| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.1 | Very low | 39.4 | Very low | 242 Ų | 242 | 130.2 Ų | 130.2 | 100% | 1.192 | 67% | 0.665 | S | S | * | * | 0 | 85.2 | 0 | -75.3 | -178.5 | -169 | 0 | 0 | 106.5 | |||||
| 2 | E | 28.3 | Very low | 40.1 | Very low | 195 Ų | 195 | 133.1 Ų | 133.1 | 91% | 0.911 | 67% | 0.67 | S | S | * | * | trans | -69.5 | 125.5 | 173.9 | -72.9 | 166.8 | 156.2 | 0 | 0 | 107.2 | L4 | E2-L4 PolarHBondContact O-N 3.3Š| ||
| 3 | R | 32.6 | Very low | 41.6 | Very low | 245 Ų | 245 | 132.4 Ų | 132.4 | 93% | 0.925 | 67% | 0.67 | S | S | * | * | trans | -66.1 | 115.8 | 172.9 | -68.4 | 177.3 | 179 | 178.6 | -2.3 | 106.3 | A5 | R3-A5 PolarHBondContact O-N 3.27Š| ||
| 4 | L | 36.3 | Very low | 43.9 | Very low | 177 Ų | 177 | 127.9 Ų | 127.9 | 93% | 0.927 | 64% | 0.643 | S | S | * | * | trans | -57.6 | 111.6 | 164.3 | -74.9 | 160.1 | 0 | 0 | 0 | 106.2 | E2 | E2-L4 PolarHBondContact O-N 3.3Š| ||
| 5 | A | 35.7 | Very low | 46.6 | Very low | 76 Ų | 76 | 122 Ų | 122 | 63% | 0.628 | 62% | 0.617 | S | S | * | * | trans | -64.5 | 139 | 172.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | R3 | R3-A5 PolarHBondContact O-N 3.27Š| ||
| 6 | S | 39.4 | Very low | 49.3 | Very low | 28 Ų | 28 | 118.3 Ų | 118.3 | 20% | 0.196 | 60% | 0.604 | C | S | . | * | trans | -53.5 | 140.7 | 169.6 | 57.8 | 0 | 0 | 0 | 0 | 109.4 | S8 N9 | S6-S8 PolarHBondContact O-N 3.16Å; S6-S8 PolarHBondContact OG-OG 3.41Å; S6-N9 PolarHBondContact O-N 3.02Å; S6-N9 PolarHBondContact OG-ND2 2.84Å; S6-N9 VanDerWaalsContact OG-ND2 3.15Å | ||
| 7 | F | 44.2 | Very low | 51.8 | Low | 160 Ų | 160 | 111.4 Ų | 111.4 | 70% | 0.702 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -54.9 | -15.6 | 178.6 | -81.5 | -84.9 | 0 | 0 | 0 | 113.6 | ||
| 8 | S | 44.8 | Very low | 54 | Low | 57 Ų | 57 | 111.8 Ų | 111.8 | 40% | 0.399 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -85.4 | -1.8 | 175.7 | 41.6 | 0 | 0 | 0 | 0 | 115.8 | S6 E85 | S6-S8 PolarHBondContact O-N 3.16Å; S6-S8 PolarHBondContact OG-OG 3.41Å; S8-E85 WeakPolarHBondContact CB-OE2 3.44Å; S8-E85 PolarHBondContact OG-OE2 3.39Å |
| 9 | N | 45.9 | Very low | 55.8 | Low | 96 Ų | 96 | 107.3 Ų | 107.3 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -113.9 | 18.5 | -176.9 | -91 | -43.5 | 0 | 0 | 0 | 114.8 | S6 P11 | S6-N9 PolarHBondContact O-N 3.02Å; S6-N9 PolarHBondContact OG-ND2 2.84Å; S6-N9 VanDerWaalsContact OG-ND2 3.15Å; N9-P11 VanDerWaalsContact O-CD 3.3Å; N9-P11 WeakPolarHBondContact O-CD 3.49Å |
| 10 | D | 46.3 | Very low | 57.6 | Low | 77 Ų | 77 | 105.1 Ų | 105.1 | 41% | 0.412 | 54% | 0.541 | S | S | . | . | trans | -67.9 | 120.5 | 168.5 | -162.4 | -23.6 | 0 | 0 | 0 | 109.6 | F12 D13 | D10-F12 PolarHBondContact O-N 3.18Å; D10-F12 VanDerWaalsContact OD1-CD2 3.31Å; D10-F12 WeakPolarHBondContact OD1-CD2 3.41Å; D10-F12 PolarHBondContact OD1-N 3.17Å; D10-F12 VanDerWaalsContact OD1-N 3.09Å; D10-D13 PolarHBondContact O-N 3.18Å | ||
| 11 | P | 46.2 | Very low | 59.1 | Low | 79 Ų | 79 | 104.7 Ų | 104.7 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -18.5 | 174.8 | -23.6 | 34 | 0 | 0 | 0 | 113.9 | N9 | N9-P11 VanDerWaalsContact O-CD 3.3Å; N9-P11 WeakPolarHBondContact O-CD 3.49Å |
| 12 | F | 47.5 | Very low | 61.7 | Low | 165 Ų | 165 | 95.7 Ų | 95.7 | 72% | 0.724 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -13.6 | -179.7 | -71 | -78.9 | 0 | 0 | 0 | 114.9 | D10 | D10-F12 PolarHBondContact O-N 3.18Å; D10-F12 VanDerWaalsContact OD1-CD2 3.31Å; D10-F12 WeakPolarHBondContact OD1-CD2 3.41Å; D10-F12 PolarHBondContact OD1-N 3.17Å; D10-F12 VanDerWaalsContact OD1-N 3.09Å |
| 13 | D | 59.5 | Low | 64.6 | Low | 124 Ų | 124 | 92.7 Ų | 92.7 | 66% | 0.663 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -87.9 | -9.7 | 177.2 | -87 | -27.6 | 0 | 0 | 0 | 113.9 | D10 | D10-D13 PolarHBondContact O-N 3.18Š|
| 14 | K | 74.4 | Confident | 67.3 | Low | 70 Ų | 70 | 81.3 Ų | 81.3 | 30% | 0.304 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -82.4 | 125.5 | -178.7 | -70.3 | 177.3 | -176 | 170.8 | 0 | 110.4 | Y23 | K14-Y23 HydrophobicContact CB-CD1 4.37Å; K14-Y23 WeakPolarHBondContact O-CD1 3.5Å |
| 15 | P | 83.9 | Confident | 69.6 | Low | 39 Ų | 39 | 77.4 Ų | 77.4 | 25% | 0.253 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -66 | 141.2 | -179.3 | 23 | -30.2 | 0 | 0 | 0 | 111.3 | L24 L40 | P15-L24 HydrophobicContact CB-CD1 4.44Å; P15-L24 HydrophobicContact CG-CB 4.36Å; P15-L24 HydrophobicContact CG-CD1 4.27Å; P15-L24 WeakPolarHBondContact O-CB 3.38Å; P15-L24 WeakPolarHBondContact O-CG 3.34Å; P15-L24 PolarHBondContact O-N 3.32Å; P15-L40 HydrophobicContact CB-CD1 3.48Å; P15-L40 VanDerWaalsContact CB-CD1 3.48Å; P15-L40 HydrophobicContact CG-CD1 3.85Å |
| 16 | P | 90.5 | Very high | 71.9 | Confident | 62 Ų | 62 | 77.6 Ų | 77.6 | 40% | 0.403 | 42% | 0.419 | S | S | . | . | B | Isolated β-bridge | trans | -79 | 143.2 | 177.2 | 30.6 | -34.1 | 0 | 0 | 0 | 112 | R18 | P16-R18 PolarHBondContact O-N 3.42Å |
| 17 | C | 91.9 | Very high | 74.3 | Confident | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.014 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 128.7 | 169.8 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | G19 C20 S21 S22 L24 C42 | C17-G19 PolarHBondContact O-N 3.3Å; C17-G19 PolarHBondContact SG-N 3.45Å; C17-G19 VanDerWaalsContact SG-N 3.36Å; C17-C20 VanDerWaalsContact CB-SG 3.59Å; C17-C20 PolarHBondContact SG-SG 2.94Å; C17-S21 WeakPolarHBondContact O-CA 3.26Å; C17-S21 PolarHBondContact O-N 3.46Å; C17-S22 WeakPolarHBondContact CB-O 3.46Å; C17-S22 PolarHBondContact N-O 3.29Å; C17-L24 HydrophobicContact CB-CD2 3.7Å; C17-L24 HydrophobicContact CB-CG 4.24Å; C17-C42 HydrophobicContact CB-CB 4.32Å; C17-C42 PolarHBondContact SG-N 2.9Å |
| 18 | R | 90.2 | Very high | 76.6 | Confident | 119 Ų | 119 | 72.8 Ų | 72.8 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -18.5 | 176.7 | -66.3 | -61.5 | -172 | -173.8 | -3.2 | 114 | P16 F39 L40 L41 | P16-R18 PolarHBondContact O-N 3.42Å; R18-F39 HydrophobicContact CB-CD1 4.4Å; R18-F39 HydrophobicContact CB-CD2 4.24Å; R18-F39 HydrophobicContact CB-CE1 3.99Å; R18-F39 HydrophobicContact CB-CE2 3.81Å; R18-F39 HydrophobicContact CB-CZ 3.68Å; R18-F39 HydrophobicContact CG-CD1 4.48Å; R18-F39 HydrophobicContact CG-CD2 3.98Å; R18-F39 HydrophobicContact CG-CE2 4.04Å; R18-F39 HydrophobicContact CG-CG 4.21Å; R18-F39 HydrophobicContact CG-CZ 4.32Å; R18-L40 PolarHBondContact N-O 3.29Å; R18-L41 HydrophobicContact CB-CD2 4.33Å |
| 19 | G | 88.1 | Confident | 78.9 | Confident | 26 Ų | 26 | 70.3 Ų | 70.3 | 27% | 0.268 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -44.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | C17 F50 | C17-G19 PolarHBondContact O-N 3.3Å; C17-G19 PolarHBondContact SG-N 3.45Å; C17-G19 VanDerWaalsContact SG-N 3.36Å; G19-F50 VanDerWaalsContact CA-CE1 3.46Å; G19-F50 VanDerWaalsContact CA-CZ 3.48Å |
| 20 | C | 91.4 | Very high | 81.1 | Confident | 63 Ų | 63 | 69 Ų | 69 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | 0.2 | -174.8 | 60.2 | 0 | 0 | 0 | 0 | 114.1 | C17 S22 | C17-C20 VanDerWaalsContact CB-SG 3.59Å; C17-C20 PolarHBondContact SG-SG 2.94Å; C20-S22 PolarHBondContact O-N 2.97Å; C20-S22 PolarHBondContact SG-OG 3.29Å |
| 21 | S | 89.3 | Confident | 83.4 | Confident | 96 Ų | 96 | 65.7 Ų | 65.7 | 67% | 0.671 | 35% | 0.354 | S | S | * | . | trans | 59.4 | 9.5 | -178 | -53.3 | 0 | 0 | 0 | 0 | 115.4 | C17 | C17-S21 WeakPolarHBondContact O-CA 3.26Å; C17-S21 PolarHBondContact O-N 3.46Å | ||
| 22 | S | 89.2 | Confident | 85.5 | Confident | 54 Ų | 54 | 64.3 Ų | 64.3 | 38% | 0.378 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 145.2 | 172 | 68.3 | 0 | 0 | 0 | 0 | 110.5 | C17 C20 L24 | C17-S22 WeakPolarHBondContact CB-O 3.46Å; C17-S22 PolarHBondContact N-O 3.29Å; C20-S22 PolarHBondContact O-N 2.97Å; C20-S22 PolarHBondContact SG-OG 3.29Å; S22-L24 PolarHBondContact O-N 3.46Å |
| 23 | Y | 89.8 | Confident | 87.6 | Confident | 132 Ų | 132 | 61.7 Ų | 61.7 | 52% | 0.518 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -60.5 | 131.9 | 171.4 | -63.8 | -70.6 | 0 | 0 | 0 | 110.9 | K14 | K14-Y23 HydrophobicContact CB-CD1 4.37Å; K14-Y23 WeakPolarHBondContact O-CD1 3.5Å |
| 24 | L | 88.2 | Confident | 89 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -80 | 131.5 | -178.9 | -64.5 | 171.7 | 0 | 0 | 0 | 110.2 | P15 C17 S22 Y28 L40 C42 | P15-L24 HydrophobicContact CB-CD1 4.44Å; P15-L24 HydrophobicContact CG-CB 4.36Å; P15-L24 HydrophobicContact CG-CD1 4.27Å; P15-L24 WeakPolarHBondContact O-CB 3.38Å; P15-L24 WeakPolarHBondContact O-CG 3.34Å; P15-L24 PolarHBondContact O-N 3.32Å; C17-L24 HydrophobicContact CB-CD2 3.7Å; C17-L24 HydrophobicContact CB-CG 4.24Å; S22-L24 PolarHBondContact O-N 3.46Å; L24-Y28 HydrophobicContact CB-CD1 4.01Å; L24-Y28 HydrophobicContact CB-CG 4.02Å; L24-Y28 HydrophobicContact CD1-CD2 3.78Å; L24-Y28 HydrophobicContact CD1-CE2 4.31Å; L24-Y28 HydrophobicContact CD1-CG 3.99Å; L24-Y28 HydrophobicContact CG-CG 4.41Å; L24-L40 HydrophobicContact CD1-CB 3.51Å; L24-L40 HydrophobicContact CD1-CD1 4.34Å; L24-C42 HydrophobicContact CD2-CB 3.6Å |
| 25 | T | 84.9 | Confident | 89.4 | Confident | 95 Ų | 95 | 56.2 Ų | 56.2 | 58% | 0.583 | 33% | 0.328 | S | S | * | . | trans | -109.8 | 139.3 | 164 | 48 | 0 | 0 | 0 | 0 | 107.7 | P27 | T25-P27 CarbonylContact O-C 3.56Š| ||
| 26 | E | 85.3 | Confident | 89.2 | Confident | 80 Ų | 80 | 60.7 Ų | 60.7 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -58.7 | 143 | 173.4 | -66.7 | -174.2 | -179.6 | 0 | 0 | 110.8 | Y28 S66 | E26-Y28 HydrophobicContact CG-CD1 3.91Å; E26-Y28 HydrophobicContact CG-CE1 3.7Å; E26-S66 VanDerWaalsContact OE2-CB 3.26Å; E26-S66 WeakPolarHBondContact OE2-CB 3.41Å; E26-S66 PolarHBondContact OE2-N 2.97Å; E26-S66 PolarHBondContact OE2-OG 2.63Å |
| 27 | P | 89.1 | Confident | 88.9 | Confident | 55 Ų | 55 | 62 Ų | 62 | 36% | 0.357 | 37% | 0.366 | S | S | . | . | S | Bend | cis | -81.1 | 140.7 | -3.3 | 29.4 | -30.6 | 0 | 0 | 0 | 113.8 | T25 L43 I63 M64 | T25-P27 CarbonylContact O-C 3.56Å; P27-L43 HydrophobicContact CG-CD1 4.27Å; P27-I63 HydrophobicContact CB-CG2 4.28Å; P27-M64 VanDerWaalsContact CA-O 3.22Å; P27-M64 WeakPolarHBondContact CA-O 3.44Å |
