Y129 HydrophobicContact CG1-CD2 3.64Å; V125-Y129 HydrophobicContact CG1-CE2 3.78Å; V125-Y129 WeakPolarHBondContact O-CD2 3.23Å; V125-Y129 PolarHBondContact O-N 3.31Å; A126-Y129 PolarHBondContact O-N 3.44Å; Y129-V131 VanDerWaalsContact C-N 3.31Å; Y129-V131 PolarHBondContact O-N 3.47Å; Y129-V132 PolarHBondContact O-N 2.98Å; Y129-V133 WeakPolarHBondContact O-CB 3.4Å; Y129-V133 WeakPolarHBondContact O-CG2 3.17Å; Y129-V133 PolarHBondContact O-N 3.36Å; Y129-F170 HydrophobicContact CD1-CE1 4.47Å; Y129-F170 HydrophobicContact CD2-CD1 4.41Å; Y129-F170 AromaticContact CD2-CE1 3.99Å; Y129-F170 HydrophobicContact CD2-CE1 3.99Å; Y129-F170 HydrophobicContact CE1-CE1 4.12Å; Y129-F170 HydrophobicContact CE2-CD1 4.47Å; Y129-F170 AromaticContact CE2-CE1 3.63Å; Y129-F170 HydrophobicContact CE2-CE1 3.63Å; Y129-F170 HydrophobicContact CE2-CZ 4.5Å; Y129-F170 HydrophobicContact CG-CE1 4.4Å; Y129-F170 AromaticContact CZ-CE1 3.68Å; Y129-P247 HydrophobicContact CE2-CG 4.33Å |
| 130 | L | 92.7 | Very high | 88.6 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.3 | -40.3 | 169.4 | -75.2 | 170.4 | 0 | 0 | 0 | 111.3 | Y72 A75 L76 A126 S127 T128 C134 I164 V167 F168 | Y72-L130 HydrophobicContact CD1-CD2 4.18Å; A75-L130 HydrophobicContact CB-CD1 3.96Å; A75-L130 HydrophobicContact CB-CD2 4.26Å; L76-L130 HydrophobicContact CD1-CB 3.98Å; L76-L130 HydrophobicContact CD1-CD1 4.35Å; A126-L130 WeakPolarHBondContact O-CB 3.45Å; A126-L130 VanDerWaalsContact O-CG 3.23Å; A126-L130 WeakPolarHBondContact O-CG 3.49Å; A126-L130 PolarHBondContact O-N 3.38Å; S127-L130 PolarHBondContact O-N 2.89Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.22Å; L130-C134 WeakPolarHBondContact O-CB 3.33Å; L130-C134 PolarHBondContact O-N 3.3Å; L130-I164 HydrophobicContact CD2-CB 4.47Å; L130-I164 HydrophobicContact CD2-CG1 3.99Å; L130-I164 HydrophobicContact CD2-CG2 4.35Å; L130-V167 HydrophobicContact CD2-CB 4.42Å; L130-V167 HydrophobicContact CD2-CG1 4.29Å; L130-V167 HydrophobicContact CG-CG1 4.03Å; L130-F168 HydrophobicContact CD1-CE2 4.28Å; L130-F168 HydrophobicContact CD1-CZ 4.37Å |
| 131 | V | 91.2 | Very high | 87.6 | Confident | 5 Ų | 5 | 22.5 Ų | 22.5 | 3% | 0.03 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.2 | -40.4 | 174.9 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | L76 S127 T128 Y129 S135 L251 I294 V295 | L76-V131 HydrophobicContact CD1-CG2 3.9Å; L76-V131 HydrophobicContact CD2-CG2 3.93Å; S127-V131 WeakPolarHBondContact O-CG2 3.44Å; S127-V131 PolarHBondContact O-N 2.97Å; T128-V131 WeakPolarHBondContact O-CB 3.5Å; T128-V131 PolarHBondContact O-N 3.06Å; Y129-V131 VanDerWaalsContact C-N 3.31Å; Y129-V131 PolarHBondContact O-N 3.47Å; V131-S135 WeakPolarHBondContact O-CB 3.1Å; V131-S135 PolarHBondContact O-N 2.98Å; V131-S135 PolarHBondContact O-OG 2.9Å; V131-L251 HydrophobicContact CG1-CD1 4.07Å; V131-L251 HydrophobicContact CG1-CD2 3.86Å; V131-I294 HydrophobicContact CG1-CG2 3.77Å; V131-I294 HydrophobicContact CG2-CG2 4.07Å; V131-V295 HydrophobicContact CG1-CG2 4.22Å |
| 132 | V | 89 | Confident | 86.9 | Confident | 20 Ų | 20 | 21.6 Ų | 21.6 | 12% | 0.121 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.5 | -52.7 | 176.2 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | T128 Y129 C134 S135 A136 P247 T250 L251 | T128-V132 PolarHBondContact O-N 3.25Å; T128-V132 VanDerWaalsContact O-N 3.12Å; Y129-V132 PolarHBondContact O-N 2.98Å; V132-C134 VanDerWaalsContact C-N 3.35Å; V132-C134 PolarHBondContact O-N 2.82Å; V132-S135 WeakPolarHBondContact O-CB 3.39Å; V132-S135 PolarHBondContact O-N 3Å; V132-A136 WeakPolarHBondContact O-CB 3.44Å; V132-A136 PolarHBondContact O-N 2.94Å; V132-P247 HydrophobicContact CG2-CB 3.97Å; V132-T250 HydrophobicContact CG1-CG2 3.88Å; V132-L251 HydrophobicContact CB-CD2 4.43Å; V132-L251 HydrophobicContact CG2-CD1 4.34Å; V132-L251 HydrophobicContact CG2-CD2 3.98Å; V132-L251 HydrophobicContact CG2-CG 3.94Å |
| 133 | V | 88.7 | Confident | 86 | Confident | 35 Ų | 35 | 25.4 Ų | 25.4 | 21% | 0.212 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 179.3 | 166.6 | 0 | 0 | 0 | 0 | 111 | Y72 Y129 S135 A136 E137 I163 V167 | Y72-V133 HydrophobicContact CD1-CG1 4.39Å; Y72-V133 HydrophobicContact CE1-CG1 3.63Å; Y129-V133 WeakPolarHBondContact O-CB 3.4Å; Y129-V133 WeakPolarHBondContact O-CG2 3.17Å; Y129-V133 PolarHBondContact O-N 3.36Å; V133-S135 VanDerWaalsContact C-N 3.28Å; V133-S135 PolarHBondContact O-N 3.49Å; V133-A136 PolarHBondContact O-N 2.9Å; V133-E137 PolarHBondContact O-N 3.4Å; V133-I163 HydrophobicContact CB-CG2 4.46Å; V133-I163 HydrophobicContact CG1-CG2 3.43Å; V133-I163 VanDerWaalsContact CG1-CG2 3.43Å; V133-I163 HydrophobicContact CG2-CG2 4.27Å; V133-V167 HydrophobicContact CG2-CG2 3.99Å |
| 134 | C | 87.1 | Confident | 84.7 | Confident | 10 Ų | 10 | 26.8 Ų | 26.8 | 7% | 0.068 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58 | -44.1 | 176.2 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | Y72 L130 V132 E137 R138 | Y72-C134 HydrophobicContact CG-CB 4.39Å; L130-C134 WeakPolarHBondContact O-CB 3.33Å; L130-C134 PolarHBondContact O-N 3.3Å; V132-C134 VanDerWaalsContact C-N 3.35Å; V132-C134 PolarHBondContact O-N 2.82Å; C134-E137 PolarHBondContact O-N 2.97Å; C134-R138 WeakPolarHBondContact O-CB 3.36Å; C134-R138 WeakPolarHBondContact O-CG 3.34Å; C134-R138 PolarHBondContact O-N 3.32Å; C134-R138 VanDerWaalsContact O-N 3.09Å |
| 135 | S | 85.4 | Confident | 83.2 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.5 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | V131 V132 V133 R138 Y139 L251 V254 | V131-S135 WeakPolarHBondContact O-CB 3.1Å; V131-S135 PolarHBondContact O-N 2.98Å; V131-S135 PolarHBondContact O-OG 2.9Å; V132-S135 WeakPolarHBondContact O-CB 3.39Å; V132-S135 PolarHBondContact O-N 3Å; V133-S135 VanDerWaalsContact C-N 3.28Å; V133-S135 PolarHBondContact O-N 3.49Å; S135-R138 PolarHBondContact O-N 2.87Å; S135-Y139 PolarHBondContact O-N 3.13Å; S135-L251 WeakPolarHBondContact OG-CD2 3.32Å; S135-V254 WeakPolarHBondContact O-CG1 3.32Å |
| 136 | A | 83.4 | Confident | 82 | Confident | 34 Ų | 34 | 30.2 Ų | 30.2 | 28% | 0.281 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V132 V133 R138 Y139 M140 | V132-A136 WeakPolarHBondContact O-CB 3.44Å; V132-A136 PolarHBondContact O-N 2.94Å; V133-A136 PolarHBondContact O-N 2.9Å; A136-R138 VanDerWaalsContact C-N 3.27Å; A136-R138 PolarHBondContact O-N 3.07Å; A136-Y139 WeakPolarHBondContact O-CB 3.39Å; A136-Y139 PolarHBondContact O-N 3.13Å; A136-M140 WeakPolarHBondContact O-CG 3.25Å; A136-M140 PolarHBondContact O-N 3.36Å |
| 137 | E | 82.3 | Confident | 80.3 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 2% | 0.023 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.5 | -37.7 | 175.4 | -163.5 | -168.9 | 95.6 | 0 | 0 | 111.5 | Y72 V133 C134 M140 E141 Y152 S156 R160 | Y72-E137 VanDerWaalsContact CE2-OE2 3.22Å; Y72-E137 WeakPolarHBondContact CE2-OE2 3.49Å; Y72-E137 PolarHBondContact OH-OE2 3.35Å; V133-E137 PolarHBondContact O-N 3.4Å; C134-E137 PolarHBondContact O-N 2.97Å; E137-M140 WeakPolarHBondContact O-CB 3.34Å; E137-M140 PolarHBondContact O-N 3.48Å; E137-E141 PolarHBondContact O-N 3.38Å; E137-Y152 HydrophobicContact CG-CE1 4.41Å; E137-S156 PolarHBondContact OE2-OG 2.89Å; E137-S156 VanDerWaalsContact OE2-OG 3.13Å; E137-R160 IonicContact OE1-CZ 3.27Å; E137-R160 IonicContact OE1-NE 3.07Å; E137-R160 PolarHBondContact OE1-NE 3.24Å; E137-R160 IonicContact OE1-NH2 3.95Å; E137-R160 PolarHBondContact OE1-NH2 2.95Å; E137-R160 IonicContact OE2-CZ 3.75Å; E137-R160 IonicContact OE2-NE 2.83Å; E137-R160 PolarHBondContact OE2-NE 3.39Å; E137-R160 VanDerWaalsContact OE2-NE 3.07Å; E137-R160 IonicContact OE2-NH2 2.89Å |
| 138 | R | 78.6 | Confident | 78.8 | Confident | 20 Ų | 20 | 44.1 Ų | 44.1 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.2 | -39.2 | 180 | -68 | -80.1 | 142.4 | -137.9 | -45.4 | 111.2 | Y69 C134 S135 A136 M140 E141 V142 M291 | Y69-R138 VanDerWaalsContact CG-NH1 3.32Å; C134-R138 WeakPolarHBondContact O-CB 3.36Å; C134-R138 WeakPolarHBondContact O-CG 3.34Å; C134-R138 PolarHBondContact O-N 3.32Å; C134-R138 VanDerWaalsContact O-N 3.09Å; S135-R138 PolarHBondContact O-N 2.87Å; A136-R138 VanDerWaalsContact C-N 3.27Å; A136-R138 PolarHBondContact O-N 3.07Å; R138-M140 VanDerWaalsContact C-N 3.34Å; R138-M140 PolarHBondContact O-N 3.13Å; R138-E141 VanDerWaalsContact CZ-CD 3.46Å; R138-E141 IonicContact CZ-OE1 3.98Å; R138-E141 IonicContact CZ-OE2 2.98Å; R138-E141 IonicContact NH1-OE1 3.57Å; R138-E141 IonicContact NH1-OE2 2.7Å; R138-E141 PolarHBondContact NH1-OE2 3Å; R138-E141 IonicContact NH2-OE1 3.61Å; R138-E141 PolarHBondContact NH2-OE1 2.82Å; R138-E141 IonicContact NH2-OE2 3.95Å; R138-E141 PolarHBondContact NH2-OE2 3.28Å; R138-E141 PolarHBondContact O-N 3.43Å; R138-V142 WeakPolarHBondContact O-CG2 3.42Å; R138-V142 PolarHBondContact O-N 2.91Å; R138-M291 HydrophobicContact CB-CE 3.62Å; R138-M291 HydrophobicContact CB-SD 3.35Å; R138-M291 WeakPolarHBondContact CB-SD 3.39Å; R138-M291 HydrophobicContact CG-CE 3.32Å; R138-M291 HydrophobicContact CG-SD 3.78Å |
| 139 | Y | 78.3 | Confident | 77.6 | Confident | 64 Ų | 64 | 46.7 Ų | 46.7 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.3 | -49.9 | 167.8 | 174.7 | -107.2 | 0 | 0 | 0 | 111.5 | S135 A136 E141 V142 M143 L257 T258 N261 | S135-Y139 PolarHBondContact O-N 3.13Å; A136-Y139 WeakPolarHBondContact O-CB 3.39Å; A136-Y139 PolarHBondContact O-N 3.13Å; Y139-E141 VanDerWaalsContact C-N 3.34Å; Y139-E141 PolarHBondContact O-N 3.45Å; Y139-V142 PolarHBondContact O-N 3.03Å; Y139-M143 HydrophobicContact CD2-CG 4.39Å; Y139-M143 HydrophobicContact CE1-CG 4.08Å; Y139-M143 HydrophobicContact CE2-CG 3.94Å; Y139-M143 HydrophobicContact CE2-SD 4.18Å; Y139-M143 WeakPolarHBondContact O-CG 3.22Å; Y139-M143 PolarHBondContact O-N 3.03Å; Y139-L257 HydrophobicContact CD2-CB 3.96Å; Y139-L257 HydrophobicContact CE2-CB 3.57Å; Y139-L257 HydrophobicContact CE2-CD1 4.47Å; Y139-T258 WeakPolarHBondContact CB-OG1 3.49Å; Y139-N261 VanDerWaalsContact CE2-ND2 3.33Å; Y139-N261 WeakPolarHBondContact CE2-ND2 3.44Å |
| 140 | M | 78.9 | Confident | 76.4 | Confident | 80 Ų | 80 | 46 Ų | 46 | 39% | 0.394 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 178.4 | -72.3 | -171.9 | -80.6 | 0 | 0 | 112.6 | A136 E137 R138 M143 Q144 Y152 | A136-M140 WeakPolarHBondContact O-CG 3.25Å; A136-M140 PolarHBondContact O-N 3.36Å; E137-M140 WeakPolarHBondContact O-CB 3.34Å; E137-M140 PolarHBondContact O-N 3.48Å; R138-M140 VanDerWaalsContact C-N 3.34Å; R138-M140 PolarHBondContact O-N 3.13Å; M140-M143 PolarHBondContact O-N 3.01Å; M140-Q144 WeakPolarHBondContact O-CG 3.38Å; M140-Q144 PolarHBondContact O-N 3.48Å; M140-Y152 HydrophobicContact CB-CE1 4.46Å; M140-Y152 VanDerWaalsContact CE-OH 3.25Å; M140-Y152 WeakPolarHBondContact CE-OH 3.44Å; M140-Y152 PolarHBondContact SD-OH 2.77Å |
| 141 | E | 75.1 | Confident | 75.2 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.6 | -32.4 | 176.8 | -77 | -167.5 | -176.8 | 0 | 0 | 113.7 | E137 R138 Y139 M143 Y152 R160 | E137-E141 PolarHBondContact O-N 3.38Å; R138-E141 VanDerWaalsContact CZ-CD 3.46Å; R138-E141 IonicContact CZ-OE1 3.98Å; R138-E141 IonicContact CZ-OE2 2.98Å; R138-E141 IonicContact NH1-OE1 3.57Å; R138-E141 IonicContact NH1-OE2 2.7Å; R138-E141 PolarHBondContact NH1-OE2 3Å; R138-E141 IonicContact NH2-OE1 3.61Å; R138-E141 PolarHBondContact NH2-OE1 2.82Å; R138-E141 IonicContact NH2-OE2 3.95Å; R138-E141 PolarHBondContact NH2-OE2 3.28Å; R138-E141 PolarHBondContact O-N 3.43Å; Y139-E141 VanDerWaalsContact C-N 3.34Å; Y139-E141 PolarHBondContact O-N 3.45Å; E141-M143 VanDerWaalsContact C-N 3.35Å; E141-Y152 HydrophobicContact CG-CD1 4.15Å; E141-Y152 HydrophobicContact CG-CE1 3.84Å; E141-R160 IonicContact OE1-NH2 2.66Å; E141-R160 PolarHBondContact OE1-NH2 3.09Å |
| 142 | V | 75.2 | Confident | 74.1 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 13% | 0.127 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70 | -36.3 | 174.2 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | R138 Y139 Q144 T258 N261 W262 V265 | R138-V142 WeakPolarHBondContact O-CG2 3.42Å; R138-V142 PolarHBondContact O-N 2.91Å; Y139-V142 PolarHBondContact O-N 3.03Å; V142-Q144 VanDerWaalsContact C-N 3.28Å; V142-Q144 PolarHBondContact O-N 2.78Å; V142-T258 HydrophobicContact CG2-CG2 4.07Å; V142-N261 HydrophobicContact CG1-CB 4.09Å; V142-W262 HydrophobicContact CG1-CB 4.07Å; V142-W262 HydrophobicContact CG1-CE3 4.11Å; V142-W262 HydrophobicContact CG2-CE3 3.82Å; V142-W262 HydrophobicContact CG2-CZ3 4.47Å; V142-V265 HydrophobicContact CG1-CG2 4.5Å |
| 143 | M | 72.2 | Confident | 73.1 | Confident | 93 Ų | 93 | 54.2 Ų | 54.2 | 46% | 0.458 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -71.6 | -22 | 178.5 | -69.1 | -56.9 | -67.9 | 0 | 0 | 113.7 | Y139 M140 E141 N261 | Y139-M143 HydrophobicContact CD2-CG 4.39Å; Y139-M143 HydrophobicContact CE1-CG 4.08Å; Y139-M143 HydrophobicContact CE2-CG 3.94Å; Y139-M143 HydrophobicContact CE2-SD 4.18Å; Y139-M143 WeakPolarHBondContact O-CG 3.22Å; Y139-M143 PolarHBondContact O-N 3.03Å; M140-M143 PolarHBondContact O-N 3.01Å; E141-M143 VanDerWaalsContact C-N 3.35Å; M143-N261 HydrophobicContact SD-CB 3.7Å; M143-N261 PolarHBondContact SD-ND2 3.39Å |
| 144 | Q | 68.7 | Low | 72.1 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 24% | 0.238 | 29% | 0.293 | C | S | . | . | trans | -92.8 | 118.9 | -179.2 | -70.9 | 178.2 | 2.1 | 0 | 0 | 111.5 | M140 V142 K149 Y152 | M140-Q144 WeakPolarHBondContact O-CG 3.38Å; M140-Q144 PolarHBondContact O-N 3.48Å; V142-Q144 VanDerWaalsContact C-N 3.28Å; V142-Q144 PolarHBondContact O-N 2.78Å; Q144-K149 HydrophobicContact CB-CB 4.31Å; Q144-Y152 VanDerWaalsContact NE2-CG 3.34Å | ||
| 145 | V | 61.2 | Low | 71.1 | Confident | 103 Ų | 103 | 66.5 Ų | 66.5 | 62% | 0.624 | 31% | 0.311 | S | S | * | . | trans | -105.1 | 142.9 | -179.4 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 146 | G | 64.1 | Low | 70.5 | Confident | 18 Ų | 18 | 66.8 Ų | 66.8 | 19% | 0.186 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | -143.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115 | R148 K149 | G146-R148 PolarHBondContact O-N 3.45Å; G146-R148 VanDerWaalsContact O-N 3.12Å; G146-K149 VanDerWaalsContact O-CB 3.25Å; G146-K149 WeakPolarHBondContact O-CB 3.31Å; G146-K149 PolarHBondContact O-N 2.96Å |
| 147 | Y | 58.6 | Low | 70 | Confident | 136 Ų | 136 | 67.3 Ų | 67.3 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.5 | -29 | -174.3 | 77.9 | -84 | 0 | 0 | 0 | 114.1 | K149 C150 M151 L385 L388 | Y147-K149 VanDerWaalsContact C-N 3.27Å; Y147-K149 PolarHBondContact O-N 3.23Å; Y147-C150 PolarHBondContact O-N 3.34Å; Y147-M151 PolarHBondContact O-N 3.49Å; Y147-M151 VanDerWaalsContact O-N 3.17Å; Y147-L385 VanDerWaalsContact CA-CD2 3.49Å; Y147-L388 HydrophobicContact CD1-CD1 3.87Å; Y147-L388 HydrophobicContact CE1-CD1 4.2Å |
| 148 | R | 62.1 | Low | 69.6 | Low | 163 Ų | 163 | 73.2 Ų | 73.2 | 62% | 0.615 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.8 | -35.2 | 178.2 | -61.1 | -174 | 82 | -169.4 | 6.8 | 111.5 | G146 C150 M151 Y152 | G146-R148 PolarHBondContact O-N 3.45Å; G146-R148 VanDerWaalsContact O-N 3.12Å; R148-C150 VanDerWaalsContact C-N 3.33Å; R148-C150 PolarHBondContact O-N 3.01Å; R148-M151 PolarHBondContact O-N 2.85Å; R148-Y152 VanDerWaalsContact O-CB 3.24Å; R148-Y152 WeakPolarHBondContact O-CB 3.22Å; R148-Y152 PolarHBondContact O-N 2.97Å |
| 149 | K | 66.8 | Low | 69.8 | Low | 66 Ų | 66 | 75.8 Ų | 75.8 | 29% | 0.287 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 175.4 | -172.7 | 177.8 | -179.6 | 176 | 0 | 111.2 | Q144 G146 Y147 Y152 M153 | Q144-K149 HydrophobicContact CB-CB 4.31Å; G146-K149 VanDerWaalsContact O-CB 3.25Å; G146-K149 WeakPolarHBondContact O-CB 3.31Å; G146-K149 PolarHBondContact O-N 2.96Å; Y147-K149 VanDerWaalsContact C-N 3.27Å; Y147-K149 PolarHBondContact O-N 3.23Å; K149-Y152 PolarHBondContact O-N 2.89Å; K149-M153 WeakPolarHBondContact O-CB 3.35Å; K149-M153 PolarHBondContact O-N 2.99Å |
| 150 | C | 65.8 | Low | 70.3 | Confident | 27 Ų | 27 | 72.7 Ų | 72.7 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.8 | -44.5 | -178.8 | -67.9 | 0 | 0 | 0 | 0 | 113 | Y147 R148 Y152 M153 R154 C383 | Y147-C150 PolarHBondContact O-N 3.34Å; R148-C150 VanDerWaalsContact C-N 3.33Å; R148-C150 PolarHBondContact O-N 3.01Å; C150-Y152 VanDerWaalsContact C-N 3.35Å; C150-M153 PolarHBondContact O-N 3.29Å; C150-R154 PolarHBondContact O-N 3.5Å; C150-R154 VanDerWaalsContact O-N 3.1Å; C150-C383 WeakPolarHBondContact CA-SG 3.48Å; C150-C383 HydrophobicContact CB-CB 3.79Å; C150-C383 WeakPolarHBondContact CB-SG 3.24Å; C150-C383 WeakPolarHBondContact SG-CB 3.34Å; C150-C383 CovalentContact SG-SG 2Å; C150-C383 PolarHBondContact SG-SG 2.8Å |
| 151 | M | 65.9 | Low | 70.7 | Confident | 121 Ų | 121 | 73.7 Ų | 73.7 | 60% | 0.596 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61 | -47.1 | 174.8 | -175.5 | 175.6 | -179.2 | 0 | 0 | 110.8 | Y147 R148 R154 I155 | Y147-M151 PolarHBondContact O-N 3.49Å; Y147-M151 VanDerWaalsContact O-N 3.17Å; R148-M151 PolarHBondContact O-N 2.85Å; M151-R154 PolarHBondContact O-N 3.31Å; M151-I155 HydrophobicContact CE-CD1 3.96Å; M151-I155 HydrophobicContact CG-CD1 3.83Å; M151-I155 WeakPolarHBondContact O-CG1 3.45Å; M151-I155 PolarHBondContact O-N 2.96Å |
| 152 | Y | 69.1 | Low | 71.5 | Confident | 49 Ų | 49 | 80.4 Ų | 80.4 | 19% | 0.192 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 177 | 177.3 | -98.7 | 0 | 0 | 0 | 112.5 | E137 M140 E141 Q144 R148 K149 C150 R154 I155 S156 | E137-Y152 HydrophobicContact CG-CE1 4.41Å; M140-Y152 HydrophobicContact CB-CE1 4.46Å; M140-Y152 VanDerWaalsContact CE-OH 3.25Å; M140-Y152 WeakPolarHBondContact CE-OH 3.44Å; M140-Y152 PolarHBondContact SD-OH 2.77Å; E141-Y152 HydrophobicContact CG-CD1 4.15Å; E141-Y152 HydrophobicContact CG-CE1 3.84Å; Q144-Y152 VanDerWaalsContact NE2-CG 3.34Å; R148-Y152 VanDerWaalsContact O-CB 3.24Å; R148-Y152 WeakPolarHBondContact O-CB 3.22Å; R148-Y152 PolarHBondContact O-N 2.97Å; K149-Y152 PolarHBondContact O-N 2.89Å; C150-Y152 VanDerWaalsContact C-N 3.35Å; Y152-R154 VanDerWaalsContact C-N 3.29Å; Y152-R154 PolarHBondContact O-N 3.48Å; Y152-I155 PolarHBondContact O-N 3.46Å; Y152-S156 WeakPolarHBondContact O-CA 3.24Å; Y152-S156 WeakPolarHBondContact O-CB 3.49Å; Y152-S156 PolarHBondContact O-N 3.5Å |
| 153 | M | 68.5 | Low | 72.3 | Confident | 30 Ų | 30 | 82.2 Ų | 82.2 | 15% | 0.148 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.7 | -42.2 | -179.4 | -144.2 | 179.9 | -150.1 | 0 | 0 | 110.6 | K149 C150 Q157 | K149-M153 WeakPolarHBondContact O-CB 3.35Å; K149-M153 PolarHBondContact O-N 2.99Å; C150-M153 PolarHBondContact O-N 3.29Å; M153-Q157 WeakPolarHBondContact O-CG 3.38Å; M153-Q157 PolarHBondContact O-N 3.11Å |
| 154 | R | 66.5 | Low | 73.3 | Confident | 213 Ų | 213 | 78.7 Ų | 78.7 | 80% | 0.804 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.9 | -43.8 | 178.4 | -176.7 | 176 | -88.5 | 174.5 | -6.4 | 112.4 | C150 M151 Y152 | C150-R154 PolarHBondContact O-N 3.5Å; C150-R154 VanDerWaalsContact O-N 3.1Å; M151-R154 PolarHBondContact O-N 3.31Å; Y152-R154 VanDerWaalsContact C-N 3.29Å; Y152-R154 PolarHBondContact O-N 3.48Å |
| 155 | I | 66.3 | Low | 74.5 | Confident | 90 Ų | 90 | 80.4 Ų | 80.4 | 46% | 0.462 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 176.7 | -66.9 | 168.1 | 0 | 0 | 0 | 110.6 | M151 Y152 Q157 | M151-I155 HydrophobicContact CE-CD1 3.96Å; M151-I155 HydrophobicContact CG-CD1 3.83Å; M151-I155 WeakPolarHBondContact O-CG1 3.45Å; M151-I155 PolarHBondContact O-N 2.96Å; Y152-I155 PolarHBondContact O-N 3.46Å; I155-Q157 VanDerWaalsContact C-N 3.32Å; I155-Q157 PolarHBondContact O-N 2.89Å |
| 156 | S | 72.7 | Confident | 76 | Confident | 7 Ų | 7 | 78 Ų | 78 | 5% | 0.049 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.2 | -41 | 179.9 | 167.1 | 0 | 0 | 0 | 0 | 111.5 | E137 Y152 H158 N159 R160 | E137-S156 PolarHBondContact OE2-OG 2.89Å; E137-S156 VanDerWaalsContact OE2-OG 3.13Å; Y152-S156 WeakPolarHBondContact O-CA 3.24Å; Y152-S156 WeakPolarHBondContact O-CB 3.49Å; Y152-S156 PolarHBondContact O-N 3.5Å; S156-H158 PolarHBondContact O-N 2.79Å; S156-N159 CarbonylContact O-C 3.26Å; S156-N159 WeakPolarHBondContact O-CA 3.36Å; S156-N159 WeakPolarHBondContact O-CB 3.44Å; S156-N159 PolarHBondContact O-N 2.69Å; S156-R160 WeakPolarHBondContact O-CG 3.17Å; S156-R160 PolarHBondContact O-N 3.27Å; S156-R160 PolarHBondContact OG-NE 2.94Å; S156-R160 PolarHBondContact OG-NH2 3.34Å |
| 157 | Q | 73 | Confident | 77.4 | Confident | 44 Ų | 44 | 77.8 Ų | 77.8 | 21% | 0.206 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -50 | -49.5 | -176.7 | -69.8 | -59.2 | -16.5 | 0 | 0 | 114.4 | N67 M153 I155 N159 R160 | N67-Q157 VanDerWaalsContact C-OE1 3.22Å; N67-Q157 PolarHBondContact O-NE2 2.9Å; N67-Q157 PolarHBondContact O-OE1 3.01Å; M153-Q157 WeakPolarHBondContact O-CG 3.38Å; M153-Q157 PolarHBondContact O-N 3.11Å; I155-Q157 VanDerWaalsContact C-N 3.32Å; I155-Q157 PolarHBondContact O-N 2.89Å; Q157-N159 VanDerWaalsContact C-N 3.32Å; Q157-R160 PolarHBondContact O-N 3.25Å |
| 158 | H | 74.1 | Confident | 79.1 | Confident | 130 Ų | 130 | 73.8 Ų | 73.8 | 60% | 0.602 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69.6 | -36.3 | -178.9 | -168.9 | 71.2 | 0 | 0 | 0 | 111.1 | S156 R160 W162 | S156-H158 PolarHBondContact O-N 2.79Å; H158-R160 VanDerWaalsContact C-N 3.29Å; H158-R160 PolarHBondContact O-N 3.04Å; H158-W162 AromaticContact NE2-NE1 3.72Å |
| 159 | N | 83.6 | Confident | 80.6 | Confident | 73 Ų | 73 | 71 Ų | 71 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70.1 | -23.5 | 179 | -64.4 | -10.7 | 0 | 0 | 0 | 112.5 | S156 Q157 Y161 W162 I163 | S156-N159 CarbonylContact O-C 3.26Å; S156-N159 WeakPolarHBondContact O-CA 3.36Å; S156-N159 WeakPolarHBondContact O-CB 3.44Å; S156-N159 PolarHBondContact O-N 2.69Å; Q157-N159 VanDerWaalsContact C-N 3.32Å; N159-Y161 PolarHBondContact O-N 3.14Å; N159-W162 WeakPolarHBondContact O-CB 3.27Å; N159-W162 PolarHBondContact O-N 3.31Å; N159-I163 HydrophobicContact CB-CD1 4.41Å; N159-I163 VanDerWaalsContact O-CG1 3.22Å; N159-I163 WeakPolarHBondContact O-CG1 3.2Å; N159-I163 PolarHBondContact O-N 3.46Å |