| 28 | Y | 91.9 | Very high | 88.6 | Confident | 32 Ų | 32 | 65.2 Ų | 65.2 | 13% | 0.125 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 165.8 | 174.7 | 65.2 | -92.6 | 0 | 0 | 0 | 112.1 | L24 E26 L40 M64 | L24-Y28 HydrophobicContact CB-CD1 4.01Å; L24-Y28 HydrophobicContact CB-CG 4.02Å; L24-Y28 HydrophobicContact CD1-CD2 3.78Å; L24-Y28 HydrophobicContact CD1-CE2 4.31Å; L24-Y28 HydrophobicContact CD1-CG 3.99Å; L24-Y28 HydrophobicContact CG-CG 4.41Å; E26-Y28 HydrophobicContact CG-CD1 3.91Å; E26-Y28 HydrophobicContact CG-CE1 3.7Å; Y28-L40 HydrophobicContact CD2-CD2 4.46Å; Y28-L40 HydrophobicContact CE2-CD1 4.23Å; Y28-L40 HydrophobicContact CE2-CD2 4.02Å; Y28-M64 HydrophobicContact CD1-CB 4.25Å; Y28-M64 HydrophobicContact CD2-CB 4.06Å; Y28-M64 HydrophobicContact CD2-CG 4.05Å; Y28-M64 HydrophobicContact CE1-CB 3.93Å; Y28-M64 HydrophobicContact CE2-CB 3.74Å; Y28-M64 HydrophobicContact CE2-CG 3.56Å; Y28-M64 HydrophobicContact CG-CB 4.3Å; Y28-M64 PolarHBondContact N-O 3.03Å; Y28-M64 PolarHBondContact O-N 3.42Å |
| 29 | V | 93.1 | Very high | 88.6 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.03 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 134 | -174.4 | -179 | 0 | 0 | 0 | 0 | 110.9 | L40 L41 L43 F46 Y61 | V29-L40 CarbonylContact O-C 3.59Å; V29-L40 WeakPolarHBondContact O-CA 3.47Å; V29-L41 PolarHBondContact N-O 3.38Å; V29-L41 PolarHBondContact O-N 3.15Å; V29-L43 HydrophobicContact CG2-CD2 4.08Å; V29-F46 HydrophobicContact CB-CB 4.48Å; V29-F46 HydrophobicContact CB-CD2 4.19Å; V29-F46 HydrophobicContact CB-CG 4.25Å; V29-F46 HydrophobicContact CG1-CD2 3.75Å; V29-F46 HydrophobicContact CG1-CE2 3.89Å; V29-F46 HydrophobicContact CG1-CG 4.26Å; V29-F46 HydrophobicContact CG1-CZ 4.5Å; V29-F46 HydrophobicContact CG2-CB 4.16Å; V29-F46 HydrophobicContact CG2-CD1 4.03Å; V29-F46 HydrophobicContact CG2-CD2 4.21Å; V29-F46 HydrophobicContact CG2-CG 3.85Å; V29-Y61 HydrophobicContact CG1-CD2 3.82Å; V29-Y61 HydrophobicContact CG1-CG 4.02Å |
| 30 | K | 93.2 | Very high | 88.9 | Confident | 68 Ų | 68 | 60.3 Ų | 60.3 | 30% | 0.296 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 126.8 | 170.8 | 174.2 | -179.4 | 163.1 | -135.5 | 0 | 109 | A32 L40 Y61 E62 M64 | K30-A32 PolarHBondContact O-N 2.9Å; K30-L40 HydrophobicContact CB-CD2 3.6Å; K30-L40 HydrophobicContact CD-CD2 4.25Å; K30-L40 HydrophobicContact CG-CD2 3.68Å; K30-Y61 CarbonylContact O-C 3.44Å; K30-Y61 WeakPolarHBondContact O-CA 3.49Å; K30-E62 HydrophobicContact CB-CB 4.44Å; K30-E62 PolarHBondContact N-O 3.31Å; K30-E62 IonicContact NZ-OE2 3.21Å; K30-E62 PolarHBondContact NZ-OE2 2.88Å; K30-E62 PolarHBondContact O-N 2.93Å; K30-M64 HydrophobicContact CB-CG 4.07Å; K30-M64 HydrophobicContact CB-SD 4.33Å; K30-M64 HydrophobicContact CD-SD 4.2Å |
| 31 | C | 93.4 | Very high | 88.9 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 5% | 0.047 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 129.5 | 172.4 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | E33 C34 F39 H55 H59 | C31-E33 VanDerWaalsContact C-N 3.32Å; C31-C34 HydrophobicContact CB-CB 4.07Å; C31-F39 HydrophobicContact CB-CB 4.15Å; C31-F39 PolarHBondContact N-O 3.5Å; C31-H55 PolarHBondContact SG-ND1 2.97Å; C31-H59 VanDerWaalsContact SG-CB 3.55Å; C31-H59 PolarHBondContact SG-ND1 2.85Å; C31-H59 VanDerWaalsContact SG-ND1 3.44Å |
| 32 | A | 91.4 | Very high | 89.1 | Confident | 51 Ų | 51 | 53.9 Ų | 53.9 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -77.7 | -19.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K30 T60 E62 | K30-A32 PolarHBondContact O-N 2.9Å; A32-T60 WeakPolarHBondContact CB-O 3.4Å; A32-T60 PolarHBondContact N-O 3.36Å; A32-E62 HydrophobicContact CB-CG 4.46Å |
| 33 | E | 91.9 | Very high | 89.3 | Confident | 109 Ų | 109 | 55.3 Ų | 55.3 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -99.8 | -19.3 | -173.6 | -62.3 | 178.6 | -143.5 | 0 | 0 | 113.6 | C31 H59 T60 | C31-E33 VanDerWaalsContact C-N 3.32Å; E33-H59 HydrophobicContact CB-CB 4.46Å; E33-H59 HydrophobicContact CG-CB 4.5Å; E33-H59 IonicContact OE2-CD2 3.93Å; E33-H59 IonicContact OE2-CG 3.05Å; E33-H59 IonicContact OE2-NE2 2.65Å; E33-T60 VanDerWaalsContact CG-OG1 3.32Å; E33-T60 WeakPolarHBondContact CG-OG1 3.39Å; E33-T60 WeakPolarHBondContact OE1-CB 3.23Å; E33-T60 PolarHBondContact OE1-N 3.26Å; E33-T60 PolarHBondContact OE1-OG1 2.93Å |
| 34 | C | 89 | Confident | 89.4 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | trans | -100.1 | 117.7 | -173.9 | -71.1 | 0 | 0 | 0 | 0 | 112.7 | C31 F39 H59 | C31-C34 HydrophobicContact CB-CB 4.07Å; C34-F39 HydrophobicContact CB-CB 3.62Å; C34-F39 HydrophobicContact CB-CG 4.39Å; C34-H59 VanDerWaalsContact SG-CE1 3.59Å; C34-H59 PolarHBondContact SG-ND1 3.25Å; C34-H59 VanDerWaalsContact SG-ND1 3.37Å | ||
| 35 | G | 82.1 | Confident | 89.7 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 59% | 0.588 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 171.8 | 171 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 36 | P | 80.3 | Confident | 90.1 | Very high | 132 Ų | 132 | 53.6 Ų | 53.6 | 86% | 0.857 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.4 | 146.9 | -16.1 | 32.3 | -29.8 | 0 | 0 | 0 | 112.8 | ||
| 37 | P | 82.8 | Confident | 90.4 | Very high | 89 Ų | 89 | 55.2 Ų | 55.2 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -79 | 158 | 5.2 | 32.5 | -36.1 | 0 | 0 | 0 | 113.8 | ||
| 38 | P | 86.4 | Confident | 90.6 | Very high | 70 Ų | 70 | 62 Ų | 62 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 144.7 | -179.3 | 25.9 | -34.5 | 0 | 0 | 0 | 112 | ||
| 39 | F | 90.6 | Very high | 90.6 | Very high | 20 Ų | 20 | 62 Ų | 62 | 9% | 0.088 | 35% | 0.354 | C | S | . | . | trans | -104.4 | 108.1 | -178.7 | -158.6 | -84.8 | 0 | 0 | 0 | 110.7 | R18 C31 C34 L41 F50 Y52 H55 | R18-F39 HydrophobicContact CB-CD1 4.4Å; R18-F39 HydrophobicContact CB-CD2 4.24Å; R18-F39 HydrophobicContact CB-CE1 3.99Å; R18-F39 HydrophobicContact CB-CE2 3.81Å; R18-F39 HydrophobicContact CB-CZ 3.68Å; R18-F39 HydrophobicContact CG-CD1 4.48Å; R18-F39 HydrophobicContact CG-CD2 3.98Å; R18-F39 HydrophobicContact CG-CE2 4.04Å; R18-F39 HydrophobicContact CG-CG 4.21Å; R18-F39 HydrophobicContact CG-CZ 4.32Å; C31-F39 HydrophobicContact CB-CB 4.15Å; C31-F39 PolarHBondContact N-O 3.5Å; C34-F39 HydrophobicContact CB-CB 3.62Å; C34-F39 HydrophobicContact CB-CG 4.39Å; F39-L41 HydrophobicContact CD1-CD1 4.39Å; F39-L41 HydrophobicContact CD1-CD2 4.42Å; F39-L41 HydrophobicContact CD1-CG 4.1Å; F39-L41 HydrophobicContact CE1-CD1 3.98Å; F39-L41 HydrophobicContact CE1-CD2 3.72Å; F39-L41 HydrophobicContact CE1-CG 3.8Å; F39-L41 HydrophobicContact CZ-CD2 4.49Å; F39-F50 HydrophobicContact CZ-CD1 4.36Å; F39-F50 HydrophobicContact CZ-CE1 4.08Å; F39-Y52 HydrophobicContact CE2-CD1 4.27Å; F39-H55 HydrophobicContact CD1-CB 4.14Å; F39-H55 AromaticContact CD1-CD2 3.73Å; F39-H55 AromaticContact CD1-CG 3.65Å; F39-H55 AromaticContact CD1-ND1 3.91Å; F39-H55 AromaticContact CD1-NE2 4Å; F39-H55 HydrophobicContact CD2-CB 4.18Å; F39-H55 HydrophobicContact CE1-CB 3.91Å; F39-H55 AromaticContact CE1-CD2 3.15Å; F39-H55 WeakPolarHBondContact CE1-CD2 3.28Å; F39-H55 AromaticContact CE1-CG 3.45Å; F39-H55 VanDerWaalsContact CE1-CG 3.45Å; F39-H55 AromaticContact CE1-NE2 3.68Å; F39-H55 HydrophobicContact CE2-CB 3.96Å; F39-H55 HydrophobicContact CG-CB 4.26Å; F39-H55 HydrophobicContact CZ-CB 3.82Å; F39-H55 AromaticContact CZ-CD2 3.69Å; F39-H55 AromaticContact CZ-CG 3.87Å | ||
| 40 | L | 93.4 | Very high | 90.5 | Very high | 22 Ų | 22 | 64.5 Ų | 64.5 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.2 | -172.9 | -54.2 | 178.2 | 0 | 0 | 0 | 110.7 | P15 R18 L24 Y28 V29 K30 | P15-L40 HydrophobicContact CB-CD1 3.48Å; P15-L40 VanDerWaalsContact CB-CD1 3.48Å; P15-L40 HydrophobicContact CG-CD1 3.85Å; R18-L40 PolarHBondContact N-O 3.29Å; L24-L40 HydrophobicContact CD1-CB 3.51Å; L24-L40 HydrophobicContact CD1-CD1 4.34Å; Y28-L40 HydrophobicContact CD2-CD2 4.46Å; Y28-L40 HydrophobicContact CE2-CD1 4.23Å; Y28-L40 HydrophobicContact CE2-CD2 4.02Å; V29-L40 CarbonylContact O-C 3.59Å; V29-L40 WeakPolarHBondContact O-CA 3.47Å; K30-L40 HydrophobicContact CB-CD2 3.6Å; K30-L40 HydrophobicContact CD-CD2 4.25Å; K30-L40 HydrophobicContact CG-CD2 3.68Å |
| 41 | L | 92.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 142.1 | -176.4 | -68.7 | 176.8 | 0 | 0 | 0 | 111.4 | R18 V29 F39 C45 F46 F50 | R18-L41 HydrophobicContact CB-CD2 4.33Å; V29-L41 PolarHBondContact N-O 3.38Å; V29-L41 PolarHBondContact O-N 3.15Å; F39-L41 HydrophobicContact CD1-CD1 4.39Å; F39-L41 HydrophobicContact CD1-CD2 4.42Å; F39-L41 HydrophobicContact CD1-CG 4.1Å; F39-L41 HydrophobicContact CE1-CD1 3.98Å; F39-L41 HydrophobicContact CE1-CD2 3.72Å; F39-L41 HydrophobicContact CE1-CG 3.8Å; F39-L41 HydrophobicContact CZ-CD2 4.49Å; L41-C45 HydrophobicContact CD2-CB 4.03Å; L41-F46 HydrophobicContact CB-CB 4.4Å; L41-F46 HydrophobicContact CD1-CD2 4.38Å; L41-F50 HydrophobicContact CD2-CD1 3.81Å; L41-F50 HydrophobicContact CD2-CE1 4.47Å |
| 42 | C | 93.6 | Very high | 90 | Very high | 20 Ų | 20 | 71 Ų | 71 | 14% | 0.135 | 39% | 0.391 | C | S | . | . | trans | -73.4 | 157.1 | 165.7 | 74.3 | 0 | 0 | 0 | 0 | 109.6 | C17 L24 Q44 C45 F46 | C17-C42 HydrophobicContact CB-CB 4.32Å; C17-C42 PolarHBondContact SG-N 2.9Å; L24-C42 HydrophobicContact CD2-CB 3.6Å; C42-Q44 PolarHBondContact O-N 3.11Å; C42-Q44 VanDerWaalsContact O-N 3.12Å; C42-C45 PolarHBondContact O-N 3.39Å; C42-C45 VanDerWaalsContact O-N 3.08Å; C42-C45 PolarHBondContact SG-N 3.49Å; C42-C45 VanDerWaalsContact SG-N 3.36Å; C42-F46 PolarHBondContact O-N 3.3Å | ||
| 43 | L | 91.8 | Very high | 89.8 | Confident | 85 Ų | 85 | 76.7 Ų | 76.7 | 45% | 0.445 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56 | -33.2 | -179.1 | -59.3 | 178.2 | 0 | 0 | 0 | 112.9 | P27 V29 T47 | P27-L43 HydrophobicContact CG-CD1 4.27Å; V29-L43 HydrophobicContact CG2-CD2 4.08Å; L43-T47 WeakPolarHBondContact O-CB 3.5Å; L43-T47 VanDerWaalsContact O-CG2 3.29Å; L43-T47 WeakPolarHBondContact O-CG2 3.17Å; L43-T47 PolarHBondContact O-N 3.48Å; L43-T47 PolarHBondContact O-OG1 2.86Å |
| 44 | Q | 92.9 | Very high | 89.5 | Confident | 133 Ų | 133 | 80.3 Ų | 80.3 | 62% | 0.621 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -70.8 | -40.8 | 178.7 | -63.9 | -179.9 | 3.7 | 0 | 0 | 112.4 | C42 T47 R48 | C42-Q44 PolarHBondContact O-N 3.11Å; C42-Q44 VanDerWaalsContact O-N 3.12Å; Q44-T47 PolarHBondContact O-OG1 2.7Å; Q44-R48 WeakPolarHBondContact O-CB 3.31Å; Q44-R48 WeakPolarHBondContact O-CD 3.5Å; Q44-R48 VanDerWaalsContact O-CG 3.24Å; Q44-R48 WeakPolarHBondContact O-CG 3.49Å; Q44-R48 PolarHBondContact O-N 2.99Å |
| 45 | C | 93.3 | Very high | 89.6 | Confident | 11 Ų | 11 | 79.7 Ų | 79.7 | 7% | 0.074 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -69.7 | -37.9 | 175.3 | -74.4 | 0 | 0 | 0 | 0 | 111.2 | L41 C42 R48 F50 | L41-C45 HydrophobicContact CD2-CB 4.03Å; C42-C45 PolarHBondContact O-N 3.39Å; C42-C45 VanDerWaalsContact O-N 3.08Å; C42-C45 PolarHBondContact SG-N 3.49Å; C42-C45 VanDerWaalsContact SG-N 3.36Å; C45-R48 PolarHBondContact O-N 3.23Å; C45-F50 HydrophobicContact CB-CB 4.14Å; C45-F50 VanDerWaalsContact O-CB 3.22Å; C45-F50 WeakPolarHBondContact O-CB 3.22Å; C45-F50 PolarHBondContact O-N 2.78Å; C45-F50 VanDerWaalsContact O-N 3.09Å |
| 46 | F | 93.6 | Very high | 90.1 | Very high | 53 Ų | 53 | 80.7 Ų | 80.7 | 23% | 0.232 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.6 | -50 | 176.7 | -177.8 | -104.9 | 0 | 0 | 0 | 112.1 | V29 L41 C42 R48 G49 Y61 | V29-F46 HydrophobicContact CB-CB 4.48Å; V29-F46 HydrophobicContact CB-CD2 4.19Å; V29-F46 HydrophobicContact CB-CG 4.25Å; V29-F46 HydrophobicContact CG1-CD2 3.75Å; V29-F46 HydrophobicContact CG1-CE2 3.89Å; V29-F46 HydrophobicContact CG1-CG 4.26Å; V29-F46 HydrophobicContact CG1-CZ 4.5Å; V29-F46 HydrophobicContact CG2-CB 4.16Å; V29-F46 HydrophobicContact CG2-CD1 4.03Å; V29-F46 HydrophobicContact CG2-CD2 4.21Å; V29-F46 HydrophobicContact CG2-CG 3.85Å; L41-F46 HydrophobicContact CB-CB 4.4Å; L41-F46 HydrophobicContact CD1-CD2 4.38Å; C42-F46 PolarHBondContact O-N 3.3Å; F46-R48 PolarHBondContact O-N 3.05Å; F46-G49 PolarHBondContact O-N 2.92Å; F46-Y61 HydrophobicContact CE1-CE1 4.39Å; F46-Y61 HydrophobicContact CE1-CE2 4.33Å; F46-Y61 AromaticContact CE2-CD1 3.99Å; F46-Y61 HydrophobicContact CE2-CD1 3.99Å; F46-Y61 HydrophobicContact CE2-CD2 4.45Å; F46-Y61 HydrophobicContact CE2-CE1 4.41Å; F46-Y61 HydrophobicContact CE2-CG 4.02Å; F46-Y61 AromaticContact CZ-CD1 3.6Å; F46-Y61 HydrophobicContact CZ-CD1 3.6Å; F46-Y61 HydrophobicContact CZ-CD2 4.04Å; F46-Y61 AromaticContact CZ-CE1 3.57Å; F46-Y61 HydrophobicContact CZ-CE1 3.57Å; F46-Y61 HydrophobicContact CZ-CE2 4.01Å; F46-Y61 AromaticContact CZ-CG 3.85Å; F46-Y61 HydrophobicContact CZ-CG 3.85Å; F46-Y61 AromaticContact CZ-CZ 3.78Å |
| 47 | T | 92.1 | Very high | 90.7 | Very high | 114 Ų | 114 | 77.1 Ų | 77.1 | 70% | 0.699 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.3 | -22.1 | 179.7 | 49.8 | 0 | 0 | 0 | 0 | 114.1 | L43 Q44 G49 | L43-T47 WeakPolarHBondContact O-CB 3.5Å; L43-T47 VanDerWaalsContact O-CG2 3.29Å; L43-T47 WeakPolarHBondContact O-CG2 3.17Å; L43-T47 PolarHBondContact O-N 3.48Å; L43-T47 PolarHBondContact O-OG1 2.86Å; Q44-T47 PolarHBondContact O-OG1 2.7Å; T47-G49 VanDerWaalsContact C-N 3.26Å |
| 48 | R | 93.4 | Very high | 91.1 | Very high | 198 Ų | 198 | 79.4 Ų | 79.4 | 75% | 0.747 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -2.5 | 172.1 | -72.7 | 175 | -179.7 | 175 | 2.6 | 113.6 | Q44 C45 F46 | Q44-R48 WeakPolarHBondContact O-CB 3.31Å; Q44-R48 WeakPolarHBondContact O-CD 3.5Å; Q44-R48 VanDerWaalsContact O-CG 3.24Å; Q44-R48 WeakPolarHBondContact O-CG 3.49Å; Q44-R48 PolarHBondContact O-N 2.99Å; C45-R48 PolarHBondContact O-N 3.23Å; F46-R48 PolarHBondContact O-N 3.05Å |
| 49 | G | 90.9 | Very high | 91.5 | Very high | 31 Ų | 31 | 77.6 Ų | 77.6 | 32% | 0.32 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 45.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F46 T47 E51 | F46-G49 PolarHBondContact O-N 2.92Å; T47-G49 VanDerWaalsContact C-N 3.26Å; G49-E51 PolarHBondContact O-N 2.74Å |
| 50 | F | 91.4 | Very high | 91.6 | Very high | 58 Ų | 58 | 80.6 Ų | 80.6 | 25% | 0.254 | 40% | 0.396 | S | S | . | . | trans | -65.1 | 118.8 | -180 | 179.8 | -94.5 | 0 | 0 | 0 | 111.4 | G19 F39 L41 C45 Y52 H55 | G19-F50 VanDerWaalsContact CA-CE1 3.46Å; G19-F50 VanDerWaalsContact CA-CZ 3.48Å; F39-F50 HydrophobicContact CZ-CD1 4.36Å; F39-F50 HydrophobicContact CZ-CE1 4.08Å; L41-F50 HydrophobicContact CD2-CD1 3.81Å; L41-F50 HydrophobicContact CD2-CE1 4.47Å; C45-F50 HydrophobicContact CB-CB 4.14Å; C45-F50 VanDerWaalsContact O-CB 3.22Å; C45-F50 WeakPolarHBondContact O-CB 3.22Å; C45-F50 PolarHBondContact O-N 2.78Å; C45-F50 VanDerWaalsContact O-N 3.09Å; F50-Y52 HydrophobicContact CE1-CG 4.47Å; F50-Y52 HydrophobicContact CZ-CD2 4.48Å; F50-Y52 HydrophobicContact CZ-CG 4.46Å; F50-H55 PolarHBondContact O-CD2 3.25Å; F50-H55 VanDerWaalsContact O-CD2 3.3Å; F50-H55 PolarHBondContact O-NE2 3.41Å | ||
| 51 | E | 91.7 | Very high | 91.6 | Very high | 93 Ų | 93 | 85.2 Ų | 85.2 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | trans | -113.8 | 141 | 178.6 | -66.3 | 179.8 | 168.7 | 0 | 0 | 110.7 | G49 Q56 S57 | G49-E51 PolarHBondContact O-N 2.74Å; E51-Q56 PolarHBondContact OE2-OE1 3.11Å; E51-S57 VanDerWaalsContact OE1-CB 3.26Å; E51-S57 WeakPolarHBondContact OE1-CB 3.49Å; E51-S57 PolarHBondContact OE1-N 3.39Å; E51-S57 PolarHBondContact OE1-OG 3.38Å | ||
| 52 | Y | 85.1 | Confident | 91.6 | Very high | 118 Ų | 118 | 89.2 Ų | 89.2 | 46% | 0.463 | 43% | 0.431 | S | S | . | . | B | Isolated β-bridge | trans | -154.6 | 122.8 | 179.4 | -173.5 | -104 | 0 | 0 | 0 | 112.5 | F39 F50 K54 H55 | F39-Y52 HydrophobicContact CE2-CD1 4.27Å; F50-Y52 HydrophobicContact CE1-CG 4.47Å; F50-Y52 HydrophobicContact CZ-CD2 4.48Å; F50-Y52 HydrophobicContact CZ-CG 4.46Å; Y52-K54 PolarHBondContact O-N 3.47Å; Y52-H55 PolarHBondContact N-O 3.32Å; Y52-H55 VanDerWaalsContact N-O 3.14Å; Y52-H55 WeakPolarHBondContact O-CB 3.44Å; Y52-H55 PolarHBondContact O-N 2.76Å |
| 53 | K | 85.9 | Confident | 91.4 | Very high | 170 Ų | 170 | 93 Ų | 93 | 74% | 0.739 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | -101.6 | -179.2 | -65.3 | 179.3 | 176.2 | 171.7 | 0 | 112.1 | ||
| 54 | K | 87.2 | Confident | 91.3 | Very high | 185 Ų | 185 | 92 Ų | 92 | 80% | 0.804 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -10.4 | -177 | -65.6 | -174.9 | 177.3 | -176.7 | 0 | 112.7 | Y52 H59 | Y52-K54 PolarHBondContact O-N 3.47Å; K54-H59 PolarHBondContact O-CE1 2.83Å |
| 55 | H | 91.4 | Very high | 90.9 | Very high | 10 Ų | 10 | 88 Ų | 88 | 5% | 0.046 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -86.8 | 126.4 | 177.6 | 177.6 | 63 | 0 | 0 | 0 | 110.5 | C31 F39 F50 Y52 H59 | C31-H55 PolarHBondContact SG-ND1 2.97Å; F39-H55 HydrophobicContact CD1-CB 4.14Å; F39-H55 AromaticContact CD1-CD2 3.73Å; F39-H55 AromaticContact CD1-CG 3.65Å; F39-H55 AromaticContact CD1-ND1 3.91Å; F39-H55 AromaticContact CD1-NE2 4Å; F39-H55 HydrophobicContact CD2-CB 4.18Å; F39-H55 HydrophobicContact CE1-CB 3.91Å; F39-H55 AromaticContact CE1-CD2 3.15Å; F39-H55 WeakPolarHBondContact CE1-CD2 3.28Å; F39-H55 AromaticContact CE1-CG 3.45Å; F39-H55 VanDerWaalsContact CE1-CG 3.45Å; F39-H55 AromaticContact CE1-NE2 3.68Å; F39-H55 HydrophobicContact CE2-CB 3.96Å; F39-H55 HydrophobicContact CG-CB 4.26Å; F39-H55 HydrophobicContact CZ-CB 3.82Å; F39-H55 AromaticContact CZ-CD2 3.69Å; F39-H55 AromaticContact CZ-CG 3.87Å; F50-H55 PolarHBondContact O-CD2 3.25Å; F50-H55 VanDerWaalsContact O-CD2 3.3Å; F50-H55 PolarHBondContact O-NE2 3.41Å; Y52-H55 PolarHBondContact N-O 3.32Å; Y52-H55 VanDerWaalsContact N-O 3.14Å; Y52-H55 WeakPolarHBondContact O-CB 3.44Å; Y52-H55 PolarHBondContact O-N 2.76Å; H55-H59 AromaticContact ND1-ND1 3.64Å |
| 56 | Q | 92.5 | Very high | 90.4 | Very high | 78 Ų | 78 | 88.6 Ų | 88.6 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | trans | -111.9 | 153.8 | 172.6 | -57.8 | -63.6 | -33.9 | 0 | 0 | 110.2 | E51 D58 H59 | E51-Q56 PolarHBondContact OE2-OE1 3.11Å; Q56-D58 WeakPolarHBondContact CB-OD1 3.46Å; Q56-D58 PolarHBondContact O-N 2.89Å; Q56-H59 PolarHBondContact N-CE1 3.5Å; Q56-H59 WeakPolarHBondContact O-CB 3.43Å; Q56-H59 PolarHBondContact O-N 3.44Å | ||
| 57 | S | 91.3 | Very high | 89.9 | Confident | 58 Ų | 58 | 90.7 Ų | 90.7 | 41% | 0.406 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13.9 | -175.6 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | E51 | E51-S57 VanDerWaalsContact OE1-CB 3.26Å; E51-S57 WeakPolarHBondContact OE1-CB 3.49Å; E51-S57 PolarHBondContact OE1-N 3.39Å; E51-S57 PolarHBondContact OE1-OG 3.38Å |
| 58 | D | 91.3 | Very high | 89.5 | Confident | 137 Ų | 137 | 90.3 Ų | 90.3 | 73% | 0.733 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -1.8 | 177.6 | 65.6 | -15.7 | 0 | 0 | 0 | 113.9 | Q56 | Q56-D58 WeakPolarHBondContact CB-OD1 3.46Å; Q56-D58 PolarHBondContact O-N 2.89Å |
| 59 | H | 94.6 | Very high | 89 | Confident | 31 Ų | 31 | 84.7 Ų | 84.7 | 14% | 0.144 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -60.2 | 143.5 | 175.5 | -74.1 | -171 | 0 | 0 | 0 | 111.8 | C31 E33 C34 K54 H55 Q56 | C31-H59 VanDerWaalsContact SG-CB 3.55Å; C31-H59 PolarHBondContact SG-ND1 2.85Å; C31-H59 VanDerWaalsContact SG-ND1 3.44Å; E33-H59 HydrophobicContact CB-CB 4.46Å; E33-H59 HydrophobicContact CG-CB 4.5Å; E33-H59 IonicContact OE2-CD2 3.93Å; E33-H59 IonicContact OE2-CG 3.05Å; E33-H59 IonicContact OE2-NE2 2.65Å; C34-H59 VanDerWaalsContact SG-CE1 3.59Å; C34-H59 PolarHBondContact SG-ND1 3.25Å; C34-H59 VanDerWaalsContact SG-ND1 3.37Å; K54-H59 PolarHBondContact O-CE1 2.83Å; H55-H59 AromaticContact ND1-ND1 3.64Å; Q56-H59 PolarHBondContact N-CE1 3.5Å; Q56-H59 WeakPolarHBondContact O-CB 3.43Å; Q56-H59 PolarHBondContact O-N 3.44Å |
| 60 | T | 94.3 | Very high | 88.4 | Confident | 83 Ų | 83 | 87.1 Ų | 87.1 | 51% | 0.509 | 43% | 0.432 | S | S | . | . | trans | -58.4 | 143.4 | 169.6 | 54.5 | 0 | 0 | 0 | 0 | 110.9 | A32 E33 | A32-T60 WeakPolarHBondContact CB-O 3.4Å; A32-T60 PolarHBondContact N-O 3.36Å; E33-T60 VanDerWaalsContact CG-OG1 3.32Å; E33-T60 WeakPolarHBondContact CG-OG1 3.39Å; E33-T60 WeakPolarHBondContact OE1-CB 3.23Å; E33-T60 PolarHBondContact OE1-N 3.26Å; E33-T60 PolarHBondContact OE1-OG1 2.93Å | ||
| 61 | Y | 92.8 | Very high | 87.9 | Confident | 120 Ų | 120 | 86.2 Ų | 86.2 | 47% | 0.471 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 155.2 | -170 | 69.6 | -90.6 | 0 | 0 | 0 | 112.4 | V29 K30 F46 I63 | V29-Y61 HydrophobicContact CG1-CD2 3.82Å; V29-Y61 HydrophobicContact CG1-CG 4.02Å; K30-Y61 CarbonylContact O-C 3.44Å; K30-Y61 WeakPolarHBondContact O-CA 3.49Å; F46-Y61 HydrophobicContact CE1-CE1 4.39Å; F46-Y61 HydrophobicContact CE1-CE2 4.33Å; F46-Y61 AromaticContact CE2-CD1 3.99Å; F46-Y61 HydrophobicContact CE2-CD1 3.99Å; F46-Y61 HydrophobicContact CE2-CD2 4.45Å; F46-Y61 HydrophobicContact CE2-CE1 4.41Å; F46-Y61 HydrophobicContact CE2-CG 4.02Å; F46-Y61 AromaticContact CZ-CD1 3.6Å; F46-Y61 HydrophobicContact CZ-CD1 3.6Å; F46-Y61 HydrophobicContact CZ-CD2 4.04Å; F46-Y61 AromaticContact CZ-CE1 3.57Å; F46-Y61 HydrophobicContact CZ-CE1 3.57Å; F46-Y61 HydrophobicContact CZ-CE2 4.01Å; F46-Y61 AromaticContact CZ-CG 3.85Å; F46-Y61 HydrophobicContact CZ-CG 3.85Å; F46-Y61 AromaticContact CZ-CZ 3.78Å; Y61-I63 HydrophobicContact CD2-CG1 4.18Å; Y61-I63 HydrophobicContact CE2-CD1 4.18Å; Y61-I63 HydrophobicContact CE2-CG1 3.89Å |
| 62 | E | 91.8 | Very high | 87.3 | Confident | 87 Ų | 87 | 83.1 Ų | 83.1 | 41% | 0.407 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 136.2 | 176.1 | -64.2 | 173 | 171.4 | 0 | 0 | 108.6 | K30 A32 | K30-E62 HydrophobicContact CB-CB 4.44Å; K30-E62 PolarHBondContact N-O 3.31Å; K30-E62 IonicContact NZ-OE2 3.21Å; K30-E62 PolarHBondContact NZ-OE2 2.88Å; K30-E62 PolarHBondContact O-N 2.93Å; A32-E62 HydrophobicContact CB-CG 4.46Å |