| 160 | R | 87.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.2 | -42.2 | -180 | -69.2 | -173.6 | 179.9 | 136.3 | 3.4 | 113.1 | T68 Y69 I71 Y72 E137 E141 S156 Q157 H158 W162 I163 I164 | T68-R160 PolarHBondContact O-NH1 3.16Å; Y69-R160 VanDerWaalsContact CA-NH1 3.33Å; I71-R160 HydrophobicContact CG2-CB 3.88Å; I71-R160 HydrophobicContact CG2-CG 4.36Å; Y72-R160 HydrophobicContact CE2-CB 4.25Å; Y72-R160 HydrophobicContact CE2-CG 3.67Å; E137-R160 IonicContact OE1-CZ 3.27Å; E137-R160 IonicContact OE1-NE 3.07Å; E137-R160 PolarHBondContact OE1-NE 3.24Å; E137-R160 IonicContact OE1-NH2 3.95Å; E137-R160 PolarHBondContact OE1-NH2 2.95Å; E137-R160 IonicContact OE2-CZ 3.75Å; E137-R160 IonicContact OE2-NE 2.83Å; E137-R160 PolarHBondContact OE2-NE 3.39Å; E137-R160 VanDerWaalsContact OE2-NE 3.07Å; E137-R160 IonicContact OE2-NH2 2.89Å; E141-R160 IonicContact OE1-NH2 2.66Å; E141-R160 PolarHBondContact OE1-NH2 3.09Å; S156-R160 WeakPolarHBondContact O-CG 3.17Å; S156-R160 PolarHBondContact O-N 3.27Å; S156-R160 PolarHBondContact OG-NE 2.94Å; S156-R160 PolarHBondContact OG-NH2 3.34Å; Q157-R160 PolarHBondContact O-N 3.25Å; H158-R160 VanDerWaalsContact C-N 3.29Å; H158-R160 PolarHBondContact O-N 3.04Å; R160-W162 VanDerWaalsContact C-N 3.34Å; R160-I163 PolarHBondContact O-N 2.8Å; R160-I164 VanDerWaalsContact O-CG1 3.28Å; R160-I164 WeakPolarHBondContact O-CG1 3.47Å; R160-I164 PolarHBondContact O-N 3.28Å |
| 161 | Y | 88.6 | Confident | 82.7 | Confident | 100 Ų | 100 | 70.1 Ų | 70.1 | 39% | 0.392 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 177.6 | -69.2 | -81.7 | 0 | 0 | 0 | 111.5 | I71 N159 I163 I164 M165 | I71-Y161 HydrophobicContact CD1-CE1 3.95Å; I71-Y161 HydrophobicContact CG1-CD1 4.48Å; I71-Y161 HydrophobicContact CG1-CE1 3.89Å; N159-Y161 PolarHBondContact O-N 3.14Å; Y161-I163 VanDerWaalsContact C-N 3.34Å; Y161-I163 PolarHBondContact O-N 2.99Å; Y161-I164 PolarHBondContact O-N 3.06Å; Y161-M165 WeakPolarHBondContact O-CB 3.26Å; Y161-M165 PolarHBondContact O-N 3.2Å |
| 162 | W | 91.4 | Very high | 83.9 | Confident | 154 Ų | 154 | 66.9 Ų | 66.9 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.7 | -40.9 | 174.1 | -73.1 | 105 | 0 | 0 | 0 | 112.2 | H158 N159 R160 M165 A166 | H158-W162 AromaticContact NE2-NE1 3.72Å; N159-W162 WeakPolarHBondContact O-CB 3.27Å; N159-W162 PolarHBondContact O-N 3.31Å; R160-W162 VanDerWaalsContact C-N 3.34Å; W162-M165 HydrophobicContact CD2-CE 4.19Å; W162-M165 HydrophobicContact CE3-CE 3.16Å; W162-M165 HydrophobicContact CH2-CE 4.11Å; W162-M165 HydrophobicContact CZ3-CE 3.13Å; W162-M165 PolarHBondContact O-N 2.94Å; W162-A166 WeakPolarHBondContact O-CB 3.49Å; W162-A166 PolarHBondContact O-N 3Å |
| 163 | I | 91.6 | Very high | 84.7 | Confident | 59 Ų | 59 | 68.7 Ų | 68.7 | 30% | 0.303 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 176.7 | -64.9 | 162.4 | 0 | 0 | 0 | 110.8 | Y72 V133 N159 R160 Y161 M165 A166 V167 | Y72-I163 HydrophobicContact CE1-CG2 4.17Å; Y72-I163 WeakPolarHBondContact OH-CD1 3.5Å; V133-I163 HydrophobicContact CB-CG2 4.46Å; V133-I163 HydrophobicContact CG1-CG2 3.43Å; V133-I163 VanDerWaalsContact CG1-CG2 3.43Å; V133-I163 HydrophobicContact CG2-CG2 4.27Å; N159-I163 HydrophobicContact CB-CD1 4.41Å; N159-I163 VanDerWaalsContact O-CG1 3.22Å; N159-I163 WeakPolarHBondContact O-CG1 3.2Å; N159-I163 PolarHBondContact O-N 3.46Å; R160-I163 PolarHBondContact O-N 2.8Å; Y161-I163 VanDerWaalsContact C-N 3.34Å; Y161-I163 PolarHBondContact O-N 2.99Å; I163-M165 VanDerWaalsContact C-N 3.32Å; I163-M165 PolarHBondContact O-N 2.88Å; I163-A166 PolarHBondContact O-N 3.26Å; I163-V167 WeakPolarHBondContact O-CG2 3.31Å; I163-V167 PolarHBondContact O-N 3.49Å |
| 164 | I | 93.9 | Very high | 85.1 | Confident | 19 Ų | 19 | 69 Ų | 69 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.3 | -47.5 | 176.1 | -70.6 | 164.1 | 0 | 0 | 0 | 109.9 | I71 Y72 A75 L130 R160 Y161 A166 V167 F168 | I71-I164 HydrophobicContact CG1-CD1 3.87Å; I71-I164 HydrophobicContact CG2-CD1 4.19Å; Y72-I164 HydrophobicContact CD1-CD1 4.05Å; Y72-I164 HydrophobicContact CD1-CG1 3.68Å; Y72-I164 HydrophobicContact CE1-CD1 4.29Å; Y72-I164 HydrophobicContact CE1-CG1 3.72Å; A75-I164 HydrophobicContact CB-CD1 4.05Å; A75-I164 HydrophobicContact CB-CG1 4.28Å; A75-I164 HydrophobicContact CB-CG2 3.8Å; L130-I164 HydrophobicContact CD2-CB 4.47Å; L130-I164 HydrophobicContact CD2-CG1 3.99Å; L130-I164 HydrophobicContact CD2-CG2 4.35Å; R160-I164 VanDerWaalsContact O-CG1 3.28Å; R160-I164 WeakPolarHBondContact O-CG1 3.47Å; R160-I164 PolarHBondContact O-N 3.28Å; Y161-I164 PolarHBondContact O-N 3.06Å; I164-A166 VanDerWaalsContact C-N 3.34Å; I164-A166 PolarHBondContact O-N 2.72Å; I164-V167 WeakPolarHBondContact O-CB 3.4Å; I164-V167 PolarHBondContact O-N 3.46Å; I164-F168 HydrophobicContact CG2-CD2 3.93Å; I164-F168 HydrophobicContact CG2-CE2 3.88Å; I164-F168 WeakPolarHBondContact O-CD2 3.4Å; I164-F168 PolarHBondContact O-N 2.98Å; I164-F168 VanDerWaalsContact O-N 3.08Å |
| 165 | M | 94.3 | Very high | 85.9 | Confident | 86 Ų | 86 | 59.7 Ų | 59.7 | 42% | 0.424 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62 | -42 | 177.7 | -173.3 | 175 | 62.4 | 0 | 0 | 112 | Y161 W162 I163 V167 F168 L169 | Y161-M165 WeakPolarHBondContact O-CB 3.26Å; Y161-M165 PolarHBondContact O-N 3.2Å; W162-M165 HydrophobicContact CD2-CE 4.19Å; W162-M165 HydrophobicContact CE3-CE 3.16Å; W162-M165 HydrophobicContact CH2-CE 4.11Å; W162-M165 HydrophobicContact CZ3-CE 3.13Å; W162-M165 PolarHBondContact O-N 2.94Å; I163-M165 VanDerWaalsContact C-N 3.32Å; I163-M165 PolarHBondContact O-N 2.88Å; M165-V167 VanDerWaalsContact C-N 3.3Å; M165-V167 PolarHBondContact O-N 2.74Å; M165-F168 PolarHBondContact O-N 3.35Å; M165-L169 HydrophobicContact CG-CD1 4.08Å; M165-L169 HydrophobicContact CG-CG 4.4Å; M165-L169 WeakPolarHBondContact O-CB 3.37Å; M165-L169 WeakPolarHBondContact O-CG 3.36Å; M165-L169 PolarHBondContact O-N 3.09Å |
| 166 | A | 92.3 | Very high | 86.9 | Confident | 54 Ų | 54 | 58.3 Ų | 58.3 | 45% | 0.446 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | W162 I163 I164 L169 F170 | W162-A166 WeakPolarHBondContact O-CB 3.49Å; W162-A166 PolarHBondContact O-N 3Å; I163-A166 PolarHBondContact O-N 3.26Å; I164-A166 VanDerWaalsContact C-N 3.34Å; I164-A166 PolarHBondContact O-N 2.72Å; A166-L169 PolarHBondContact O-N 3.47Å; A166-F170 WeakPolarHBondContact O-CB 3.25Å; A166-F170 PolarHBondContact O-N 3Å |
| 167 | V | 92.5 | Very high | 87.3 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 174.8 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | A126 L130 V133 I163 I164 M165 F170 S171 | A126-V167 HydrophobicContact CB-CG1 4.46Å; L130-V167 HydrophobicContact CD2-CB 4.42Å; L130-V167 HydrophobicContact CD2-CG1 4.29Å; L130-V167 HydrophobicContact CG-CG1 4.03Å; V133-V167 HydrophobicContact CG2-CG2 3.99Å; I163-V167 WeakPolarHBondContact O-CG2 3.31Å; I163-V167 PolarHBondContact O-N 3.49Å; I164-V167 WeakPolarHBondContact O-CB 3.4Å; I164-V167 PolarHBondContact O-N 3.46Å; M165-V167 VanDerWaalsContact C-N 3.3Å; M165-V167 PolarHBondContact O-N 2.74Å; V167-F170 PolarHBondContact O-N 3.47Å; V167-S171 WeakPolarHBondContact O-CB 3.41Å; V167-S171 PolarHBondContact O-N 2.9Å; V167-S171 PolarHBondContact O-OG 3.36Å |
| 168 | F | 95.2 | Very high | 87.8 | Confident | 52 Ų | 52 | 59.2 Ų | 59.2 | 23% | 0.228 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 176.9 | -82.7 | -76.2 | 0 | 0 | 0 | 112.2 | L123 A126 L130 I164 M165 S171 T172 | L123-F168 HydrophobicContact CD2-CE1 4.27Å; A126-F168 HydrophobicContact CB-CD1 3.8Å; A126-F168 HydrophobicContact CB-CE1 3.69Å; A126-F168 HydrophobicContact CB-CG 4.49Å; A126-F168 HydrophobicContact CB-CZ 4.29Å; L130-F168 HydrophobicContact CD1-CE2 4.28Å; L130-F168 HydrophobicContact CD1-CZ 4.37Å; I164-F168 HydrophobicContact CG2-CD2 3.93Å; I164-F168 HydrophobicContact CG2-CE2 3.88Å; I164-F168 WeakPolarHBondContact O-CD2 3.4Å; I164-F168 PolarHBondContact O-N 2.98Å; I164-F168 VanDerWaalsContact O-N 3.08Å; M165-F168 PolarHBondContact O-N 3.35Å; F168-S171 PolarHBondContact O-N 3.48Å; F168-T172 WeakPolarHBondContact O-CB 3.25Å; F168-T172 PolarHBondContact O-N 2.92Å; F168-T172 PolarHBondContact O-OG1 2.96Å |
| 169 | L | 92.5 | Very high | 88.3 | Confident | 104 Ų | 104 | 55.2 Ų | 55.2 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 175.6 | -73.4 | 171 | 0 | 0 | 0 | 111.4 | M165 A166 S171 T172 S173 | M165-L169 HydrophobicContact CG-CD1 4.08Å; M165-L169 HydrophobicContact CG-CG 4.4Å; M165-L169 WeakPolarHBondContact O-CB 3.37Å; M165-L169 WeakPolarHBondContact O-CG 3.36Å; M165-L169 PolarHBondContact O-N 3.09Å; A166-L169 PolarHBondContact O-N 3.47Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 3.47Å; L169-T172 PolarHBondContact O-N 2.98Å; L169-S173 WeakPolarHBondContact O-CB 3.41Å; L169-S173 PolarHBondContact O-N 3.23Å; L169-S173 PolarHBondContact O-OG 3.28Å; L169-S173 VanDerWaalsContact O-OG 3.05Å |
| 170 | F | 86.9 | Confident | 88.5 | Confident | 75 Ų | 75 | 59.1 Ų | 59.1 | 33% | 0.329 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58 | -46.4 | 175.5 | 172.1 | -99.2 | 0 | 0 | 0 | 111.6 | Y129 A166 V167 T172 S173 F174 L217 | Y129-F170 HydrophobicContact CD1-CE1 4.47Å; Y129-F170 HydrophobicContact CD2-CD1 4.41Å; Y129-F170 AromaticContact CD2-CE1 3.99Å; Y129-F170 HydrophobicContact CD2-CE1 3.99Å; Y129-F170 HydrophobicContact CE1-CE1 4.12Å; Y129-F170 HydrophobicContact CE2-CD1 4.47Å; Y129-F170 AromaticContact CE2-CE1 3.63Å; Y129-F170 HydrophobicContact CE2-CE1 3.63Å; Y129-F170 HydrophobicContact CE2-CZ 4.5Å; Y129-F170 HydrophobicContact CG-CE1 4.4Å; Y129-F170 AromaticContact CZ-CE1 3.68Å; A166-F170 WeakPolarHBondContact O-CB 3.25Å; A166-F170 PolarHBondContact O-N 3Å; V167-F170 PolarHBondContact O-N 3.47Å; F170-T172 PolarHBondContact O-N 3.5Å; F170-S173 PolarHBondContact O-N 2.78Å; F170-F174 WeakPolarHBondContact O-CB 3.35Å; F170-F174 PolarHBondContact O-N 2.97Å; F170-L217 HydrophobicContact CE2-CD1 4.01Å; F170-L217 HydrophobicContact CZ-CD1 3.69Å |
| 171 | S | 90.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | -179.1 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | A126 V167 F168 L169 F174 R175 | A126-S171 WeakPolarHBondContact CA-OG 3.19Å; A126-S171 PolarHBondContact N-OG 3.36Å; V167-S171 WeakPolarHBondContact O-CB 3.41Å; V167-S171 PolarHBondContact O-N 2.9Å; V167-S171 PolarHBondContact O-OG 3.36Å; F168-S171 PolarHBondContact O-N 3.48Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 3.47Å; S171-F174 PolarHBondContact O-N 3.43Å; S171-R175 PolarHBondContact O-N 2.81Å |
| 172 | T | 91 | Very high | 88.3 | Confident | 54 Ų | 54 | 55.8 Ų | 55.8 | 33% | 0.331 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.2 | -53.1 | 175.5 | -62 | 0 | 0 | 0 | 0 | 110.7 | I122 F168 L169 F170 F174 R175 I176 | I122-T172 HydrophobicContact CD1-CG2 4.37Å; F168-T172 WeakPolarHBondContact O-CB 3.25Å; F168-T172 PolarHBondContact O-N 2.92Å; F168-T172 PolarHBondContact O-OG1 2.96Å; L169-T172 PolarHBondContact O-N 2.98Å; F170-T172 PolarHBondContact O-N 3.5Å; T172-F174 PolarHBondContact O-N 3.33Å; T172-F174 VanDerWaalsContact O-N 3.17Å; T172-R175 PolarHBondContact O-N 3.15Å; T172-I176 HydrophobicContact CG2-CB 4.38Å; T172-I176 HydrophobicContact CG2-CD1 4.4Å; T172-I176 VanDerWaalsContact O-CB 3.27Å; T172-I176 WeakPolarHBondContact O-CB 3.42Å; T172-I176 PolarHBondContact O-N 2.66Å |
| 173 | S | 85.5 | Confident | 88.2 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 60% | 0.601 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -56.5 | -35.7 | 179 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | L169 F170 | L169-S173 WeakPolarHBondContact O-CB 3.41Å; L169-S173 PolarHBondContact O-N 3.23Å; L169-S173 PolarHBondContact O-OG 3.28Å; L169-S173 VanDerWaalsContact O-OG 3.05Å; F170-S173 PolarHBondContact O-N 2.78Å |
| 174 | F | 77.7 | Confident | 88.3 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.4 | -28.4 | 179.3 | -165.5 | -105.6 | 0 | 0 | 0 | 113.8 | F170 S171 T172 Y213 L217 Q243 | F170-F174 WeakPolarHBondContact O-CB 3.35Å; F170-F174 PolarHBondContact O-N 2.97Å; S171-F174 PolarHBondContact O-N 3.43Å; T172-F174 PolarHBondContact O-N 3.33Å; T172-F174 VanDerWaalsContact O-N 3.17Å; F174-Y213 PolarHBondContact O-OH 2.89Å; F174-L217 HydrophobicContact CD2-CD1 3.76Å; F174-L217 HydrophobicContact CD2-CG 4.36Å; F174-L217 HydrophobicContact CE2-CB 4.36Å; F174-L217 HydrophobicContact CE2-CD1 3.48Å; F174-L217 VanDerWaalsContact CE2-CD1 3.48Å; F174-L217 HydrophobicContact CE2-CG 3.97Å; F174-L217 HydrophobicContact CZ-CD1 4.33Å; F174-Q243 HydrophobicContact CE1-CB 4.3Å |
| 175 | R | 84 | Confident | 88.1 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 7% | 0.068 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -117.1 | -16.3 | -170.5 | -69 | -60.5 | -162.1 | -156.7 | -1.1 | 115.1 | T118 R121 I122 V125 S171 T172 I177 S178 | T118-R175 WeakPolarHBondContact CG2-O 3.29Å; R121-R175 HydrophobicContact CB-CG 4.13Å; I122-R175 HydrophobicContact CB-CB 4.49Å; I122-R175 HydrophobicContact CD1-CB 4.46Å; I122-R175 HydrophobicContact CG1-CB 3.46Å; I122-R175 VanDerWaalsContact CG1-CB 3.46Å; I122-R175 HydrophobicContact CG1-CG 4.33Å; V125-R175 HydrophobicContact CG2-CG 4.2Å; S171-R175 PolarHBondContact O-N 2.81Å; T172-R175 PolarHBondContact O-N 3.15Å; R175-I177 PolarHBondContact O-N 3.06Å; R175-I177 VanDerWaalsContact O-N 3.11Å; R175-S178 WeakPolarHBondContact O-CB 3.27Å; R175-S178 PolarHBondContact O-N 3.09Å; R175-S178 PolarHBondContact O-OG 3.08Å |
| 176 | I | 85.7 | Confident | 87.9 | Confident | 60 Ų | 60 | 57 Ų | 57 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -57.3 | -33.5 | -174.3 | -165.7 | 67.3 | 0 | 0 | 0 | 112.6 | T172 S178 L179 W180 | T172-I176 HydrophobicContact CG2-CB 4.38Å; T172-I176 HydrophobicContact CG2-CD1 4.4Å; T172-I176 VanDerWaalsContact O-CB 3.27Å; T172-I176 WeakPolarHBondContact O-CB 3.42Å; T172-I176 PolarHBondContact O-N 2.66Å; I176-S178 PolarHBondContact O-N 3.38Å; I176-S178 VanDerWaalsContact O-N 3.15Å; I176-L179 HydrophobicContact CD1-CD1 3.55Å; I176-L179 HydrophobicContact CD1-CG 4.4Å; I176-L179 HydrophobicContact CG1-CD1 4.16Å; I176-L179 WeakPolarHBondContact O-CB 3.24Å; I176-L179 WeakPolarHBondContact O-CG 3.11Å; I176-L179 PolarHBondContact O-N 3.31Å; I176-L179 VanDerWaalsContact O-N 3.07Å; I176-W180 HydrophobicContact CG1-CZ3 4.46Å; I176-W180 WeakPolarHBondContact O-CZ3 3.26Å |
| 177 | I | 82.9 | Confident | 87.8 | Confident | 66 Ų | 66 | 57 Ų | 57 | 34% | 0.338 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -61.1 | -25.9 | 179.1 | -54.2 | 177.3 | 0 | 0 | 0 | 111.5 | R175 L179 W180 Y209 Y213 | R175-I177 PolarHBondContact O-N 3.06Å; R175-I177 VanDerWaalsContact O-N 3.11Å; I177-L179 PolarHBondContact O-N 3.04Å; I177-L179 VanDerWaalsContact O-N 3.08Å; I177-W180 PolarHBondContact O-N 3.5Å; I177-Y209 HydrophobicContact CG2-CE2 4.03Å; I177-Y209 WeakPolarHBondContact CG2-OH 3.21Å; I177-Y213 HydrophobicContact CB-CE2 4.03Å |
| 178 | S | 81.7 | Confident | 87.5 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 4% | 0.035 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -66.9 | -9.3 | 177.1 | 64.2 | 0 | 0 | 0 | 0 | 114.9 | T118 R121 R175 I176 W180 D181 | T118-S178 WeakPolarHBondContact CG2-OG 3.39Å; T118-S178 VanDerWaalsContact OG1-C 3.29Å; T118-S178 PolarHBondContact OG1-O 3.16Å; T118-S178 PolarHBondContact OG1-OG 3.07Å; R121-S178 VanDerWaalsContact NH1-CB 3.28Å; R175-S178 WeakPolarHBondContact O-CB 3.27Å; R175-S178 PolarHBondContact O-N 3.09Å; R175-S178 PolarHBondContact O-OG 3.08Å; I176-S178 PolarHBondContact O-N 3.38Å; I176-S178 VanDerWaalsContact O-N 3.15Å; S178-W180 PolarHBondContact O-N 3.18Å; S178-D181 WeakPolarHBondContact CA-OD2 3.36Å; S178-D181 WeakPolarHBondContact CB-OD2 3.4Å; S178-D181 WeakPolarHBondContact O-CB 3.28Å; S178-D181 PolarHBondContact O-N 3.2Å; S178-D181 VanDerWaalsContact O-N 3.16Å |
| 179 | L | 86.5 | Confident | 87.2 | Confident | 46 Ų | 46 | 67 Ų | 67 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -59.8 | -30.6 | 168.1 | -76.8 | 174.7 | 0 | 0 | 0 | 112.3 | Y115 T118 I176 I177 | Y115-L179 HydrophobicContact CD1-CD2 3.68Å; Y115-L179 HydrophobicContact CE1-CD2 4.4Å; Y115-L179 HydrophobicContact CG-CD2 4.41Å; T118-L179 HydrophobicContact CG2-CD2 4.01Å; T118-L179 HydrophobicContact CG2-CG 3.73Å; T118-L179 WeakPolarHBondContact OG1-CA 3.39Å; T118-L179 WeakPolarHBondContact OG1-CD2 3.38Å; T118-L179 PolarHBondContact OG1-N 3.42Å; I176-L179 HydrophobicContact CD1-CD1 3.55Å; I176-L179 HydrophobicContact CD1-CG 4.4Å; I176-L179 HydrophobicContact CG1-CD1 4.16Å; I176-L179 WeakPolarHBondContact O-CB 3.24Å; I176-L179 WeakPolarHBondContact O-CG 3.11Å; I176-L179 PolarHBondContact O-N 3.31Å; I176-L179 VanDerWaalsContact O-N 3.07Å; I177-L179 PolarHBondContact O-N 3.04Å; I177-L179 VanDerWaalsContact O-N 3.08Å |
| 180 | W | 86.8 | Confident | 87 | Confident | 154 Ų | 154 | 62.6 Ų | 62.6 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -94.6 | 10.2 | -179.6 | -64.9 | -88.1 | 0 | 0 | 0 | 112.8 | I176 I177 S178 L182 T201 | I176-W180 HydrophobicContact CG1-CZ3 4.46Å; I176-W180 WeakPolarHBondContact O-CZ3 3.26Å; I177-W180 PolarHBondContact O-N 3.5Å; S178-W180 PolarHBondContact O-N 3.18Å; W180-L182 VanDerWaalsContact C-N 3.34Å; W180-T201 WeakPolarHBondContact O-CB 3.47Å; W180-T201 WeakPolarHBondContact O-CG2 3.29Å; W180-T201 PolarHBondContact O-OG1 3.24Å |
| 181 | D | 84 | Confident | 87.1 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.027 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -76.9 | -25.3 | 178.1 | -71.3 | -17.7 | 0 | 0 | 0 | 112.1 | M1 R121 S178 L200 T201 A204 Y209 | M1-D181 WeakPolarHBondContact CE-OD2 3.45Å; R121-D181 IonicContact NH1-OD2 3.37Å; S178-D181 WeakPolarHBondContact CA-OD2 3.36Å; S178-D181 WeakPolarHBondContact CB-OD2 3.4Å; S178-D181 WeakPolarHBondContact O-CB 3.28Å; S178-D181 PolarHBondContact O-N 3.2Å; S178-D181 VanDerWaalsContact O-N 3.16Å; D181-L200 WeakPolarHBondContact O-CA 3.42Å; D181-T201 PolarHBondContact O-N 2.88Å; D181-T201 VanDerWaalsContact O-N 3.13Å; D181-A204 HydrophobicContact CB-CB 4.16Å; D181-A204 WeakPolarHBondContact O-CB 3.48Å; D181-Y209 PolarHBondContact OD1-OH 3.47Å |
| 182 | L | 87.5 | Confident | 87.1 | Confident | 26 Ų | 26 | 66.3 Ų | 66.3 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 137.9 | -175.5 | -65.8 | 169.3 | 0 | 0 | 0 | 111.1 | W4 P114 W180 L198 Q199 | W4-L182 HydrophobicContact CD2-CD2 4.19Å; W4-L182 HydrophobicContact CG-CD2 4.12Å; P114-L182 HydrophobicContact CB-CB 4.26Å; P114-L182 HydrophobicContact CB-CD1 4.34Å; P114-L182 HydrophobicContact CG-CB 4.21Å; P114-L182 HydrophobicContact CG-CD1 4.35Å; W180-L182 VanDerWaalsContact C-N 3.34Å; L182-L198 HydrophobicContact CB-CD2 3.97Å; L182-Q199 WeakPolarHBondContact CA-O 3.21Å |
| 183 | Q | 90.2 | Very high | 87.1 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 140.3 | 172 | 57.5 | -177.3 | 21.2 | 0 | 0 | 110.6 | V185 L198 Q199 T201 | Q183-V185 HydrophobicContact CG-CG2 4.07Å; Q183-L198 WeakPolarHBondContact O-CA 3.28Å; Q183-Q199 HydrophobicContact CG-CB 4.45Å; Q183-Q199 WeakPolarHBondContact CG-O 3.28Å; Q183-Q199 PolarHBondContact N-O 2.91Å; Q183-Q199 PolarHBondContact O-N 2.93Å; Q183-T201 HydrophobicContact CB-CG2 3.79Å; Q183-T201 HydrophobicContact CG-CG2 3.9Å |
| 184 | L | 92.2 | Very high | 87.4 | Confident | 81 Ų | 81 | 61.3 Ų | 61.3 | 42% | 0.424 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 122.2 | 170.7 | -176.2 | 63.4 | 0 | 0 | 0 | 108.5 | L110 | L110-L184 HydrophobicContact CB-CD1 3.94Å; L110-L184 HydrophobicContact CD1-CD1 3.91Å; L110-L184 HydrophobicContact CG-CD1 4.44Å |
| 185 | V | 90.8 | Very high | 88 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 23% | 0.23 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 122.7 | 177.9 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | Q183 S196 E197 Q199 | Q183-V185 HydrophobicContact CG-CG2 4.07Å; V185-S196 WeakPolarHBondContact O-CA 3.24Å; V185-E197 PolarHBondContact N-O 2.91Å; V185-E197 PolarHBondContact O-N 3.19Å; V185-Q199 HydrophobicContact CB-CG 4.42Å; V185-Q199 HydrophobicContact CG2-CB 4.07Å; V185-Q199 HydrophobicContact CG2-CG 3.94Å |
| 186 | E | 90.5 | Very high | 88.3 | Confident | 146 Ų | 146 | 60.3 Ų | 60.3 | 68% | 0.682 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 133.2 | 175.2 | -64.5 | 179.5 | -176.8 | 0 | 0 | 109.5 | S195 | E186-S195 WeakPolarHBondContact CA-O 3.17Å |
| 187 | K | 89.3 | Confident | 88.6 | Confident | 53 Ų | 53 | 59.9 Ų | 59.9 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | trans | -107.7 | 100.8 | 176.4 | -67.3 | 177.6 | -176.4 | 166.3 | 0 | 108.2 | D189 C190 S195 E197 | K187-D189 PolarHBondContact O-N 3.17Å; K187-D189 VanDerWaalsContact O-N 3.16Å; K187-C190 HydrophobicContact CB-CB 4.08Å; K187-C190 PolarHBondContact O-N 3.49Å; K187-C190 VanDerWaalsContact O-N 3.11Å; K187-S195 PolarHBondContact N-O 2.97Å; K187-E197 VanDerWaalsContact CE-CD 3.44Å; K187-E197 WeakPolarHBondContact CE-OE1 3.18Å; K187-E197 IonicContact NZ-OE1 3.06Å; K187-E197 PolarHBondContact NZ-OE1 2.7Å; K187-E197 IonicContact NZ-OE2 3.07Å; K187-E197 PolarHBondContact NZ-OE2 2.92Å | ||
| 188 | P | 85.5 | Confident | 88.9 | Confident | 124 Ų | 124 | 57.1 Ų | 57.1 | 81% | 0.805 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.4 | -172.3 | 25.7 | -34.3 | 0 | 0 | 0 | 113.6 | C190 | P188-C190 VanDerWaalsContact C-N 3.32Š|
| 189 | D | 89.1 | Confident | 89.2 | Confident | 150 Ų | 150 | 59.4 Ų | 59.4 | 80% | 0.802 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -6.4 | -179.4 | -55.3 | -45.2 | 0 | 0 | 0 | 113.3 | K187 | K187-D189 PolarHBondContact O-N 3.17Å; K187-D189 VanDerWaalsContact O-N 3.16Å |
| 190 | C | 89.8 | Confident | 89.2 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 8% | 0.081 | 30% | 0.304 | C | S | . | . | trans | -109.8 | 151.6 | -175.9 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | C23 K187 P188 A194 S195 | C23-C190 WeakPolarHBondContact CA-SG 3.36Å; C23-C190 HydrophobicContact CB-CB 3.79Å; C23-C190 WeakPolarHBondContact CB-SG 3.42Å; C23-C190 VanDerWaalsContact SG-CA 3.5Å; C23-C190 WeakPolarHBondContact SG-CB 3.43Å; C23-C190 CovalentContact SG-SG 2.04Å; C23-C190 PolarHBondContact SG-SG 2.9Å; K187-C190 HydrophobicContact CB-CB 4.08Å; K187-C190 PolarHBondContact O-N 3.49Å; K187-C190 VanDerWaalsContact O-N 3.11Å; P188-C190 VanDerWaalsContact C-N 3.32Å; C190-A194 HydrophobicContact CB-CB 4.05Å; C190-A194 VanDerWaalsContact CB-O 3.27Å; C190-A194 WeakPolarHBondContact CB-O 3.24Å; C190-S195 WeakPolarHBondContact O-CB 3.44Å | ||
| 191 | T | 88.6 | Confident | 89.2 | Confident | 129 Ų | 129 | 51 Ų | 51 | 79% | 0.791 | 28% | 0.282 | S | S | * | . | trans | -122.7 | 162 | 177.9 | 57.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 192 | G | 90.5 | Very high | 89.3 | Confident | 23 Ų | 23 | 58.9 Ų | 58.9 | 24% | 0.237 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | 68.9 | -146.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E103 F107 A194 S195 | E103-G192 VanDerWaalsContact OE1-CA 3.24Å; E103-G192 WeakPolarHBondContact OE1-CA 3.21Å; F107-G192 WeakPolarHBondContact CZ-O 3.49Å; G192-A194 PolarHBondContact O-N 3.32Å; G192-A194 VanDerWaalsContact O-N 3.17Å; G192-S195 WeakPolarHBondContact O-CB 3.42Å; G192-S195 PolarHBondContact O-N 3.19Å; G192-S195 VanDerWaalsContact O-N 3.09Å; G192-S195 PolarHBondContact O-OG 3.48Å |