| 63 | I | 90.3 | Very high | 87.2 | Confident | 101 Ų | 101 | 82.7 Ų | 82.7 | 52% | 0.518 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 119.2 | 172.8 | -58.1 | 175.1 | 0 | 0 | 0 | 107.7 | P27 Y61 T65 | P27-I63 HydrophobicContact CB-CG2 4.28Å; Y61-I63 HydrophobicContact CD2-CG1 4.18Å; Y61-I63 HydrophobicContact CE2-CD1 4.18Å; Y61-I63 HydrophobicContact CE2-CG1 3.89Å; I63-T65 HydrophobicContact CG2-CG2 4.49Å |
| 64 | M | 88.9 | Confident | 87.1 | Confident | 62 Ų | 62 | 80.3 Ų | 80.3 | 31% | 0.305 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 115.6 | 176.9 | -56.2 | -56.4 | -58.9 | 0 | 0 | 108.8 | P27 Y28 K30 | P27-M64 VanDerWaalsContact CA-O 3.22Å; P27-M64 WeakPolarHBondContact CA-O 3.44Å; Y28-M64 HydrophobicContact CD1-CB 4.25Å; Y28-M64 HydrophobicContact CD2-CB 4.06Å; Y28-M64 HydrophobicContact CD2-CG 4.05Å; Y28-M64 HydrophobicContact CE1-CB 3.93Å; Y28-M64 HydrophobicContact CE2-CB 3.74Å; Y28-M64 HydrophobicContact CE2-CG 3.56Å; Y28-M64 HydrophobicContact CG-CB 4.3Å; Y28-M64 PolarHBondContact N-O 3.03Å; Y28-M64 PolarHBondContact O-N 3.42Å; K30-M64 HydrophobicContact CB-CG 4.07Å; K30-M64 HydrophobicContact CB-SD 4.33Å; K30-M64 HydrophobicContact CD-SD 4.2Å |
| 65 | T | 86.3 | Confident | 87.1 | Confident | 50 Ų | 50 | 72.2 Ų | 72.2 | 31% | 0.307 | 39% | 0.387 | S | S | . | . | trans | -153.1 | 142.9 | 177.1 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | I63 D67 F68 | I63-T65 HydrophobicContact CG2-CG2 4.49Å; T65-D67 PolarHBondContact OG1-N 3.46Å; T65-F68 WeakPolarHBondContact O-CD1 3.38Å; T65-F68 WeakPolarHBondContact O-CE1 3.28Å | ||
| 66 | S | 82.4 | Confident | 86.9 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 17% | 0.168 | 40% | 0.397 | C | S | . | . | trans | -105.2 | 10.9 | 174.4 | -52.8 | 0 | 0 | 0 | 0 | 113.1 | E26 F68 A77 Q78 | E26-S66 VanDerWaalsContact OE2-CB 3.26Å; E26-S66 WeakPolarHBondContact OE2-CB 3.41Å; E26-S66 PolarHBondContact OE2-N 2.97Å; E26-S66 PolarHBondContact OE2-OG 2.63Å; S66-F68 VanDerWaalsContact C-N 3.26Å; S66-F68 PolarHBondContact O-N 2.88Å; S66-F68 VanDerWaalsContact O-N 3.13Å; S66-A77 WeakPolarHBondContact O-CB 3.38Å; S66-A77 PolarHBondContact O-N 3.45Å; S66-Q78 PolarHBondContact O-N 2.97Å; S66-Q78 VanDerWaalsContact O-N 3.15Å | ||
| 67 | D | 83.1 | Confident | 86.5 | Confident | 97 Ų | 97 | 70.6 Ų | 70.6 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | trans | -87.9 | 46 | -176.8 | -63.5 | -42.7 | 0 | 0 | 0 | 112.7 | T65 | T65-D67 PolarHBondContact OG1-N 3.46Š| ||
| 68 | F | 82.5 | Confident | 86.3 | Confident | 106 Ų | 106 | 73 Ų | 73 | 47% | 0.465 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -135.9 | 147.6 | 179 | 65.6 | -88.5 | 0 | 0 | 0 | 111.2 | T65 S66 V70 T76 A77 | T65-F68 WeakPolarHBondContact O-CD1 3.38Å; T65-F68 WeakPolarHBondContact O-CE1 3.28Å; S66-F68 VanDerWaalsContact C-N 3.26Å; S66-F68 PolarHBondContact O-N 2.88Å; S66-F68 VanDerWaalsContact O-N 3.13Å; F68-V70 HydrophobicContact CD2-CG2 4.22Å; F68-V70 HydrophobicContact CE2-CG2 3.79Å; F68-V70 HydrophobicContact CZ-CG2 4.5Å; F68-T76 CarbonylContact O-C 3.51Å; F68-T76 WeakPolarHBondContact O-CA 3.29Å; F68-A77 HydrophobicContact CD1-CB 4.48Å; F68-A77 HydrophobicContact CE1-CB 4.09Å; F68-A77 HydrophobicContact CE2-CB 4.23Å; F68-A77 HydrophobicContact CZ-CB 3.95Å; F68-A77 PolarHBondContact O-N 3.31Å |
| 69 | P | 84.3 | Confident | 86.2 | Confident | 79 Ų | 79 | 67.9 Ų | 67.9 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -73.6 | 139 | -179.9 | 28.8 | -33.3 | 0 | 0 | 0 | 112.4 | D72 W75 | P69-D72 WeakPolarHBondContact CB-O 3.34Å; P69-W75 VanDerWaalsContact CA-O 3.22Å; P69-W75 WeakPolarHBondContact CA-O 3.43Å |
| 70 | V | 78.1 | Confident | 85.9 | Confident | 82 Ų | 82 | 67 Ų | 67 | 50% | 0.497 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -109.8 | -61.7 | -179.5 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | F68 A77 | F68-V70 HydrophobicContact CD2-CG2 4.22Å; F68-V70 HydrophobicContact CE2-CG2 3.79Å; F68-V70 HydrophobicContact CZ-CG2 4.5Å; V70-A77 HydrophobicContact CG2-CB 3.44Å; V70-A77 VanDerWaalsContact CG2-CB 3.44Å |
| 71 | L | 79.8 | Confident | 85.6 | Confident | 40 Ų | 40 | 68.4 Ų | 68.4 | 21% | 0.209 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -105.1 | -35.3 | -172.8 | -57.4 | 176.2 | 0 | 0 | 0 | 112.6 | H117 F118 | L71-H117 HydrophobicContact CD1-CB 4.19Å; L71-F118 HydrophobicContact CD1-CE1 4.33Å; L71-F118 HydrophobicContact CD1-CE2 4.04Å; L71-F118 HydrophobicContact CD1-CZ 3.72Å |
| 72 | D | 79.3 | Confident | 85.4 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 15% | 0.15 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -131.4 | 137.3 | 176.9 | -168.6 | -60.9 | 0 | 0 | 0 | 108.9 | P69 N74 W75 K116 H117 | P69-D72 WeakPolarHBondContact CB-O 3.34Å; D72-N74 PolarHBondContact O-N 3.46Å; D72-N74 WeakPolarHBondContact OD1-CB 3.23Å; D72-N74 PolarHBondContact OD1-N 2.89Å; D72-W75 HydrophobicContact CB-CB 4.27Å; D72-W75 HydrophobicContact CB-CG 4.37Å; D72-W75 PolarHBondContact O-N 3.21Å; D72-W75 VanDerWaalsContact O-O 3.1Å; D72-K116 IonicContact OD2-NZ 2.98Å; D72-H117 IonicContact OD2-NE2 3.2Å |
| 73 | P | 83.1 | Confident | 85.3 | Confident | 108 Ų | 108 | 60.1 Ų | 60.1 | 70% | 0.701 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20 | 178.6 | 23.5 | -35.7 | 0 | 0 | 0 | 114.1 | ||
| 74 | N | 84.1 | Confident | 85.3 | Confident | 121 Ų | 121 | 58.8 Ų | 58.8 | 65% | 0.647 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 1.5 | 178.4 | -60.5 | -41 | 0 | 0 | 0 | 113.8 | D72 K105 | D72-N74 PolarHBondContact O-N 3.46Å; D72-N74 WeakPolarHBondContact OD1-CB 3.23Å; D72-N74 PolarHBondContact OD1-N 2.89Å; N74-K105 PolarHBondContact O-NZ 3.03Å |
| 75 | W | 86.8 | Confident | 85.3 | Confident | 15 Ų | 15 | 58 Ų | 58 | 6% | 0.057 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -125.3 | 120.3 | -176.7 | -76.4 | 77.5 | 0 | 0 | 0 | 111 | P69 D72 E79 E80 L83 M102 K105 H113 | P69-W75 VanDerWaalsContact CA-O 3.22Å; P69-W75 WeakPolarHBondContact CA-O 3.43Å; D72-W75 HydrophobicContact CB-CB 4.27Å; D72-W75 HydrophobicContact CB-CG 4.37Å; D72-W75 PolarHBondContact O-N 3.21Å; D72-W75 VanDerWaalsContact O-O 3.1Å; W75-E79 WeakPolarHBondContact CA-OE2 3.47Å; W75-E79 HydrophobicContact CE3-CB 3.85Å; W75-E79 HydrophobicContact CZ3-CB 4.34Å; W75-E80 WeakPolarHBondContact CB-OE1 3.42Å; W75-L83 HydrophobicContact CH2-CD1 4.49Å; W75-L83 HydrophobicContact CH2-CD2 3.98Å; W75-L83 HydrophobicContact CZ3-CB 4.17Å; W75-L83 HydrophobicContact CZ3-CD2 3.83Å; W75-L83 HydrophobicContact CZ3-CG 4.43Å; W75-M102 HydrophobicContact CH2-CE 4.24Å; W75-M102 HydrophobicContact CZ3-CE 3.67Å; W75-K105 HydrophobicContact CH2-CB 4.08Å; W75-K105 HydrophobicContact CH2-CD 4.41Å; W75-K105 HydrophobicContact CH2-CG 3.64Å; W75-K105 HydrophobicContact CZ2-CB 4.3Å; W75-K105 HydrophobicContact CZ2-CD 4.1Å; W75-K105 HydrophobicContact CZ2-CG 3.8Å; W75-K105 HydrophobicContact CZ3-CG 4.06Å; W75-H113 AromaticContact CD1-CE1 3.59Å; W75-H113 AromaticContact CD1-ND1 3.61Å; W75-H113 AromaticContact CD2-CD2 3.62Å; W75-H113 AromaticContact CD2-CE1 3.8Å; W75-H113 AromaticContact CD2-CG 3.84Å; W75-H113 AromaticContact CD2-ND1 4Å; W75-H113 AromaticContact CD2-NE2 3.59Å; W75-H113 AromaticContact CE2-CD2 3.67Å; W75-H113 AromaticContact CE2-CG 3.43Å; W75-H113 VanDerWaalsContact CE2-CG 3.43Å; W75-H113 AromaticContact CE2-ND1 3.71Å; W75-H113 AromaticContact CE3-CD2 3.75Å; W75-H113 AromaticContact CE3-NE2 3.86Å; W75-H113 AromaticContact CG-CE1 3.55Å; W75-H113 AromaticContact CG-ND1 3.95Å; W75-H113 AromaticContact CG-NE2 3.73Å; W75-H113 HydrophobicContact CH2-CB 4.11Å; W75-H113 AromaticContact CH2-CD2 3.99Å; W75-H113 HydrophobicContact CZ2-CB 3.49Å; W75-H113 VanDerWaalsContact CZ2-CB 3.49Å; W75-H113 AromaticContact CZ2-CD2 3.87Å; W75-H113 AromaticContact CZ2-CG 3.63Å; W75-H113 AromaticContact CZ3-CD2 3.94Å; W75-H113 AromaticContact NE1-CE1 3.85Å; W75-H113 AromaticContact NE1-CG 3.65Å; W75-H113 AromaticContact NE1-ND1 3.44Å; W75-H113 PolarHBondContact NE1-ND1 3.18Å |
| 76 | T | 87.6 | Confident | 85.4 | Confident | 39 Ų | 39 | 55.6 Ų | 55.6 | 24% | 0.239 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -80 | 157.7 | 176.5 | 65.6 | 0 | 0 | 0 | 0 | 111.8 | F68 Q78 E79 E80 | F68-T76 CarbonylContact O-C 3.51Å; F68-T76 WeakPolarHBondContact O-CA 3.29Å; T76-Q78 PolarHBondContact O-N 3.14Å; T76-E79 PolarHBondContact N-OE2 3.39Å; T76-E79 VanDerWaalsContact N-OE2 3.1Å; T76-E79 WeakPolarHBondContact O-CA 3.27Å; T76-E79 WeakPolarHBondContact O-CB 3.44Å; T76-E79 PolarHBondContact O-N 2.85Å; T76-E79 WeakPolarHBondContact OG1-CG 3.46Å; T76-E79 PolarHBondContact OG1-N 2.97Å; T76-E80 WeakPolarHBondContact O-CG 3.48Å; T76-E80 PolarHBondContact O-N 3.5Å |
| 77 | A | 83.9 | Confident | 85.8 | Confident | 14 Ų | 14 | 55 Ų | 55 | 12% | 0.116 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.7 | -37.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S66 F68 V70 E80 M81 | S66-A77 WeakPolarHBondContact O-CB 3.38Å; S66-A77 PolarHBondContact O-N 3.45Å; F68-A77 HydrophobicContact CD1-CB 4.48Å; F68-A77 HydrophobicContact CE1-CB 4.09Å; F68-A77 HydrophobicContact CE2-CB 4.23Å; F68-A77 HydrophobicContact CZ-CB 3.95Å; F68-A77 PolarHBondContact O-N 3.31Å; V70-A77 HydrophobicContact CG2-CB 3.44Å; V70-A77 VanDerWaalsContact CG2-CB 3.44Å; A77-E80 PolarHBondContact O-N 3.49Å; A77-M81 WeakPolarHBondContact O-CG 3.46Å; A77-M81 PolarHBondContact O-N 3.08Å |
| 78 | Q | 86.5 | Confident | 86.1 | Confident | 110 Ų | 110 | 56.8 Ų | 56.8 | 51% | 0.514 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 173.9 | -170.8 | 177.5 | -11.5 | 0 | 0 | 112.6 | S66 T76 M81 A82 | S66-Q78 PolarHBondContact O-N 2.97Å; S66-Q78 VanDerWaalsContact O-N 3.15Å; T76-Q78 PolarHBondContact O-N 3.14Å; Q78-M81 PolarHBondContact O-N 3.28Å; Q78-A82 VanDerWaalsContact O-CB 3.32Å; Q78-A82 WeakPolarHBondContact O-CB 3.4Å; Q78-A82 PolarHBondContact O-N 2.63Å |
| 79 | E | 89.8 | Confident | 86.3 | Confident | 29 Ų | 29 | 55 Ų | 55 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.2 | -37 | 176 | -70.9 | 177.9 | 141.7 | 0 | 0 | 111.9 | W75 T76 A82 L83 M102 T104 K105 | W75-E79 WeakPolarHBondContact CA-OE2 3.47Å; W75-E79 HydrophobicContact CE3-CB 3.85Å; W75-E79 HydrophobicContact CZ3-CB 4.34Å; T76-E79 PolarHBondContact N-OE2 3.39Å; T76-E79 VanDerWaalsContact N-OE2 3.1Å; T76-E79 WeakPolarHBondContact O-CA 3.27Å; T76-E79 WeakPolarHBondContact O-CB 3.44Å; T76-E79 PolarHBondContact O-N 2.85Å; T76-E79 WeakPolarHBondContact OG1-CG 3.46Å; T76-E79 PolarHBondContact OG1-N 2.97Å; E79-A82 PolarHBondContact O-N 3.01Å; E79-L83 WeakPolarHBondContact O-CB 3.47Å; E79-L83 PolarHBondContact O-N 3.3Å; E79-M102 HydrophobicContact CB-CE 4.32Å; E79-M102 VanDerWaalsContact O-CE 3.3Å; E79-M102 WeakPolarHBondContact O-CE 3.39Å; E79-T104 WeakPolarHBondContact OE1-CB 3.48Å; E79-T104 PolarHBondContact OE1-OG1 2.67Å; E79-K105 VanDerWaalsContact CD-CE 3.43Å; E79-K105 WeakPolarHBondContact OE1-CE 3.37Å; E79-K105 IonicContact OE1-NZ 2.88Å; E79-K105 PolarHBondContact OE1-NZ 2.96Å; E79-K105 VanDerWaalsContact OE2-CE 3.25Å; E79-K105 WeakPolarHBondContact OE2-CE 3.42Å; E79-K105 IonicContact OE2-NZ 2.81Å; E79-K105 PolarHBondContact OE2-NZ 3.1Å |