| 193 | F | 91.1 | Very high | 89 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -55.9 | -29.5 | 176.1 | -69.8 | -91.5 | 0 | 0 | 0 | 114.5 | Y25 Y97 N101 E103 Y106 S195 | Y25-F193 HydrophobicContact CD1-CB 3.93Å; Y25-F193 HydrophobicContact CD1-CG 4.32Å; Y25-F193 HydrophobicContact CD2-CB 3.65Å; Y25-F193 HydrophobicContact CE1-CB 4.3Å; Y25-F193 HydrophobicContact CE1-CD1 4.22Å; Y25-F193 HydrophobicContact CE1-CG 4.32Å; Y25-F193 HydrophobicContact CE2-CB 4.06Å; Y25-F193 HydrophobicContact CE2-CD1 4.23Å; Y25-F193 HydrophobicContact CG-CB 3.58Å; Y25-F193 HydrophobicContact CG-CG 4.42Å; Y97-F193 HydrophobicContact CD2-CE1 4.25Å; N101-F193 WeakPolarHBondContact OD1-CE2 3.43Å; N101-F193 WeakPolarHBondContact OD1-CZ 3.45Å; E103-F193 HydrophobicContact CB-CE2 3.99Å; E103-F193 HydrophobicContact CB-CZ 4.01Å; E103-F193 HydrophobicContact CG-CE2 4.42Å; Y106-F193 AromaticContact CD1-CD1 3.6Å; Y106-F193 HydrophobicContact CD1-CD1 3.6Å; Y106-F193 HydrophobicContact CD1-CE1 4.23Å; Y106-F193 HydrophobicContact CD1-CG 4.42Å; Y106-F193 HydrophobicContact CD2-CD1 4.14Å; Y106-F193 HydrophobicContact CD2-CE1 4.46Å; Y106-F193 HydrophobicContact CE1-CB 4.41Å; Y106-F193 HydrophobicContact CE1-CD1 4.13Å; Y106-F193 WeakPolarHBondContact CE1-O 3.4Å; Y106-F193 AromaticContact CG-CD1 3.59Å; Y106-F193 HydrophobicContact CG-CD1 3.59Å; Y106-F193 AromaticContact CG-CE1 3.86Å; Y106-F193 HydrophobicContact CG-CE1 3.86Å; F193-S195 VanDerWaalsContact C-N 3.26Å; F193-S195 PolarHBondContact O-N 3.2Å |
| 194 | A | 90.1 | Very high | 88.5 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -78.2 | -7.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | C23 C190 G192 S196 | C23-A194 HydrophobicContact CB-CB 4.38Å; C23-A194 WeakPolarHBondContact O-CB 3.34Å; C190-A194 HydrophobicContact CB-CB 4.05Å; C190-A194 VanDerWaalsContact CB-O 3.27Å; C190-A194 WeakPolarHBondContact CB-O 3.24Å; G192-A194 PolarHBondContact O-N 3.32Å; G192-A194 VanDerWaalsContact O-N 3.17Å; A194-S196 VanDerWaalsContact C-N 3.34Å |
| 195 | S | 91.5 | Very high | 87.8 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 15% | 0.154 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -73.9 | -22 | -176.9 | 65.5 | 0 | 0 | 0 | 0 | 114.2 | F107 E186 K187 C190 G192 F193 | F107-S195 WeakPolarHBondContact CE1-OG 3.13Å; F107-S195 VanDerWaalsContact CZ-OG 3.22Å; F107-S195 WeakPolarHBondContact CZ-OG 3.41Å; E186-S195 WeakPolarHBondContact CA-O 3.17Å; K187-S195 PolarHBondContact N-O 2.97Å; C190-S195 WeakPolarHBondContact O-CB 3.44Å; G192-S195 WeakPolarHBondContact O-CB 3.42Å; G192-S195 PolarHBondContact O-N 3.19Å; G192-S195 VanDerWaalsContact O-N 3.09Å; G192-S195 PolarHBondContact O-OG 3.48Å; F193-S195 VanDerWaalsContact C-N 3.26Å; F193-S195 PolarHBondContact O-N 3.2Å |
| 196 | S | 90.5 | Very high | 87.2 | Confident | 13 Ų | 13 | 61 Ų | 61 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 140 | -179.6 | -62.4 | 0 | 0 | 0 | 0 | 109.9 | Y106 V185 A194 | Y106-S196 PolarHBondContact OH-O 2.96Å; V185-S196 WeakPolarHBondContact O-CA 3.24Å; A194-S196 VanDerWaalsContact C-N 3.34Å |
| 197 | E | 90.6 | Very high | 86.5 | Confident | 50 Ų | 50 | 58 Ų | 58 | 23% | 0.234 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 158.5 | 174.6 | 68.4 | -172.4 | -174.8 | 0 | 0 | 111.3 | V185 K187 Q199 | V185-E197 PolarHBondContact N-O 2.91Å; V185-E197 PolarHBondContact O-N 3.19Å; K187-E197 VanDerWaalsContact CE-CD 3.44Å; K187-E197 WeakPolarHBondContact CE-OE1 3.18Å; K187-E197 IonicContact NZ-OE1 3.06Å; K187-E197 PolarHBondContact NZ-OE1 2.7Å; K187-E197 IonicContact NZ-OE2 3.07Å; K187-E197 PolarHBondContact NZ-OE2 2.92Å; E197-Q199 HydrophobicContact CG-CG 4.08Å; E197-Q199 PolarHBondContact OE1-NE2 3.23Å |
| 198 | L | 90.3 | Very high | 85.7 | Confident | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 128.5 | 170.7 | -83.2 | 159.4 | 0 | 0 | 0 | 109.5 | W4 W109 L110 V113 P114 L182 Q183 | W4-L198 HydrophobicContact CE3-CB 4.18Å; W4-L198 VanDerWaalsContact CE3-O 3.29Å; W4-L198 HydrophobicContact CH2-CB 3.53Å; W4-L198 HydrophobicContact CH2-CD1 3.96Å; W4-L198 HydrophobicContact CH2-CG 4.39Å; W4-L198 HydrophobicContact CZ2-CB 4.22Å; W4-L198 HydrophobicContact CZ2-CD1 4.18Å; W4-L198 HydrophobicContact CZ3-CB 3.5Å; W4-L198 VanDerWaalsContact CZ3-CB 3.5Å; W4-L198 WeakPolarHBondContact CZ3-O 3.47Å; W109-L198 HydrophobicContact CZ3-CD1 4.07Å; L110-L198 HydrophobicContact CB-CD1 4.49Å; L110-L198 HydrophobicContact CD2-CB 4.33Å; L110-L198 HydrophobicContact CD2-CD1 3.61Å; L110-L198 HydrophobicContact CD2-CG 3.79Å; V113-L198 HydrophobicContact CG1-CD1 3.24Å; P114-L198 HydrophobicContact CG-CD2 3.79Å; L182-L198 HydrophobicContact CB-CD2 3.97Å; Q183-L198 WeakPolarHBondContact O-CA 3.28Å |
| 199 | Q | 88.3 | Confident | 85.1 | Confident | 54 Ų | 54 | 56.6 Ų | 56.6 | 25% | 0.252 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 155.5 | 173.3 | -62.8 | -169.4 | 3.7 | 0 | 0 | 111 | L182 Q183 V185 E197 T201 R205 | L182-Q199 WeakPolarHBondContact CA-O 3.21Å; Q183-Q199 HydrophobicContact CG-CB 4.45Å; Q183-Q199 WeakPolarHBondContact CG-O 3.28Å; Q183-Q199 PolarHBondContact N-O 2.91Å; Q183-Q199 PolarHBondContact O-N 2.93Å; V185-Q199 HydrophobicContact CB-CG 4.42Å; V185-Q199 HydrophobicContact CG2-CB 4.07Å; V185-Q199 HydrophobicContact CG2-CG 3.94Å; E197-Q199 HydrophobicContact CG-CG 4.08Å; E197-Q199 PolarHBondContact OE1-NE2 3.23Å; Q199-T201 PolarHBondContact O-N 3.5Å; Q199-R205 VanDerWaalsContact OE1-NH2 3.14Å |
| 200 | L | 86.2 | Confident | 84.1 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 134.6 | 166.5 | -74.1 | 97.1 | 0 | 0 | 0 | 110.2 | W4 D181 A204 R205 | W4-L200 VanDerWaalsContact C-CD1 3.45Å; W4-L200 HydrophobicContact CB-CD1 3.51Å; W4-L200 HydrophobicContact CB-CG 4.39Å; W4-L200 WeakPolarHBondContact O-CD1 3.38Å; D181-L200 WeakPolarHBondContact O-CA 3.42Å; L200-A204 HydrophobicContact CB-CB 4.24Å; L200-A204 HydrophobicContact CD2-CB 3.98Å; L200-R205 HydrophobicContact CB-CG 3.97Å; L200-R205 PolarHBondContact O-NE 2.92Å; L200-R205 PolarHBondContact O-NH2 3.32Å |
| 201 | T | 87.3 | Confident | 82.8 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | trans | -63.8 | 159.4 | 171.6 | 59.4 | 0 | 0 | 0 | 0 | 111.7 | W180 D181 Q183 Q199 L203 A204 R205 | W180-T201 WeakPolarHBondContact O-CB 3.47Å; W180-T201 WeakPolarHBondContact O-CG2 3.29Å; W180-T201 PolarHBondContact O-OG1 3.24Å; D181-T201 PolarHBondContact O-N 2.88Å; D181-T201 VanDerWaalsContact O-N 3.13Å; Q183-T201 HydrophobicContact CB-CG2 3.79Å; Q183-T201 HydrophobicContact CG-CG2 3.9Å; Q199-T201 PolarHBondContact O-N 3.5Å; T201-L203 PolarHBondContact O-N 3.02Å; T201-A204 PolarHBondContact O-N 2.98Å; T201-A204 WeakPolarHBondContact OG1-CB 3.11Å; T201-A204 PolarHBondContact OG1-N 3.5Å; T201-R205 WeakPolarHBondContact O-CG 3.3Å; T201-R205 PolarHBondContact O-N 3.43Å | ||
| 202 | E | 85.3 | Confident | 81.7 | Confident | 170 Ų | 170 | 56 Ų | 56 | 79% | 0.794 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -56 | -36.1 | 173.7 | -65.7 | -172.2 | 167.5 | 0 | 0 | 112.2 | R205 N206 | E202-R205 PolarHBondContact O-N 3.41Å; E202-N206 PolarHBondContact O-N 3.39Å; E202-N206 VanDerWaalsContact O-N 3.13Å |
| 203 | L | 81.5 | Confident | 80.2 | Confident | 80 Ų | 80 | 55.8 Ų | 55.8 | 42% | 0.419 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.4 | -50.1 | 174.6 | -175.3 | 63.6 | 0 | 0 | 0 | 110.8 | T201 R205 N206 Y209 | T201-L203 PolarHBondContact O-N 3.02Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 2.71Å; L203-N206 WeakPolarHBondContact O-CB 3.09Å; L203-N206 PolarHBondContact O-N 2.85Å; L203-N206 VanDerWaalsContact O-N 3.13Å; L203-Y209 HydrophobicContact CD1-CD2 3.57Å; L203-Y209 HydrophobicContact CD1-CE2 4.06Å; L203-Y209 HydrophobicContact CD1-CG 3.9Å; L203-Y209 HydrophobicContact CD2-CD2 4.2Å; L203-Y209 HydrophobicContact CD2-CE2 3.8Å; L203-Y209 HydrophobicContact CG-CD1 4.22Å; L203-Y209 HydrophobicContact CG-CD2 3.68Å; L203-Y209 HydrophobicContact CG-CE1 4.26Å; L203-Y209 HydrophobicContact CG-CE2 3.74Å; L203-Y209 HydrophobicContact CG-CG 3.92Å; L203-Y209 VanDerWaalsContact O-CB 3.26Å; L203-Y209 WeakPolarHBondContact O-CB 2.99Å; L203-Y209 WeakPolarHBondContact O-CD1 3.28Å; L203-Y209 VanDerWaalsContact O-CG 3.32Å |
| 204 | A | 79 | Confident | 78.5 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.8 | -25.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D181 L200 T201 N206 Q210 | D181-A204 HydrophobicContact CB-CB 4.16Å; D181-A204 WeakPolarHBondContact O-CB 3.48Å; L200-A204 HydrophobicContact CB-CB 4.24Å; L200-A204 HydrophobicContact CD2-CB 3.98Å; T201-A204 PolarHBondContact O-N 2.98Å; T201-A204 WeakPolarHBondContact OG1-CB 3.11Å; T201-A204 PolarHBondContact OG1-N 3.5Å; A204-N206 VanDerWaalsContact C-N 3.34Å; A204-Q210 WeakPolarHBondContact O-CG 3.26Å; A204-Q210 PolarHBondContact O-NE2 2.98Å |
| 205 | R | 78.5 | Confident | 76.7 | Confident | 117 Ų | 117 | 62.2 Ų | 62.2 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -75.5 | -22.3 | 172.6 | -68.7 | -179.1 | -163.7 | -165.7 | 2.2 | 112.9 | Q199 L200 T201 E202 L203 P207 | Q199-R205 VanDerWaalsContact OE1-NH2 3.14Å; L200-R205 HydrophobicContact CB-CG 3.97Å; L200-R205 PolarHBondContact O-NE 2.92Å; L200-R205 PolarHBondContact O-NH2 3.32Å; T201-R205 WeakPolarHBondContact O-CG 3.3Å; T201-R205 PolarHBondContact O-N 3.43Å; E202-R205 PolarHBondContact O-N 3.41Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 2.71Å; R205-P207 WeakPolarHBondContact O-CD 3.44Å |
| 206 | N | 78.8 | Confident | 74.9 | Confident | 70 Ų | 70 | 69.2 Ų | 69.2 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | trans | -67.2 | 119.8 | -176.8 | -171.9 | -32 | 0 | 0 | 0 | 110.6 | E202 L203 A204 L208 Y209 Q210 | E202-N206 PolarHBondContact O-N 3.39Å; E202-N206 VanDerWaalsContact O-N 3.13Å; L203-N206 WeakPolarHBondContact O-CB 3.09Å; L203-N206 PolarHBondContact O-N 2.85Å; L203-N206 VanDerWaalsContact O-N 3.13Å; A204-N206 VanDerWaalsContact C-N 3.34Å; N206-L208 PolarHBondContact O-N 2.77Å; N206-L208 WeakPolarHBondContact OD1-CB 3.26Å; N206-L208 PolarHBondContact OD1-N 3.47Å; N206-Y209 WeakPolarHBondContact O-CB 3.07Å; N206-Y209 PolarHBondContact O-N 2.84Å; N206-Q210 PolarHBondContact O-N 3.39Å | ||
| 207 | P | 74.8 | Confident | 73 | Confident | 85 Ų | 85 | 70.5 Ų | 70.5 | 55% | 0.552 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.6 | -27.7 | -178.1 | 26.5 | -35.1 | 0 | 0 | 0 | 112.6 | R205 K211 | R205-P207 WeakPolarHBondContact O-CD 3.44Å; P207-K211 WeakPolarHBondContact O-CB 3.36Å; P207-K211 WeakPolarHBondContact O-CG 3.41Å; P207-K211 PolarHBondContact O-N 3.27Å |
| 208 | L | 72.3 | Confident | 71.1 | Confident | 116 Ų | 116 | 69 Ų | 69 | 61% | 0.607 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.4 | -42.6 | 171.6 | -80.1 | 163.2 | 0 | 0 | 0 | 110.6 | N206 K211 F212 | N206-L208 PolarHBondContact O-N 2.77Å; N206-L208 WeakPolarHBondContact OD1-CB 3.26Å; N206-L208 PolarHBondContact OD1-N 3.47Å; L208-K211 PolarHBondContact O-N 3.05Å; L208-F212 VanDerWaalsContact O-CB 3.26Å; L208-F212 WeakPolarHBondContact O-CB 3.32Å; L208-F212 PolarHBondContact O-N 3.38Å |
| 209 | Y | 73.1 | Confident | 69.1 | Low | 30 Ų | 30 | 74.7 Ų | 74.7 | 12% | 0.118 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 175.5 | 172.5 | -97 | 0 | 0 | 0 | 111.3 | I177 D181 L203 N206 K211 F212 Y213 | I177-Y209 HydrophobicContact CG2-CE2 4.03Å; I177-Y209 WeakPolarHBondContact CG2-OH 3.21Å; D181-Y209 PolarHBondContact OD1-OH 3.47Å; L203-Y209 HydrophobicContact CD1-CD2 3.57Å; L203-Y209 HydrophobicContact CD1-CE2 4.06Å; L203-Y209 HydrophobicContact CD1-CG 3.9Å; L203-Y209 HydrophobicContact CD2-CD2 4.2Å; L203-Y209 HydrophobicContact CD2-CE2 3.8Å; L203-Y209 HydrophobicContact CG-CD1 4.22Å; L203-Y209 HydrophobicContact CG-CD2 3.68Å; L203-Y209 HydrophobicContact CG-CE1 4.26Å; L203-Y209 HydrophobicContact CG-CE2 3.74Å; L203-Y209 HydrophobicContact CG-CG 3.92Å; L203-Y209 VanDerWaalsContact O-CB 3.26Å; L203-Y209 WeakPolarHBondContact O-CB 2.99Å; L203-Y209 WeakPolarHBondContact O-CD1 3.28Å; L203-Y209 VanDerWaalsContact O-CG 3.32Å; N206-Y209 WeakPolarHBondContact O-CB 3.07Å; N206-Y209 PolarHBondContact O-N 2.84Å; Y209-K211 VanDerWaalsContact C-N 3.33Å; Y209-K211 PolarHBondContact O-N 3.12Å; Y209-F212 PolarHBondContact O-N 3.27Å; Y209-Y213 WeakPolarHBondContact O-CA 3.41Å; Y209-Y213 WeakPolarHBondContact O-CB 3.45Å; Y209-Y213 PolarHBondContact O-N 3.47Å |
| 210 | Q | 67.5 | Low | 67.4 | Low | 52 Ų | 52 | 78.6 Ų | 78.6 | 24% | 0.243 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 176.8 | -70.9 | -177.7 | -4.8 | 0 | 0 | 111.6 | A204 N206 Q214 | A204-Q210 WeakPolarHBondContact O-CG 3.26Å; A204-Q210 PolarHBondContact O-NE2 2.98Å; N206-Q210 PolarHBondContact O-N 3.39Å; Q210-Q214 VanDerWaalsContact O-CB 3.29Å; Q210-Q214 WeakPolarHBondContact O-CB 3.33Å; Q210-Q214 WeakPolarHBondContact O-CG 2.95Å; Q210-Q214 PolarHBondContact O-N 3.41Å |
| 211 | K | 64 | Low | 65.7 | Low | 134 Ų | 134 | 81.4 Ų | 81.4 | 58% | 0.583 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62 | -55.4 | 174.6 | -77.5 | -177.7 | 179.4 | -177.4 | 0 | 110.9 | P207 L208 Y209 Y213 Q214 L215 | P207-K211 WeakPolarHBondContact O-CB 3.36Å; P207-K211 WeakPolarHBondContact O-CG 3.41Å; P207-K211 PolarHBondContact O-N 3.27Å; L208-K211 PolarHBondContact O-N 3.05Å; Y209-K211 VanDerWaalsContact C-N 3.33Å; Y209-K211 PolarHBondContact O-N 3.12Å; K211-Y213 PolarHBondContact O-N 3.38Å; K211-Q214 CarbonylContact O-C 3.15Å; K211-Q214 PolarHBondContact O-N 2.98Å; K211-L215 HydrophobicContact CB-CD1 4.03Å; K211-L215 WeakPolarHBondContact O-CB 3.01Å; K211-L215 WeakPolarHBondContact O-CD1 3.28Å; K211-L215 WeakPolarHBondContact O-CG 3.46Å; K211-L215 PolarHBondContact O-N 3.37Å |
| 212 | F | 63.9 | Low | 63.8 | Low | 92 Ų | 92 | 83.1 Ų | 83.1 | 40% | 0.404 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.3 | -47.2 | -179.3 | -107.2 | -83.2 | 0 | 0 | 0 | 111.5 | L208 Y209 Q214 L215 W216 | L208-F212 VanDerWaalsContact O-CB 3.26Å; L208-F212 WeakPolarHBondContact O-CB 3.32Å; L208-F212 PolarHBondContact O-N 3.38Å; Y209-F212 PolarHBondContact O-N 3.27Å; F212-Q214 PolarHBondContact O-N 3.14Å; F212-L215 CarbonylContact O-C 3.52Å; F212-L215 VanDerWaalsContact O-CA 3.28Å; F212-L215 WeakPolarHBondContact O-CA 3.45Å; F212-L215 PolarHBondContact O-N 3.23Å; F212-W216 HydrophobicContact CD1-CD2 4.13Å; F212-W216 AromaticContact CD1-CE2 3.6Å; F212-W216 HydrophobicContact CD1-CG 4.39Å; F212-W216 AromaticContact CD1-CZ2 3.93Å; F212-W216 HydrophobicContact CD1-CZ2 3.93Å; F212-W216 AromaticContact CD1-NE1 3.59Å; F212-W216 HydrophobicContact CE1-CZ2 4.36Å; F212-W216 AromaticContact CG-NE1 3.97Å; F212-W216 WeakPolarHBondContact O-CA 3.23Å; F212-W216 PolarHBondContact O-N 3.04Å |
| 213 | Y | 59.5 | Low | 62.2 | Low | 19 Ų | 19 | 79.5 Ų | 79.5 | 8% | 0.075 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 177.5 | -170.9 | -105.9 | 0 | 0 | 0 | 113.2 | F174 I177 Y209 K211 L215 | F174-Y213 PolarHBondContact O-OH 2.89Å; I177-Y213 HydrophobicContact CB-CE2 4.03Å; Y209-Y213 WeakPolarHBondContact O-CA 3.41Å; Y209-Y213 WeakPolarHBondContact O-CB 3.45Å; Y209-Y213 PolarHBondContact O-N 3.47Å; K211-Y213 PolarHBondContact O-N 3.38Å; Y213-L215 VanDerWaalsContact C-N 3.27Å; Y213-L215 PolarHBondContact O-N 3.36Å |
| 214 | Q | 56.1 | Low | 60.6 | Low | 111 Ų | 111 | 79.8 Ų | 79.8 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.3 | -24.4 | 169.1 | -69.1 | 174.7 | 0.7 | 0 | 0 | 112.5 | Q210 K211 F212 | Q210-Q214 VanDerWaalsContact O-CB 3.29Å; Q210-Q214 WeakPolarHBondContact O-CB 3.33Å; Q210-Q214 WeakPolarHBondContact O-CG 2.95Å; Q210-Q214 PolarHBondContact O-N 3.41Å; K211-Q214 CarbonylContact O-C 3.15Å; K211-Q214 PolarHBondContact O-N 2.98Å; F212-Q214 PolarHBondContact O-N 3.14Å |
| 215 | L | 50.7 | Low | 59.2 | Low | 60 Ų | 60 | 84.5 Ų | 84.5 | 31% | 0.314 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -106.2 | -2.4 | -173.8 | -67 | 165.1 | 0 | 0 | 0 | 115.6 | K211 F212 Y213 L217 V218 | K211-L215 HydrophobicContact CB-CD1 4.03Å; K211-L215 WeakPolarHBondContact O-CB 3.01Å; K211-L215 WeakPolarHBondContact O-CD1 3.28Å; K211-L215 WeakPolarHBondContact O-CG 3.46Å; K211-L215 PolarHBondContact O-N 3.37Å; F212-L215 CarbonylContact O-C 3.52Å; F212-L215 VanDerWaalsContact O-CA 3.28Å; F212-L215 WeakPolarHBondContact O-CA 3.45Å; F212-L215 PolarHBondContact O-N 3.23Å; Y213-L215 VanDerWaalsContact C-N 3.27Å; Y213-L215 PolarHBondContact O-N 3.36Å; L215-L217 PolarHBondContact O-N 3.08Å; L215-V218 HydrophobicContact CB-CB 4.31Å; L215-V218 HydrophobicContact CB-CG2 4.44Å; L215-V218 HydrophobicContact CD2-CB 4.01Å; L215-V218 HydrophobicContact CD2-CG1 4.11Å; L215-V218 HydrophobicContact CD2-CG2 3.64Å; L215-V218 WeakPolarHBondContact O-CA 3.39Å; L215-V218 VanDerWaalsContact O-CB 3.24Å; L215-V218 WeakPolarHBondContact O-CB 3.43Å; L215-V218 PolarHBondContact O-N 3.34Å |
| 216 | W | 54.2 | Low | 57.9 | Low | 168 Ų | 168 | 83 Ų | 83 | 64% | 0.636 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -8.6 | -168.2 | -92.4 | 101.3 | 0 | 0 | 0 | 113.6 | F212 | F212-W216 HydrophobicContact CD1-CD2 4.13Å; F212-W216 AromaticContact CD1-CE2 3.6Å; F212-W216 HydrophobicContact CD1-CG 4.39Å; F212-W216 AromaticContact CD1-CZ2 3.93Å; F212-W216 HydrophobicContact CD1-CZ2 3.93Å; F212-W216 AromaticContact CD1-NE1 3.59Å; F212-W216 HydrophobicContact CE1-CZ2 4.36Å; F212-W216 AromaticContact CG-NE1 3.97Å; F212-W216 WeakPolarHBondContact O-CA 3.23Å; F212-W216 PolarHBondContact O-N 3.04Å |
| 217 | L | 50.3 | Low | 56.6 | Low | 41 Ų | 41 | 90.9 Ų | 90.9 | 22% | 0.215 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -8.3 | 166.7 | -92.1 | 171.1 | 0 | 0 | 0 | 115.5 | F170 F174 L215 H219 V221 | F170-L217 HydrophobicContact CE2-CD1 4.01Å; F170-L217 HydrophobicContact CZ-CD1 3.69Å; F174-L217 HydrophobicContact CD2-CD1 3.76Å; F174-L217 HydrophobicContact CD2-CG 4.36Å; F174-L217 HydrophobicContact CE2-CB 4.36Å; F174-L217 HydrophobicContact CE2-CD1 3.48Å; F174-L217 VanDerWaalsContact CE2-CD1 3.48Å; F174-L217 HydrophobicContact CE2-CG 3.97Å; F174-L217 HydrophobicContact CZ-CD1 4.33Å; L215-L217 PolarHBondContact O-N 3.08Å; L217-H219 VanDerWaalsContact C-N 3.31Å; L217-V221 PolarHBondContact O-N 3.42Å |
| 218 | V | 51.2 | Low | 55.5 | Low | 18 Ų | 18 | 93.1 Ų | 93.1 | 11% | 0.109 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -65 | -36.9 | 170.8 | 164.6 | 0 | 0 | 0 | 0 | 109.5 | L215 I220 V221 Q222 V242 | L215-V218 HydrophobicContact CB-CB 4.31Å; L215-V218 HydrophobicContact CB-CG2 4.44Å; L215-V218 HydrophobicContact CD2-CB 4.01Å; L215-V218 HydrophobicContact CD2-CG1 4.11Å; L215-V218 HydrophobicContact CD2-CG2 3.64Å; L215-V218 WeakPolarHBondContact O-CA 3.39Å; L215-V218 VanDerWaalsContact O-CB 3.24Å; L215-V218 WeakPolarHBondContact O-CB 3.43Å; L215-V218 PolarHBondContact O-N 3.34Å; V218-I220 VanDerWaalsContact C-N 3.3Å; V218-I220 PolarHBondContact O-N 3.25Å; V218-I220 VanDerWaalsContact O-N 3.12Å; V218-V221 PolarHBondContact O-N 3.29Å; V218-Q222 HydrophobicContact CB-CB 4.08Å; V218-Q222 HydrophobicContact CG1-CB 3.32Å; V218-Q222 HydrophobicContact CG1-CG 3.62Å; V218-Q222 WeakPolarHBondContact O-CA 3.32Å; V218-Q222 WeakPolarHBondContact O-CB 3.29Å; V218-Q222 PolarHBondContact O-N 3.35Å; V218-V242 HydrophobicContact CG2-CG2 3.9Å |
| 219 | H | 48.2 | Very low | 54.4 | Low | 127 Ų | 127 | 91.8 Ų | 91.8 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -69.6 | -17.4 | -174.8 | -94.2 | -90.7 | 0 | 0 | 0 | 116.4 | L217 V223 | L217-H219 VanDerWaalsContact C-N 3.31Å; H219-V223 WeakPolarHBondContact O-CB 3.5Å; H219-V223 WeakPolarHBondContact O-CG2 3.48Å |
| 220 | I | 53.7 | Low | 53.3 | Low | 136 Ų | 136 | 97.8 Ų | 97.8 | 70% | 0.697 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -101 | -38.1 | 173.9 | -65.7 | 178.8 | 0 | 0 | 0 | 111.7 | V218 S224 | V218-I220 VanDerWaalsContact C-N 3.3Å; V218-I220 PolarHBondContact O-N 3.25Å; V218-I220 VanDerWaalsContact O-N 3.12Å; I220-S224 PolarHBondContact O-OG 3.03Å; I220-S224 VanDerWaalsContact O-OG 3.06Å |
| 221 | V | 49.7 | Very low | 52.6 | Low | 64 Ų | 64 | 105.2 Ų | 105.2 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -89.3 | -34.8 | -178.1 | -180 | 0 | 0 | 0 | 0 | 112.4 | L217 V218 S224 M225 | L217-V221 PolarHBondContact O-N 3.42Å; V218-V221 PolarHBondContact O-N 3.29Å; V221-S224 PolarHBondContact O-N 3.38Å; V221-S224 PolarHBondContact O-OG 3.08Å; V221-M225 HydrophobicContact CG1-CG 4.35Å; V221-M225 WeakPolarHBondContact O-CB 3.41Å; V221-M225 WeakPolarHBondContact O-CG 3.34Å; V221-M225 PolarHBondContact O-N 3.39Å |
| 222 | Q | 46.5 | Very low | 52 | Low | 54 Ų | 54 | 105.7 Ų | 105.7 | 25% | 0.252 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.5 | -32 | 174.7 | -152.3 | 105.3 | -10.5 | 0 | 0 | 111.6 | V218 S224 M225 N226 | V218-Q222 HydrophobicContact CB-CB 4.08Å; V218-Q222 HydrophobicContact CG1-CB 3.32Å; V218-Q222 HydrophobicContact CG1-CG 3.62Å; V218-Q222 WeakPolarHBondContact O-CA 3.32Å; V218-Q222 WeakPolarHBondContact O-CB 3.29Å; V218-Q222 PolarHBondContact O-N 3.35Å; Q222-S224 PolarHBondContact O-N 3.38Å; Q222-M225 PolarHBondContact O-N 3.45Å; Q222-N226 WeakPolarHBondContact CG-ND2 3.46Å; Q222-N226 WeakPolarHBondContact O-CA 3.22Å; Q222-N226 WeakPolarHBondContact O-CB 3.09Å; Q222-N226 PolarHBondContact O-N 2.83Å |
| 223 | V | 51.7 | Low | 51.2 | Low | 95 Ų | 95 | 109.2 Ų | 109.2 | 58% | 0.576 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.2 | -29.2 | 174.5 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | H219 | H219-V223 WeakPolarHBondContact O-CB 3.5Å; H219-V223 WeakPolarHBondContact O-CG2 3.48Å |
| 224 | S | 49.9 | Very low | 50.7 | Low | 86 Ų | 86 | 113.8 Ų | 113.8 | 60% | 0.601 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -85.1 | -33 | 173.2 | 39.9 | 0 | 0 | 0 | 0 | 113.3 | I220 V221 Q222 | I220-S224 PolarHBondContact O-OG 3.03Å; I220-S224 VanDerWaalsContact O-OG 3.06Å; V221-S224 PolarHBondContact O-N 3.38Å; V221-S224 PolarHBondContact O-OG 3.08Å; Q222-S224 PolarHBondContact O-N 3.38Å |
| 225 | M | 47.7 | Very low | 50.3 | Low | 100 Ų | 100 | 111.5 Ų | 111.5 | 49% | 0.493 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -89.5 | -23.5 | 179.8 | -68.3 | -139.9 | 107.8 | 0 | 0 | 116 | V221 Q222 R227 L228 F229 | V221-M225 HydrophobicContact CG1-CG 4.35Å; V221-M225 WeakPolarHBondContact O-CB 3.41Å; V221-M225 WeakPolarHBondContact O-CG 3.34Å; V221-M225 PolarHBondContact O-N 3.39Å; Q222-M225 PolarHBondContact O-N 3.45Å; M225-R227 PolarHBondContact O-N 3.09Å; M225-L228 PolarHBondContact O-N 3.39Å; M225-L228 VanDerWaalsContact O-N 3.07Å; M225-F229 PolarHBondContact O-N 2.95Å |