| 80 | E | 89 | Confident | 86.5 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 175.6 | -61.8 | -71.5 | -174.2 | 0 | 0 | 111.4 | W75 T76 A77 L83 L84 H113 | W75-E80 WeakPolarHBondContact CB-OE1 3.42Å; T76-E80 WeakPolarHBondContact O-CG 3.48Å; T76-E80 PolarHBondContact O-N 3.5Å; A77-E80 PolarHBondContact O-N 3.49Å; E80-L83 PolarHBondContact O-N 3.4Å; E80-L84 WeakPolarHBondContact O-CG 3.4Å; E80-L84 PolarHBondContact O-N 2.94Å; E80-H113 IonicContact OE1-CE1 3.61Å; E80-H113 PolarHBondContact OE1-CE1 3.4Å; E80-H113 VanDerWaalsContact OE1-CE1 3.31Å; E80-H113 IonicContact OE1-NE2 2.79Å; E80-H113 PolarHBondContact OE1-NE2 3.33Å; E80-H113 IonicContact OE2-CD2 2.58Å; E80-H113 IonicContact OE2-CE1 2.72Å; E80-H113 IonicContact OE2-NE2 3.89Å; E80-H113 PolarHBondContact OE2-NE2 2.96Å |
| 81 | M | 86.4 | Confident | 86.8 | Confident | 112 Ų | 112 | 50.6 Ų | 50.6 | 55% | 0.552 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.6 | -46.9 | 176.5 | -71.6 | -174.2 | 60.4 | 0 | 0 | 111.7 | A77 Q78 L83 L84 E85 | A77-M81 WeakPolarHBondContact O-CG 3.46Å; A77-M81 PolarHBondContact O-N 3.08Å; Q78-M81 PolarHBondContact O-N 3.28Å; M81-L83 PolarHBondContact O-N 2.97Å; M81-L84 PolarHBondContact O-N 3.41Å; M81-E85 PolarHBondContact O-N 2.87Å |
| 82 | A | 88.5 | Confident | 87.2 | Confident | 34 Ų | 34 | 54.4 Ų | 54.4 | 28% | 0.281 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.1 | -35.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q78 E79 A86 M102 | Q78-A82 VanDerWaalsContact O-CB 3.32Å; Q78-A82 WeakPolarHBondContact O-CB 3.4Å; Q78-A82 PolarHBondContact O-N 2.63Å; E79-A82 PolarHBondContact O-N 3.01Å; A82-A86 WeakPolarHBondContact O-CB 3.34Å; A82-A86 PolarHBondContact O-N 2.94Å; A82-M102 HydrophobicContact CB-CE 4.35Å; A82-M102 HydrophobicContact CB-SD 3.45Å; A82-M102 WeakPolarHBondContact CB-SD 3.05Å |
| 83 | L | 91 | Very high | 87.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 178.1 | 179.2 | 66 | 0 | 0 | 0 | 111.1 | W75 E79 E80 M81 A86 V87 V98 M102 C110 Y114 | W75-L83 HydrophobicContact CH2-CD1 4.49Å; W75-L83 HydrophobicContact CH2-CD2 3.98Å; W75-L83 HydrophobicContact CZ3-CB 4.17Å; W75-L83 HydrophobicContact CZ3-CD2 3.83Å; W75-L83 HydrophobicContact CZ3-CG 4.43Å; E79-L83 WeakPolarHBondContact O-CB 3.47Å; E79-L83 PolarHBondContact O-N 3.3Å; E80-L83 PolarHBondContact O-N 3.4Å; M81-L83 PolarHBondContact O-N 2.97Å; L83-A86 PolarHBondContact O-N 2.92Å; L83-V87 HydrophobicContact CD1-CG2 4.39Å; L83-V87 WeakPolarHBondContact O-CB 3.41Å; L83-V87 VanDerWaalsContact O-CG2 3.26Å; L83-V87 WeakPolarHBondContact O-CG2 3.44Å; L83-V87 PolarHBondContact O-N 2.88Å; L83-V98 HydrophobicContact CD1-CG1 3.79Å; L83-M102 WeakPolarHBondContact CA-SD 3.45Å; L83-M102 HydrophobicContact CB-CE 3.89Å; L83-M102 HydrophobicContact CB-SD 3.99Å; L83-M102 HydrophobicContact CD1-CG 4.48Å; L83-M102 PolarHBondContact N-SD 2.89Å; L83-C110 HydrophobicContact CD1-CB 3.75Å; L83-Y114 HydrophobicContact CD2-CD2 4.33Å; L83-Y114 HydrophobicContact CG-CD2 4.48Å |
| 84 | L | 90.3 | Very high | 87.8 | Confident | 73 Ų | 73 | 53 Ų | 53 | 38% | 0.382 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 179 | -65.9 | 179.7 | 0 | 0 | 0 | 111.8 | E80 M81 V87 M88 Y114 F118 | E80-L84 WeakPolarHBondContact O-CG 3.4Å; E80-L84 PolarHBondContact O-N 2.94Å; M81-L84 PolarHBondContact O-N 3.41Å; L84-V87 PolarHBondContact O-N 3.3Å; L84-M88 WeakPolarHBondContact O-CB 3.48Å; L84-M88 PolarHBondContact O-N 3.47Å; L84-Y114 HydrophobicContact CD2-CD2 4.35Å; L84-Y114 HydrophobicContact CD2-CE2 3.78Å; L84-F118 HydrophobicContact CD1-CE1 3.95Å; L84-F118 HydrophobicContact CD1-CZ 4.36Å; L84-F118 HydrophobicContact CD2-CD1 4.01Å; L84-F118 HydrophobicContact CD2-CE1 3.77Å; L84-F118 HydrophobicContact CD2-CZ 4.07Å; L84-F118 HydrophobicContact CG-CE1 4.23Å; L84-F118 HydrophobicContact CG-CZ 4.35Å |
| 85 | E | 87.9 | Confident | 88.2 | Confident | 45 Ų | 45 | 48 Ų | 48 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.6 | -48.4 | 173 | -73 | 179.1 | -170.8 | 0 | 0 | 110.9 | S8 M81 V87 M88 D89 | S8-E85 WeakPolarHBondContact CB-OE2 3.44Å; S8-E85 PolarHBondContact OG-OE2 3.39Å; M81-E85 PolarHBondContact O-N 2.87Å; E85-V87 VanDerWaalsContact C-N 3.34Å; E85-V87 PolarHBondContact O-N 3.2Å; E85-M88 WeakPolarHBondContact O-CB 3.41Å; E85-M88 PolarHBondContact O-N 2.89Å; E85-M88 VanDerWaalsContact O-N 3.14Å; E85-D89 PolarHBondContact O-N 3.48Å |
| 86 | A | 89.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.5 | -37.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A82 L83 C90 V98 Q101 M102 | A82-A86 WeakPolarHBondContact O-CB 3.34Å; A82-A86 PolarHBondContact O-N 2.94Å; L83-A86 PolarHBondContact O-N 2.92Å; A86-C90 WeakPolarHBondContact O-CB 3.3Å; A86-C90 PolarHBondContact O-N 3.45Å; A86-V98 HydrophobicContact CB-CB 4.45Å; A86-V98 HydrophobicContact CB-CG1 3.9Å; A86-Q101 HydrophobicContact CB-CB 4.02Å; A86-Q101 HydrophobicContact CB-CG 3.95Å; A86-M102 HydrophobicContact CB-CG 4.27Å |
| 87 | V | 91.1 | Very high | 88.5 | Confident | 10 Ų | 10 | 53.2 Ų | 53.2 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 174.3 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | L83 L84 E85 G91 F92 W95 V98 Y114 | L83-V87 HydrophobicContact CD1-CG2 4.39Å; L83-V87 WeakPolarHBondContact O-CB 3.41Å; L83-V87 VanDerWaalsContact O-CG2 3.26Å; L83-V87 WeakPolarHBondContact O-CG2 3.44Å; L83-V87 PolarHBondContact O-N 2.88Å; L84-V87 PolarHBondContact O-N 3.3Å; E85-V87 VanDerWaalsContact C-N 3.34Å; E85-V87 PolarHBondContact O-N 3.2Å; V87-G91 CarbonylContact O-C 3.57Å; V87-G91 VanDerWaalsContact O-CA 3.22Å; V87-G91 WeakPolarHBondContact O-CA 3.36Å; V87-G91 PolarHBondContact O-N 2.78Å; V87-F92 HydrophobicContact CG1-CB 4.4Å; V87-W95 HydrophobicContact CG2-CH2 4.34Å; V87-W95 HydrophobicContact CG2-CZ3 3.75Å; V87-V98 HydrophobicContact CG2-CG1 4.02Å; V87-V98 HydrophobicContact CG2-CG2 4.08Å; V87-Y114 HydrophobicContact CB-CE2 4.34Å; V87-Y114 HydrophobicContact CG1-CE2 4.06Å; V87-Y114 HydrophobicContact CG2-CD2 4.1Å; V87-Y114 HydrophobicContact CG2-CE2 4.11Å |
| 88 | M | 88.1 | Confident | 88.8 | Confident | 136 Ų | 136 | 52.6 Ų | 52.6 | 67% | 0.67 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.8 | -44.1 | 175.2 | -177.2 | 179.5 | 66.2 | 0 | 0 | 111.5 | L84 E85 | L84-M88 WeakPolarHBondContact O-CB 3.48Å; L84-M88 PolarHBondContact O-N 3.47Å; E85-M88 WeakPolarHBondContact O-CB 3.41Å; E85-M88 PolarHBondContact O-N 2.89Å; E85-M88 VanDerWaalsContact O-N 3.14Å |
| 89 | D | 86.5 | Confident | 89 | Confident | 68 Ų | 68 | 47.8 Ų | 47.8 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -74.6 | -48 | -178.5 | -69.5 | -20.1 | 0 | 0 | 0 | 112.6 | E85 Q101 | E85-D89 PolarHBondContact O-N 3.48Å; D89-Q101 PolarHBondContact OD2-NE2 2.95Å |
| 90 | C | 88.9 | Confident | 89 | Confident | 36 Ų | 36 | 51 Ų | 51 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -87.6 | -14.8 | -173.8 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | A86 D97 V98 Q101 | A86-C90 WeakPolarHBondContact O-CB 3.3Å; A86-C90 PolarHBondContact O-N 3.45Å; C90-D97 HydrophobicContact CB-CB 4.08Å; C90-V98 HydrophobicContact CB-CG2 3.83Å; C90-Q101 PolarHBondContact SG-OE1 2.5Å |
| 91 | G | 85.1 | Confident | 88.9 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 33% | 0.33 | 30% | 0.295 | S | S | . | . | trans | 84.2 | 143.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V87 G93 N94 | V87-G91 CarbonylContact O-C 3.57Å; V87-G91 VanDerWaalsContact O-CA 3.22Å; V87-G91 WeakPolarHBondContact O-CA 3.36Å; V87-G91 PolarHBondContact O-N 2.78Å; G91-G93 PolarHBondContact O-N 3.01Å; G91-N94 PolarHBondContact O-N 3.46Å | ||
| 92 | F | 87.7 | Confident | 88.8 | Confident | 120 Ų | 120 | 48.8 Ų | 48.8 | 53% | 0.526 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 131.5 | 178 | 178.3 | -96.1 | 0 | 0 | 0 | 112.1 | V87 W95 Y114 M115 | V87-F92 HydrophobicContact CG1-CB 4.4Å; F92-W95 HydrophobicContact CD2-CH2 4.07Å; F92-W95 HydrophobicContact CD2-CZ2 4.07Å; F92-W95 HydrophobicContact CE2-CH2 4.14Å; F92-W95 AromaticContact CE2-CZ2 3.94Å; F92-W95 HydrophobicContact CE2-CZ2 3.94Å; F92-Y114 HydrophobicContact CD2-CD1 4.24Å; F92-Y114 AromaticContact CD2-CE1 3.68Å; F92-Y114 HydrophobicContact CD2-CE1 3.68Å; F92-Y114 AromaticContact CE2-CD1 3.85Å; F92-Y114 HydrophobicContact CE2-CD1 3.85Å; F92-Y114 AromaticContact CE2-CE1 3.5Å; F92-Y114 HydrophobicContact CE2-CE1 3.5Å; F92-Y114 VanDerWaalsContact CE2-CE1 3.5Å; F92-M115 HydrophobicContact CE1-CE 4.21Å; F92-M115 HydrophobicContact CE2-CE 3.48Å; F92-M115 VanDerWaalsContact CE2-CE 3.48Å; F92-M115 HydrophobicContact CE2-SD 4.44Å; F92-M115 HydrophobicContact CZ-CE 3.2Å; F92-M115 HydrophobicContact CZ-SD 4.21Å |
| 93 | G | 84.1 | Confident | 88.5 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 46% | 0.464 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -15.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G91 W95 | G91-G93 PolarHBondContact O-N 3.01Å; G93-W95 VanDerWaalsContact C-N 3.27Å; G93-W95 PolarHBondContact O-N 3.03Å; G93-W95 VanDerWaalsContact O-N 3.14Å |
| 94 | N | 90.4 | Very high | 88.1 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 33% | 0.326 | 32% | 0.319 | S | S | . | . | trans | -88.4 | 57.8 | 175.1 | -166.2 | 4.9 | 0 | 0 | 0 | 112.2 | G91 Q96 D97 V98 | G91-N94 PolarHBondContact O-N 3.46Å; N94-Q96 PolarHBondContact O-N 3.45Å; N94-Q96 VanDerWaalsContact O-N 3.1Å; N94-D97 PolarHBondContact ND2-OD2 3.02Å; N94-D97 PolarHBondContact O-N 3.05Å; N94-D97 PolarHBondContact OD1-OD2 3.17Å; N94-V98 WeakPolarHBondContact O-CG2 3.36Å; N94-V98 PolarHBondContact O-N 3.42Å; N94-V98 VanDerWaalsContact O-N 3.15Å | ||