| 226 | N | 51.3 | Low | 50.1 | Low | 85 Ų | 85 | 118.2 Ų | 118.2 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.6 | -22.7 | -179.3 | -110.9 | -30.6 | 0 | 0 | 0 | 113.1 | Q222 L228 H230 | Q222-N226 WeakPolarHBondContact CG-ND2 3.46Å; Q222-N226 WeakPolarHBondContact O-CA 3.22Å; Q222-N226 WeakPolarHBondContact O-CB 3.09Å; Q222-N226 PolarHBondContact O-N 2.83Å; N226-L228 PolarHBondContact O-N 3.46Å; N226-H230 PolarHBondContact O-N 3.22Å |
| 227 | R | 51.9 | Low | 49.8 | Very low | 236 Ų | 236 | 113.5 Ų | 113.5 | 89% | 0.891 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.8 | -21.2 | 174.7 | -74.1 | -166.1 | -158 | -140.6 | 4.4 | 113.3 | M225 | M225-R227 PolarHBondContact O-N 3.09Å |
| 228 | L | 51.7 | Low | 49.8 | Very low | 132 Ų | 132 | 115.7 Ų | 115.7 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -97.3 | -31.6 | 178.9 | -161.1 | 71 | 0 | 0 | 0 | 112.4 | M225 N226 | M225-L228 PolarHBondContact O-N 3.39Å; M225-L228 VanDerWaalsContact O-N 3.07Å; N226-L228 PolarHBondContact O-N 3.46Å |
| 229 | F | 49.2 | Very low | 49.9 | Very low | 88 Ų | 88 | 118.9 Ų | 118.9 | 39% | 0.386 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -87.5 | -15.3 | -172.9 | -103.2 | -105.9 | 0 | 0 | 0 | 115.6 | M225 Y231 F232 I235 L238 | M225-F229 PolarHBondContact O-N 2.95Å; F229-Y231 PolarHBondContact O-N 3.36Å; F229-Y231 VanDerWaalsContact O-N 3.12Å; F229-F232 PolarHBondContact O-N 3.09Å; F229-I235 HydrophobicContact CD1-CD1 3.58Å; F229-I235 HydrophobicContact CD1-CG2 4.2Å; F229-I235 HydrophobicContact CE1-CD1 3.3Å; F229-I235 HydrophobicContact CE1-CG2 4.31Å; F229-I235 HydrophobicContact CZ-CD1 4.44Å; F229-L238 HydrophobicContact CE1-CD2 3.93Å; F229-L238 HydrophobicContact CZ-CD2 4.32Å |
| 230 | H | 51.3 | Low | 50.3 | Low | 155 Ų | 155 | 113.4 Ų | 113.4 | 72% | 0.718 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -20.7 | 176.4 | -152.9 | 128.9 | 0 | 0 | 0 | 112.7 | N226 F232 | N226-H230 PolarHBondContact O-N 3.22Å; H230-F232 PolarHBondContact O-N 3.3Å |
| 231 | Y | 52 | Low | 50.5 | Low | 208 Ų | 208 | 107.9 Ų | 107.9 | 82% | 0.816 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -20.6 | -178.6 | -157.1 | -97.8 | 0 | 0 | 0 | 113.9 | F229 | F229-Y231 PolarHBondContact O-N 3.36Å; F229-Y231 VanDerWaalsContact O-N 3.12Å |
| 232 | F | 50.4 | Low | 51 | Low | 145 Ų | 145 | 106.4 Ų | 106.4 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | trans | -103.8 | 93.1 | 178.4 | -85.2 | -87 | 0 | 0 | 0 | 111 | F229 H230 C234 I235 | F229-F232 PolarHBondContact O-N 3.09Å; H230-F232 PolarHBondContact O-N 3.3Å; F232-C234 PolarHBondContact O-N 3.25Å; F232-I235 HydrophobicContact CB-CD1 4.16Å | ||
| 233 | N | 48.3 | Very low | 51.9 | Low | 166 Ų | 166 | 106.3 Ų | 106.3 | 89% | 0.888 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 20.8 | 177.8 | -97 | -35.7 | 0 | 0 | 0 | 116.2 | ||
| 234 | C | 47.8 | Very low | 52.8 | Low | 114 Ų | 114 | 102.2 Ų | 102.2 | 77% | 0.77 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | 10.7 | -177 | -133.3 | 0 | 0 | 0 | 0 | 114.1 | F232 | F232-C234 PolarHBondContact O-N 3.25Š|
| 235 | I | 48.6 | Very low | 54 | Low | 63 Ų | 63 | 100 Ų | 100 | 32% | 0.323 | 49% | 0.49 | S | S | . | . | trans | -121.9 | 63.1 | -164.3 | -62.3 | 171.2 | 0 | 0 | 0 | 110.6 | F229 F232 A237 L238 | F229-I235 HydrophobicContact CD1-CD1 3.58Å; F229-I235 HydrophobicContact CD1-CG2 4.2Å; F229-I235 HydrophobicContact CE1-CD1 3.3Å; F229-I235 HydrophobicContact CE1-CG2 4.31Å; F229-I235 HydrophobicContact CZ-CD1 4.44Å; F232-I235 HydrophobicContact CB-CD1 4.16Å; I235-A237 VanDerWaalsContact C-N 3.26Å; I235-L238 HydrophobicContact CB-CD1 4.33Å; I235-L238 HydrophobicContact CD1-CD1 4.26Å; I235-L238 HydrophobicContact CG1-CD1 4.01Å; I235-L238 HydrophobicContact CG2-CB 3.35Å; I235-L238 HydrophobicContact CG2-CD1 3.46Å; I235-L238 VanDerWaalsContact CG2-CD1 3.46Å; I235-L238 HydrophobicContact CG2-CD2 4.3Å; I235-L238 HydrophobicContact CG2-CG 3.84Å | ||
| 236 | K | 46.7 | Very low | 55.5 | Low | 201 Ų | 201 | 98 Ų | 98 | 87% | 0.874 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -87 | -1.5 | 149.9 | -74.6 | -163.3 | 176.5 | -175.8 | 0 | 112.1 | ||
| 237 | A | 47.9 | Very low | 56.9 | Low | 69 Ų | 69 | 94 Ų | 94 | 57% | 0.57 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -96.2 | -4.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I235 | I235-A237 VanDerWaalsContact C-N 3.26Š|
| 238 | L | 50.5 | Low | 58.4 | Low | 88 Ų | 88 | 83.8 Ų | 83.8 | 46% | 0.461 | 43% | 0.425 | S | S | . | . | trans | -102.1 | 40.6 | 174 | -79 | 78.1 | 0 | 0 | 0 | 113.8 | F229 I235 P240 | F229-L238 HydrophobicContact CE1-CD2 3.93Å; F229-L238 HydrophobicContact CZ-CD2 4.32Å; I235-L238 HydrophobicContact CB-CD1 4.33Å; I235-L238 HydrophobicContact CD1-CD1 4.26Å; I235-L238 HydrophobicContact CG1-CD1 4.01Å; I235-L238 HydrophobicContact CG2-CB 3.35Å; I235-L238 HydrophobicContact CG2-CD1 3.46Å; I235-L238 VanDerWaalsContact CG2-CD1 3.46Å; I235-L238 HydrophobicContact CG2-CD2 4.3Å; I235-L238 HydrophobicContact CG2-CG 3.84Å; L238-P240 VanDerWaalsContact O-CD 3.32Å; L238-P240 WeakPolarHBondContact O-CD 3.4Å | ||
| 239 | D | 53.9 | Low | 59.9 | Low | 85 Ų | 85 | 82.4 Ų | 82.4 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | trans | -93.9 | 25.5 | 157.1 | -76 | -22.2 | 0 | 0 | 0 | 114.2 | H313 | D239-H313 VanDerWaalsContact CB-NE2 3.32Å; D239-H313 WeakPolarHBondContact CB-NE2 3.45Å; D239-H313 PolarHBondContact O-CE1 2.94Å | ||
| 240 | P | 55.2 | Low | 61.6 | Low | 12 Ų | 12 | 80.5 Ų | 80.5 | 8% | 0.078 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -73.1 | 152.2 | 176.6 | 34.8 | -34.4 | 0 | 0 | 0 | 109.2 | L238 V242 F245 I310 | L238-P240 VanDerWaalsContact O-CD 3.32Å; L238-P240 WeakPolarHBondContact O-CD 3.4Å; P240-V242 PolarHBondContact O-N 2.84Å; P240-F245 HydrophobicContact CB-CD2 3.55Å; P240-F245 HydrophobicContact CB-CE1 4.24Å; P240-F245 HydrophobicContact CB-CE2 3.11Å; P240-F245 HydrophobicContact CB-CG 4.29Å; P240-F245 HydrophobicContact CB-CZ 3.5Å; P240-F245 VanDerWaalsContact CB-CZ 3.5Å; P240-F245 HydrophobicContact CG-CD1 3.69Å; P240-F245 HydrophobicContact CG-CD2 3.51Å; P240-F245 HydrophobicContact CG-CE1 3.41Å; P240-F245 VanDerWaalsContact CG-CE1 3.41Å; P240-F245 HydrophobicContact CG-CE2 3.24Å; P240-F245 HydrophobicContact CG-CG 3.75Å; P240-F245 HydrophobicContact CG-CZ 3.16Å; P240-I310 HydrophobicContact CB-CG1 4.23Å |
| 241 | P | 58.2 | Low | 63.3 | Low | 20 Ų | 20 | 73.1 Ų | 73.1 | 13% | 0.13 | 38% | 0.375 | C | S | . | . | trans | -67.3 | 116.6 | -166.3 | 29.1 | -36.8 | 0 | 0 | 0 | 109.9 | Q243 V244 T309 | P241-Q243 HydrophobicContact CB-CG 3.71Å; P241-Q243 HydrophobicContact CG-CG 4.3Å; P241-Q243 PolarHBondContact O-N 3.19Å; P241-V244 PolarHBondContact O-N 3.17Å; P241-T309 HydrophobicContact CB-CG2 4.44Å; P241-T309 VanDerWaalsContact CD-CG2 3.42Å; P241-T309 HydrophobicContact CG-CG2 2.97Å | ||
| 242 | V | 61.4 | Low | 64.9 | Low | 33 Ų | 33 | 66 Ų | 66 | 20% | 0.2 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -40.9 | -34.5 | -178.2 | 178.1 | 0 | 0 | 0 | 0 | 112.5 | V218 P240 V244 F245 V246 | V218-V242 HydrophobicContact CG2-CG2 3.9Å; P240-V242 PolarHBondContact O-N 2.84Å; V242-V244 PolarHBondContact O-N 3.19Å; V242-F245 PolarHBondContact O-N 2.99Å; V242-V246 HydrophobicContact CB-CG2 4.46Å; V242-V246 HydrophobicContact CG1-CB 4.29Å; V242-V246 HydrophobicContact CG1-CG2 3.43Å; V242-V246 VanDerWaalsContact CG1-CG2 3.43Å; V242-V246 VanDerWaalsContact O-CB 3.3Å; V242-V246 WeakPolarHBondContact O-CB 3.4Å; V242-V246 WeakPolarHBondContact O-CG2 3.41Å; V242-V246 PolarHBondContact O-N 3.38Å |
| 243 | Q | 63.8 | Low | 66.7 | Low | 52 Ų | 52 | 63 Ų | 63 | 24% | 0.243 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -52.8 | -38.3 | 176.5 | 47.9 | 170.2 | 41.9 | 0 | 0 | 115.6 | F174 P241 P247 | F174-Q243 HydrophobicContact CE1-CB 4.3Å; P241-Q243 HydrophobicContact CB-CG 3.71Å; P241-Q243 HydrophobicContact CG-CG 4.3Å; P241-Q243 PolarHBondContact O-N 3.19Å; Q243-P247 WeakPolarHBondContact O-CD 3.43Å; Q243-P247 VanDerWaalsContact O-CG 3.28Å; Q243-P247 WeakPolarHBondContact O-CG 3.27Å |
| 244 | V | 71.1 | Confident | 68.4 | Low | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -95.3 | -40.5 | -179.3 | -169 | 0 | 0 | 0 | 0 | 109.7 | P241 V242 F248 L306 T309 | P241-V244 PolarHBondContact O-N 3.17Å; V242-V244 PolarHBondContact O-N 3.19Å; V244-F248 WeakPolarHBondContact O-CB 3.19Å; V244-F248 PolarHBondContact O-N 3.45Å; V244-L306 HydrophobicContact CB-CD1 4.16Å; V244-L306 HydrophobicContact CG1-CB 4.06Å; V244-L306 HydrophobicContact CG1-CD1 3.66Å; V244-T309 HydrophobicContact CG2-CG2 4.37Å |
| 245 | F | 75.5 | Confident | 70.3 | Confident | 38 Ų | 38 | 51.2 Ų | 51.2 | 17% | 0.167 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.6 | -52.4 | -176.3 | -88.7 | -107.6 | 0 | 0 | 0 | 113 | P240 V242 F248 F249 L306 I310 | P240-F245 HydrophobicContact CB-CD2 3.55Å; P240-F245 HydrophobicContact CB-CE1 4.24Å; P240-F245 HydrophobicContact CB-CE2 3.11Å; P240-F245 HydrophobicContact CB-CG 4.29Å; P240-F245 HydrophobicContact CB-CZ 3.5Å; P240-F245 VanDerWaalsContact CB-CZ 3.5Å; P240-F245 HydrophobicContact CG-CD1 3.69Å; P240-F245 HydrophobicContact CG-CD2 3.51Å; P240-F245 HydrophobicContact CG-CE1 3.41Å; P240-F245 VanDerWaalsContact CG-CE1 3.41Å; P240-F245 HydrophobicContact CG-CE2 3.24Å; P240-F245 HydrophobicContact CG-CG 3.75Å; P240-F245 HydrophobicContact CG-CZ 3.16Å; V242-F245 PolarHBondContact O-N 2.99Å; F245-F248 PolarHBondContact O-N 2.99Å; F245-F249 HydrophobicContact CB-CD2 4.36Å; F245-F249 AromaticContact CD1-CD2 3.86Å; F245-F249 HydrophobicContact CD1-CD2 3.86Å; F245-F249 AromaticContact CD1-CE2 3.37Å; F245-F249 HydrophobicContact CD1-CE2 3.37Å; F245-F249 HydrophobicContact CD1-CZ 4.45Å; F245-F249 AromaticContact CE1-CE2 3.67Å; F245-F249 HydrophobicContact CE1-CE2 3.67Å; F245-F249 HydrophobicContact CE1-CZ 4.41Å; F245-F249 HydrophobicContact CG-CD2 4.44Å; F245-F249 HydrophobicContact CG-CE2 4.2Å; F245-F249 VanDerWaalsContact O-CD2 3.28Å; F245-F249 WeakPolarHBondContact O-CD2 3.3Å; F245-F249 PolarHBondContact O-N 3.33Å; F245-L306 HydrophobicContact CD2-CD1 3.4Å; F245-L306 VanDerWaalsContact CD2-CD1 3.4Å; F245-L306 HydrophobicContact CE1-CD1 4.4Å; F245-L306 HydrophobicContact CE2-CD1 3.18Å; F245-L306 HydrophobicContact CE2-CG 4.1Å; F245-L306 HydrophobicContact CG-CD1 4.08Å; F245-L306 HydrophobicContact CZ-CD1 3.76Å; F245-L306 HydrophobicContact CZ-CG 4.38Å; F245-I310 HydrophobicContact CE2-CD1 3.93Å; F245-I310 HydrophobicContact CE2-CG1 3.59Å; F245-I310 HydrophobicContact CZ-CD1 3.48Å; F245-I310 VanDerWaalsContact CZ-CD1 3.48Å; F245-I310 HydrophobicContact CZ-CG1 3.51Å |
| 246 | V | 78.4 | Confident | 72.1 | Confident | 60 Ų | 60 | 53.4 Ų | 53.4 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59 | -50.7 | -174.3 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | V242 F248 T250 | V242-V246 HydrophobicContact CB-CG2 4.46Å; V242-V246 HydrophobicContact CG1-CB 4.29Å; V242-V246 HydrophobicContact CG1-CG2 3.43Å; V242-V246 VanDerWaalsContact CG1-CG2 3.43Å; V242-V246 VanDerWaalsContact O-CB 3.3Å; V242-V246 WeakPolarHBondContact O-CB 3.4Å; V242-V246 WeakPolarHBondContact O-CG2 3.41Å; V242-V246 PolarHBondContact O-N 3.38Å; V246-F248 PolarHBondContact O-N 3.18Å; V246-T250 WeakPolarHBondContact O-CB 3.23Å; V246-T250 PolarHBondContact O-N 3.4Å; V246-T250 PolarHBondContact O-OG1 2.83Å |
| 247 | P | 82.2 | Confident | 73.9 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 177.1 | -23.2 | 35.4 | 0 | 0 | 0 | 112.8 | T128 Y129 V132 Q243 L251 | T128-P247 HydrophobicContact CG2-CB 3.25Å; T128-P247 HydrophobicContact CG2-CG 3.54Å; Y129-P247 HydrophobicContact CE2-CG 4.33Å; V132-P247 HydrophobicContact CG2-CB 3.97Å; Q243-P247 WeakPolarHBondContact O-CD 3.43Å; Q243-P247 VanDerWaalsContact O-CG 3.28Å; Q243-P247 WeakPolarHBondContact O-CG 3.27Å; P247-L251 VanDerWaalsContact O-CB 3.24Å; P247-L251 WeakPolarHBondContact O-CB 3.23Å; P247-L251 WeakPolarHBondContact O-CG 3.48Å; P247-L251 PolarHBondContact O-N 2.95Å |
| 248 | F | 82.5 | Confident | 75.6 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 9% | 0.088 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.1 | -52.8 | -178 | -167.9 | -84.5 | 0 | 0 | 0 | 111.9 | V244 F245 V246 L251 I252 L299 L303 L306 | V244-F248 WeakPolarHBondContact O-CB 3.19Å; V244-F248 PolarHBondContact O-N 3.45Å; F245-F248 PolarHBondContact O-N 2.99Å; V246-F248 PolarHBondContact O-N 3.18Å; F248-L251 PolarHBondContact O-N 3.13Å; F248-I252 HydrophobicContact CD1-CD1 3.77Å; F248-I252 HydrophobicContact CE1-CD1 3.54Å; F248-I252 HydrophobicContact CZ-CD1 4.49Å; F248-I252 WeakPolarHBondContact O-CG1 3.29Å; F248-I252 PolarHBondContact O-N 2.86Å; F248-I252 VanDerWaalsContact O-N 3.17Å; F248-L299 HydrophobicContact CD1-CD2 3.97Å; F248-L299 HydrophobicContact CD2-CD2 3.54Å; F248-L299 HydrophobicContact CE1-CD2 3.99Å; F248-L299 HydrophobicContact CE2-CB 4.16Å; F248-L299 HydrophobicContact CE2-CD2 3.56Å; F248-L299 HydrophobicContact CE2-CG 4.48Å; F248-L299 WeakPolarHBondContact CE2-O 3.33Å; F248-L299 HydrophobicContact CG-CD2 3.74Å; F248-L299 HydrophobicContact CZ-CB 4.39Å; F248-L299 HydrophobicContact CZ-CD2 3.79Å; F248-L303 HydrophobicContact CZ-CD1 4.19Å; F248-L306 HydrophobicContact CD1-CD2 4.14Å; F248-L306 HydrophobicContact CD2-CD2 4.37Å; F248-L306 HydrophobicContact CE1-CD2 4.09Å; F248-L306 HydrophobicContact CE2-CD2 4.32Å; F248-L306 HydrophobicContact CG-CD2 4.29Å; F248-L306 HydrophobicContact CZ-CD2 4.2Å |
| 249 | F | 83.5 | Confident | 77.2 | Confident | 103 Ų | 103 | 41.9 Ų | 41.9 | 45% | 0.452 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -73.9 | -37.4 | -179.3 | -72.7 | -75.3 | 0 | 0 | 0 | 112.8 | F245 L251 I252 V253 | F245-F249 HydrophobicContact CB-CD2 4.36Å; F245-F249 AromaticContact CD1-CD2 3.86Å; F245-F249 HydrophobicContact CD1-CD2 3.86Å; F245-F249 AromaticContact CD1-CE2 3.37Å; F245-F249 HydrophobicContact CD1-CE2 3.37Å; F245-F249 HydrophobicContact CD1-CZ 4.45Å; F245-F249 AromaticContact CE1-CE2 3.67Å; F245-F249 HydrophobicContact CE1-CE2 3.67Å; F245-F249 HydrophobicContact CE1-CZ 4.41Å; F245-F249 HydrophobicContact CG-CD2 4.44Å; F245-F249 HydrophobicContact CG-CE2 4.2Å; F245-F249 VanDerWaalsContact O-CD2 3.28Å; F245-F249 WeakPolarHBondContact O-CD2 3.3Å; F245-F249 PolarHBondContact O-N 3.33Å; F249-L251 VanDerWaalsContact C-N 3.27Å; F249-L251 PolarHBondContact O-N 3.45Å; F249-I252 HydrophobicContact CD1-CD1 4.47Å; F249-I252 PolarHBondContact O-N 3.27Å; F249-V253 WeakPolarHBondContact O-CG2 3.25Å; F249-V253 PolarHBondContact O-N 3.38Å |
| 250 | T | 84.3 | Confident | 78.6 | Confident | 48 Ų | 48 | 42.2 Ų | 42.2 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.7 | -43.9 | 174.7 | -62.2 | 0 | 0 | 0 | 0 | 110.3 | V132 V246 I252 V253 V254 | V132-T250 HydrophobicContact CG1-CG2 3.88Å; V246-T250 WeakPolarHBondContact O-CB 3.23Å; V246-T250 PolarHBondContact O-N 3.4Å; V246-T250 PolarHBondContact O-OG1 2.83Å; T250-I252 PolarHBondContact O-N 3.36Å; T250-V253 PolarHBondContact O-N 3.2Å; T250-V254 HydrophobicContact CG2-CG2 3.91Å; T250-V254 VanDerWaalsContact O-CB 3.28Å; T250-V254 WeakPolarHBondContact O-CB 3.4Å; T250-V254 VanDerWaalsContact O-CG2 3.23Å; T250-V254 WeakPolarHBondContact O-CG2 3.43Å; T250-V254 PolarHBondContact O-N 2.94Å |
| 251 | L | 86.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -41 | 177.7 | -73.8 | 174.4 | 0 | 0 | 0 | 112 | V131 V132 S135 P247 F248 F249 N255 V295 Y298 | V131-L251 HydrophobicContact CG1-CD1 4.07Å; V131-L251 HydrophobicContact CG1-CD2 3.86Å; V132-L251 HydrophobicContact CB-CD2 4.43Å; V132-L251 HydrophobicContact CG2-CD1 4.34Å; V132-L251 HydrophobicContact CG2-CD2 3.98Å; V132-L251 HydrophobicContact CG2-CG 3.94Å; S135-L251 WeakPolarHBondContact OG-CD2 3.32Å; P247-L251 VanDerWaalsContact O-CB 3.24Å; P247-L251 WeakPolarHBondContact O-CB 3.23Å; P247-L251 WeakPolarHBondContact O-CG 3.48Å; P247-L251 PolarHBondContact O-N 2.95Å; F248-L251 PolarHBondContact O-N 3.13Å; F249-L251 VanDerWaalsContact C-N 3.27Å; F249-L251 PolarHBondContact O-N 3.45Å; L251-N255 WeakPolarHBondContact O-CB 3.18Å; L251-N255 PolarHBondContact O-N 2.86Å; L251-N255 PolarHBondContact O-ND2 2.81Å; L251-V295 HydrophobicContact CB-CG1 4.03Å; L251-V295 HydrophobicContact CD2-CG2 4.27Å; L251-Y298 HydrophobicContact CD1-CD1 3.42Å; L251-Y298 VanDerWaalsContact CD1-CD1 3.42Å; L251-Y298 HydrophobicContact CD1-CE1 3.6Å; L251-Y298 HydrophobicContact CD1-CG 4.06Å |
| 252 | I | 86.8 | Confident | 80.9 | Confident | 59 Ų | 59 | 43.9 Ų | 43.9 | 30% | 0.303 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.4 | -56.1 | 173.5 | -68.6 | 169.3 | 0 | 0 | 0 | 109.9 | F248 F249 T250 N255 Q256 L299 | F248-I252 HydrophobicContact CD1-CD1 3.77Å; F248-I252 HydrophobicContact CE1-CD1 3.54Å; F248-I252 HydrophobicContact CZ-CD1 4.49Å; F248-I252 WeakPolarHBondContact O-CG1 3.29Å; F248-I252 PolarHBondContact O-N 2.86Å; F248-I252 VanDerWaalsContact O-N 3.17Å; F249-I252 HydrophobicContact CD1-CD1 4.47Å; F249-I252 PolarHBondContact O-N 3.27Å; T250-I252 PolarHBondContact O-N 3.36Å; I252-N255 PolarHBondContact O-N 3.3Å; I252-Q256 HydrophobicContact CG2-CG 4.4Å; I252-Q256 WeakPolarHBondContact O-CB 3.17Å; I252-Q256 VanDerWaalsContact O-CG 3.24Å; I252-Q256 WeakPolarHBondContact O-CG 3.4Å; I252-Q256 PolarHBondContact O-N 3.27Å; I252-L299 HydrophobicContact CD1-CD1 4.49Å; I252-L299 HydrophobicContact CD1-CD2 4.28Å; I252-L299 HydrophobicContact CG1-CD1 3.71Å; I252-L299 HydrophobicContact CG1-CD2 3.95Å |
| 253 | V | 86.9 | Confident | 81.8 | Confident | 81 Ų | 81 | 50.2 Ų | 50.2 | 49% | 0.491 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.1 | -52.1 | -174.9 | 173 | 0 | 0 | 0 | 0 | 111.2 | F249 T250 N255 Q256 L257 | F249-V253 WeakPolarHBondContact O-CG2 3.25Å; F249-V253 PolarHBondContact O-N 3.38Å; T250-V253 PolarHBondContact O-N 3.2Å; V253-N255 VanDerWaalsContact C-N 3.32Å; V253-N255 PolarHBondContact O-N 3.17Å; V253-Q256 PolarHBondContact O-N 3.12Å; V253-L257 HydrophobicContact CG1-CD1 3.81Å; V253-L257 HydrophobicContact CG1-CG 4.29Å; V253-L257 WeakPolarHBondContact O-CB 3.46Å; V253-L257 VanDerWaalsContact O-CG 3.28Å; V253-L257 WeakPolarHBondContact O-CG 3.47Å; V253-L257 PolarHBondContact O-N 3.18Å |
| 254 | V | 85.2 | Confident | 82.5 | Confident | 23 Ų | 23 | 49.4 Ų | 49.4 | 14% | 0.139 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -40.6 | -177.6 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | S135 T250 T258 | S135-V254 WeakPolarHBondContact O-CG1 3.32Å; T250-V254 HydrophobicContact CG2-CG2 3.91Å; T250-V254 VanDerWaalsContact O-CB 3.28Å; T250-V254 WeakPolarHBondContact O-CB 3.4Å; T250-V254 VanDerWaalsContact O-CG2 3.23Å; T250-V254 WeakPolarHBondContact O-CG2 3.43Å; T250-V254 PolarHBondContact O-N 2.94Å; V254-T258 WeakPolarHBondContact O-CB 3.26Å; V254-T258 PolarHBondContact O-N 3.35Å; V254-T258 PolarHBondContact O-OG1 2.93Å |
| 255 | N | 86.8 | Confident | 82.7 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.053 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.1 | -36.9 | 179 | -78 | -82.7 | 0 | 0 | 0 | 112.4 | L251 I252 V253 T258 I259 M291 V295 | L251-N255 WeakPolarHBondContact O-CB 3.18Å; L251-N255 PolarHBondContact O-N 2.86Å; L251-N255 PolarHBondContact O-ND2 2.81Å; I252-N255 PolarHBondContact O-N 3.3Å; V253-N255 VanDerWaalsContact C-N 3.32Å; V253-N255 PolarHBondContact O-N 3.17Å; N255-T258 PolarHBondContact O-N 2.76Å; N255-I259 VanDerWaalsContact O-CG1 3.26Å; N255-I259 WeakPolarHBondContact O-CG1 3.4Å; N255-I259 PolarHBondContact O-N 2.94Å; N255-M291 WeakPolarHBondContact OD1-CG 3.46Å; N255-V295 HydrophobicContact CB-CG1 4.34Å; N255-V295 WeakPolarHBondContact ND2-CG1 3.38Å; N255-V295 WeakPolarHBondContact ND2-CG2 3.25Å |
| 256 | Q | 86.1 | Confident | 82.7 | Confident | 109 Ų | 109 | 50.6 Ų | 50.6 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 173.9 | -67.4 | -59.9 | -6 | 0 | 0 | 111.6 | I252 V253 T258 I259 V260 | I252-Q256 HydrophobicContact CG2-CG 4.4Å; I252-Q256 WeakPolarHBondContact O-CB 3.17Å; I252-Q256 VanDerWaalsContact O-CG 3.24Å; I252-Q256 WeakPolarHBondContact O-CG 3.4Å; I252-Q256 PolarHBondContact O-N 3.27Å; V253-Q256 PolarHBondContact O-N 3.12Å; Q256-T258 VanDerWaalsContact C-N 3.28Å; Q256-T258 PolarHBondContact O-N 2.94Å; Q256-I259 PolarHBondContact O-N 3.46Å; Q256-I259 VanDerWaalsContact O-N 3.13Å; Q256-V260 WeakPolarHBondContact O-CG2 3.42Å; Q256-V260 PolarHBondContact O-N 3.25Å |
| 257 | L | 85.4 | Confident | 82.6 | Confident | 74 Ų | 74 | 52.5 Ų | 52.5 | 39% | 0.387 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 175.1 | -68.8 | 175.7 | 0 | 0 | 0 | 111.7 | Y139 V253 I259 V260 N261 | Y139-L257 HydrophobicContact CD2-CB 3.96Å; Y139-L257 HydrophobicContact CE2-CB 3.57Å; Y139-L257 HydrophobicContact CE2-CD1 4.47Å; V253-L257 HydrophobicContact CG1-CD1 3.81Å; V253-L257 HydrophobicContact CG1-CG 4.29Å; V253-L257 WeakPolarHBondContact O-CB 3.46Å; V253-L257 VanDerWaalsContact O-CG 3.28Å; V253-L257 WeakPolarHBondContact O-CG 3.47Å; V253-L257 PolarHBondContact O-N 3.18Å; L257-I259 PolarHBondContact O-N 3.23Å; L257-V260 PolarHBondContact O-N 2.79Å; L257-N261 WeakPolarHBondContact O-CB 3.21Å; L257-N261 PolarHBondContact O-N 3.11Å; L257-N261 PolarHBondContact O-ND2 3.49Å |
| 258 | T | 82.7 | Confident | 82.2 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 4% | 0.043 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 175.5 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | Y139 V142 V254 N255 Q256 W262 | Y139-T258 WeakPolarHBondContact CB-OG1 3.49Å; V142-T258 HydrophobicContact CG2-CG2 4.07Å; V254-T258 WeakPolarHBondContact O-CB 3.26Å; V254-T258 PolarHBondContact O-N 3.35Å; V254-T258 PolarHBondContact O-OG1 2.93Å; N255-T258 PolarHBondContact O-N 2.76Å; Q256-T258 VanDerWaalsContact C-N 3.28Å; Q256-T258 PolarHBondContact O-N 2.94Å; T258-W262 WeakPolarHBondContact O-CB 3.33Å; T258-W262 PolarHBondContact O-N 3.15Å |
| 259 | I | 84.2 | Confident | 81.6 | Confident | 36 Ų | 36 | 59.3 Ų | 59.3 | 19% | 0.185 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 178.6 | -69.5 | 163.2 | 0 | 0 | 0 | 111.2 | N255 Q256 L257 W262 R263 I292 | N255-I259 VanDerWaalsContact O-CG1 3.26Å; N255-I259 WeakPolarHBondContact O-CG1 3.4Å; N255-I259 PolarHBondContact O-N 2.94Å; Q256-I259 PolarHBondContact O-N 3.46Å; Q256-I259 VanDerWaalsContact O-N 3.13Å; L257-I259 PolarHBondContact O-N 3.23Å; I259-W262 PolarHBondContact O-N 3.21Å; I259-R263 WeakPolarHBondContact O-CG 3.43Å; I259-R263 PolarHBondContact O-N 3.47Å; I259-R263 VanDerWaalsContact O-N 3.12Å; I259-I292 HydrophobicContact CD1-CD1 3.92Å; I259-I292 HydrophobicContact CD1-CG1 4.21Å; I259-I292 HydrophobicContact CG1-CD1 3.85Å; I259-I292 HydrophobicContact CG1-CG1 4.35Å |
| 260 | V | 84.8 | Confident | 81 | Confident | 92 Ų | 92 | 59.1 Ų | 59.1 | 56% | 0.558 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.2 | -51.3 | -178.4 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | Q256 L257 W262 R263 G264 | Q256-V260 WeakPolarHBondContact O-CG2 3.42Å; Q256-V260 PolarHBondContact O-N 3.25Å; L257-V260 PolarHBondContact O-N 2.79Å; V260-W262 VanDerWaalsContact C-N 3.31Å; V260-W262 PolarHBondContact O-N 3.45Å; V260-R263 PolarHBondContact O-N 3.13Å; V260-G264 PolarHBondContact O-N 3.49Å |
| 261 | N | 82.1 | Confident | 80.4 | Confident | 47 Ų | 47 | 64.6 Ų | 64.6 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.7 | -33.4 | -178.5 | -69.7 | -29.3 | 0 | 0 | 0 | 112.1 | Y139 V142 M143 L257 R263 G264 V265 | Y139-N261 VanDerWaalsContact CE2-ND2 3.33Å; Y139-N261 WeakPolarHBondContact CE2-ND2 3.44Å; V142-N261 HydrophobicContact CG1-CB 4.09Å; M143-N261 HydrophobicContact SD-CB 3.7Å; M143-N261 PolarHBondContact SD-ND2 3.39Å; L257-N261 WeakPolarHBondContact O-CB 3.21Å; L257-N261 PolarHBondContact O-N 3.11Å; L257-N261 PolarHBondContact O-ND2 3.49Å; N261-R263 PolarHBondContact O-N 2.95Å; N261-G264 PolarHBondContact O-N 2.92Å; N261-V265 WeakPolarHBondContact O-CG2 3.33Å; N261-V265 PolarHBondContact O-N 2.92Å |
| 262 | W | 77.9 | Confident | 79.5 | Confident | 19 Ų | 19 | 71.7 Ų | 71.7 | 7% | 0.072 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.3 | -43 | 173 | 178.6 | -84.7 | 0 | 0 | 0 | 112.4 | V142 T258 I259 V260 G264 V265 L266 S284 Q285 | V142-W262 HydrophobicContact CG1-CB 4.07Å; V142-W262 HydrophobicContact CG1-CE3 4.11Å; V142-W262 HydrophobicContact CG2-CE3 3.82Å; V142-W262 HydrophobicContact CG2-CZ3 4.47Å; T258-W262 WeakPolarHBondContact O-CB 3.33Å; T258-W262 PolarHBondContact O-N 3.15Å; I259-W262 PolarHBondContact O-N 3.21Å; V260-W262 VanDerWaalsContact C-N 3.31Å; V260-W262 PolarHBondContact O-N 3.45Å; W262-G264 VanDerWaalsContact C-N 3.27Å; W262-G264 PolarHBondContact O-N 2.96Å; W262-V265 PolarHBondContact O-N 3.48Å; W262-L266 WeakPolarHBondContact O-CB 3.35Å; W262-L266 PolarHBondContact O-N 3.12Å; W262-S284 WeakPolarHBondContact CH2-OG 3.24Å; W262-S284 VanDerWaalsContact CZ2-OG 3.29Å; W262-S284 WeakPolarHBondContact CZ2-OG 3.37Å; W262-Q285 HydrophobicContact CZ2-CG 4.36Å |
| 263 | R | 80.1 | Confident | 78.4 | Confident | 166 Ų | 166 | 71 Ų | 71 | 63% | 0.626 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.3 | -41.6 | 176.7 | -72.5 | -178.9 | -171.1 | -128.3 | 5.8 | 110.8 | I259 V260 N261 L266 N267 | I259-R263 WeakPolarHBondContact O-CG 3.43Å; I259-R263 PolarHBondContact O-N 3.47Å; I259-R263 VanDerWaalsContact O-N 3.12Å; V260-R263 PolarHBondContact O-N 3.13Å; N261-R263 PolarHBondContact O-N 2.95Å; R263-L266 PolarHBondContact O-N 3.25Å; R263-N267 VanDerWaalsContact O-CG 3.29Å; R263-N267 PolarHBondContact O-N 3.33Å; R263-N267 PolarHBondContact O-OD1 2.9Å |
| 264 | G | 78.6 | Confident | 77.3 | Confident | 36 Ų | 36 | 69.7 Ų | 69.7 | 37% | 0.371 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60 | -45 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | V260 N261 W262 K268 | V260-G264 PolarHBondContact O-N 3.49Å; N261-G264 PolarHBondContact O-N 2.92Å; W262-G264 VanDerWaalsContact C-N 3.27Å; W262-G264 PolarHBondContact O-N 2.96Å; G264-K268 PolarHBondContact O-N 3.39Å |
| 265 | V | 76.5 | Confident | 76 | Confident | 37 Ų | 37 | 75.6 Ų | 75.6 | 22% | 0.224 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 177.1 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | V142 N261 W262 N267 K268 T269 | V142-V265 HydrophobicContact CG1-CG2 4.5Å; N261-V265 WeakPolarHBondContact O-CG2 3.33Å; N261-V265 PolarHBondContact O-N 2.92Å; W262-V265 PolarHBondContact O-N 3.48Å; V265-N267 PolarHBondContact O-N 2.7Å; V265-K268 PolarHBondContact O-N 3.35Å; V265-T269 PolarHBondContact O-N 3.36Å; V265-T269 PolarHBondContact O-OG1 2.63Å |
| 266 | L | 76.1 | Confident | 74.7 | Confident | 35 Ų | 35 | 80 Ų | 80 | 18% | 0.183 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.2 | -45.3 | -178.7 | -177.6 | 66.3 | 0 | 0 | 0 | 111.8 | W262 R263 K268 T269 V270 V281 | W262-L266 WeakPolarHBondContact O-CB 3.35Å; W262-L266 PolarHBondContact O-N 3.12Å; R263-L266 PolarHBondContact O-N 3.25Å; L266-K268 VanDerWaalsContact C-N 3.32Å; L266-K268 PolarHBondContact O-N 2.97Å; L266-T269 PolarHBondContact O-N 2.85Å; L266-V270 HydrophobicContact CD1-CG2 4.3Å; L266-V270 HydrophobicContact CG-CG2 4.46Å; L266-V270 WeakPolarHBondContact O-CG2 3.36Å; L266-V270 PolarHBondContact O-N 2.89Å; L266-V281 HydrophobicContact CD1-CG1 3.64Å; L266-V281 HydrophobicContact CD1-CG2 4.5Å |
| 267 | N | 74.9 | Confident | 73.6 | Confident | 99 Ų | 99 | 75.8 Ų | 75.8 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 179.2 | -71.8 | 4.7 | 0 | 0 | 0 | 111.2 | R263 V265 T269 V270 E271 | R263-N267 VanDerWaalsContact O-CG 3.29Å; R263-N267 PolarHBondContact O-N 3.33Å; R263-N267 PolarHBondContact O-OD1 2.9Å; V265-N267 PolarHBondContact O-N 2.7Å; N267-T269 PolarHBondContact O-N 3.37Å; N267-V270 PolarHBondContact O-N 2.9Å; N267-E271 WeakPolarHBondContact O-CG 3.48Å; N267-E271 PolarHBondContact O-N 2.77Å; N267-E271 VanDerWaalsContact O-N 3.07Å |
| 268 | K | 74.3 | Confident | 72.6 | Confident | 133 Ų | 133 | 75.1 Ų | 75.1 | 58% | 0.578 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | 175.6 | -69.1 | -177.6 | 178.4 | -172.5 | 0 | 112.9 | G264 V265 L266 V270 E271 E272 | G264-K268 PolarHBondContact O-N 3.39Å; V265-K268 PolarHBondContact O-N 3.35Å; L266-K268 VanDerWaalsContact C-N 3.32Å; L266-K268 PolarHBondContact O-N 2.97Å; K268-V270 VanDerWaalsContact C-N 3.33Å; K268-V270 PolarHBondContact O-N 3.31Å; K268-E271 PolarHBondContact O-N 2.66Å; K268-E272 WeakPolarHBondContact O-CB 3.4Å; K268-E272 WeakPolarHBondContact O-CG 3.5Å; K268-E272 PolarHBondContact O-N 3.05Å |
| 269 | T | 69.3 | Low | 71.7 | Confident | 32 Ų | 32 | 81 Ų | 81 | 20% | 0.196 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.5 | -36.6 | -178.1 | -18.6 | 0 | 0 | 0 | 0 | 111.7 | V265 L266 N267 D273 | V265-T269 PolarHBondContact O-N 3.36Å; V265-T269 PolarHBondContact O-OG1 2.63Å; L266-T269 PolarHBondContact O-N 2.85Å; N267-T269 PolarHBondContact O-N 3.37Å; T269-D273 PolarHBondContact O-N 3.39Å; T269-D273 VanDerWaalsContact O-N 3.17Å |
| 270 | V | 70.6 | Confident | 70.7 | Confident | 98 Ų | 98 | 82 Ų | 82 | 59% | 0.594 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -69.7 | -38.4 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | L266 N267 K268 | L266-V270 HydrophobicContact CD1-CG2 4.3Å; L266-V270 HydrophobicContact CG-CG2 4.46Å; L266-V270 WeakPolarHBondContact O-CG2 3.36Å; L266-V270 PolarHBondContact O-N 2.89Å; N267-V270 PolarHBondContact O-N 2.9Å; K268-V270 VanDerWaalsContact C-N 3.33Å; K268-V270 PolarHBondContact O-N 3.31Å |
| 271 | E | 71.7 | Confident | 70 | Confident | 163 Ų | 163 | 79 Ų | 79 | 76% | 0.762 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -67.5 | -39.7 | 176 | -75.5 | 174.4 | 176.8 | 0 | 0 | 112.6 | N267 K268 | N267-E271 WeakPolarHBondContact O-CG 3.48Å; N267-E271 PolarHBondContact O-N 2.77Å; N267-E271 VanDerWaalsContact O-N 3.07Å; K268-E271 PolarHBondContact O-N 2.66Å |
| 272 | E | 69 | Low | 69.4 | Low | 149 Ų | 149 | 81.1 Ų | 81.1 | 70% | 0.696 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -85.7 | -35.1 | -171.8 | -72.4 | 176.5 | 171.5 | 0 | 0 | 114.7 | K268 | K268-E272 WeakPolarHBondContact O-CB 3.4Å; K268-E272 WeakPolarHBondContact O-CG 3.5Å; K268-E272 PolarHBondContact O-N 3.05Å |
| 273 | D | 62.8 | Low | 68.9 | Low | 45 Ų | 45 | 80.8 Ų | 80.8 | 24% | 0.241 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -122 | -7.2 | -157.2 | -134.5 | 15 | 0 | 0 | 0 | 115.7 | T269 N277 | T269-D273 PolarHBondContact O-N 3.39Å; T269-D273 VanDerWaalsContact O-N 3.17Å; D273-N277 PolarHBondContact OD2-ND2 3.22Å |
| 274 | G | 63.7 | Low | 68.3 | Low | 53 Ų | 53 | 73.8 Ų | 73.8 | 55% | 0.546 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | 54.9 | -168.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | S276 | G274-S276 PolarHBondContact O-N 3.07Š|
| 275 | D | 58.5 | Low | 68.1 | Low | 147 Ų | 147 | 74.5 Ų | 74.5 | 79% | 0.786 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -63.6 | -3.7 | -171.1 | -154.8 | 26.1 | 0 | 0 | 0 | 115.2 | N277 S278 | D275-N277 PolarHBondContact O-N 3.27Å; D275-N277 VanDerWaalsContact O-N 3.14Å; D275-S278 PolarHBondContact O-N 3.3Å |
| 276 | S | 58.8 | Low | 68 | Low | 102 Ų | 102 | 73.2 Ų | 73.2 | 71% | 0.713 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -57.7 | -26.9 | -176.4 | 178.8 | 0 | 0 | 0 | 0 | 114.3 | G274 | G274-S276 PolarHBondContact O-N 3.07Š|
| 277 | N | 63.4 | Low | 67.9 | Low | 21 Ų | 21 | 72.1 Ų | 72.1 | 11% | 0.112 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -116.1 | 22.1 | -173.3 | -108.8 | -29.6 | 0 | 0 | 0 | 114.7 | D273 D275 D279 V280 V281 | D273-N277 PolarHBondContact OD2-ND2 3.22Å; D275-N277 PolarHBondContact O-N 3.27Å; D275-N277 VanDerWaalsContact O-N 3.14Å; N277-D279 PolarHBondContact O-N 3.28Å; N277-D279 VanDerWaalsContact O-N 3.15Å; N277-V280 PolarHBondContact O-N 2.73Å; N277-V280 VanDerWaalsContact OD1-CG2 3.32Å; N277-V280 WeakPolarHBondContact OD1-CG2 3.02Å; N277-V281 WeakPolarHBondContact O-CG2 3.22Å; N277-V281 PolarHBondContact O-N 3.39Å |
| 278 | S | 65.5 | Low | 68.1 | Low | 60 Ų | 60 | 70 Ų | 70 | 42% | 0.42 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -51.9 | -38.4 | -177.7 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | D275 V281 H282 | D275-S278 PolarHBondContact O-N 3.3Å; S278-V281 PolarHBondContact O-N 3.36Å; S278-H282 VanDerWaalsContact O-CB 3.23Å; S278-H282 WeakPolarHBondContact O-CB 3.47Å; S278-H282 PolarHBondContact O-N 3.01Å |
| 279 | D | 62.9 | Low | 68.5 | Low | 132 Ų | 132 | 69.4 Ų | 69.4 | 71% | 0.706 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67.8 | -40.1 | 177.8 | -79.1 | -27.5 | 0 | 0 | 0 | 113.7 | N277 H282 S283 | N277-D279 PolarHBondContact O-N 3.28Å; N277-D279 VanDerWaalsContact O-N 3.15Å; D279-H282 PolarHBondContact O-N 3.08Å; D279-S283 WeakPolarHBondContact O-CB 3.23Å; D279-S283 PolarHBondContact O-N 2.88Å |
| 280 | V | 64.4 | Low | 69.2 | Low | 57 Ų | 57 | 68.1 Ų | 68.1 | 35% | 0.345 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.5 | -42 | 177.8 | 177.3 | 0 | 0 | 0 | 0 | 110 | N277 S284 L384 | N277-V280 PolarHBondContact O-N 2.73Å; N277-V280 VanDerWaalsContact OD1-CG2 3.32Å; N277-V280 WeakPolarHBondContact OD1-CG2 3.02Å; V280-S284 WeakPolarHBondContact O-CB 3.28Å; V280-S284 PolarHBondContact O-N 3.36Å; V280-S284 PolarHBondContact O-OG 2.7Å; V280-L384 HydrophobicContact CG2-CB 4.43Å; V280-L384 HydrophobicContact CG2-CD1 3.88Å |
| 281 | V | 68.4 | Low | 69.8 | Low | 29 Ų | 29 | 64 Ų | 64 | 18% | 0.176 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 173.1 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | L266 N277 S278 S284 Q285 | L266-V281 HydrophobicContact CD1-CG1 3.64Å; L266-V281 HydrophobicContact CD1-CG2 4.5Å; N277-V281 WeakPolarHBondContact O-CG2 3.22Å; N277-V281 PolarHBondContact O-N 3.39Å; S278-V281 PolarHBondContact O-N 3.36Å; V281-S284 WeakPolarHBondContact CA-OG 3.35Å; V281-S284 PolarHBondContact O-N 2.99Å; V281-S284 PolarHBondContact O-OG 3.04Å; V281-Q285 HydrophobicContact CG1-CG 4.28Å; V281-Q285 WeakPolarHBondContact O-CB 3.28Å; V281-Q285 WeakPolarHBondContact O-CG 3.47Å; V281-Q285 PolarHBondContact O-N 2.74Å |
| 282 | H | 69.7 | Low | 70.5 | Confident | 90 Ų | 90 | 59.2 Ų | 59.2 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 179.3 | -176.6 | -100.4 | 0 | 0 | 0 | 112.7 | S278 D279 S284 Q285 T286 W353 | S278-H282 VanDerWaalsContact O-CB 3.23Å; S278-H282 WeakPolarHBondContact O-CB 3.47Å; S278-H282 PolarHBondContact O-N 3.01Å; D279-H282 PolarHBondContact O-N 3.08Å; H282-S284 PolarHBondContact O-N 3.01Å; H282-Q285 PolarHBondContact O-N 2.92Å; H282-T286 VanDerWaalsContact O-CB 3.3Å; H282-T286 WeakPolarHBondContact O-CB 3.45Å; H282-T286 PolarHBondContact O-N 2.87Å; H282-T286 PolarHBondContact O-OG1 2.83Å; H282-W353 AromaticContact CE1-CD1 3.83Å; H282-W353 AromaticContact ND1-CD1 3.87Å |
| 283 | S | 67.3 | Low | 71.3 | Confident | 12 Ų | 12 | 53.8 Ų | 53.8 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 175.9 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | D279 T286 A287 K354 E381 | D279-S283 WeakPolarHBondContact O-CB 3.23Å; D279-S283 PolarHBondContact O-N 2.88Å; S283-T286 WeakPolarHBondContact O-CB 3.4Å; S283-T286 PolarHBondContact O-N 3.26Å; S283-A287 PolarHBondContact O-N 3.39Å; S283-K354 WeakPolarHBondContact OG-CE 3.44Å; S283-K354 PolarHBondContact OG-NZ 3.11Å; S283-E381 PolarHBondContact OG-OE1 3.3Å |
| 284 | S | 68.9 | Low | 72.5 | Confident | 20 Ų | 20 | 52 Ų | 52 | 14% | 0.14 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.8 | -39.4 | -179.6 | 56 | 0 | 0 | 0 | 0 | 113.1 | W262 V280 V281 H282 T286 A287 R288 | W262-S284 WeakPolarHBondContact CH2-OG 3.24Å; W262-S284 VanDerWaalsContact CZ2-OG 3.29Å; W262-S284 WeakPolarHBondContact CZ2-OG 3.37Å; V280-S284 WeakPolarHBondContact O-CB 3.28Å; V280-S284 PolarHBondContact O-N 3.36Å; V280-S284 PolarHBondContact O-OG 2.7Å; V281-S284 WeakPolarHBondContact CA-OG 3.35Å; V281-S284 PolarHBondContact O-N 2.99Å; V281-S284 PolarHBondContact O-OG 3.04Å; H282-S284 PolarHBondContact O-N 3.01Å; S284-T286 VanDerWaalsContact C-N 3.3Å; S284-T286 PolarHBondContact O-N 3.14Å; S284-A287 PolarHBondContact O-N 3Å; S284-R288 PolarHBondContact O-N 3.38Å |
| 285 | Q | 74.1 | Confident | 73.6 | Confident | 51 Ų | 51 | 49.7 Ų | 49.7 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 172.2 | -77 | -176.6 | 8.8 | 0 | 0 | 112 | W262 V281 H282 R288 K289 | W262-Q285 HydrophobicContact CZ2-CG 4.36Å; V281-Q285 HydrophobicContact CG1-CG 4.28Å; V281-Q285 WeakPolarHBondContact O-CB 3.28Å; V281-Q285 WeakPolarHBondContact O-CG 3.47Å; V281-Q285 PolarHBondContact O-N 2.74Å; H282-Q285 PolarHBondContact O-N 2.92Å; Q285-R288 PolarHBondContact O-N 3.46Å; Q285-K289 WeakPolarHBondContact O-CG 3.17Å; Q285-K289 PolarHBondContact O-N 2.83Å |
| 286 | T | 74.7 | Confident | 75 | Confident | 9 Ų | 9 | 45.3 Ų | 45.3 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 178 | -64.8 | 0 | 0 | 0 | 0 | 110.9 | H282 S283 S284 R288 K289 M290 S351 N352 W353 | H282-T286 VanDerWaalsContact O-CB 3.3Å; H282-T286 WeakPolarHBondContact O-CB 3.45Å; H282-T286 PolarHBondContact O-N 2.87Å; H282-T286 PolarHBondContact O-OG1 2.83Å; S283-T286 WeakPolarHBondContact O-CB 3.4Å; S283-T286 PolarHBondContact O-N 3.26Å; S284-T286 VanDerWaalsContact C-N 3.3Å; S284-T286 PolarHBondContact O-N 3.14Å; T286-R288 VanDerWaalsContact C-N 3.3Å; T286-R288 PolarHBondContact O-N 3.34Å; T286-K289 PolarHBondContact O-N 3.42Å; T286-M290 PolarHBondContact O-N 2.94Å; T286-M290 VanDerWaalsContact O-N 3.09Å; T286-S351 WeakPolarHBondContact CG2-O 3.34Å; T286-S351 VanDerWaalsContact O-O 3.12Å; T286-N352 VanDerWaalsContact CG2-CA 3.44Å; T286-N352 HydrophobicContact CG2-CB 4.28Å; T286-W353 HydrophobicContact CG2-CB 4.29Å; T286-W353 HydrophobicContact CG2-CG 4.24Å; T286-W353 VanDerWaalsContact CG2-N 3.27Å |
| 287 | A | 73.5 | Confident | 76.5 | Confident | 12 Ų | 12 | 41.2 Ų | 41.2 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y69 S283 S284 M290 M291 | Y69-A287 WeakPolarHBondContact OH-CB 2.78Å; S283-A287 PolarHBondContact O-N 3.39Å; S284-A287 PolarHBondContact O-N 3Å; A287-M290 WeakPolarHBondContact O-CB 3.49Å; A287-M290 PolarHBondContact O-N 3.36Å; A287-M291 PolarHBondContact O-N 3.41Å; A287-M291 VanDerWaalsContact O-N 3.13Å |
| 288 | R | 79.3 | Confident | 77.7 | Confident | 54 Ų | 54 | 40.5 Ų | 40.5 | 20% | 0.204 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65 | -44.2 | 175.2 | 176.6 | -170.8 | 58.4 | 164.4 | -5.7 | 112.5 | S284 Q285 T286 M290 M291 I292 | S284-R288 PolarHBondContact O-N 3.38Å; Q285-R288 PolarHBondContact O-N 3.46Å; T286-R288 VanDerWaalsContact C-N 3.3Å; T286-R288 PolarHBondContact O-N 3.34Å; R288-M290 PolarHBondContact O-N 2.81Å; R288-M291 WeakPolarHBondContact O-CB 3.41Å; R288-M291 PolarHBondContact O-N 3.02Å; R288-I292 HydrophobicContact CG-CD1 3.85Å; R288-I292 HydrophobicContact CG-CG1 4.43Å; R288-I292 WeakPolarHBondContact O-CG1 3.44Å; R288-I292 PolarHBondContact O-N 3.41Å |
| 289 | K | 82.3 | Confident | 78.8 | Confident | 121 Ų | 121 | 39.1 Ų | 39.1 | 53% | 0.526 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.2 | -41.2 | 176.6 | -76.1 | 177 | -179.7 | 178.6 | 0 | 110.8 | Q285 T286 I292 S293 | Q285-K289 WeakPolarHBondContact O-CG 3.17Å; Q285-K289 PolarHBondContact O-N 2.83Å; T286-K289 PolarHBondContact O-N 3.42Å; K289-I292 PolarHBondContact O-N 3.05Å; K289-S293 WeakPolarHBondContact O-CB 3.41Å; K289-S293 PolarHBondContact O-N 3.49Å |
| 290 | M | 84.4 | Confident | 80.2 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 176.6 | -172.7 | -177.4 | 70.9 | 0 | 0 | 112 | Y69 L70 L73 T286 A287 R288 S293 I294 Y348 N352 I355 | Y69-M290 HydrophobicContact CE2-CE 3.66Å; L70-M290 HydrophobicContact CD2-CE 3.89Å; L70-M290 HydrophobicContact CD2-SD 4.44Å; L73-M290 HydrophobicContact CD1-CE 4.13Å; L73-M290 HydrophobicContact CD2-CE 3.49Å; L73-M290 VanDerWaalsContact CD2-CE 3.49Å; L73-M290 HydrophobicContact CD2-SD 3.53Å; L73-M290 VanDerWaalsContact CD2-SD 3.53Å; L73-M290 HydrophobicContact CG-CE 4.48Å; T286-M290 PolarHBondContact O-N 2.94Å; T286-M290 VanDerWaalsContact O-N 3.09Å; A287-M290 WeakPolarHBondContact O-CB 3.49Å; A287-M290 PolarHBondContact O-N 3.36Å; R288-M290 PolarHBondContact O-N 2.81Å; M290-S293 PolarHBondContact O-N 3.49Å; M290-I294 HydrophobicContact CG-CD1 4.06Å; M290-I294 VanDerWaalsContact O-CG1 3.27Å; M290-I294 WeakPolarHBondContact O-CG1 3.29Å; M290-I294 PolarHBondContact O-N 3.34Å; M290-Y348 HydrophobicContact CG-CD1 3.74Å; M290-Y348 HydrophobicContact CG-CE1 4.19Å; M290-Y348 HydrophobicContact SD-CD1 3.92Å; M290-Y348 HydrophobicContact SD-CE1 4.43Å; M290-Y348 HydrophobicContact SD-CG 4.31Å; M290-N352 HydrophobicContact CB-CB 4.49Å; M290-N352 HydrophobicContact CG-CB 4.45Å; M290-N352 HydrophobicContact SD-CB 3.71Å; M290-N352 PolarHBondContact SD-ND2 2.77Å; M290-I355 HydrophobicContact SD-CD1 3.92Å |
| 291 | M | 82.6 | Confident | 81.4 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 5% | 0.054 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.5 | -51.4 | 176.1 | 175 | 143 | -70.2 | 0 | 0 | 112.9 | R138 N255 A287 R288 S293 I294 V295 | R138-M291 HydrophobicContact CB-CE 3.62Å; R138-M291 HydrophobicContact CB-SD 3.35Å; R138-M291 WeakPolarHBondContact CB-SD 3.39Å; R138-M291 HydrophobicContact CG-CE 3.32Å; R138-M291 HydrophobicContact CG-SD 3.78Å; N255-M291 WeakPolarHBondContact OD1-CG 3.46Å; A287-M291 PolarHBondContact O-N 3.41Å; A287-M291 VanDerWaalsContact O-N 3.13Å; R288-M291 WeakPolarHBondContact O-CB 3.41Å; R288-M291 PolarHBondContact O-N 3.02Å; M291-S293 PolarHBondContact O-N 3.34Å; M291-I294 PolarHBondContact O-N 2.99Å; M291-V295 HydrophobicContact CG-CG2 4.46Å; M291-V295 WeakPolarHBondContact O-CB 2.8Å; M291-V295 VanDerWaalsContact O-CG2 3.23Å; M291-V295 WeakPolarHBondContact O-CG2 3.19Å; M291-V295 PolarHBondContact O-N 3.13Å |
| 292 | I | 85.5 | Confident | 82.4 | Confident | 63 Ų | 63 | 35 Ų | 35 | 32% | 0.323 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.6 | -40 | 179.5 | -65.8 | 169.5 | 0 | 0 | 0 | 110.1 | I259 R288 K289 V295 S296 | I259-I292 HydrophobicContact CD1-CD1 3.92Å; I259-I292 HydrophobicContact CD1-CG1 4.21Å; I259-I292 HydrophobicContact CG1-CD1 3.85Å; I259-I292 HydrophobicContact CG1-CG1 4.35Å; R288-I292 HydrophobicContact CG-CD1 3.85Å; R288-I292 HydrophobicContact CG-CG1 4.43Å; R288-I292 WeakPolarHBondContact O-CG1 3.44Å; R288-I292 PolarHBondContact O-N 3.41Å; K289-I292 PolarHBondContact O-N 3.05Å; I292-V295 PolarHBondContact O-N 3.07Å; I292-S296 VanDerWaalsContact O-CB 3.29Å; I292-S296 WeakPolarHBondContact O-CB 3.37Å; I292-S296 PolarHBondContact O-N 2.86Å; I292-S296 PolarHBondContact O-OG 3.39Å |
| 293 | S | 87.4 | Confident | 83.3 | Confident | 35 Ų | 35 | 35 Ų | 35 | 25% | 0.245 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.7 | -39.1 | 178.7 | -166.3 | 0 | 0 | 0 | 0 | 113 | K289 M290 M291 V295 S296 S297 I347 | K289-S293 WeakPolarHBondContact O-CB 3.41Å; K289-S293 PolarHBondContact O-N 3.49Å; M290-S293 PolarHBondContact O-N 3.49Å; M291-S293 PolarHBondContact O-N 3.34Å; S293-V295 VanDerWaalsContact C-N 3.34Å; S293-S296 WeakPolarHBondContact CA-OG 3.48Å; S293-S296 PolarHBondContact O-OG 3.33Å; S293-S296 VanDerWaalsContact O-OG 3.06Å; S293-S297 WeakPolarHBondContact O-CB 3.46Å; S293-S297 PolarHBondContact O-N 2.88Å; S293-I347 VanDerWaalsContact OG-CG2 3.27Å; S293-I347 WeakPolarHBondContact OG-CG2 3.33Å |
| 294 | I | 86.7 | Confident | 84.4 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -45 | 174.5 | -69.6 | 163.4 | 0 | 0 | 0 | 110.9 | L73 V131 M290 M291 S297 Y298 I347 Y348 | L73-I294 HydrophobicContact CD2-CD1 4.45Å; V131-I294 HydrophobicContact CG1-CG2 3.77Å; V131-I294 HydrophobicContact CG2-CG2 4.07Å; M290-I294 HydrophobicContact CG-CD1 4.06Å; M290-I294 VanDerWaalsContact O-CG1 3.27Å; M290-I294 WeakPolarHBondContact O-CG1 3.29Å; M290-I294 PolarHBondContact O-N 3.34Å; M291-I294 PolarHBondContact O-N 2.99Å; I294-S297 PolarHBondContact O-OG 3.04Å; I294-Y298 WeakPolarHBondContact O-CB 3.45Å; I294-Y298 PolarHBondContact O-N 3.02Å; I294-I347 HydrophobicContact CG1-CG2 4.19Å; I294-Y348 HydrophobicContact CD1-CD1 4.35Å; I294-Y348 HydrophobicContact CD1-CE1 3.42Å; I294-Y348 VanDerWaalsContact CD1-CE1 3.42Å; I294-Y348 HydrophobicContact CG1-CD1 4.37Å; I294-Y348 HydrophobicContact CG1-CE1 3.46Å; I294-Y348 VanDerWaalsContact CG1-CE1 3.46Å |
| 295 | V | 86.9 | Confident | 85.4 | Confident | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.036 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.1 | -44 | -173.2 | 170.6 | 0 | 0 | 0 | 0 | 109.9 | V131 L251 N255 M291 I292 S293 S297 Y298 L299 | V131-V295 HydrophobicContact CG1-CG2 4.22Å; L251-V295 HydrophobicContact CB-CG1 4.03Å; L251-V295 HydrophobicContact CD2-CG2 4.27Å; N255-V295 HydrophobicContact CB-CG1 4.34Å; N255-V295 WeakPolarHBondContact ND2-CG1 3.38Å; N255-V295 WeakPolarHBondContact ND2-CG2 3.25Å; M291-V295 HydrophobicContact CG-CG2 4.46Å; M291-V295 WeakPolarHBondContact O-CB 2.8Å; M291-V295 VanDerWaalsContact O-CG2 3.23Å; M291-V295 WeakPolarHBondContact O-CG2 3.19Å; M291-V295 PolarHBondContact O-N 3.13Å; I292-V295 PolarHBondContact O-N 3.07Å; S293-V295 VanDerWaalsContact C-N 3.34Å; V295-S297 VanDerWaalsContact C-N 3.34Å; V295-S297 PolarHBondContact O-N 3.39Å; V295-Y298 PolarHBondContact O-N 3.44Å; V295-L299 HydrophobicContact CG1-CD1 3.88Å; V295-L299 HydrophobicContact CG1-CG 4.22Å; V295-L299 WeakPolarHBondContact O-CB 3.3Å; V295-L299 VanDerWaalsContact O-CG 3.24Å; V295-L299 WeakPolarHBondContact O-CG 3.47Å; V295-L299 PolarHBondContact O-N 3.42Å |