| 95 | W | 92.8 | Very high | 88.1 | Confident | 17 Ų | 17 | 55 Ų | 55 | 6% | 0.064 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -20.7 | -172.4 | -55.6 | 117.9 | 0 | 0 | 0 | 114.6 | V87 F92 G93 V98 A99 K107 C110 E111 Y114 M115 | V87-W95 HydrophobicContact CG2-CH2 4.34Å; V87-W95 HydrophobicContact CG2-CZ3 3.75Å; F92-W95 HydrophobicContact CD2-CH2 4.07Å; F92-W95 HydrophobicContact CD2-CZ2 4.07Å; F92-W95 HydrophobicContact CE2-CH2 4.14Å; F92-W95 AromaticContact CE2-CZ2 3.94Å; F92-W95 HydrophobicContact CE2-CZ2 3.94Å; G93-W95 VanDerWaalsContact C-N 3.27Å; G93-W95 PolarHBondContact O-N 3.03Å; G93-W95 VanDerWaalsContact O-N 3.14Å; W95-V98 HydrophobicContact CE3-CB 4.44Å; W95-V98 HydrophobicContact CE3-CG1 4.33Å; W95-V98 HydrophobicContact CE3-CG2 4.45Å; W95-A99 VanDerWaalsContact O-CB 3.31Å; W95-A99 WeakPolarHBondContact O-CB 3.39Å; W95-A99 PolarHBondContact O-N 3.27Å; W95-K107 HydrophobicContact CB-CB 4.06Å; W95-K107 WeakPolarHBondContact O-CB 3.07Å; W95-C110 HydrophobicContact CE3-CB 4.4Å; W95-E111 HydrophobicContact CB-CB 4.47Å; W95-E111 HydrophobicContact CD2-CB 3.67Å; W95-E111 HydrophobicContact CD2-CG 4.11Å; W95-E111 HydrophobicContact CE3-CB 4.21Å; W95-E111 HydrophobicContact CG-CB 3.75Å; W95-E111 HydrophobicContact CG-CG 4.22Å; W95-E111 HydrophobicContact CZ2-CB 4.42Å; W95-E111 HydrophobicContact CZ2-CG 4.19Å; W95-E111 PolarHBondContact NE1-OE1 3.47Å; W95-E111 VanDerWaalsContact NE1-OE1 3.16Å; W95-Y114 AromaticContact CH2-CD1 3.68Å; W95-Y114 HydrophobicContact CH2-CD1 3.68Å; W95-Y114 HydrophobicContact CH2-CD2 4.48Å; W95-Y114 HydrophobicContact CH2-CE1 4.4Å; W95-Y114 AromaticContact CH2-CG 3.72Å; W95-Y114 HydrophobicContact CH2-CG 3.72Å; W95-Y114 HydrophobicContact CZ2-CD1 4.49Å; W95-Y114 HydrophobicContact CZ3-CG 4.16Å; W95-M115 HydrophobicContact CZ2-CE 3.69Å |
| 96 | Q | 91.8 | Very high | 88.3 | Confident | 91 Ų | 91 | 54.9 Ų | 54.9 | 43% | 0.425 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.2 | -46.7 | 177 | -172.5 | 63.4 | 60.9 | 0 | 0 | 111 | N94 N100 K107 | N94-Q96 PolarHBondContact O-N 3.45Å; N94-Q96 VanDerWaalsContact O-N 3.1Å; Q96-N100 PolarHBondContact O-N 3.32Å; Q96-N100 VanDerWaalsContact O-N 3.15Å; Q96-N100 PolarHBondContact O-ND2 3.12Å; Q96-N100 VanDerWaalsContact O-ND2 3.17Å; Q96-N100 PolarHBondContact O-OD1 3.36Å; Q96-K107 VanDerWaalsContact OE1-CD 3.28Å |
| 97 | D | 88.9 | Confident | 88.5 | Confident | 73 Ų | 73 | 58.8 Ų | 58.8 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -75.5 | -34.8 | 179 | -68.2 | -28.2 | 0 | 0 | 0 | 111.5 | C90 N94 A99 N100 Q101 | C90-D97 HydrophobicContact CB-CB 4.08Å; N94-D97 PolarHBondContact ND2-OD2 3.02Å; N94-D97 PolarHBondContact O-N 3.05Å; N94-D97 PolarHBondContact OD1-OD2 3.17Å; D97-A99 PolarHBondContact O-N 2.86Å; D97-N100 WeakPolarHBondContact O-CB 3.47Å; D97-N100 PolarHBondContact O-N 2.91Å; D97-Q101 PolarHBondContact O-N 2.93Å |
| 98 | V | 90.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.3 | -47.9 | 171.6 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | L83 A86 V87 C90 N94 W95 N100 Q101 M102 C110 | L83-V98 HydrophobicContact CD1-CG1 3.79Å; A86-V98 HydrophobicContact CB-CB 4.45Å; A86-V98 HydrophobicContact CB-CG1 3.9Å; V87-V98 HydrophobicContact CG2-CG1 4.02Å; V87-V98 HydrophobicContact CG2-CG2 4.08Å; C90-V98 HydrophobicContact CB-CG2 3.83Å; N94-V98 WeakPolarHBondContact O-CG2 3.36Å; N94-V98 PolarHBondContact O-N 3.42Å; N94-V98 VanDerWaalsContact O-N 3.15Å; W95-V98 HydrophobicContact CE3-CB 4.44Å; W95-V98 HydrophobicContact CE3-CG1 4.33Å; W95-V98 HydrophobicContact CE3-CG2 4.45Å; V98-N100 VanDerWaalsContact C-N 3.33Å; V98-N100 PolarHBondContact O-N 3.04Å; V98-Q101 PolarHBondContact O-N 3.01Å; V98-M102 HydrophobicContact CG1-CG 4.45Å; V98-M102 WeakPolarHBondContact O-CB 3.32Å; V98-M102 VanDerWaalsContact O-CG 3.26Å; V98-M102 WeakPolarHBondContact O-CG 3.26Å; V98-M102 PolarHBondContact O-N 3.15Å; V98-C110 HydrophobicContact CG1-CB 4.39Å |
| 99 | A | 91.8 | Very high | 88.7 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W95 D97 Q101 M102 C103 K107 | W95-A99 VanDerWaalsContact O-CB 3.31Å; W95-A99 WeakPolarHBondContact O-CB 3.39Å; W95-A99 PolarHBondContact O-N 3.27Å; D97-A99 PolarHBondContact O-N 2.86Å; A99-Q101 VanDerWaalsContact C-N 3.29Å; A99-Q101 PolarHBondContact O-N 3.23Å; A99-M102 PolarHBondContact O-N 3.5Å; A99-C103 PolarHBondContact O-N 2.73Å; A99-K107 HydrophobicContact CB-CB 4Å |
| 100 | N | 89.7 | Confident | 89 | Confident | 97 Ų | 97 | 59.2 Ų | 59.2 | 52% | 0.519 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 175.4 | -68.3 | -24 | 0 | 0 | 0 | 111.9 | Q96 D97 V98 C103 | Q96-N100 PolarHBondContact O-N 3.32Å; Q96-N100 VanDerWaalsContact O-N 3.15Å; Q96-N100 PolarHBondContact O-ND2 3.12Å; Q96-N100 VanDerWaalsContact O-ND2 3.17Å; Q96-N100 PolarHBondContact O-OD1 3.36Å; D97-N100 WeakPolarHBondContact O-CB 3.47Å; D97-N100 PolarHBondContact O-N 2.91Å; V98-N100 VanDerWaalsContact C-N 3.33Å; V98-N100 PolarHBondContact O-N 3.04Å; N100-C103 PolarHBondContact O-SG 3.21Å |
| 101 | Q | 86.9 | Confident | 89.1 | Confident | 63 Ų | 63 | 61.5 Ų | 61.5 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -75.1 | -38.4 | 176.4 | -176.3 | 167 | -10.1 | 0 | 0 | 112 | A86 D89 C90 D97 V98 A99 | A86-Q101 HydrophobicContact CB-CB 4.02Å; A86-Q101 HydrophobicContact CB-CG 3.95Å; D89-Q101 PolarHBondContact OD2-NE2 2.95Å; C90-Q101 PolarHBondContact SG-OE1 2.5Å; D97-Q101 PolarHBondContact O-N 2.93Å; V98-Q101 PolarHBondContact O-N 3.01Å; A99-Q101 VanDerWaalsContact C-N 3.29Å; A99-Q101 PolarHBondContact O-N 3.23Å |
| 102 | M | 83.9 | Confident | 89.4 | Confident | 13 Ų | 13 | 67.4 Ų | 67.4 | 6% | 0.064 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 177.7 | -77.5 | -70.2 | -75.7 | 0 | 0 | 113.9 | W75 E79 A82 L83 A86 V98 A99 T104 K105 | W75-M102 HydrophobicContact CH2-CE 4.24Å; W75-M102 HydrophobicContact CZ3-CE 3.67Å; E79-M102 HydrophobicContact CB-CE 4.32Å; E79-M102 VanDerWaalsContact O-CE 3.3Å; E79-M102 WeakPolarHBondContact O-CE 3.39Å; A82-M102 HydrophobicContact CB-CE 4.35Å; A82-M102 HydrophobicContact CB-SD 3.45Å; A82-M102 WeakPolarHBondContact CB-SD 3.05Å; L83-M102 WeakPolarHBondContact CA-SD 3.45Å; L83-M102 HydrophobicContact CB-CE 3.89Å; L83-M102 HydrophobicContact CB-SD 3.99Å; L83-M102 HydrophobicContact CD1-CG 4.48Å; L83-M102 PolarHBondContact N-SD 2.89Å; A86-M102 HydrophobicContact CB-CG 4.27Å; V98-M102 HydrophobicContact CG1-CG 4.45Å; V98-M102 WeakPolarHBondContact O-CB 3.32Å; V98-M102 VanDerWaalsContact O-CG 3.26Å; V98-M102 WeakPolarHBondContact O-CG 3.26Å; V98-M102 PolarHBondContact O-N 3.15Å; A99-M102 PolarHBondContact O-N 3.5Å; M102-T104 PolarHBondContact O-N 2.71Å; M102-K105 HydrophobicContact CE-CG 4.44Å |
| 103 | C | 82.1 | Confident | 89.5 | Confident | 112 Ų | 112 | 62.1 Ų | 62.1 | 76% | 0.757 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 59.1 | -16.1 | -176.8 | -58.7 | 0 | 0 | 0 | 0 | 117 | A99 N100 | A99-C103 PolarHBondContact O-N 2.73Å; N100-C103 PolarHBondContact O-SG 3.21Å |
| 104 | T | 83.3 | Confident | 89.8 | Confident | 85 Ų | 85 | 61.8 Ų | 61.8 | 52% | 0.521 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -103.4 | -24.1 | -174.5 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | E79 M102 | E79-T104 WeakPolarHBondContact OE1-CB 3.48Å; E79-T104 PolarHBondContact OE1-OG1 2.67Å; M102-T104 PolarHBondContact O-N 2.71Å |
| 105 | K | 88.9 | Confident | 89.7 | Confident | 41 Ų | 41 | 61 Ų | 61 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -127.8 | 153.9 | -174.2 | -57.4 | -65 | -174.5 | -167.4 | 0 | 111.7 | N74 W75 E79 M102 E109 | N74-K105 PolarHBondContact O-NZ 3.03Å; W75-K105 HydrophobicContact CH2-CB 4.08Å; W75-K105 HydrophobicContact CH2-CD 4.41Å; W75-K105 HydrophobicContact CH2-CG 3.64Å; W75-K105 HydrophobicContact CZ2-CB 4.3Å; W75-K105 HydrophobicContact CZ2-CD 4.1Å; W75-K105 HydrophobicContact CZ2-CG 3.8Å; W75-K105 HydrophobicContact CZ3-CG 4.06Å; E79-K105 VanDerWaalsContact CD-CE 3.43Å; E79-K105 WeakPolarHBondContact OE1-CE 3.37Å; E79-K105 IonicContact OE1-NZ 2.88Å; E79-K105 PolarHBondContact OE1-NZ 2.96Å; E79-K105 VanDerWaalsContact OE2-CE 3.25Å; E79-K105 WeakPolarHBondContact OE2-CE 3.42Å; E79-K105 IonicContact OE2-NZ 2.81Å; E79-K105 PolarHBondContact OE2-NZ 3.1Å; M102-K105 HydrophobicContact CE-CG 4.44Å; K105-E109 HydrophobicContact CB-CB 4.32Å |
| 106 | S | 92.6 | Very high | 89.4 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | trans | -78.8 | 162.8 | 175.9 | 84.9 | 0 | 0 | 0 | 0 | 112.1 | E108 E109 C110 | S106-E108 VanDerWaalsContact C-N 3.26Å; S106-E108 PolarHBondContact O-N 3.24Å; S106-E108 PolarHBondContact OG-N 3.32Å; S106-E109 PolarHBondContact N-OE2 3.35Å; S106-E109 PolarHBondContact O-N 3.06Å; S106-E109 WeakPolarHBondContact OG-CG 3.37Å; S106-E109 PolarHBondContact OG-N 2.94Å; S106-C110 PolarHBondContact O-N 2.99Å; S106-C110 PolarHBondContact O-SG 3.49Å | ||
| 107 | K | 92.9 | Very high | 88.9 | Confident | 83 Ų | 83 | 61.6 Ų | 61.6 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.9 | -38.5 | 176.5 | 71.8 | -174.9 | -179 | -179 | 0 | 113 | W95 Q96 A99 E109 E111 | W95-K107 HydrophobicContact CB-CB 4.06Å; W95-K107 WeakPolarHBondContact O-CB 3.07Å; Q96-K107 VanDerWaalsContact OE1-CD 3.28Å; A99-K107 HydrophobicContact CB-CB 4Å; K107-E109 VanDerWaalsContact C-N 3.35Å; K107-E111 WeakPolarHBondContact O-CB 3.34Å; K107-E111 PolarHBondContact O-N 2.89Å |
| 108 | E | 93.1 | Very high | 88.5 | Confident | 123 Ų | 123 | 60.2 Ų | 60.2 | 58% | 0.575 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -71.1 | -35.2 | -179.4 | -68.1 | 120.4 | -150.7 | 0 | 0 | 110.9 | S106 K112 | S106-E108 VanDerWaalsContact C-N 3.26Å; S106-E108 PolarHBondContact O-N 3.24Å; S106-E108 PolarHBondContact OG-N 3.32Å; E108-K112 WeakPolarHBondContact O-CB 3.19Å; E108-K112 PolarHBondContact O-N 2.96Å |
| 109 | E | 91.8 | Very high | 88.2 | Confident | 100 Ų | 100 | 64.2 Ų | 64.2 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.7 | -46.6 | 174.9 | -69.7 | 169.6 | 164.5 | 0 | 0 | 111.2 | K105 S106 K107 K112 H113 | K105-E109 HydrophobicContact CB-CB 4.32Å; S106-E109 PolarHBondContact N-OE2 3.35Å; S106-E109 PolarHBondContact O-N 3.06Å; S106-E109 WeakPolarHBondContact OG-CG 3.37Å; S106-E109 PolarHBondContact OG-N 2.94Å; K107-E109 VanDerWaalsContact C-N 3.35Å; E109-K112 PolarHBondContact O-N 3.41Å; E109-H113 WeakPolarHBondContact O-CB 3.31Å; E109-H113 PolarHBondContact O-N 3.05Å |
| 110 | C | 91.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 176.5 | -69 | 0 | 0 | 0 | 0 | 111.9 | L83 W95 V98 S106 H113 Y114 | L83-C110 HydrophobicContact CD1-CB 3.75Å; W95-C110 HydrophobicContact CE3-CB 4.4Å; V98-C110 HydrophobicContact CG1-CB 4.39Å; S106-C110 PolarHBondContact O-N 2.99Å; S106-C110 PolarHBondContact O-SG 3.49Å; C110-H113 PolarHBondContact O-N 2.87Å; C110-Y114 VanDerWaalsContact O-CB 3.25Å; C110-Y114 WeakPolarHBondContact O-CB 3.46Å; C110-Y114 PolarHBondContact O-N 2.91Å |
| 111 | E | 92.5 | Very high | 86.5 | Confident | 83 Ų | 83 | 69.6 Ų | 69.6 | 39% | 0.388 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.2 | -50.7 | 178.7 | 177.4 | 169.6 | -153.8 | 0 | 0 | 111.3 | W95 K107 H113 Y114 M115 | W95-E111 HydrophobicContact CB-CB 4.47Å; W95-E111 HydrophobicContact CD2-CB 3.67Å; W95-E111 HydrophobicContact CD2-CG 4.11Å; W95-E111 HydrophobicContact CE3-CB 4.21Å; W95-E111 HydrophobicContact CG-CB 3.75Å; W95-E111 HydrophobicContact CG-CG 4.22Å; W95-E111 HydrophobicContact CZ2-CB 4.42Å; W95-E111 HydrophobicContact CZ2-CG 4.19Å; W95-E111 PolarHBondContact NE1-OE1 3.47Å; W95-E111 VanDerWaalsContact NE1-OE1 3.16Å; K107-E111 WeakPolarHBondContact O-CB 3.34Å; K107-E111 PolarHBondContact O-N 2.89Å; E111-H113 VanDerWaalsContact C-N 3.32Å; E111-H113 PolarHBondContact O-N 3.37Å; E111-Y114 PolarHBondContact O-N 3.34Å; E111-M115 HydrophobicContact CG-CG 4.33Å; E111-M115 WeakPolarHBondContact O-CB 3.44Å; E111-M115 WeakPolarHBondContact O-CG 3.27Å; E111-M115 PolarHBondContact O-N 3.35Å |
| 112 | K | 91.4 | Very high | 85.4 | Confident | 157 Ų | 157 | 69.1 Ų | 69.1 | 68% | 0.683 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.2 | -41.4 | -177.7 | -175.1 | 179.4 | -180 | -177.4 | 0 | 111.5 | E108 E109 K116 | E108-K112 WeakPolarHBondContact O-CB 3.19Å; E108-K112 PolarHBondContact O-N 2.96Å; E109-K112 PolarHBondContact O-N 3.41Å; K112-K116 WeakPolarHBondContact O-CB 3.41Å; K112-K116 PolarHBondContact O-N 3.34Å |
| 113 | H | 89.5 | Confident | 84 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.037 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.8 | -49.3 | 178.6 | -171.3 | 71.1 | 0 | 0 | 0 | 111.3 | W75 E80 E109 C110 E111 M115 K116 H117 | W75-H113 AromaticContact CD1-CE1 3.59Å; W75-H113 AromaticContact CD1-ND1 3.61Å; W75-H113 AromaticContact CD2-CD2 3.62Å; W75-H113 AromaticContact CD2-CE1 3.8Å; W75-H113 AromaticContact CD2-CG 3.84Å; W75-H113 AromaticContact CD2-ND1 4Å; W75-H113 AromaticContact CD2-NE2 3.59Å; W75-H113 AromaticContact CE2-CD2 3.67Å; W75-H113 AromaticContact CE2-CG 3.43Å; W75-H113 VanDerWaalsContact CE2-CG 3.43Å; W75-H113 AromaticContact CE2-ND1 3.71Å; W75-H113 AromaticContact CE3-CD2 3.75Å; W75-H113 AromaticContact CE3-NE2 3.86Å; W75-H113 AromaticContact CG-CE1 3.55Å; W75-H113 AromaticContact CG-ND1 3.95Å; W75-H113 AromaticContact CG-NE2 3.73Å; W75-H113 HydrophobicContact CH2-CB 4.11Å; W75-H113 AromaticContact CH2-CD2 3.99Å; W75-H113 HydrophobicContact CZ2-CB 3.49Å; W75-H113 VanDerWaalsContact CZ2-CB 3.49Å; W75-H113 AromaticContact CZ2-CD2 3.87Å; W75-H113 AromaticContact CZ2-CG 3.63Å; W75-H113 AromaticContact CZ3-CD2 3.94Å; W75-H113 AromaticContact NE1-CE1 3.85Å; W75-H113 AromaticContact NE1-CG 3.65Å; W75-H113 AromaticContact NE1-ND1 3.44Å; W75-H113 PolarHBondContact NE1-ND1 3.18Å; E80-H113 IonicContact OE1-CE1 3.61Å; E80-H113 PolarHBondContact OE1-CE1 3.4Å; E80-H113 VanDerWaalsContact OE1-CE1 3.31Å; E80-H113 IonicContact OE1-NE2 2.79Å; E80-H113 PolarHBondContact OE1-NE2 3.33Å; E80-H113 IonicContact OE2-CD2 2.58Å; E80-H113 IonicContact OE2-CE1 2.72Å; E80-H113 IonicContact OE2-NE2 3.89Å; E80-H113 PolarHBondContact OE2-NE2 2.96Å; E109-H113 WeakPolarHBondContact O-CB 3.31Å; E109-H113 PolarHBondContact O-N 3.05Å; C110-H113 PolarHBondContact O-N 2.87Å; E111-H113 VanDerWaalsContact C-N 3.32Å; E111-H113 PolarHBondContact O-N 3.37Å; H113-M115 PolarHBondContact O-N 3.35Å; H113-K116 PolarHBondContact O-N 3.24Å; H113-H117 AromaticContact CE1-CD2 3.52Å; H113-H117 AromaticContact ND1-CD2 3.35Å; H113-H117 PolarHBondContact ND1-CD2 2.9Å; H113-H117 AromaticContact ND1-NE2 3.91Å; H113-H117 PolarHBondContact O-N 2.91Å |
| 114 | Y | 88.8 | Confident | 82.6 | Confident | 38 Ų | 38 | 71.8 Ų | 71.8 | 15% | 0.149 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.5 | -49.7 | 178.4 | -169.3 | -87.6 | 0 | 0 | 0 | 111.7 | L83 L84 V87 F92 W95 C110 E111 K116 F118 I119 | L83-Y114 HydrophobicContact CD2-CD2 4.33Å; L83-Y114 HydrophobicContact CG-CD2 4.48Å; L84-Y114 HydrophobicContact CD2-CD2 4.35Å; L84-Y114 HydrophobicContact CD2-CE2 3.78Å; V87-Y114 HydrophobicContact CB-CE2 4.34Å; V87-Y114 HydrophobicContact CG1-CE2 4.06Å; V87-Y114 HydrophobicContact CG2-CD2 4.1Å; V87-Y114 HydrophobicContact CG2-CE2 4.11Å; F92-Y114 HydrophobicContact CD2-CD1 4.24Å; F92-Y114 AromaticContact CD2-CE1 3.68Å; F92-Y114 HydrophobicContact CD2-CE1 3.68Å; F92-Y114 AromaticContact CE2-CD1 3.85Å; F92-Y114 HydrophobicContact CE2-CD1 3.85Å; F92-Y114 AromaticContact CE2-CE1 3.5Å; F92-Y114 HydrophobicContact CE2-CE1 3.5Å; F92-Y114 VanDerWaalsContact CE2-CE1 3.5Å; W95-Y114 AromaticContact CH2-CD1 3.68Å; W95-Y114 HydrophobicContact CH2-CD1 3.68Å; W95-Y114 HydrophobicContact CH2-CD2 4.48Å; W95-Y114 HydrophobicContact CH2-CE1 4.4Å; W95-Y114 AromaticContact CH2-CG 3.72Å; W95-Y114 HydrophobicContact CH2-CG 3.72Å; W95-Y114 HydrophobicContact CZ2-CD1 4.49Å; W95-Y114 HydrophobicContact CZ3-CG 4.16Å; C110-Y114 VanDerWaalsContact O-CB 3.25Å; C110-Y114 WeakPolarHBondContact O-CB 3.46Å; C110-Y114 PolarHBondContact O-N 2.91Å; E111-Y114 PolarHBondContact O-N 3.34Å; Y114-K116 PolarHBondContact O-N 3.04Å; Y114-F118 HydrophobicContact CD2-CB 4.48Å; Y114-F118 HydrophobicContact CD2-CD2 4.18Å; Y114-F118 HydrophobicContact CD2-CG 4.41Å; Y114-F118 HydrophobicContact CE2-CB 4.41Å; Y114-F118 HydrophobicContact CE2-CG 4.48Å; Y114-F118 WeakPolarHBondContact O-CA 3.23Å; Y114-F118 WeakPolarHBondContact O-CB 3.49Å; Y114-F118 PolarHBondContact O-N 3.05Å; Y114-I119 HydrophobicContact CD1-CG1 4.01Å; Y114-I119 HydrophobicContact CE1-CD1 3.87Å; Y114-I119 HydrophobicContact CE1-CG1 3.81Å; Y114-I119 PolarHBondContact O-N 3.06Å |
| 115 | M | 88.8 | Confident | 80.9 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -62.3 | -41.8 | 179.3 | -69.2 | -67.9 | 168.3 | 0 | 0 | 112.2 | F92 W95 E111 H113 I119 N120 | F92-M115 HydrophobicContact CE1-CE 4.21Å; F92-M115 HydrophobicContact CE2-CE 3.48Å; F92-M115 VanDerWaalsContact CE2-CE 3.48Å; F92-M115 HydrophobicContact CE2-SD 4.44Å; F92-M115 HydrophobicContact CZ-CE 3.2Å; F92-M115 HydrophobicContact CZ-SD 4.21Å; W95-M115 HydrophobicContact CZ2-CE 3.69Å; E111-M115 HydrophobicContact CG-CG 4.33Å; E111-M115 WeakPolarHBondContact O-CB 3.44Å; E111-M115 WeakPolarHBondContact O-CG 3.27Å; E111-M115 PolarHBondContact O-N 3.35Å; H113-M115 PolarHBondContact O-N 3.35Å; M115-I119 HydrophobicContact SD-CB 4.37Å; M115-I119 HydrophobicContact SD-CG1 4.11Å; M115-N120 VanDerWaalsContact O-CB 3.23Å; M115-N120 WeakPolarHBondContact O-CB 3.41Å; M115-N120 VanDerWaalsContact O-CG 3.23Å; M115-N120 PolarHBondContact O-N 3.43Å; M115-N120 PolarHBondContact O-ND2 3.45Å; M115-N120 VanDerWaalsContact O-ND2 3.16Å |
| 116 | K | 86.6 | Confident | 79.1 | Confident | 102 Ų | 102 | 71.6 Ų | 71.6 | 44% | 0.443 | 36% | 0.363 | S | S | . | . | I | π-helix | trans | -70.3 | -46.1 | -177.3 | -179.9 | -177 | 166.1 | -138.2 | 0 | 112.3 | D72 K112 H113 Y114 N121 | D72-K116 IonicContact OD2-NZ 2.98Å; K112-K116 WeakPolarHBondContact O-CB 3.41Å; K112-K116 PolarHBondContact O-N 3.34Å; H113-K116 PolarHBondContact O-N 3.24Å; Y114-K116 PolarHBondContact O-N 3.04Å; K116-N121 WeakPolarHBondContact O-CB 3.31Å; K116-N121 PolarHBondContact O-N 3.05Å |
| 117 | H | 81.8 | Confident | 77.1 | Confident | 17 Ų | 17 | 75 Ų | 75 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | I | π-helix | trans | -98.7 | -22.7 | -168.4 | -71.1 | -83.4 | 0 | 0 | 0 | 114.6 | L71 D72 H113 N121 | L71-H117 HydrophobicContact CD1-CB 4.19Å; D72-H117 IonicContact OD2-NE2 3.2Å; H113-H117 AromaticContact CE1-CD2 3.52Å; H113-H117 AromaticContact ND1-CD2 3.35Å; H113-H117 PolarHBondContact ND1-CD2 2.9Å; H113-H117 AromaticContact ND1-NE2 3.91Å; H113-H117 PolarHBondContact O-N 2.91Å; H117-N121 VanDerWaalsContact O-O 3.08Å |
| 118 | F | 80 | Confident | 75 | Confident | 44 Ų | 44 | 78 Ų | 78 | 19% | 0.193 | 40% | 0.401 | C | S | . | . | I | π-helix | trans | -111.3 | -31.4 | -177.5 | -61.9 | -92.6 | 0 | 0 | 0 | 113.6 | L71 L84 Y114 | L71-F118 HydrophobicContact CD1-CE1 4.33Å; L71-F118 HydrophobicContact CD1-CE2 4.04Å; L71-F118 HydrophobicContact CD1-CZ 3.72Å; L84-F118 HydrophobicContact CD1-CE1 3.95Å; L84-F118 HydrophobicContact CD1-CZ 4.36Å; L84-F118 HydrophobicContact CD2-CD1 4.01Å; L84-F118 HydrophobicContact CD2-CE1 3.77Å; L84-F118 HydrophobicContact CD2-CZ 4.07Å; L84-F118 HydrophobicContact CG-CE1 4.23Å; L84-F118 HydrophobicContact CG-CZ 4.35Å; Y114-F118 HydrophobicContact CD2-CB 4.48Å; Y114-F118 HydrophobicContact CD2-CD2 4.18Å; Y114-F118 HydrophobicContact CD2-CG 4.41Å; Y114-F118 HydrophobicContact CE2-CB 4.41Å; Y114-F118 HydrophobicContact CE2-CG 4.48Å; Y114-F118 WeakPolarHBondContact O-CA 3.23Å; Y114-F118 WeakPolarHBondContact O-CB 3.49Å; Y114-F118 PolarHBondContact O-N 3.05Å |
| 119 | I | 83.9 | Confident | 72.7 | Confident | 84 Ų | 84 | 76.7 Ų | 76.7 | 43% | 0.431 | 40% | 0.398 | S | S | . | . | I | π-helix | trans | -99.3 | -58.1 | -179.6 | -56.5 | -59.3 | 0 | 0 | 0 | 112.5 | Y114 M115 | Y114-I119 HydrophobicContact CD1-CG1 4.01Å; Y114-I119 HydrophobicContact CE1-CD1 3.87Å; Y114-I119 HydrophobicContact CE1-CG1 3.81Å; Y114-I119 PolarHBondContact O-N 3.06Å; M115-I119 HydrophobicContact SD-CB 4.37Å; M115-I119 HydrophobicContact SD-CG1 4.11Å |
| 120 | N | 78.4 | Confident | 70.2 | Confident | 124 Ų | 124 | 79.7 Ų | 79.7 | 66% | 0.663 | 42% | 0.417 | S | S | * | . | I | π-helix | trans | -83 | -29.4 | -168.7 | -66.9 | -31 | 0 | 0 | 0 | 113.6 | M115 | M115-N120 VanDerWaalsContact O-CB 3.23Å; M115-N120 WeakPolarHBondContact O-CB 3.41Å; M115-N120 VanDerWaalsContact O-CG 3.23Å; M115-N120 PolarHBondContact O-N 3.43Å; M115-N120 PolarHBondContact O-ND2 3.45Å; M115-N120 VanDerWaalsContact O-ND2 3.16Å |
| 121 | N | 68.1 | Low | 67.9 | Low | 97 Ų | 97 | 85.6 Ų | 85.6 | 52% | 0.519 | 45% | 0.448 | S | S | . | . | trans | -140.7 | 73.6 | 176.7 | -171.4 | 8.2 | 0 | 0 | 0 | 109.5 | K116 H117 L123 | K116-N121 WeakPolarHBondContact O-CB 3.31Å; K116-N121 PolarHBondContact O-N 3.05Å; H117-N121 VanDerWaalsContact O-O 3.08Å; N121-L123 VanDerWaalsContact C-N 3.27Å; N121-L123 PolarHBondContact O-N 3.07Å | ||
| 122 | P | 63.7 | Low | 65.6 | Low | 52 Ų | 52 | 90.7 Ų | 90.7 | 34% | 0.338 | 47% | 0.469 | S | S | . | . | trans | -68.1 | 92.1 | 175.5 | 29 | -32.1 | 0 | 0 | 0 | 107.6 | F124 A125 | P122-F124 PolarHBondContact O-N 3.28Å; P122-A125 HydrophobicContact CB-CB 4.3Å; P122-A125 HydrophobicContact CG-CB 4Å; P122-A125 WeakPolarHBondContact O-CB 3.49Å; P122-A125 PolarHBondContact O-N 3.47Å | ||
| 123 | L | 54.7 | Low | 63.5 | Low | 82 Ų | 82 | 90.8 Ų | 90.8 | 43% | 0.429 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -54.8 | -20.4 | 170.2 | -74.9 | 165.6 | 0 | 0 | 0 | 111.4 | N121 A125 S126 | N121-L123 VanDerWaalsContact C-N 3.27Å; N121-L123 PolarHBondContact O-N 3.07Å; L123-A125 VanDerWaalsContact C-N 3.3Å; L123-A125 PolarHBondContact O-N 3.15Å; L123-S126 PolarHBondContact O-OG 3.41Å |