| 296 | S | 88.5 | Confident | 85.8 | Confident | 54 Ų | 54 | 36.2 Ų | 36.2 | 38% | 0.378 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 174.8 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | I292 S293 Y298 L299 V300 | I292-S296 VanDerWaalsContact O-CB 3.29Å; I292-S296 WeakPolarHBondContact O-CB 3.37Å; I292-S296 PolarHBondContact O-N 2.86Å; I292-S296 PolarHBondContact O-OG 3.39Å; S293-S296 WeakPolarHBondContact CA-OG 3.48Å; S293-S296 PolarHBondContact O-OG 3.33Å; S293-S296 VanDerWaalsContact O-OG 3.06Å; S296-Y298 PolarHBondContact O-N 3.05Å; S296-L299 PolarHBondContact O-N 3.41Å; S296-V300 VanDerWaalsContact O-CG2 3.31Å; S296-V300 WeakPolarHBondContact O-CG2 3.5Å; S296-V300 PolarHBondContact O-N 3.39Å |
| 297 | S | 90 | Very high | 86.4 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 11% | 0.112 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60 | -47.6 | 175 | 82.7 | 0 | 0 | 0 | 0 | 110.9 | S293 I294 V295 L299 V300 T301 N340 I347 | S293-S297 WeakPolarHBondContact O-CB 3.46Å; S293-S297 PolarHBondContact O-N 2.88Å; I294-S297 PolarHBondContact O-OG 3.04Å; V295-S297 VanDerWaalsContact C-N 3.34Å; V295-S297 PolarHBondContact O-N 3.39Å; S297-L299 PolarHBondContact O-N 2.94Å; S297-V300 PolarHBondContact O-N 2.85Å; S297-T301 WeakPolarHBondContact O-CG2 3.19Å; S297-T301 PolarHBondContact O-N 2.92Å; S297-T301 PolarHBondContact O-OG1 2.86Å; S297-N340 PolarHBondContact OG-OD1 3Å; S297-N340 VanDerWaalsContact OG-OD1 3.09Å; S297-I347 WeakPolarHBondContact OG-CD1 3.48Å |
| 298 | Y | 89.3 | Confident | 86.9 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.4 | -46.6 | 177.6 | 175.7 | -86.1 | 0 | 0 | 0 | 112.1 | T128 L251 I294 V295 S296 T301 N302 | T128-Y298 HydrophobicContact CG2-CE2 3.89Å; T128-Y298 WeakPolarHBondContact CG2-OH 3.43Å; L251-Y298 HydrophobicContact CD1-CD1 3.42Å; L251-Y298 VanDerWaalsContact CD1-CD1 3.42Å; L251-Y298 HydrophobicContact CD1-CE1 3.6Å; L251-Y298 HydrophobicContact CD1-CG 4.06Å; I294-Y298 WeakPolarHBondContact O-CB 3.45Å; I294-Y298 PolarHBondContact O-N 3.02Å; V295-Y298 PolarHBondContact O-N 3.44Å; S296-Y298 PolarHBondContact O-N 3.05Å; Y298-T301 PolarHBondContact O-OG1 3.26Å; Y298-N302 VanDerWaalsContact CD2-ND2 3.28Å; Y298-N302 WeakPolarHBondContact CD2-ND2 3.29Å; Y298-N302 HydrophobicContact CE1-CB 4.26Å; Y298-N302 WeakPolarHBondContact CE2-ND2 3.04Å; Y298-N302 VanDerWaalsContact O-CB 3.23Å; Y298-N302 WeakPolarHBondContact O-CB 3.23Å; Y298-N302 PolarHBondContact O-N 2.87Å; Y298-N302 PolarHBondContact O-ND2 3.24Å |
| 299 | L | 89.1 | Confident | 87 | Confident | 31 Ų | 31 | 36.7 Ų | 36.7 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.2 | -44.8 | -178.2 | -69.1 | 173.2 | 0 | 0 | 0 | 111.3 | F248 I252 V295 S296 S297 N302 L303 | F248-L299 HydrophobicContact CD1-CD2 3.97Å; F248-L299 HydrophobicContact CD2-CD2 3.54Å; F248-L299 HydrophobicContact CE1-CD2 3.99Å; F248-L299 HydrophobicContact CE2-CB 4.16Å; F248-L299 HydrophobicContact CE2-CD2 3.56Å; F248-L299 HydrophobicContact CE2-CG 4.48Å; F248-L299 WeakPolarHBondContact CE2-O 3.33Å; F248-L299 HydrophobicContact CG-CD2 3.74Å; F248-L299 HydrophobicContact CZ-CB 4.39Å; F248-L299 HydrophobicContact CZ-CD2 3.79Å; I252-L299 HydrophobicContact CD1-CD1 4.49Å; I252-L299 HydrophobicContact CD1-CD2 4.28Å; I252-L299 HydrophobicContact CG1-CD1 3.71Å; I252-L299 HydrophobicContact CG1-CD2 3.95Å; V295-L299 HydrophobicContact CG1-CD1 3.88Å; V295-L299 HydrophobicContact CG1-CG 4.22Å; V295-L299 WeakPolarHBondContact O-CB 3.3Å; V295-L299 VanDerWaalsContact O-CG 3.24Å; V295-L299 WeakPolarHBondContact O-CG 3.47Å; V295-L299 PolarHBondContact O-N 3.42Å; S296-L299 PolarHBondContact O-N 3.41Å; S297-L299 PolarHBondContact O-N 2.94Å; L299-N302 PolarHBondContact O-N 2.92Å; L299-L303 WeakPolarHBondContact O-CB 3.36Å; L299-L303 PolarHBondContact O-N 3.09Å |
| 300 | V | 91 | Very high | 86.7 | Confident | 108 Ų | 108 | 33.2 Ų | 33.2 | 66% | 0.655 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -63.6 | -46.7 | 179.3 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | S296 S297 N302 L303 | S296-V300 VanDerWaalsContact O-CG2 3.31Å; S296-V300 WeakPolarHBondContact O-CG2 3.5Å; S296-V300 PolarHBondContact O-N 3.39Å; S297-V300 PolarHBondContact O-N 2.85Å; V300-N302 PolarHBondContact O-N 3.38Å; V300-L303 PolarHBondContact O-N 3.22Å |
| 301 | T | 90.1 | Very high | 86.5 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74 | -27 | -176.8 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | S297 Y298 N340 | S297-T301 WeakPolarHBondContact O-CG2 3.19Å; S297-T301 PolarHBondContact O-N 2.92Å; S297-T301 PolarHBondContact O-OG1 2.86Å; Y298-T301 PolarHBondContact O-OG1 3.26Å; T301-N340 HydrophobicContact CG2-CB 3.84Å; T301-N340 WeakPolarHBondContact OG1-CB 3.34Å; T301-N340 VanDerWaalsContact OG1-CG 3.26Å |
| 302 | N | 88.9 | Confident | 86.3 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.064 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -91.7 | -6 | 177.1 | -76.1 | -85.3 | 0 | 0 | 0 | 114 | Y298 L299 V300 L304 N305 L306 | Y298-N302 VanDerWaalsContact CD2-ND2 3.28Å; Y298-N302 WeakPolarHBondContact CD2-ND2 3.29Å; Y298-N302 HydrophobicContact CE1-CB 4.26Å; Y298-N302 WeakPolarHBondContact CE2-ND2 3.04Å; Y298-N302 VanDerWaalsContact O-CB 3.23Å; Y298-N302 WeakPolarHBondContact O-CB 3.23Å; Y298-N302 PolarHBondContact O-N 2.87Å; Y298-N302 PolarHBondContact O-ND2 3.24Å; L299-N302 PolarHBondContact O-N 2.92Å; V300-N302 PolarHBondContact O-N 3.38Å; N302-L304 VanDerWaalsContact C-N 3.34Å; N302-L304 PolarHBondContact O-N 3.49Å; N302-N305 WeakPolarHBondContact O-CB 3.34Å; N302-N305 PolarHBondContact O-N 3.17Å; N302-L306 WeakPolarHBondContact O-CB 3.4Å; N302-L306 PolarHBondContact O-N 2.87Å |
| 303 | L | 89 | Confident | 85.7 | Confident | 91 Ų | 91 | 41.5 Ų | 41.5 | 48% | 0.476 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.8 | -44 | 179.4 | 179.8 | 61.1 | 0 | 0 | 0 | 111.6 | F248 L299 V300 N305 L306 V307 | F248-L303 HydrophobicContact CZ-CD1 4.19Å; L299-L303 WeakPolarHBondContact O-CB 3.36Å; L299-L303 PolarHBondContact O-N 3.09Å; V300-L303 PolarHBondContact O-N 3.22Å; L303-N305 VanDerWaalsContact C-N 3.34Å; L303-N305 PolarHBondContact O-N 3.46Å; L303-L306 HydrophobicContact CD1-CD2 4.45Å; L303-L306 WeakPolarHBondContact O-CB 3.16Å; L303-L306 PolarHBondContact O-N 2.88Å; L303-V307 WeakPolarHBondContact O-CG2 3.13Å; L303-V307 PolarHBondContact O-N 3.48Å |
| 304 | L | 90.9 | Very high | 85.1 | Confident | 56 Ų | 56 | 45.6 Ų | 45.6 | 29% | 0.293 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 177.7 | -176.6 | 63.8 | 0 | 0 | 0 | 111.2 | N302 L306 V307 V308 A332 V333 L336 | N302-L304 VanDerWaalsContact C-N 3.34Å; N302-L304 PolarHBondContact O-N 3.49Å; L304-L306 VanDerWaalsContact C-N 3.28Å; L304-L306 PolarHBondContact O-N 2.68Å; L304-V307 PolarHBondContact O-N 2.92Å; L304-V307 VanDerWaalsContact O-N 3.15Å; L304-V308 HydrophobicContact CD1-CG2 4.22Å; L304-V308 HydrophobicContact CG-CG2 4.29Å; L304-V308 WeakPolarHBondContact O-CG2 3.45Å; L304-V308 PolarHBondContact O-N 3.38Å; L304-A332 HydrophobicContact CD2-CB 3.6Å; L304-V333 HydrophobicContact CB-CG2 4.29Å; L304-V333 HydrophobicContact CD2-CG2 3.95Å; L304-V333 HydrophobicContact CG-CG2 3.79Å; L304-L336 HydrophobicContact CB-CD1 3.79Å; L304-L336 HydrophobicContact CD2-CD1 3.79Å; L304-L336 HydrophobicContact CG-CD1 4.45Å |
| 305 | N | 88.5 | Confident | 84.7 | Confident | 39 Ų | 39 | 48.6 Ų | 48.6 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 175.7 | -173.8 | 31.3 | 0 | 0 | 0 | 111.1 | N302 L303 T309 V333 | N302-N305 WeakPolarHBondContact O-CB 3.34Å; N302-N305 PolarHBondContact O-N 3.17Å; L303-N305 VanDerWaalsContact C-N 3.34Å; L303-N305 PolarHBondContact O-N 3.46Å; N305-T309 WeakPolarHBondContact O-CB 3.36Å; N305-T309 PolarHBondContact O-N 3.37Å; N305-T309 PolarHBondContact O-OG1 2.91Å; N305-V333 HydrophobicContact CB-CG1 3.84Å; N305-V333 HydrophobicContact CB-CG2 4.22Å |
| 306 | L | 84.1 | Confident | 84.3 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.4 | -48.6 | 174.9 | -174.6 | 75.6 | 0 | 0 | 0 | 111.4 | V244 F245 F248 N302 L303 L304 T309 I310 | V244-L306 HydrophobicContact CB-CD1 4.16Å; V244-L306 HydrophobicContact CG1-CB 4.06Å; V244-L306 HydrophobicContact CG1-CD1 3.66Å; F245-L306 HydrophobicContact CD2-CD1 3.4Å; F245-L306 VanDerWaalsContact CD2-CD1 3.4Å; F245-L306 HydrophobicContact CE1-CD1 4.4Å; F245-L306 HydrophobicContact CE2-CD1 3.18Å; F245-L306 HydrophobicContact CE2-CG 4.1Å; F245-L306 HydrophobicContact CG-CD1 4.08Å; F245-L306 HydrophobicContact CZ-CD1 3.76Å; F245-L306 HydrophobicContact CZ-CG 4.38Å; F248-L306 HydrophobicContact CD1-CD2 4.14Å; F248-L306 HydrophobicContact CD2-CD2 4.37Å; F248-L306 HydrophobicContact CE1-CD2 4.09Å; F248-L306 HydrophobicContact CE2-CD2 4.32Å; F248-L306 HydrophobicContact CG-CD2 4.29Å; F248-L306 HydrophobicContact CZ-CD2 4.2Å; N302-L306 WeakPolarHBondContact O-CB 3.4Å; N302-L306 PolarHBondContact O-N 2.87Å; L303-L306 HydrophobicContact CD1-CD2 4.45Å; L303-L306 WeakPolarHBondContact O-CB 3.16Å; L303-L306 PolarHBondContact O-N 2.88Å; L304-L306 VanDerWaalsContact C-N 3.28Å; L304-L306 PolarHBondContact O-N 2.68Å; L306-T309 PolarHBondContact O-N 2.88Å; L306-I310 HydrophobicContact CG-CD1 4.07Å; L306-I310 WeakPolarHBondContact O-CD1 3.38Å; L306-I310 WeakPolarHBondContact O-CG1 3.49Å; L306-I310 PolarHBondContact O-N 3.23Å |
| 307 | V | 86.6 | Confident | 84.1 | Confident | 62 Ų | 62 | 57.1 Ų | 57.1 | 38% | 0.376 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.5 | -50.4 | -179.4 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | L303 L304 T309 I310 W311 | L303-V307 WeakPolarHBondContact O-CG2 3.13Å; L303-V307 PolarHBondContact O-N 3.48Å; L304-V307 PolarHBondContact O-N 2.92Å; L304-V307 VanDerWaalsContact O-N 3.15Å; V307-T309 VanDerWaalsContact C-N 3.28Å; V307-T309 PolarHBondContact O-N 3.49Å; V307-I310 PolarHBondContact O-N 3.29Å; V307-W311 HydrophobicContact CG1-CE3 4.25Å; V307-W311 WeakPolarHBondContact O-CB 3.46Å; V307-W311 PolarHBondContact O-N 3.17Å |
| 308 | V | 84.8 | Confident | 83.9 | Confident | 12 Ų | 12 | 60 Ų | 60 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 179.1 | 172.4 | 0 | 0 | 0 | 0 | 110.2 | L304 I310 W311 E312 Y326 A329 V333 | L304-V308 HydrophobicContact CD1-CG2 4.22Å; L304-V308 HydrophobicContact CG-CG2 4.29Å; L304-V308 WeakPolarHBondContact O-CG2 3.45Å; L304-V308 PolarHBondContact O-N 3.38Å; V308-I310 PolarHBondContact O-N 3.05Å; V308-W311 WeakPolarHBondContact O-CA 3.37Å; V308-W311 WeakPolarHBondContact O-CB 3.33Å; V308-W311 PolarHBondContact O-N 3.03Å; V308-E312 HydrophobicContact CG1-CG 4.46Å; V308-E312 WeakPolarHBondContact O-CG 3.35Å; V308-E312 PolarHBondContact O-N 3.47Å; V308-Y326 HydrophobicContact CG1-CE2 4.12Å; V308-A329 HydrophobicContact CG2-CB 3.95Å; V308-V333 HydrophobicContact CG2-CG2 4.24Å |
| 309 | T | 79.6 | Confident | 83.6 | Confident | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 180 | -62.7 | 0 | 0 | 0 | 0 | 112.7 | P241 V244 N305 L306 V307 W311 H313 | P241-T309 HydrophobicContact CB-CG2 4.44Å; P241-T309 VanDerWaalsContact CD-CG2 3.42Å; P241-T309 HydrophobicContact CG-CG2 2.97Å; V244-T309 HydrophobicContact CG2-CG2 4.37Å; N305-T309 WeakPolarHBondContact O-CB 3.36Å; N305-T309 PolarHBondContact O-N 3.37Å; N305-T309 PolarHBondContact O-OG1 2.91Å; L306-T309 PolarHBondContact O-N 2.88Å; V307-T309 VanDerWaalsContact C-N 3.28Å; V307-T309 PolarHBondContact O-N 3.49Å; T309-W311 VanDerWaalsContact C-N 3.32Å; T309-H313 PolarHBondContact O-N 3.44Å |
| 310 | I | 76.8 | Confident | 83.2 | Confident | 49 Ų | 49 | 64.2 Ų | 64.2 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 172.5 | -68.3 | 162.8 | 0 | 0 | 0 | 109.8 | P240 F245 L306 V307 V308 E312 H313 I314 | P240-I310 HydrophobicContact CB-CG1 4.23Å; F245-I310 HydrophobicContact CE2-CD1 3.93Å; F245-I310 HydrophobicContact CE2-CG1 3.59Å; F245-I310 HydrophobicContact CZ-CD1 3.48Å; F245-I310 VanDerWaalsContact CZ-CD1 3.48Å; F245-I310 HydrophobicContact CZ-CG1 3.51Å; L306-I310 HydrophobicContact CG-CD1 4.07Å; L306-I310 WeakPolarHBondContact O-CD1 3.38Å; L306-I310 WeakPolarHBondContact O-CG1 3.49Å; L306-I310 PolarHBondContact O-N 3.23Å; V307-I310 PolarHBondContact O-N 3.29Å; V308-I310 PolarHBondContact O-N 3.05Å; I310-E312 PolarHBondContact O-N 3.18Å; I310-H313 WeakPolarHBondContact O-CB 3.46Å; I310-H313 PolarHBondContact O-N 2.92Å; I310-H313 VanDerWaalsContact O-N 3.1Å; I310-I314 HydrophobicContact CG2-CD1 3.42Å; I310-I314 VanDerWaalsContact CG2-CD1 3.42Å; I310-I314 HydrophobicContact CG2-CG1 4.03Å; I310-I314 WeakPolarHBondContact O-CG1 3.47Å; I310-I314 PolarHBondContact O-N 3.45Å |
| 311 | W | 81.1 | Confident | 83 | Confident | 114 Ų | 114 | 64.8 Ų | 64.8 | 43% | 0.432 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | -176.9 | -144.1 | -69.4 | 0 | 0 | 0 | 112.5 | V307 V308 T309 H313 I314 N315 F318 L319 | V307-W311 HydrophobicContact CG1-CE3 4.25Å; V307-W311 WeakPolarHBondContact O-CB 3.46Å; V307-W311 PolarHBondContact O-N 3.17Å; V308-W311 WeakPolarHBondContact O-CA 3.37Å; V308-W311 WeakPolarHBondContact O-CB 3.33Å; V308-W311 PolarHBondContact O-N 3.03Å; T309-W311 VanDerWaalsContact C-N 3.32Å; W311-H313 PolarHBondContact O-N 3.32Å; W311-I314 PolarHBondContact O-N 3.24Å; W311-N315 CarbonylContact O-C 3.49Å; W311-N315 PolarHBondContact O-N 3.22Å; W311-F318 HydrophobicContact CZ2-CE1 4.46Å; W311-F318 AromaticContact NE1-CD1 3.47Å; W311-L319 HydrophobicContact CB-CD1 4.33Å; W311-L319 HydrophobicContact CG-CD2 4.26Å |
| 312 | E | 76.7 | Confident | 83 | Confident | 54 Ų | 54 | 68.4 Ų | 68.4 | 25% | 0.252 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56 | -36.6 | 172.3 | -74.6 | 173.1 | -179.8 | 0 | 0 | 111.6 | V308 I310 M316 L319 Y326 | V308-E312 HydrophobicContact CG1-CG 4.46Å; V308-E312 WeakPolarHBondContact O-CG 3.35Å; V308-E312 PolarHBondContact O-N 3.47Å; I310-E312 PolarHBondContact O-N 3.18Å; E312-M316 HydrophobicContact CB-CE 4.06Å; E312-M316 HydrophobicContact CG-CE 4.28Å; E312-L319 HydrophobicContact CB-CD1 4.31Å; E312-L319 HydrophobicContact CG-CD1 3.68Å; E312-Y326 HydrophobicContact CG-CE2 4.19Å; E312-Y326 WeakPolarHBondContact OE1-CE2 3.41Å; E312-Y326 PolarHBondContact OE1-OH 3.11Å |
| 313 | H | 72.8 | Confident | 82.8 | Confident | 85 Ų | 85 | 69.9 Ų | 69.9 | 39% | 0.394 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -79.8 | -43.4 | 179.8 | -168.3 | 80.5 | 0 | 0 | 0 | 113.1 | D239 T309 I310 W311 | D239-H313 VanDerWaalsContact CB-NE2 3.32Å; D239-H313 WeakPolarHBondContact CB-NE2 3.45Å; D239-H313 PolarHBondContact O-CE1 2.94Å; T309-H313 PolarHBondContact O-N 3.44Å; I310-H313 WeakPolarHBondContact O-CB 3.46Å; I310-H313 PolarHBondContact O-N 2.92Å; I310-H313 VanDerWaalsContact O-N 3.1Å; W311-H313 PolarHBondContact O-N 3.32Å |
| 314 | I | 75.7 | Confident | 82.7 | Confident | 121 Ų | 121 | 71 Ų | 71 | 62% | 0.621 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -72.9 | -45.9 | -177.5 | -65.2 | 177.5 | 0 | 0 | 0 | 111.1 | I310 W311 | I310-I314 HydrophobicContact CG2-CD1 3.42Å; I310-I314 VanDerWaalsContact CG2-CD1 3.42Å; I310-I314 HydrophobicContact CG2-CG1 4.03Å; I310-I314 WeakPolarHBondContact O-CG1 3.47Å; I310-I314 PolarHBondContact O-N 3.45Å; W311-I314 PolarHBondContact O-N 3.24Å |
| 315 | N | 79.3 | Confident | 82.6 | Confident | 69 Ų | 69 | 74 Ų | 74 | 37% | 0.369 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -151.8 | 70.4 | -171.3 | -164.3 | -9.2 | 0 | 0 | 0 | 113.1 | W311 K317 F318 | W311-N315 CarbonylContact O-C 3.49Å; W311-N315 PolarHBondContact O-N 3.22Å; N315-K317 PolarHBondContact O-N 3.39Å; N315-K317 PolarHBondContact OD1-N 2.97Å; N315-F318 HydrophobicContact CB-CB 4.23Å; N315-F318 PolarHBondContact O-N 2.96Å; N315-F318 PolarHBondContact OD1-N 2.97Å |
| 316 | M | 78.1 | Confident | 82.7 | Confident | 71 Ų | 71 | 73.1 Ų | 73.1 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -55.3 | -31.6 | 171.5 | -172.7 | 62.9 | 85.9 | 0 | 0 | 112.9 | E312 F318 L319 R320 | E312-M316 HydrophobicContact CB-CE 4.06Å; E312-M316 HydrophobicContact CG-CE 4.28Å; M316-F318 PolarHBondContact O-N 3.33Å; M316-L319 PolarHBondContact O-N 3.48Å; M316-R320 PolarHBondContact O-N 2.89Å |
| 317 | K | 82.8 | Confident | 83 | Confident | 169 Ų | 169 | 72.9 Ų | 72.9 | 74% | 0.735 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.9 | -40.7 | 179.6 | -67.4 | -176 | 179.8 | -178.2 | 0 | 112.1 | N315 L319 R320 N321 | N315-K317 PolarHBondContact O-N 3.39Å; N315-K317 PolarHBondContact OD1-N 2.97Å; K317-L319 VanDerWaalsContact C-N 3.32Å; K317-L319 PolarHBondContact O-N 3.06Å; K317-R320 PolarHBondContact O-N 2.95Å; K317-N321 VanDerWaalsContact O-CG 3.27Å; K317-N321 PolarHBondContact O-N 3.38Å; K317-N321 PolarHBondContact O-OD1 3.33Å |
| 318 | F | 87 | Confident | 83.3 | Confident | 77 Ų | 77 | 73 Ų | 73 | 34% | 0.338 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 177.2 | 178.6 | -90.9 | 0 | 0 | 0 | 111.8 | W311 N315 M316 N321 H322 | W311-F318 HydrophobicContact CZ2-CE1 4.46Å; W311-F318 AromaticContact NE1-CD1 3.47Å; N315-F318 HydrophobicContact CB-CB 4.23Å; N315-F318 PolarHBondContact O-N 2.96Å; N315-F318 PolarHBondContact OD1-N 2.97Å; M316-F318 PolarHBondContact O-N 3.33Å; F318-N321 PolarHBondContact O-N 3Å; F318-H322 AromaticContact CD2-CE1 3.86Å; F318-H322 AromaticContact CD2-ND1 3.92Å; F318-H322 AromaticContact CE1-ND1 3.99Å; F318-H322 AromaticContact CE2-CE1 3.41Å; F318-H322 VanDerWaalsContact CE2-CE1 3.41Å; F318-H322 WeakPolarHBondContact CE2-CE1 3.45Å; F318-H322 AromaticContact CE2-ND1 3.7Å; F318-H322 AromaticContact CZ-CE1 3.75Å; F318-H322 AromaticContact CZ-ND1 3.73Å; F318-H322 PolarHBondContact O-N 3.06Å; F318-H322 PolarHBondContact O-ND1 2.66Å |
| 319 | L | 82.1 | Confident | 83.6 | Confident | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 178.2 | -63.4 | 175.5 | 0 | 0 | 0 | 111.4 | W311 E312 M316 K317 N321 H322 F325 Y326 | W311-L319 HydrophobicContact CB-CD1 4.33Å; W311-L319 HydrophobicContact CG-CD2 4.26Å; E312-L319 HydrophobicContact CB-CD1 4.31Å; E312-L319 HydrophobicContact CG-CD1 3.68Å; M316-L319 PolarHBondContact O-N 3.48Å; K317-L319 VanDerWaalsContact C-N 3.32Å; K317-L319 PolarHBondContact O-N 3.06Å; L319-N321 PolarHBondContact O-N 3.12Å; L319-H322 CarbonylContact O-C 3.57Å; L319-H322 VanDerWaalsContact O-C 3.26Å; L319-H322 PolarHBondContact O-N 2.96Å; L319-H322 VanDerWaalsContact O-N 3.08Å; L319-F325 HydrophobicContact CD2-CD1 4.29Å; L319-F325 HydrophobicContact CD2-CE1 4.27Å; L319-Y326 HydrophobicContact CB-CD2 4.05Å; L319-Y326 HydrophobicContact CB-CG 4.26Å; L319-Y326 HydrophobicContact CD1-CD2 3.93Å; L319-Y326 HydrophobicContact CD1-CE2 3.93Å; L319-Y326 HydrophobicContact CD2-CD2 3.93Å; L319-Y326 HydrophobicContact CG-CD2 4.18Å |
| 320 | R | 80.4 | Confident | 84.1 | Confident | 120 Ų | 120 | 73.6 Ų | 73.6 | 45% | 0.453 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.8 | -34.8 | 174.5 | -176.8 | 177 | -82 | -176.6 | -2.7 | 112.5 | Q5 M316 K317 H322 | Q5-R320 PolarHBondContact O-NH2 3.27Å; M316-R320 PolarHBondContact O-N 2.89Å; K317-R320 PolarHBondContact O-N 2.95Å; R320-H322 VanDerWaalsContact C-N 3.27Å; R320-H322 PolarHBondContact O-N 3.25Å |
| 321 | N | 88.1 | Confident | 84.9 | Confident | 121 Ų | 121 | 71.6 Ų | 71.6 | 65% | 0.647 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -76.6 | -12.5 | 178 | -68.7 | -3.8 | 0 | 0 | 0 | 113.6 | K317 F318 L319 | K317-N321 VanDerWaalsContact O-CG 3.27Å; K317-N321 PolarHBondContact O-N 3.38Å; K317-N321 PolarHBondContact O-OD1 3.33Å; F318-N321 PolarHBondContact O-N 3Å; L319-N321 PolarHBondContact O-N 3.12Å |
| 322 | H | 88.8 | Confident | 85.5 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 40% | 0.398 | 33% | 0.328 | S | S | . | . | trans | -129 | 67.7 | 178.9 | -60 | 83.4 | 0 | 0 | 0 | 110 | F318 L319 R320 E324 F325 Y326 | F318-H322 AromaticContact CD2-CE1 3.86Å; F318-H322 AromaticContact CD2-ND1 3.92Å; F318-H322 AromaticContact CE1-ND1 3.99Å; F318-H322 AromaticContact CE2-CE1 3.41Å; F318-H322 VanDerWaalsContact CE2-CE1 3.41Å; F318-H322 WeakPolarHBondContact CE2-CE1 3.45Å; F318-H322 AromaticContact CE2-ND1 3.7Å; F318-H322 AromaticContact CZ-CE1 3.75Å; F318-H322 AromaticContact CZ-ND1 3.73Å; F318-H322 PolarHBondContact O-N 3.06Å; F318-H322 PolarHBondContact O-ND1 2.66Å; L319-H322 CarbonylContact O-C 3.57Å; L319-H322 VanDerWaalsContact O-C 3.26Å; L319-H322 PolarHBondContact O-N 2.96Å; L319-H322 VanDerWaalsContact O-N 3.08Å; R320-H322 VanDerWaalsContact C-N 3.27Å; R320-H322 PolarHBondContact O-N 3.25Å; H322-E324 VanDerWaalsContact C-N 3.26Å; H322-E324 PolarHBondContact O-N 3.06Å; H322-F325 HydrophobicContact CB-CB 4.18Å; H322-F325 PolarHBondContact O-N 2.92Å; H322-Y326 PolarHBondContact O-N 3.38Å; H322-Y326 VanDerWaalsContact O-N 3.1Å | ||
| 323 | P | 85.5 | Confident | 86.3 | Confident | 43 Ų | 43 | 66 Ų | 66 | 28% | 0.279 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.7 | -36.1 | -174.2 | 24.2 | -33.9 | 0 | 0 | 0 | 112.3 | F325 Y326 S327 | P323-F325 PolarHBondContact O-N 3.21Å; P323-Y326 PolarHBondContact O-N 2.89Å; P323-S327 VanDerWaalsContact O-CB 3.23Å; P323-S327 WeakPolarHBondContact O-CB 3.42Å; P323-S327 PolarHBondContact O-N 3Å |
| 324 | E | 87 | Confident | 87.3 | Confident | 115 Ų | 115 | 62.9 Ų | 62.9 | 54% | 0.537 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.1 | -50 | 179.1 | -29.5 | -166.6 | 139.6 | 0 | 0 | 111.5 | F30 H322 Y326 S327 F328 | F30-E324 HydrophobicContact CE1-CB 4.48Å; F30-E324 HydrophobicContact CE1-CG 4.32Å; F30-E324 HydrophobicContact CE2-CB 3.87Å; F30-E324 HydrophobicContact CE2-CG 4.03Å; F30-E324 HydrophobicContact CZ-CB 3.65Å; F30-E324 HydrophobicContact CZ-CG 3.43Å; F30-E324 VanDerWaalsContact CZ-CG 3.43Å; F30-E324 WeakPolarHBondContact CZ-OE1 3.37Å; H322-E324 VanDerWaalsContact C-N 3.26Å; H322-E324 PolarHBondContact O-N 3.06Å; E324-Y326 VanDerWaalsContact C-N 3.29Å; E324-Y326 PolarHBondContact O-N 2.89Å; E324-S327 PolarHBondContact O-N 2.65Å; E324-F328 WeakPolarHBondContact O-CD2 3.42Å; E324-F328 PolarHBondContact O-N 3.14Å |
| 325 | F | 89.7 | Confident | 88.3 | Confident | 119 Ų | 119 | 58.3 Ų | 58.3 | 52% | 0.522 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 178.3 | 174.3 | -98.9 | 0 | 0 | 0 | 110.8 | L319 H322 P323 A329 | L319-F325 HydrophobicContact CD2-CD1 4.29Å; L319-F325 HydrophobicContact CD2-CE1 4.27Å; H322-F325 HydrophobicContact CB-CB 4.18Å; H322-F325 PolarHBondContact O-N 2.92Å; P323-F325 PolarHBondContact O-N 3.21Å; F325-A329 WeakPolarHBondContact O-CB 3.27Å; F325-A329 PolarHBondContact O-N 3.49Å |
| 326 | Y | 89.5 | Confident | 89 | Confident | 20 Ų | 20 | 57.6 Ų | 57.6 | 8% | 0.078 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.2 | -46.5 | -179.4 | -172.8 | -117.5 | 0 | 0 | 0 | 112 | A2 V308 E312 L319 H322 P323 E324 A329 T330 | A2-Y326 HydrophobicContact CB-CE1 3.43Å; A2-Y326 VanDerWaalsContact CB-CE1 3.43Å; A2-Y326 VanDerWaalsContact CB-CZ 3.45Å; A2-Y326 WeakPolarHBondContact CB-OH 3.38Å; V308-Y326 HydrophobicContact CG1-CE2 4.12Å; E312-Y326 HydrophobicContact CG-CE2 4.19Å; E312-Y326 WeakPolarHBondContact OE1-CE2 3.41Å; E312-Y326 PolarHBondContact OE1-OH 3.11Å; L319-Y326 HydrophobicContact CB-CD2 4.05Å; L319-Y326 HydrophobicContact CB-CG 4.26Å; L319-Y326 HydrophobicContact CD1-CD2 3.93Å; L319-Y326 HydrophobicContact CD1-CE2 3.93Å; L319-Y326 HydrophobicContact CD2-CD2 3.93Å; L319-Y326 HydrophobicContact CG-CD2 4.18Å; H322-Y326 PolarHBondContact O-N 3.38Å; H322-Y326 VanDerWaalsContact O-N 3.1Å; P323-Y326 PolarHBondContact O-N 2.89Å; E324-Y326 VanDerWaalsContact C-N 3.29Å; E324-Y326 PolarHBondContact O-N 2.89Å; Y326-A329 PolarHBondContact O-N 3.05Å; Y326-T330 HydrophobicContact CD2-CG2 4.39Å; Y326-T330 HydrophobicContact CE1-CG2 4.09Å; Y326-T330 HydrophobicContact CE2-CG2 3.85Å; Y326-T330 PolarHBondContact O-N 3.15Å; Y326-T330 PolarHBondContact O-OG1 2.86Å; Y326-T330 VanDerWaalsContact O-OG1 3.13Å |
| 327 | S | 90.1 | Very high | 89.8 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.5 | -49.9 | 178.2 | -168.8 | 0 | 0 | 0 | 0 | 111.6 | K34 P323 E324 A329 T330 D331 | K34-S327 WeakPolarHBondContact CE-OG 3.33Å; K34-S327 PolarHBondContact NZ-OG 3.41Å; P323-S327 VanDerWaalsContact O-CB 3.23Å; P323-S327 WeakPolarHBondContact O-CB 3.42Å; P323-S327 PolarHBondContact O-N 3Å; E324-S327 PolarHBondContact O-N 2.65Å; S327-A329 PolarHBondContact O-N 3.06Å; S327-T330 PolarHBondContact O-N 3.06Å; S327-T330 PolarHBondContact O-OG1 3.25Å; S327-D331 VanDerWaalsContact O-CG 3.22Å; S327-D331 PolarHBondContact O-N 2.77Å |
| 328 | F | 92.5 | Very high | 90.4 | Very high | 64 Ų | 64 | 47.8 Ų | 47.8 | 28% | 0.281 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.7 | -34.1 | 177.3 | -73.3 | -58.1 | 0 | 0 | 0 | 113.2 | F30 V33 L37 E324 D331 A332 | F30-F328 HydrophobicContact CB-CE1 4.49Å; F30-F328 HydrophobicContact CB-CZ 3.88Å; F30-F328 HydrophobicContact CD1-CE2 4.34Å; F30-F328 HydrophobicContact CD1-CZ 4.24Å; F30-F328 HydrophobicContact CD2-CE2 4.21Å; F30-F328 HydrophobicContact CD2-CZ 4.23Å; F30-F328 HydrophobicContact CG-CE2 4.11Å; F30-F328 AromaticContact CG-CZ 3.82Å; F30-F328 HydrophobicContact CG-CZ 3.82Å; V33-F328 HydrophobicContact CB-CE1 4.21Å; V33-F328 HydrophobicContact CB-CZ 4.23Å; V33-F328 HydrophobicContact CG1-CE1 3.61Å; V33-F328 HydrophobicContact CG1-CZ 3.89Å; L37-F328 HydrophobicContact CD2-CD1 4.43Å; E324-F328 WeakPolarHBondContact O-CD2 3.42Å; E324-F328 PolarHBondContact O-N 3.14Å; F328-D331 PolarHBondContact O-N 3.5Å; F328-A332 VanDerWaalsContact O-CB 3.26Å; F328-A332 WeakPolarHBondContact O-CB 3.4Å; F328-A332 PolarHBondContact O-N 3.23Å |
| 329 | A | 92.5 | Very high | 90.8 | Very high | 9 Ų | 9 | 46 Ų | 46 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V308 F325 Y326 S327 A332 V333 | V308-A329 HydrophobicContact CG2-CB 3.95Å; F325-A329 WeakPolarHBondContact O-CB 3.27Å; F325-A329 PolarHBondContact O-N 3.49Å; Y326-A329 PolarHBondContact O-N 3.05Å; S327-A329 PolarHBondContact O-N 3.06Å; A329-A332 PolarHBondContact O-N 3.17Å; A329-V333 WeakPolarHBondContact O-CG2 3.49Å; A329-V333 PolarHBondContact O-N 3.4Å |
| 330 | T | 90.5 | Very high | 91.3 | Very high | 27 Ų | 27 | 46.4 Ų | 46.4 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.5 | -39.3 | 176.4 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | Y326 S327 V333 S334 | Y326-T330 HydrophobicContact CD2-CG2 4.39Å; Y326-T330 HydrophobicContact CE1-CG2 4.09Å; Y326-T330 HydrophobicContact CE2-CG2 3.85Å; Y326-T330 PolarHBondContact O-N 3.15Å; Y326-T330 PolarHBondContact O-OG1 2.86Å; Y326-T330 VanDerWaalsContact O-OG1 3.13Å; S327-T330 PolarHBondContact O-N 3.06Å; S327-T330 PolarHBondContact O-OG1 3.25Å; T330-V333 PolarHBondContact O-N 2.62Å; T330-S334 PolarHBondContact O-N 2.7Å; T330-S334 PolarHBondContact O-OG 3.48Å |
| 331 | D | 93.2 | Very high | 92 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.032 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 174.8 | -68.9 | -20.8 | 0 | 0 | 0 | 111.3 | K34 I38 S327 F328 V333 S334 L335 | K34-D331 WeakPolarHBondContact CE-OD2 3.24Å; K34-D331 IonicContact NZ-OD1 2.62Å; K34-D331 PolarHBondContact NZ-OD1 3Å; K34-D331 IonicContact NZ-OD2 3.46Å; K34-D331 PolarHBondContact NZ-OD2 3.41Å; I38-D331 HydrophobicContact CD1-CB 4.26Å; S327-D331 VanDerWaalsContact O-CG 3.22Å; S327-D331 PolarHBondContact O-N 2.77Å; F328-D331 PolarHBondContact O-N 3.5Å; D331-V333 PolarHBondContact O-N 2.83Å; D331-S334 WeakPolarHBondContact O-CB 3.05Å; D331-S334 PolarHBondContact O-N 3.46Å; D331-L335 WeakPolarHBondContact O-CG 3.36Å; D331-L335 PolarHBondContact O-N 3.34Å |
| 332 | A | 94.3 | Very high | 92.3 | Very high | 33 Ų | 33 | 35.1 Ų | 35.1 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.4 | -40.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L304 F328 A329 S334 L335 L336 | L304-A332 HydrophobicContact CD2-CB 3.6Å; F328-A332 VanDerWaalsContact O-CB 3.26Å; F328-A332 WeakPolarHBondContact O-CB 3.4Å; F328-A332 PolarHBondContact O-N 3.23Å; A329-A332 PolarHBondContact O-N 3.17Å; A332-S334 VanDerWaalsContact C-N 3.3Å; A332-S334 PolarHBondContact O-N 2.98Å; A332-L335 PolarHBondContact O-N 2.86Å; A332-L336 WeakPolarHBondContact O-CB 3.39Å; A332-L336 VanDerWaalsContact O-CG 3.25Å; A332-L336 WeakPolarHBondContact O-CG 3.5Å; A332-L336 PolarHBondContact O-N 3.44Å |
| 333 | V | 93.2 | Very high | 92.5 | Very high | 18 Ų | 18 | 34 Ų | 34 | 11% | 0.109 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 173 | 167.6 | 0 | 0 | 0 | 0 | 110.9 | L304 N305 V308 A329 T330 D331 L336 T337 | L304-V333 HydrophobicContact CB-CG2 4.29Å; L304-V333 HydrophobicContact CD2-CG2 3.95Å; L304-V333 HydrophobicContact CG-CG2 3.79Å; N305-V333 HydrophobicContact CB-CG1 3.84Å; N305-V333 HydrophobicContact CB-CG2 4.22Å; V308-V333 HydrophobicContact CG2-CG2 4.24Å; A329-V333 WeakPolarHBondContact O-CG2 3.49Å; A329-V333 PolarHBondContact O-N 3.4Å; T330-V333 PolarHBondContact O-N 2.62Å; D331-V333 PolarHBondContact O-N 2.83Å; V333-L336 PolarHBondContact O-N 3.2Å; V333-T337 WeakPolarHBondContact O-CB 3.42Å; V333-T337 PolarHBondContact O-N 3.06Å; V333-T337 PolarHBondContact O-OG1 2.65Å |
| 334 | S | 94 | Very high | 92.7 | Very high | 19 Ų | 19 | 31.9 Ų | 31.9 | 13% | 0.133 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 178.5 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | F91 T330 D331 A332 T337 I338 | F91-S334 WeakPolarHBondContact CZ-OG 3.36Å; T330-S334 PolarHBondContact O-N 2.7Å; T330-S334 PolarHBondContact O-OG 3.48Å; D331-S334 WeakPolarHBondContact O-CB 3.05Å; D331-S334 PolarHBondContact O-N 3.46Å; A332-S334 VanDerWaalsContact C-N 3.3Å; A332-S334 PolarHBondContact O-N 2.98Å; S334-T337 WeakPolarHBondContact O-CB 3.39Å; S334-T337 PolarHBondContact O-N 3.23Å; S334-I338 PolarHBondContact O-N 3.45Å; S334-I338 VanDerWaalsContact O-N 3.12Å |
| 335 | L | 95.4 | Very high | 92.9 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 13% | 0.131 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 175.2 | -73.4 | 175.6 | 0 | 0 | 0 | 112.5 | L37 I45 D331 A332 T337 I338 T339 | L37-L335 HydrophobicContact CD1-CD1 3.7Å; L37-L335 HydrophobicContact CD2-CD1 4.37Å; L37-L335 HydrophobicContact CG-CD1 3.73Å; I45-L335 HydrophobicContact CD1-CD2 4.49Å; D331-L335 WeakPolarHBondContact O-CG 3.36Å; D331-L335 PolarHBondContact O-N 3.34Å; A332-L335 PolarHBondContact O-N 2.86Å; L335-T337 VanDerWaalsContact C-N 3.28Å; L335-T337 PolarHBondContact O-N 3.37Å; L335-I338 HydrophobicContact CD2-CD1 3.96Å; L335-I338 WeakPolarHBondContact O-CG1 3.48Å; L335-I338 PolarHBondContact O-N 2.94Å; L335-T339 VanDerWaalsContact O-CB 3.27Å; L335-T339 WeakPolarHBondContact O-CB 3.38Å; L335-T339 PolarHBondContact O-N 3.41Å; L335-T339 PolarHBondContact O-OG1 3.07Å |
| 336 | L | 95 | Very high | 92.9 | Very high | 55 Ų | 55 | 24 Ų | 24 | 29% | 0.288 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -64.2 | -35.4 | 175.3 | -74.7 | 171.4 | 0 | 0 | 0 | 111.8 | L304 A332 V333 T339 N340 | L304-L336 HydrophobicContact CB-CD1 3.79Å; L304-L336 HydrophobicContact CD2-CD1 3.79Å; L304-L336 HydrophobicContact CG-CD1 4.45Å; A332-L336 WeakPolarHBondContact O-CB 3.39Å; A332-L336 VanDerWaalsContact O-CG 3.25Å; A332-L336 WeakPolarHBondContact O-CG 3.5Å; A332-L336 PolarHBondContact O-N 3.44Å; V333-L336 PolarHBondContact O-N 3.2Å; L336-T339 PolarHBondContact O-N 3.08Å; L336-N340 WeakPolarHBondContact O-CB 3.42Å; L336-N340 PolarHBondContact O-N 3.46Å |
| 337 | T | 93.5 | Very high | 93 | Very high | 20 Ų | 20 | 23.8 Ų | 23.8 | 12% | 0.123 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.6 | -50.7 | 177 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | I83 F87 V333 S334 L335 T339 N340 A341 | I83-T337 HydrophobicContact CG2-CG2 4.11Å; F87-T337 HydrophobicContact CE1-CG2 3.98Å; F87-T337 HydrophobicContact CZ-CG2 3.85Å; V333-T337 WeakPolarHBondContact O-CB 3.42Å; V333-T337 PolarHBondContact O-N 3.06Å; V333-T337 PolarHBondContact O-OG1 2.65Å; S334-T337 WeakPolarHBondContact O-CB 3.39Å; S334-T337 PolarHBondContact O-N 3.23Å; L335-T337 VanDerWaalsContact C-N 3.28Å; L335-T337 PolarHBondContact O-N 3.37Å; T337-T339 VanDerWaalsContact C-N 3.3Å; T337-T339 PolarHBondContact O-N 3.34Å; T337-N340 PolarHBondContact O-N 3.4Å; T337-A341 PolarHBondContact O-N 3.17Å; T337-A341 VanDerWaalsContact O-N 3.14Å |
| 338 | I | 95.4 | Very high | 92.9 | Very high | 13 Ų | 13 | 23.4 Ų | 23.4 | 7% | 0.067 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.7 | -30.3 | 176.8 | 62.7 | 169.9 | 0 | 0 | 0 | 112.2 | I45 L84 F87 S334 L335 A341 S342 | I45-I338 HydrophobicContact CB-CD1 4.18Å; I45-I338 HydrophobicContact CG2-CB 4.45Å; I45-I338 HydrophobicContact CG2-CD1 4Å; I45-I338 HydrophobicContact CG2-CG1 3.93Å; L84-I338 HydrophobicContact CD2-CB 3.86Å; L84-I338 HydrophobicContact CD2-CG2 4.22Å; F87-I338 HydrophobicContact CB-CG2 3.61Å; F87-I338 HydrophobicContact CD1-CG2 3.62Å; F87-I338 HydrophobicContact CG-CG2 3.78Å; S334-I338 PolarHBondContact O-N 3.45Å; S334-I338 VanDerWaalsContact O-N 3.12Å; L335-I338 HydrophobicContact CD2-CD1 3.96Å; L335-I338 WeakPolarHBondContact O-CG1 3.48Å; L335-I338 PolarHBondContact O-N 2.94Å; I338-A341 PolarHBondContact O-N 3.46Å; I338-S342 WeakPolarHBondContact O-CB 3.35Å; I338-S342 PolarHBondContact O-N 2.98Å; I338-S342 PolarHBondContact O-OG 3.01Å |
| 339 | T | 95.5 | Very high | 92.6 | Very high | 41 Ų | 41 | 24.8 Ų | 24.8 | 25% | 0.252 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -64.8 | -46.1 | 174.5 | -60.9 | 0 | 0 | 0 | 0 | 110.6 | L335 L336 T337 A341 S342 L343 | L335-T339 VanDerWaalsContact O-CB 3.27Å; L335-T339 WeakPolarHBondContact O-CB 3.38Å; L335-T339 PolarHBondContact O-N 3.41Å; L335-T339 PolarHBondContact O-OG1 3.07Å; L336-T339 PolarHBondContact O-N 3.08Å; T337-T339 VanDerWaalsContact C-N 3.3Å; T337-T339 PolarHBondContact O-N 3.34Å; T339-A341 VanDerWaalsContact C-N 3.32Å; T339-A341 PolarHBondContact O-N 3.19Å; T339-S342 PolarHBondContact O-N 2.97Å; T339-L343 HydrophobicContact CG2-CD1 3.96Å; T339-L343 HydrophobicContact CG2-CG 4.34Å; T339-L343 VanDerWaalsContact O-CG 3.3Å; T339-L343 WeakPolarHBondContact O-CG 3.42Å; T339-L343 PolarHBondContact O-N 3.19Å; T339-L343 VanDerWaalsContact O-N 3.1Å |
| 340 | N | 93 | Very high | 92.3 | Very high | 11 Ų | 11 | 27.8 Ų | 27.8 | 6% | 0.059 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59 | -44.2 | 175.6 | -171.3 | 35.3 | 0 | 0 | 0 | 111.9 | S297 T301 L336 T337 S342 L343 | S297-N340 PolarHBondContact OG-OD1 3Å; S297-N340 VanDerWaalsContact OG-OD1 3.09Å; T301-N340 HydrophobicContact CG2-CB 3.84Å; T301-N340 WeakPolarHBondContact OG1-CB 3.34Å; T301-N340 VanDerWaalsContact OG1-CG 3.26Å; L336-N340 WeakPolarHBondContact O-CB 3.42Å; L336-N340 PolarHBondContact O-N 3.46Å; T337-N340 PolarHBondContact O-N 3.4Å; N340-S342 PolarHBondContact O-N 3.42Å; N340-L343 PolarHBondContact O-N 3.33Å |
| 341 | A | 95.1 | Very high | 92 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.3 | -34.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N53 D80 L84 T337 I338 T339 R344 | N53-A341 PolarHBondContact ND2-O 3.28Å; D80-A341 HydrophobicContact CB-CB 3.9Å; L84-A341 HydrophobicContact CD2-CB 4.23Å; L84-A341 HydrophobicContact CG-CB 4.18Å; T337-A341 PolarHBondContact O-N 3.17Å; T337-A341 VanDerWaalsContact O-N 3.14Å; I338-A341 PolarHBondContact O-N 3.46Å; T339-A341 VanDerWaalsContact C-N 3.32Å; T339-A341 PolarHBondContact O-N 3.19Å; A341-R344 WeakPolarHBondContact O-CG 3.28Å |
| 342 | S | 95 | Very high | 91.5 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -79.5 | -22.3 | -177.3 | -56.5 | 0 | 0 | 0 | 0 | 114.5 | I45 G49 T52 I338 T339 N340 R344 | I45-S342 WeakPolarHBondContact CG2-OG 3.23Å; I45-S342 PolarHBondContact O-OG 3.28Å; G49-S342 VanDerWaalsContact CA-OG 3.27Å; G49-S342 WeakPolarHBondContact CA-OG 3.45Å; T52-S342 PolarHBondContact OG1-O 2.68Å; I338-S342 WeakPolarHBondContact O-CB 3.35Å; I338-S342 PolarHBondContact O-N 2.98Å; I338-S342 PolarHBondContact O-OG 3.01Å; T339-S342 PolarHBondContact O-N 2.97Å; N340-S342 PolarHBondContact O-N 3.42Å; S342-R344 VanDerWaalsContact C-N 3.34Å; S342-R344 PolarHBondContact O-N 3.41Å |
| 343 | L | 92.7 | Very high | 90.8 | Very high | 61 Ų | 61 | 29 Ų | 29 | 32% | 0.319 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -0.2 | -174.1 | -71.9 | 172.9 | 0 | 0 | 0 | 114.7 | T339 N340 L345 P346 I347 | T339-L343 HydrophobicContact CG2-CD1 3.96Å; T339-L343 HydrophobicContact CG2-CG 4.34Å; T339-L343 VanDerWaalsContact O-CG 3.3Å; T339-L343 WeakPolarHBondContact O-CG 3.42Å; T339-L343 PolarHBondContact O-N 3.19Å; T339-L343 VanDerWaalsContact O-N 3.1Å; N340-L343 PolarHBondContact O-N 3.33Å; L343-L345 PolarHBondContact O-N 3.5Å; L343-P346 VanDerWaalsContact O-CD 3.31Å; L343-P346 WeakPolarHBondContact O-CD 3.5Å; L343-I347 HydrophobicContact CB-CD1 3.91Å; L343-I347 HydrophobicContact CB-CG1 4.46Å; L343-I347 WeakPolarHBondContact O-CB 3.4Å; L343-I347 WeakPolarHBondContact O-CD1 3.22Å; L343-I347 WeakPolarHBondContact O-CG1 3.4Å; L343-I347 PolarHBondContact O-N 3.41Å |
| 344 | R | 89.7 | Confident | 90 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.1 | -53.6 | -175.6 | -60.2 | -53.3 | -171.5 | -171.6 | 0.5 | 113.7 | L56 D80 S127 A341 S342 I347 Y348 | L56-R344 HydrophobicContact CD2-CB 3.95Å; D80-R344 IonicContact OD1-NH2 2.65Å; D80-R344 VanDerWaalsContact OD2-CG 3.26Å; D80-R344 WeakPolarHBondContact OD2-CG 3.22Å; D80-R344 IonicContact OD2-CZ 3.51Å; D80-R344 IonicContact OD2-NE 2.75Å; D80-R344 PolarHBondContact OD2-NE 3.39Å; D80-R344 IonicContact OD2-NH2 3.66Å; D80-R344 PolarHBondContact OD2-NH2 3.27Å; S127-R344 PolarHBondContact OG-NH2 2.88Å; A341-R344 WeakPolarHBondContact O-CG 3.28Å; S342-R344 VanDerWaalsContact C-N 3.34Å; S342-R344 PolarHBondContact O-N 3.41Å; R344-I347 PolarHBondContact O-N 2.92Å; R344-Y348 HydrophobicContact CB-CE2 4.18Å; R344-Y348 WeakPolarHBondContact O-CB 2.95Å; R344-Y348 WeakPolarHBondContact O-CD1 3.41Å; R344-Y348 PolarHBondContact O-N 3.46Å |
| 345 | L | 90 | Very high | 89.4 | Confident | 19 Ų | 19 | 28.9 Ų | 28.9 | 10% | 0.099 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.9 | -47.7 | -179.3 | -178.8 | 67.8 | 0 | 0 | 0 | 112 | T52 L56 L343 I347 Y348 Y349 L359 | T52-L345 HydrophobicContact CG2-CB 4.21Å; T52-L345 HydrophobicContact CG2-CD2 4.09Å; L56-L345 HydrophobicContact CB-CD1 4.14Å; L56-L345 HydrophobicContact CD1-CD1 4.02Å; L56-L345 HydrophobicContact CD2-CB 4.36Å; L56-L345 HydrophobicContact CG-CD1 4.48Å; L343-L345 PolarHBondContact O-N 3.5Å; L345-I347 VanDerWaalsContact C-N 3.3Å; L345-I347 PolarHBondContact O-N 2.86Å; L345-Y348 PolarHBondContact O-N 3.23Å; L345-Y349 VanDerWaalsContact O-CB 3.22Å; L345-Y349 WeakPolarHBondContact O-CB 3.36Å; L345-Y349 PolarHBondContact O-N 3.42Å; L345-L359 HydrophobicContact CD1-CD1 3.61Å; L345-L359 HydrophobicContact CD1-CD2 4.12Å |
| 346 | P | 91.3 | Very high | 89 | Confident | 50 Ų | 50 | 32 Ų | 32 | 33% | 0.325 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -51 | -47.5 | 172.3 | -29.3 | 33.7 | 0 | 0 | 0 | 113.3 | F48 L343 Y349 A350 | F48-P346 HydrophobicContact CE1-CG 4.29Å; F48-P346 HydrophobicContact CZ-CG 3.91Å; L343-P346 VanDerWaalsContact O-CD 3.31Å; L343-P346 WeakPolarHBondContact O-CD 3.5Å; P346-Y349 PolarHBondContact O-N 3.21Å; P346-A350 WeakPolarHBondContact O-CB 3.49Å; P346-A350 PolarHBondContact O-N 2.85Å |
| 347 | I | 90.3 | Very high | 88.5 | Confident | 15 Ų | 15 | 32 Ų | 32 | 8% | 0.077 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 179.6 | -70.9 | 165.7 | 0 | 0 | 0 | 111 | S293 I294 S297 L343 R344 L345 A350 S351 | S293-I347 VanDerWaalsContact OG-CG2 3.27Å; S293-I347 WeakPolarHBondContact OG-CG2 3.33Å; I294-I347 HydrophobicContact CG1-CG2 4.19Å; S297-I347 WeakPolarHBondContact OG-CD1 3.48Å; L343-I347 HydrophobicContact CB-CD1 3.91Å; L343-I347 HydrophobicContact CB-CG1 4.46Å; L343-I347 WeakPolarHBondContact O-CB 3.4Å; L343-I347 WeakPolarHBondContact O-CD1 3.22Å; L343-I347 WeakPolarHBondContact O-CG1 3.4Å; L343-I347 PolarHBondContact O-N 3.41Å; R344-I347 PolarHBondContact O-N 2.92Å; L345-I347 VanDerWaalsContact C-N 3.3Å; L345-I347 PolarHBondContact O-N 2.86Å; I347-A350 PolarHBondContact O-N 2.88Å; I347-S351 WeakPolarHBondContact O-CB 3.41Å; I347-S351 PolarHBondContact O-N 3.37Å; I347-S351 PolarHBondContact O-OG 3.04Å |
| 348 | Y | 88.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72 | -36.2 | -177.3 | -64.8 | -6.6 | 0 | 0 | 0 | 112.6 | L56 L73 L76 M290 I294 R344 L345 S351 N352 I355 | L56-Y348 HydrophobicContact CD1-CD2 3.83Å; L56-Y348 HydrophobicContact CD2-CD2 3.25Å; L56-Y348 HydrophobicContact CD2-CE2 3.48Å; L56-Y348 VanDerWaalsContact CD2-CE2 3.48Å; L56-Y348 HydrophobicContact CD2-CG 4.37Å; L56-Y348 HydrophobicContact CG-CD2 4.06Å; L56-Y348 HydrophobicContact CG-CE2 4.44Å; L73-Y348 HydrophobicContact CB-CE2 4.01Å; L73-Y348 HydrophobicContact CD2-CD1 4.1Å; L73-Y348 HydrophobicContact CD2-CD2 3.84Å; L73-Y348 HydrophobicContact CD2-CE1 3.74Å; L73-Y348 HydrophobicContact CD2-CE2 3.41Å; L73-Y348 VanDerWaalsContact CD2-CE2 3.41Å; L73-Y348 HydrophobicContact CD2-CG 4.19Å; L73-Y348 HydrophobicContact CG-CE2 3.94Å; L76-Y348 WeakPolarHBondContact CD2-OH 3.33Å; M290-Y348 HydrophobicContact CG-CD1 3.74Å; M290-Y348 HydrophobicContact CG-CE1 4.19Å; M290-Y348 HydrophobicContact SD-CD1 3.92Å; M290-Y348 HydrophobicContact SD-CE1 4.43Å; M290-Y348 HydrophobicContact SD-CG 4.31Å; I294-Y348 HydrophobicContact CD1-CD1 4.35Å; I294-Y348 HydrophobicContact CD1-CE1 3.42Å; I294-Y348 VanDerWaalsContact CD1-CE1 3.42Å; I294-Y348 HydrophobicContact CG1-CD1 4.37Å; I294-Y348 HydrophobicContact CG1-CE1 3.46Å; I294-Y348 VanDerWaalsContact CG1-CE1 3.46Å; R344-Y348 HydrophobicContact CB-CE2 4.18Å; R344-Y348 WeakPolarHBondContact O-CB 2.95Å; R344-Y348 WeakPolarHBondContact O-CD1 3.41Å; R344-Y348 PolarHBondContact O-N 3.46Å; L345-Y348 PolarHBondContact O-N 3.23Å; Y348-S351 PolarHBondContact O-N 3.44Å; Y348-N352 WeakPolarHBondContact O-CA 3.42Å; Y348-N352 WeakPolarHBondContact O-CB 3.32Å; Y348-N352 PolarHBondContact O-N 3.3Å; Y348-I355 HydrophobicContact CD2-CD1 4.2Å; Y348-I355 HydrophobicContact CG-CD1 4.1Å |
| 349 | Y | 87.6 | Confident | 87.6 | Confident | 93 Ų | 93 | 31.8 Ų | 31.8 | 37% | 0.365 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.8 | -48.2 | 173.7 | -172.9 | -88.8 | 0 | 0 | 0 | 110.6 | L345 P346 S351 R356 L359 | L345-Y349 VanDerWaalsContact O-CB 3.22Å; L345-Y349 WeakPolarHBondContact O-CB 3.36Å; L345-Y349 PolarHBondContact O-N 3.42Å; P346-Y349 PolarHBondContact O-N 3.21Å; Y349-S351 VanDerWaalsContact C-N 3.29Å; Y349-S351 PolarHBondContact O-N 3.07Å; Y349-R356 HydrophobicContact CD1-CG 4.3Å; Y349-R356 HydrophobicContact CD2-CB 4.48Å; Y349-R356 HydrophobicContact CD2-CG 3.69Å; Y349-R356 HydrophobicContact CE1-CG 4.4Å; Y349-R356 HydrophobicContact CE2-CB 4.36Å; Y349-R356 HydrophobicContact CE2-CG 3.84Å; Y349-R356 HydrophobicContact CG-CG 3.95Å; Y349-R356 WeakPolarHBondContact O-CD 3.44Å; Y349-R356 WeakPolarHBondContact O-CG 3.22Å; Y349-R356 PolarHBondContact O-NE 2.8Å; Y349-L359 HydrophobicContact CD2-CD2 3.8Å; Y349-L359 HydrophobicContact CE2-CD2 4.12Å |
| 350 | A | 86.4 | Confident | 87.2 | Confident | 72 Ų | 72 | 35.3 Ų | 35.3 | 60% | 0.595 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -63.9 | -37.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P346 I347 | P346-A350 WeakPolarHBondContact O-CB 3.49Å; P346-A350 PolarHBondContact O-N 2.85Å; I347-A350 PolarHBondContact O-N 2.88Å |
| 351 | S | 83.4 | Confident | 86.7 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 11% | 0.105 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -99.5 | -24.1 | -166.7 | -51.6 | 0 | 0 | 0 | 0 | 115 | T286 I347 Y348 Y349 | T286-S351 WeakPolarHBondContact CG2-O 3.34Å; T286-S351 VanDerWaalsContact O-O 3.12Å; I347-S351 WeakPolarHBondContact O-CB 3.41Å; I347-S351 PolarHBondContact O-N 3.37Å; I347-S351 PolarHBondContact O-OG 3.04Å; Y348-S351 PolarHBondContact O-N 3.44Å; Y349-S351 VanDerWaalsContact C-N 3.29Å; Y349-S351 PolarHBondContact O-N 3.07Å |
| 352 | N | 82.4 | Confident | 86 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | trans | -122.4 | 109.9 | -171.5 | -160.7 | -39.1 | 0 | 0 | 0 | 114.2 | Y69 T286 M290 Y348 K354 I355 R356 | Y69-N352 PolarHBondContact OH-ND2 3.33Å; T286-N352 VanDerWaalsContact CG2-CA 3.44Å; T286-N352 HydrophobicContact CG2-CB 4.28Å; M290-N352 HydrophobicContact CB-CB 4.49Å; M290-N352 HydrophobicContact CG-CB 4.45Å; M290-N352 HydrophobicContact SD-CB 3.71Å; M290-N352 PolarHBondContact SD-ND2 2.77Å; Y348-N352 WeakPolarHBondContact O-CA 3.42Å; Y348-N352 WeakPolarHBondContact O-CB 3.32Å; Y348-N352 PolarHBondContact O-N 3.3Å; N352-K354 PolarHBondContact O-N 2.99Å; N352-K354 WeakPolarHBondContact OD1-CB 3.33Å; N352-K354 PolarHBondContact OD1-N 3Å; N352-I355 HydrophobicContact CB-CB 4.13Å; N352-I355 HydrophobicContact CB-CD1 3.88Å; N352-I355 HydrophobicContact CB-CG1 3.99Å; N352-I355 PolarHBondContact O-N 3.32Å; N352-R356 WeakPolarHBondContact O-CG 3.47Å; N352-R356 PolarHBondContact O-N 3.37Å | ||
| 353 | W | 79.7 | Confident | 85.2 | Confident | 75 Ų | 75 | 41.7 Ų | 41.7 | 28% | 0.284 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.4 | -37.6 | 179.4 | 81.9 | -104 | 0 | 0 | 0 | 113.2 | H282 T286 I355 R356 V357 | H282-W353 AromaticContact CE1-CD1 3.83Å; H282-W353 AromaticContact ND1-CD1 3.87Å; T286-W353 HydrophobicContact CG2-CB 4.29Å; T286-W353 HydrophobicContact CG2-CG 4.24Å; T286-W353 VanDerWaalsContact CG2-N 3.27Å; W353-I355 VanDerWaalsContact C-N 3.34Å; W353-I355 PolarHBondContact O-N 2.81Å; W353-R356 WeakPolarHBondContact O-CB 3.48Å; W353-R356 PolarHBondContact O-N 2.89Å; W353-V357 HydrophobicContact CE3-CG2 3.83Å; W353-V357 HydrophobicContact CZ3-CG2 4.09Å; W353-V357 WeakPolarHBondContact O-CG2 3.06Å; W353-V357 PolarHBondContact O-N 3.24Å |
| 354 | K | 77.2 | Confident | 84.5 | Confident | 34 Ų | 34 | 47.4 Ų | 47.4 | 15% | 0.148 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 179.4 | -65 | -176.5 | -175.6 | 175.1 | 0 | 110.3 | S283 N352 V357 E358 E381 | S283-K354 WeakPolarHBondContact OG-CE 3.44Å; S283-K354 PolarHBondContact OG-NZ 3.11Å; N352-K354 PolarHBondContact O-N 2.99Å; N352-K354 WeakPolarHBondContact OD1-CB 3.33Å; N352-K354 PolarHBondContact OD1-N 3Å; K354-V357 PolarHBondContact O-N 2.98Å; K354-E358 WeakPolarHBondContact O-CG 3.35Å; K354-E358 PolarHBondContact O-N 3.49Å; K354-E358 VanDerWaalsContact O-N 3.11Å; K354-E381 IonicContact NZ-OE1 3.2Å; K354-E381 PolarHBondContact NZ-OE1 3.04Å; K354-E381 IonicContact NZ-OE2 3.43Å; K354-E381 PolarHBondContact NZ-OE2 3.36Å |
| 355 | I | 81.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 176.4 | -61.6 | 178.6 | 0 | 0 | 0 | 110.3 | L56 L60 L70 L73 M290 Y348 N352 W353 V357 E358 L359 | L56-I355 HydrophobicContact CD1-CG2 4.1Å; L60-I355 HydrophobicContact CD2-CD1 4.4Å; L70-I355 HydrophobicContact CD1-CG1 4.48Å; L70-I355 HydrophobicContact CD2-CD1 4.18Å; L73-I355 HydrophobicContact CD2-CD1 4.44Å; M290-I355 HydrophobicContact SD-CD1 3.92Å; Y348-I355 HydrophobicContact CD2-CD1 4.2Å; Y348-I355 HydrophobicContact CG-CD1 4.1Å; N352-I355 HydrophobicContact CB-CB 4.13Å; N352-I355 HydrophobicContact CB-CD1 3.88Å; N352-I355 HydrophobicContact CB-CG1 3.99Å; N352-I355 PolarHBondContact O-N 3.32Å; W353-I355 VanDerWaalsContact C-N 3.34Å; W353-I355 PolarHBondContact O-N 2.81Å; I355-V357 VanDerWaalsContact C-N 3.34Å; I355-V357 PolarHBondContact O-N 2.96Å; I355-E358 PolarHBondContact O-N 3.37Å; I355-L359 VanDerWaalsContact O-CB 3.28Å; I355-L359 WeakPolarHBondContact O-CB 3.35Å; I355-L359 PolarHBondContact O-N 3.07Å |
| 356 | R | 86.7 | Confident | 82.6 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.8 | -45 | 176.3 | -75.1 | -173.6 | -79.1 | 179.3 | 6.4 | 113 | Y349 N352 W353 K360 | Y349-R356 HydrophobicContact CD1-CG 4.3Å; Y349-R356 HydrophobicContact CD2-CB 4.48Å; Y349-R356 HydrophobicContact CD2-CG 3.69Å; Y349-R356 HydrophobicContact CE1-CG 4.4Å; Y349-R356 HydrophobicContact CE2-CB 4.36Å; Y349-R356 HydrophobicContact CE2-CG 3.84Å; Y349-R356 HydrophobicContact CG-CG 3.95Å; Y349-R356 WeakPolarHBondContact O-CD 3.44Å; Y349-R356 WeakPolarHBondContact O-CG 3.22Å; Y349-R356 PolarHBondContact O-NE 2.8Å; N352-R356 WeakPolarHBondContact O-CG 3.47Å; N352-R356 PolarHBondContact O-N 3.37Å; W353-R356 WeakPolarHBondContact O-CB 3.48Å; W353-R356 PolarHBondContact O-N 2.89Å; R356-K360 WeakPolarHBondContact O-CB 3.33Å; R356-K360 VanDerWaalsContact O-CG 3.32Å; R356-K360 WeakPolarHBondContact O-CG 3.49Å; R356-K360 PolarHBondContact O-N 3.21Å |
| 357 | V | 84.2 | Confident | 81.1 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 34% | 0.339 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.3 | -46.6 | -179.9 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | W353 K354 I355 K360 R361 V378 | W353-V357 HydrophobicContact CE3-CG2 3.83Å; W353-V357 HydrophobicContact CZ3-CG2 4.09Å; W353-V357 WeakPolarHBondContact O-CG2 3.06Å; W353-V357 PolarHBondContact O-N 3.24Å; K354-V357 PolarHBondContact O-N 2.98Å; I355-V357 VanDerWaalsContact C-N 3.34Å; I355-V357 PolarHBondContact O-N 2.96Å; V357-K360 PolarHBondContact O-N 2.97Å; V357-R361 WeakPolarHBondContact O-CB 3.25Å; V357-R361 PolarHBondContact O-N 3.27Å; V357-V378 HydrophobicContact CG1-CG2 4.42Å |
| 358 | E | 85.1 | Confident | 79 | Confident | 6 Ų | 6 | 61.7 Ų | 61.7 | 3% | 0.028 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.6 | -33.3 | -178.5 | -66.1 | -68.7 | 167.7 | 0 | 0 | 112.7 | V59 I65 K354 I355 R361 C362 | V59-E358 HydrophobicContact CG1-CB 3.75Å; I65-E358 HydrophobicContact CD1-CB 3.75Å; I65-E358 HydrophobicContact CD1-CG 3.56Å; I65-E358 HydrophobicContact CG1-CG 4.34Å; K354-E358 WeakPolarHBondContact O-CG 3.35Å; K354-E358 PolarHBondContact O-N 3.49Å; K354-E358 VanDerWaalsContact O-N 3.11Å; I355-E358 PolarHBondContact O-N 3.37Å; E358-R361 PolarHBondContact O-N 2.91Å; E358-R361 IonicContact OE1-CZ 2.81Å; E358-R361 IonicContact OE1-NH1 2.69Å; E358-R361 PolarHBondContact OE1-NH1 3.18Å; E358-R361 IonicContact OE2-CZ 2.89Å; E358-R361 IonicContact OE2-NH1 3.27Å; E358-R361 PolarHBondContact OE2-NH1 3.36Å; E358-C362 WeakPolarHBondContact O-CB 3.25Å; E358-C362 PolarHBondContact O-N 3.38Å |
| 359 | L | 85.4 | Confident | 76.9 | Confident | 22 Ų | 22 | 71 Ų | 71 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.8 | -48.2 | 172.7 | -157.8 | 92.3 | 0 | 0 | 0 | 110.6 | V59 L345 Y349 I355 R361 C362 C363 | V59-L359 HydrophobicContact CG2-CD1 4.03Å; L345-L359 HydrophobicContact CD1-CD1 3.61Å; L345-L359 HydrophobicContact CD1-CD2 4.12Å; Y349-L359 HydrophobicContact CD2-CD2 3.8Å; Y349-L359 HydrophobicContact CE2-CD2 4.12Å; I355-L359 VanDerWaalsContact O-CB 3.28Å; I355-L359 WeakPolarHBondContact O-CB 3.35Å; I355-L359 PolarHBondContact O-N 3.07Å; L359-R361 VanDerWaalsContact C-N 3.29Å; L359-R361 PolarHBondContact O-N 3.39Å; L359-C362 WeakPolarHBondContact O-CB 2.84Å; L359-C362 PolarHBondContact O-N 3.13Å; L359-C362 VanDerWaalsContact O-N 3.14Å; L359-C363 PolarHBondContact O-N 2.86Å; L359-C363 PolarHBondContact O-SG 3.17Å; L359-C363 VanDerWaalsContact O-SG 3.36Å |
| 360 | K | 86.1 | Confident | 74.4 | Confident | 115 Ų | 115 | 76.9 Ų | 76.9 | 50% | 0.5 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59 | -40.6 | 174.7 | -75.8 | 179.7 | -179.8 | -175 | 0 | 111.6 | R356 V357 R364 | R356-K360 WeakPolarHBondContact O-CB 3.33Å; R356-K360 VanDerWaalsContact O-CG 3.32Å; R356-K360 WeakPolarHBondContact O-CG 3.49Å; R356-K360 PolarHBondContact O-N 3.21Å; V357-K360 PolarHBondContact O-N 2.97Å; K360-R364 WeakPolarHBondContact O-CG 2.9Å; K360-R364 PolarHBondContact O-N 2.65Å |
| 361 | R | 83 | Confident | 72.1 | Confident | 72 Ų | 72 | 76.5 Ų | 76.5 | 27% | 0.272 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 174.7 | -173.1 | -176.5 | -74 | 155.5 | -5.7 | 110.6 | V357 E358 L359 R364 T365 P376 | V357-R361 WeakPolarHBondContact O-CB 3.25Å; V357-R361 PolarHBondContact O-N 3.27Å; E358-R361 PolarHBondContact O-N 2.91Å; E358-R361 IonicContact OE1-CZ 2.81Å; E358-R361 IonicContact OE1-NH1 2.69Å; E358-R361 PolarHBondContact OE1-NH1 3.18Å; E358-R361 IonicContact OE2-CZ 2.89Å; E358-R361 IonicContact OE2-NH1 3.27Å; E358-R361 PolarHBondContact OE2-NH1 3.36Å; L359-R361 VanDerWaalsContact C-N 3.29Å; L359-R361 PolarHBondContact O-N 3.39Å; R361-R364 PolarHBondContact O-N 2.66Å; R361-T365 PolarHBondContact O-N 3.17Å; R361-T365 PolarHBondContact O-OG1 2Å; R361-P376 PolarHBondContact NH2-O 3.26Å |
| 362 | C | 79.7 | Confident | 69.8 | Low | 15 Ų | 15 | 85.5 Ų | 85.5 | 10% | 0.101 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 179 | -154.7 | 0 | 0 | 0 | 0 | 112.1 | V59 E358 L359 R364 T365 M366 | V59-C362 HydrophobicContact CG2-CB 4.02Å; E358-C362 WeakPolarHBondContact O-CB 3.25Å; E358-C362 PolarHBondContact O-N 3.38Å; L359-C362 WeakPolarHBondContact O-CB 2.84Å; L359-C362 PolarHBondContact O-N 3.13Å; L359-C362 VanDerWaalsContact O-N 3.14Å; C362-R364 VanDerWaalsContact C-N 3.32Å; C362-R364 PolarHBondContact O-N 2.92Å; C362-T365 PolarHBondContact O-N 3.04Å; C362-T365 VanDerWaalsContact O-N 3.08Å; C362-M366 PolarHBondContact O-N 3.1Å |
| 363 | C | 79.4 | Confident | 67.6 | Low | 64 Ų | 64 | 90.4 Ų | 90.4 | 43% | 0.432 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 176.8 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | L359 T365 M366 G367 | L359-C363 PolarHBondContact O-N 2.86Å; L359-C363 PolarHBondContact O-SG 3.17Å; L359-C363 VanDerWaalsContact O-SG 3.36Å; C363-T365 VanDerWaalsContact C-N 3.33Å; C363-T365 PolarHBondContact O-N 3.5Å; C363-M366 PolarHBondContact O-N 3.45Å; C363-G367 PolarHBondContact O-N 3.41Å |
| 364 | R | 78.6 | Confident | 65.5 | Low | 181 Ų | 181 | 92.9 Ų | 92.9 | 68% | 0.683 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.8 | -35.9 | 174.5 | -74.1 | -178.1 | -172.4 | -176.4 | 1.4 | 112.7 | K360 R361 C362 G367 C368 | K360-R364 WeakPolarHBondContact O-CG 2.9Å; K360-R364 PolarHBondContact O-N 2.65Å; R361-R364 PolarHBondContact O-N 2.66Å; C362-R364 VanDerWaalsContact C-N 3.32Å; C362-R364 PolarHBondContact O-N 2.92Å; R364-G367 PolarHBondContact O-N 3.45Å; R364-C368 PolarHBondContact O-N 3.21Å |
| 365 | T | 71.5 | Confident | 63.8 | Low | 96 Ų | 96 | 95.6 Ų | 95.6 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71 | -33.4 | 178.9 | -29.5 | 0 | 0 | 0 | 0 | 111.8 | R361 C362 C363 | R361-T365 PolarHBondContact O-N 3.17Å; R361-T365 PolarHBondContact O-OG1 2Å; C362-T365 PolarHBondContact O-N 3.04Å; C362-T365 VanDerWaalsContact O-N 3.08Å; C363-T365 VanDerWaalsContact C-N 3.33Å; C363-T365 PolarHBondContact O-N 3.5Å |
| 366 | M | 67.4 | Low | 61.6 | Low | 132 Ų | 132 | 100.8 Ų | 100.8 | 65% | 0.65 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -75.1 | -29.1 | 173.8 | -69.2 | -175 | -72.3 | 0 | 0 | 112.6 | C362 C363 | C362-M366 PolarHBondContact O-N 3.1Å; C363-M366 PolarHBondContact O-N 3.45Å |
| 367 | G | 60.8 | Low | 59.3 | Low | 66 Ų | 66 | 100.4 Ų | 100.4 | 68% | 0.68 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -86.6 | -18 | 180 | 0 | 0 | 0 | 0 | 0 | 115.9 | C363 R364 | C363-G367 PolarHBondContact O-N 3.41Å; R364-G367 PolarHBondContact O-N 3.45Å |
| 368 | C | 44.8 | Very low | 57.3 | Low | 89 Ų | 89 | 100 Ų | 100 | 60% | 0.601 | 57% | 0.57 | S | S | * | * | trans | -122.6 | 116.6 | -179 | -70 | 0 | 0 | 0 | 0 | 112 | R364 K370 | R364-C368 PolarHBondContact O-N 3.21Å; C368-K370 PolarHBondContact O-N 3.04Å | ||
| 369 | Q | 43.8 | Very low | 54.9 | Low | 196 Ų | 196 | 106.7 Ų | 106.7 | 92% | 0.916 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -56.6 | 125.7 | 158.2 | -82.5 | -179.9 | -16 | 0 | 0 | 109.4 | G371 | Q369-G371 PolarHBondContact O-N 3.3Š|
| 370 | K | 35.7 | Very low | 52.5 | Low | 217 Ų | 217 | 108.3 Ų | 108.3 | 94% | 0.943 | 62% | 0.623 | S | S | * | * | S | Bend | trans | 30.8 | 79.7 | 162.3 | -70.6 | -179.5 | 176.5 | 176.6 | 0 | 116 | C368 | C368-K370 PolarHBondContact O-N 3.04Š|
| 371 | G | 37.9 | Very low | 50.4 | Low | 63 Ų | 63 | 107.1 Ų | 107.1 | 65% | 0.649 | 62% | 0.619 | S | S | * | * | trans | -134.3 | 97.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q369 S373 | Q369-G371 PolarHBondContact O-N 3.3Å; G371-S373 PolarHBondContact O-N 3.35Å | ||
| 372 | Q | 35.9 | Very low | 48.2 | Very low | 205 Ų | 205 | 112.6 Ų | 112.6 | 96% | 0.958 | 64% | 0.64 | S | S | * | * | trans | -60 | 109.8 | 170.9 | -91.5 | 168.2 | -28.1 | 0 | 0 | 108.6 | ||||
| 373 | S | 35 | Very low | 46.2 | Very low | 105 Ų | 105 | 114.8 Ų | 114.8 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | trans | -124.2 | 112.5 | 160 | -77.8 | 0 | 0 | 0 | 0 | 107.9 | G371 V375 | G371-S373 PolarHBondContact O-N 3.35Å; S373-V375 VanDerWaalsContact C-N 3.34Å; S373-V375 PolarHBondContact O-N 3.38Å | ||
| 374 | S | 36.8 | Very low | 44.3 | Very low | 127 Ų | 127 | 117.3 Ų | 117.3 | 89% | 0.888 | 66% | 0.663 | S | S | * | * | trans | -63.7 | 87.2 | 173.8 | 35 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 375 | V | 41.5 | Very low | 42.4 | Very low | 90 Ų | 90 | 113.6 Ų | 113.6 | 55% | 0.545 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -88.4 | 134.3 | 162.7 | -178.1 | 0 | 0 | 0 | 0 | 107.2 | S373 A377 | S373-V375 VanDerWaalsContact C-N 3.34Å; S373-V375 PolarHBondContact O-N 3.38Å; V375-A377 PolarHBondContact O-N 2.81Å |
| 376 | P | 34.8 | Very low | 40.8 | Very low | 109 Ų | 109 | 111.2 Ų | 111.2 | 71% | 0.708 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 134.1 | -174.2 | -21.4 | 30 | 0 | 0 | 0 | 110.7 | R361 V378 | R361-P376 PolarHBondContact NH2-O 3.26Å; P376-V378 PolarHBondContact O-N 3.17Å |
| 377 | A | 37.7 | Very low | 39 | Very low | 82 Ų | 82 | 109.6 Ų | 109.6 | 68% | 0.678 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 134 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | V375 Q379 | V375-A377 PolarHBondContact O-N 2.81Å; A377-Q379 VanDerWaalsContact C-N 3.3Å; A377-Q379 PolarHBondContact O-N 2.75Å |
| 378 | V | 41.8 | Very low | 37.7 | Very low | 48 Ų | 48 | 112 Ų | 112 | 29% | 0.291 | 64% | 0.638 | S | S | . | * | trans | -59.1 | 105.2 | 168.6 | 175.4 | 0 | 0 | 0 | 0 | 104.9 | V357 P376 G380 | V357-V378 HydrophobicContact CG1-CG2 4.42Å; P376-V378 PolarHBondContact O-N 3.17Å; V378-G380 PolarHBondContact O-N 3.35Å | ||
| 379 | Q | 34.5 | Very low | 37.2 | Very low | 147 Ų | 147 | 114.9 Ų | 114.9 | 69% | 0.687 | 65% | 0.647 | S | S | * | * | trans | -59.7 | 115.2 | 179.2 | -126.4 | 161.3 | -2.1 | 0 | 0 | 105.5 | A377 E381 | A377-Q379 VanDerWaalsContact C-N 3.3Å; A377-Q379 PolarHBondContact O-N 2.75Å; Q379-E381 PolarHBondContact O-N 2.93Å | ||
| 380 | G | 36.2 | Very low | 36.7 | Very low | 56 Ų | 56 | 110.3 Ų | 110.3 | 58% | 0.577 | 63% | 0.629 | S | S | * | * | trans | -49.7 | 138.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | V378 R382 | V378-G380 PolarHBondContact O-N 3.35Å; G380-R382 VanDerWaalsContact C-N 3.28Å; G380-R382 PolarHBondContact O-N 3.12Å | ||
| 381 | E | 41.2 | Very low | 36.6 | Very low | 90 Ų | 90 | 102 Ų | 102 | 42% | 0.421 | 60% | 0.604 | S | S | . | * | trans | -42.2 | 95.6 | -177.5 | -101.1 | 159.8 | 178.8 | 0 | 0 | 109.3 | S283 K354 Q379 C383 | S283-E381 PolarHBondContact OG-OE1 3.3Å; K354-E381 IonicContact NZ-OE1 3.2Å; K354-E381 PolarHBondContact NZ-OE1 3.04Å; K354-E381 IonicContact NZ-OE2 3.43Å; K354-E381 PolarHBondContact NZ-OE2 3.36Å; Q379-E381 PolarHBondContact O-N 2.93Å; E381-C383 PolarHBondContact O-N 3.03Å; E381-C383 VanDerWaalsContact O-N 3.17Å | ||
| 382 | R | 36.6 | Very low | 36.4 | Very low | 187 Ų | 187 | 107.6 Ų | 107.6 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | trans | -69.8 | 118.1 | 170 | -151.8 | -176.8 | -70.5 | -156 | 3.3 | 101.2 | G380 L384 | G380-R382 VanDerWaalsContact C-N 3.28Å; G380-R382 PolarHBondContact O-N 3.12Å; R382-L384 PolarHBondContact O-N 3.17Å | ||
| 383 | C | 38.9 | Very low | 36.5 | Very low | 60 Ų | 60 | 104.2 Ų | 104.2 | 41% | 0.405 | 60% | 0.595 | S | S | . | * | trans | -57.8 | 89.2 | 179.8 | -116.7 | 0 | 0 | 0 | 0 | 108.5 | C150 E381 L385 | C150-C383 WeakPolarHBondContact CA-SG 3.48Å; C150-C383 HydrophobicContact CB-CB 3.79Å; C150-C383 WeakPolarHBondContact CB-SG 3.24Å; C150-C383 WeakPolarHBondContact SG-CB 3.34Å; C150-C383 CovalentContact SG-SG 2Å; C150-C383 PolarHBondContact SG-SG 2.8Å; E381-C383 PolarHBondContact O-N 3.03Å; E381-C383 VanDerWaalsContact O-N 3.17Å; C383-L385 PolarHBondContact O-N 3.47Å | ||
| 384 | L | 39.1 | Very low | 36.4 | Very low | 118 Ų | 118 | 105.8 Ų | 105.8 | 62% | 0.618 | 59% | 0.591 | S | S | * | * | trans | -69.5 | 94.4 | 170.7 | -89.3 | 158.3 | 0 | 0 | 0 | 103.8 | V280 R382 V386 | V280-L384 HydrophobicContact CG2-CB 4.43Å; V280-L384 HydrophobicContact CG2-CD1 3.88Å; R382-L384 PolarHBondContact O-N 3.17Å; L384-V386 PolarHBondContact O-N 3.44Å | ||
| 385 | L | 37.6 | Very low | 36.3 | Very low | 102 Ų | 102 | 105.8 Ų | 105.8 | 53% | 0.534 | 58% | 0.577 | S | S | . | * | trans | -57.7 | 109 | 165.4 | -68.2 | 170 | 0 | 0 | 0 | 105.1 | Y147 C383 P387 | Y147-L385 VanDerWaalsContact CA-CD2 3.49Å; C383-L385 PolarHBondContact O-N 3.47Å; L385-P387 WeakPolarHBondContact O-CD 3.34Å | ||
| 386 | V | 38.8 | Very low | 36 | Very low | 47 Ų | 47 | 109 Ų | 109 | 29% | 0.285 | 58% | 0.584 | S | S | . | * | trans | -52.6 | 122.5 | 156.5 | 179.8 | 0 | 0 | 0 | 0 | 104.7 | L384 L388 | L384-V386 PolarHBondContact O-N 3.44Å; V386-L388 PolarHBondContact O-N 3.39Å | ||
| 387 | P | 29.7 | Very low | 36.2 | Very low | 97 Ų | 97 | 106.6 Ų | 106.6 | 63% | 0.63 | 57% | 0.569 | S | S | * | * | trans | -57.5 | 119.9 | 176.5 | -13.6 | 25.8 | 0 | 0 | 0 | 106.5 | L385 N389 | L385-P387 WeakPolarHBondContact O-CD 3.34Å; P387-N389 VanDerWaalsContact C-N 3.3Å; P387-N389 PolarHBondContact O-N 2.9Å | ||
| 388 | L | 32.7 | Very low | 36.1 | Very low | 118 Ų | 118 | 109 Ų | 109 | 62% | 0.618 | 57% | 0.567 | S | S | * | * | trans | -61.7 | 106.1 | 160.5 | -103.3 | 146.9 | 0 | 0 | 0 | 104.6 | Y147 V386 N390 | Y147-L388 HydrophobicContact CD1-CD1 3.87Å; Y147-L388 HydrophobicContact CE1-CD1 4.2Å; V386-L388 PolarHBondContact O-N 3.39Å; L388-N390 PolarHBondContact O-N 3.08Å; L388-N390 VanDerWaalsContact O-N 3.08Å | ||
| 389 | N | 34.5 | Very low | 35.9 | Very low | 149 Ų | 149 | 112.7 Ų | 112.7 | 80% | 0.797 | 58% | 0.584 | S | S | * | * | trans | -56 | 119.9 | 164.7 | -161.8 | 7.1 | 0 | 0 | 0 | 105.6 | P387 G391 | P387-N389 VanDerWaalsContact C-N 3.3Å; P387-N389 PolarHBondContact O-N 2.9Å; N389-G391 PolarHBondContact O-N 2.74Å | ||
| 390 | N | 32.8 | Very low | 36.2 | Very low | 100 Ų | 100 | 111.1 Ų | 111.1 | 54% | 0.535 | 58% | 0.58 | S | S | . | * | trans | -71.2 | 45.3 | -175.9 | -82.6 | -11.9 | 0 | 0 | 0 | 111.8 | L388 F392 E393 | L388-N390 PolarHBondContact O-N 3.08Å; L388-N390 VanDerWaalsContact O-N 3.08Å; N390-F392 PolarHBondContact O-N 3.03Å; N390-F392 VanDerWaalsContact O-N 3.09Å; N390-E393 HydrophobicContact CB-CB 4.46Å; N390-E393 PolarHBondContact O-N 3.09Å | ||
| 391 | G | 34.9 | Very low | 36.5 | Very low | 41 Ų | 41 | 115.5 Ų | 115.5 | 42% | 0.423 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.2 | -10.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N389 | N389-G391 PolarHBondContact O-N 2.74Å |
| 392 | F | 34 | Very low | 36.5 | Very low | 181 Ų | 181 | 117.1 Ų | 117.1 | 79% | 0.794 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -90.4 | -12.6 | 172.5 | -112.7 | -90.9 | 0 | 0 | 0 | 114.3 | N390 | N390-F392 PolarHBondContact O-N 3.03Å; N390-F392 VanDerWaalsContact O-N 3.09Å |
| 393 | E | 36.7 | Very low | 36.7 | Very low | 135 Ų | 135 | 112.8 Ų | 112.8 | 63% | 0.631 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -95.8 | -20.3 | 173.4 | -70.3 | -142.9 | 136.1 | 0 | 0 | 113.5 | N390 S397 | N390-E393 HydrophobicContact CB-CB 4.46Å; N390-E393 PolarHBondContact O-N 3.09Å; E393-S397 PolarHBondContact O-N 3.38Å; E393-S397 PolarHBondContact O-OG 3.09Å |
| 394 | Q | 34 | Very low | 36.8 | Very low | 138 Ų | 138 | 120.1 Ų | 120.1 | 65% | 0.645 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.5 | -31.9 | 170.4 | -90.6 | 177.6 | -35.2 | 0 | 0 | 112.9 | K396 S397 E398 | Q394-K396 VanDerWaalsContact C-N 3.29Å; Q394-K396 PolarHBondContact O-N 3.33Å; Q394-S397 WeakPolarHBondContact CA-OG 3.39Å; Q394-S397 PolarHBondContact O-N 3.36Å; Q394-S397 PolarHBondContact O-OG 3.16Å; Q394-S397 VanDerWaalsContact O-OG 3.09Å; Q394-E398 PolarHBondContact O-N 2.95Å; Q394-E398 VanDerWaalsContact O-N 3.16Å |
| 395 | Q | 34.5 | Very low | 36.9 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 59% | 0.589 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75.1 | -19.9 | 177.8 | -149.3 | 161.2 | 3.2 | 0 | 0 | 113.1 | ||
| 396 | K | 35.4 | Very low | 36.9 | Very low | 159 Ų | 159 | 130 Ų | 130 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -87.6 | -20.9 | 175 | -148.9 | 174.6 | -174.3 | -179.6 | 0 | 113.1 | Q394 | Q394-K396 VanDerWaalsContact C-N 3.29Å; Q394-K396 PolarHBondContact O-N 3.33Å |
| 397 | S | 37.6 | Very low | 36.8 | Very low | 58 Ų | 58 | 134.1 Ų | 134.1 | 41% | 0.406 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -84.9 | -30.1 | 173.5 | 40.3 | 0 | 0 | 0 | 0 | 112.7 | E393 Q394 Q401 | E393-S397 PolarHBondContact O-N 3.38Å; E393-S397 PolarHBondContact O-OG 3.09Å; Q394-S397 WeakPolarHBondContact CA-OG 3.39Å; Q394-S397 PolarHBondContact O-N 3.36Å; Q394-S397 PolarHBondContact O-OG 3.16Å; Q394-S397 VanDerWaalsContact O-OG 3.09Å; S397-Q401 PolarHBondContact O-N 3.3Å |
| 398 | E | 36.7 | Very low | 37.2 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 62% | 0.621 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75 | -29.6 | 172.4 | -72.6 | -176.2 | 168.7 | 0 | 0 | 113.6 | Q394 | Q394-E398 PolarHBondContact O-N 2.95Å; Q394-E398 VanDerWaalsContact O-N 3.16Å |
| 399 | L | 38.2 | Very low | 37.4 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 65% | 0.649 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -74.4 | -23.6 | 173.6 | -98.6 | 149.6 | 0 | 0 | 0 | 113.6 | ||
| 400 | N | 40.6 | Very low | 37.6 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 62% | 0.615 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -90.8 | -15.7 | 176.4 | -89.7 | -10.3 | 0 | 0 | 0 | 114.2 | ||
| 401 | Q | 41.2 | Very low | 37.9 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -86 | -18.2 | 173.6 | -84.2 | -178.9 | -25.2 | 0 | 0 | 113.7 | S397 | S397-Q401 PolarHBondContact O-N 3.3Å |
| 402 | N | 42.1 | Very low | 38.1 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 66% | 0.663 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -91 | -3 | 176.8 | -77.6 | -24.5 | 0 | 0 | 0 | 114.7 | ||
| 403 | S | 41.6 | Very low | 38.4 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 67% | 0.671 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -92.9 | 6.2 | 172.9 | -80.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 404 | Y | 40.8 | Very low | 38.5 | Very low | 214 Ų | 214 | 143.2 Ų | 143.2 | 84% | 0.839 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -119.9 | 25.8 | 174.2 | -75.1 | -79.2 | 0 | 0 | 0 | 113.3 | ||
| 405 | K | 40.2 | Very low | 38.9 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -130.7 | 30.6 | 177.7 | -93.8 | -168.5 | 178.7 | -178.1 | 0 | 114.6 | ||||
| 406 | L | 37.9 | Very low | 39.3 | Very low | 241 Ų | 241 | 145.2 Ų | 145.2 | 100% | 1.262 | 72% | 0.719 | S | S | * | * | trans | -135.9 | 0 | 167.9 | -109.7 | 134.8 | 0 | 0 | 0 | 111.2 |
Retrieved 406 of 406 residues in 120 ms
(Link to these results)