| 124 | F | 52.4 | Low | 61.4 | Low | 100 Ų | 100 | 94.5 Ų | 94.5 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -66.2 | -20.4 | 171 | -82.2 | -84.9 | 0 | 0 | 0 | 115.4 | P122 S126 L128 | P122-F124 PolarHBondContact O-N 3.28Å; F124-S126 VanDerWaalsContact C-N 3.35Å; F124-L128 HydrophobicContact CE1-CD1 4.38Å |
| 125 | A | 47.5 | Very low | 59.6 | Low | 43 Ų | 43 | 101.2 Ų | 101.2 | 36% | 0.355 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -78 | -16.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P122 L123 | P122-A125 HydrophobicContact CB-CB 4.3Å; P122-A125 HydrophobicContact CG-CB 4Å; P122-A125 WeakPolarHBondContact O-CB 3.49Å; P122-A125 PolarHBondContact O-N 3.47Å; L123-A125 VanDerWaalsContact C-N 3.3Å; L123-A125 PolarHBondContact O-N 3.15Å |
| 126 | S | 50.4 | Low | 57.7 | Low | 79 Ų | 79 | 108.2 Ų | 108.2 | 55% | 0.552 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | -21.6 | -172.5 | 57.9 | 0 | 0 | 0 | 0 | 115.6 | L123 F124 | L123-S126 PolarHBondContact O-OG 3.41Å; F124-S126 VanDerWaalsContact C-N 3.35Å |
| 127 | T | 50.9 | Low | 55.8 | Low | 114 Ų | 114 | 107 Ų | 107 | 70% | 0.699 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129 | -24.4 | -166.3 | -32.4 | 0 | 0 | 0 | 0 | 116.7 | ||
| 128 | L | 48.6 | Very low | 54.3 | Low | 145 Ų | 145 | 114.3 Ų | 114.3 | 76% | 0.759 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | -30.3 | -178.1 | -72.5 | 176.9 | 0 | 0 | 0 | 114.8 | F124 | F124-L128 HydrophobicContact CE1-CD1 4.38Š|
| 129 | L | 44.6 | Very low | 52.8 | Low | 96 Ų | 96 | 120.5 Ų | 120.5 | 50% | 0.503 | 64% | 0.641 | S | S | . | * | trans | -105.2 | 106.2 | 166.2 | -71 | 165.7 | 0 | 0 | 0 | 106.6 | L131 | L129-L131 HydrophobicContact CB-CD1 4.13Å; L129-L131 HydrophobicContact CB-CG 4.15Å; L129-L131 HydrophobicContact CD1-CD1 4.16Å; L129-L131 PolarHBondContact O-N 2.97Å | ||
| 130 | N | 39.8 | Very low | 51.4 | Low | 163 Ų | 163 | 122.2 Ų | 122.2 | 87% | 0.872 | 65% | 0.651 | S | S | * | * | trans | -65.7 | 51.5 | 155.7 | -99.3 | -22.4 | 0 | 0 | 0 | 109.2 | K132 | N130-K132 PolarHBondContact O-N 3.42Š| ||
| 131 | L | 43.9 | Very low | 50.2 | Low | 123 Ų | 123 | 125.5 Ų | 125.5 | 64% | 0.644 | 66% | 0.662 | S | S | * | * | trans | -64.1 | 94.6 | 147.8 | -76 | 164.3 | 0 | 0 | 0 | 102.2 | L129 Q133 | L129-L131 HydrophobicContact CB-CD1 4.13Å; L129-L131 HydrophobicContact CB-CG 4.15Å; L129-L131 HydrophobicContact CD1-CD1 4.16Å; L129-L131 PolarHBondContact O-N 2.97Å; L131-Q133 PolarHBondContact O-N 2.96Å | ||
| 132 | K | 44.6 | Very low | 49.9 | Very low | 190 Ų | 190 | 125.8 Ų | 125.8 | 83% | 0.826 | 67% | 0.668 | S | S | * | * | trans | -37 | 116.2 | 160.4 | -81.5 | -178.9 | 173.1 | -178.8 | 0 | 103.9 | N130 A134 | N130-K132 PolarHBondContact O-N 3.42Å; K132-A134 PolarHBondContact O-N 3.11Å | ||
| 133 | Q | 45.7 | Very low | 49.8 | Very low | 160 Ų | 160 | 127.6 Ų | 127.6 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | trans | -47.2 | 104.3 | 160.2 | -74.2 | 175.8 | -15.1 | 0 | 0 | 102.2 | L131 E135 | L131-Q133 PolarHBondContact O-N 2.96Å; Q133-E135 PolarHBondContact O-N 3.04Å | ||
| 134 | A | 46.7 | Very low | 50.4 | Low | 86 Ų | 86 | 131.3 Ų | 131.3 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | trans | -54.9 | 110.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 99.6 | K132 E136 | K132-A134 PolarHBondContact O-N 3.11Å; A134-E136 PolarHBondContact O-N 3.33Å | ||
| 135 | E | 50.8 | Low | 51.3 | Low | 178 Ų | 178 | 130.8 Ų | 130.8 | 83% | 0.832 | 71% | 0.712 | S | S | * | * | trans | -36.4 | 119.6 | 171.7 | -72 | 173.8 | 152.2 | 0 | 0 | 103.8 | Q133 A137 | Q133-E135 PolarHBondContact O-N 3.04Å; E135-A137 PolarHBondContact O-N 3.01Å | ||
| 136 | E | 49.5 | Very low | 52.6 | Low | 193 Ų | 193 | 133.6 Ų | 133.6 | 90% | 0.902 | 72% | 0.716 | S | S | * | * | trans | -58.3 | 84.5 | 177.2 | -73.1 | 176.1 | 166.4 | 0 | 0 | 104.7 | A134 Q138 | A134-E136 PolarHBondContact O-N 3.33Å; E136-Q138 PolarHBondContact O-N 3.21Å | ||
| 137 | A | 45.4 | Very low | 54 | Low | 76 Ų | 76 | 135.8 Ų | 135.8 | 63% | 0.628 | 72% | 0.718 | S | S | * | * | trans | -72.3 | 89.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 99.9 | E135 H139 | E135-A137 PolarHBondContact O-N 3.01Å; A137-H139 WeakPolarHBondContact O-CA 3.47Å; A137-H139 PolarHBondContact O-N 3.34Å | ||
| 138 | Q | 50.7 | Low | 55.5 | Low | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | -24.6 | 89.6 | 179.2 | -110.7 | 175.5 | -14.7 | 0 | 0 | 107.8 | E136 N140 | E136-Q138 PolarHBondContact O-N 3.21Å; Q138-N140 PolarHBondContact O-N 3.13Å | ||
| 139 | H | 48.9 | Very low | 57 | Low | 173 Ų | 173 | 129.2 Ų | 129.2 | 80% | 0.801 | 69% | 0.689 | S | S | * | * | trans | -83.6 | 91.5 | -177.5 | -141 | 51.8 | 0 | 0 | 0 | 100.2 | A137 E141 | A137-H139 WeakPolarHBondContact O-CA 3.47Å; A137-H139 PolarHBondContact O-N 3.34Å; H139-E141 PolarHBondContact O-N 3.28Å | ||
| 140 | N | 53.5 | Low | 58.4 | Low | 121 Ų | 121 | 131.9 Ų | 131.9 | 65% | 0.647 | 70% | 0.703 | S | S | * | * | trans | -54.9 | 100.6 | 170.2 | -72.7 | -33.5 | 0 | 0 | 0 | 105.1 | Q138 T142 | Q138-N140 PolarHBondContact O-N 3.13Å; N140-T142 PolarHBondContact O-N 3.46Å | ||
| 141 | E | 53.2 | Low | 60.1 | Low | 192 Ų | 192 | 130.4 Ų | 130.4 | 90% | 0.897 | 70% | 0.696 | S | S | * | * | trans | -62.3 | -3.4 | 177 | -69.8 | -168.1 | 150.9 | 0 | 0 | 112 | H139 A143 | H139-E141 PolarHBondContact O-N 3.28Å; E141-A143 PolarHBondContact O-N 3.17Å; E141-A143 VanDerWaalsContact O-N 3.08Å | ||
| 142 | T | 61.7 | Low | 61.5 | Low | 104 Ų | 104 | 127.9 Ų | 127.9 | 64% | 0.638 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -67.5 | 106.9 | 169.1 | 53.7 | 0 | 0 | 0 | 0 | 109.5 | N140 I144 | N140-T142 PolarHBondContact O-N 3.46Å; T142-I144 PolarHBondContact O-N 3.37Å |
| 143 | A | 62.7 | Low | 63 | Low | 90 Ų | 90 | 120 Ų | 120 | 74% | 0.744 | 66% | 0.655 | S | S | * | * | trans | -44.2 | 117.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | E141 P145 | E141-A143 PolarHBondContact O-N 3.17Å; E141-A143 VanDerWaalsContact O-N 3.08Å; A143-P145 WeakPolarHBondContact O-CD 3.43Å; A143-P145 VanDerWaalsContact O-N 3.12Å | ||
| 144 | I | 67.4 | Low | 64.8 | Low | 160 Ų | 160 | 115.9 Ų | 115.9 | 82% | 0.821 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 116.9 | 178.4 | -59.7 | 173.1 | 0 | 0 | 0 | 106.9 | T142 F146 | T142-I144 PolarHBondContact O-N 3.37Å; I144-F146 PolarHBondContact O-N 3.23Å |
| 145 | P | 70.3 | Confident | 66.4 | Low | 88 Ų | 88 | 112.7 Ų | 112.7 | 57% | 0.571 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 130 | -179 | -21.4 | 32.4 | 0 | 0 | 0 | 109.9 | A143 H147 | A143-P145 WeakPolarHBondContact O-CD 3.43Å; A143-P145 VanDerWaalsContact O-N 3.12Å; P145-H147 PolarHBondContact O-CD2 3.12Å; P145-H147 PolarHBondContact O-N 3.31Å |
| 146 | F | 75.9 | Confident | 68 | Low | 102 Ų | 102 | 107.7 Ų | 107.7 | 45% | 0.447 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 119.9 | 176.6 | 177 | -88.2 | 0 | 0 | 0 | 109.6 | I144 P148 R154 P155 | I144-F146 PolarHBondContact O-N 3.23Å; F146-P148 HydrophobicContact CE1-CG 4.26Å; F146-R154 HydrophobicContact CD2-CG 4.32Å; F146-R154 HydrophobicContact CE2-CG 3.54Å; F146-R154 HydrophobicContact CZ-CG 4Å; F146-P155 WeakPolarHBondContact CZ-O 3.37Å |
| 147 | H | 80.2 | Confident | 69.3 | Low | 126 Ų | 126 | 105.6 Ų | 105.6 | 58% | 0.583 | 57% | 0.574 | S | S | * | * | trans | -121.9 | 129.1 | 173.1 | -63.3 | -54.2 | 0 | 0 | 0 | 110.2 | P145 A149 R154 | P145-H147 PolarHBondContact O-CD2 3.12Å; P145-H147 PolarHBondContact O-N 3.31Å; H147-A149 PolarHBondContact O-N 3.3Å; H147-R154 WeakPolarHBondContact O-CD 3.47Å | ||
| 148 | P | 80.9 | Confident | 71 | Confident | 84 Ų | 84 | 109.1 Ų | 109.1 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | trans | -56.8 | 134.1 | 170.6 | -23 | 33.8 | 0 | 0 | 0 | 110.5 | F146 R154 T156 | F146-P148 HydrophobicContact CE1-CG 4.26Å; P148-R154 WeakPolarHBondContact CA-O 3.35Å; P148-T156 HydrophobicContact CB-CG2 4.15Å; P148-T156 HydrophobicContact CG-CG2 3.6Å | ||
| 149 | A | 80.4 | Confident | 72.7 | Confident | 36 Ų | 36 | 102.2 Ų | 102.2 | 30% | 0.298 | 55% | 0.553 | S | S | . | * | B | Isolated β-bridge | trans | -144 | 148.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | H147 P153 R154 | H147-A149 PolarHBondContact O-N 3.3Å; A149-P153 CarbonylContact O-C 3.59Å; A149-R154 HydrophobicContact CB-CB 4.15Å; A149-R154 PolarHBondContact N-O 2.75Å; A149-R154 PolarHBondContact O-N 3.31Å |
| 150 | D | 75.2 | Confident | 74.3 | Confident | 152 Ų | 152 | 99.6 Ų | 99.6 | 81% | 0.813 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -31.5 | 178.1 | -69.1 | -38.7 | 0 | 0 | 0 | 112.6 | P153 | D150-P153 VanDerWaalsContact O-CA 3.27Å; D150-P153 WeakPolarHBondContact O-CA 3.48Å |
| 151 | D | 74.1 | Confident | 75.7 | Confident | 133 Ų | 133 | 96 Ų | 96 | 71% | 0.711 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.5 | 117.5 | 179.5 | -160.4 | 11.5 | 0 | 0 | 0 | 111.8 | ||
| 152 | P | 73.1 | Confident | 77.1 | Confident | 70 Ų | 70 | 88 Ų | 88 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -62.3 | 141.8 | -11.1 | 27.1 | -33.6 | 0 | 0 | 0 | 110.8 | R154 | P152-R154 PolarHBondContact O-N 3.26Š|
| 153 | P | 76.6 | Confident | 78.1 | Confident | 24 Ų | 24 | 92.1 Ų | 92.1 | 16% | 0.156 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 107.5 | -169.2 | 24.5 | -34.4 | 0 | 0 | 0 | 110.6 | A149 D150 P155 M165 P170 | A149-P153 CarbonylContact O-C 3.59Å; D150-P153 VanDerWaalsContact O-CA 3.27Å; D150-P153 WeakPolarHBondContact O-CA 3.48Å; P153-P155 VanDerWaalsContact C-CD 3.4Å; P153-P155 WeakPolarHBondContact O-CD 3.33Å; P153-M165 HydrophobicContact CB-CE 4.29Å; P153-M165 HydrophobicContact CB-SD 4.09Å; P153-M165 HydrophobicContact CG-CE 4.03Å; P153-M165 HydrophobicContact CG-SD 4.32Å; P153-P170 WeakPolarHBondContact O-CG 3.47Å |
| 154 | R | 82.9 | Confident | 79.2 | Confident | 73 Ų | 73 | 90.7 Ų | 90.7 | 28% | 0.275 | 47% | 0.474 | S | S | . | . | B | Isolated β-bridge | trans | -112.5 | 76.5 | -179.9 | -148.3 | -175.7 | -53.6 | -105.3 | -4.4 | 108.5 | F146 H147 P148 A149 P152 | F146-R154 HydrophobicContact CD2-CG 4.32Å; F146-R154 HydrophobicContact CE2-CG 3.54Å; F146-R154 HydrophobicContact CZ-CG 4Å; H147-R154 WeakPolarHBondContact O-CD 3.47Å; P148-R154 WeakPolarHBondContact CA-O 3.35Å; A149-R154 HydrophobicContact CB-CB 4.15Å; A149-R154 PolarHBondContact N-O 2.75Å; A149-R154 PolarHBondContact O-N 3.31Å; P152-R154 PolarHBondContact O-N 3.26Å |
| 155 | P | 81.7 | Confident | 80.1 | Confident | 20 Ų | 20 | 83.2 Ų | 83.2 | 13% | 0.13 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 148.7 | -176.6 | 26.6 | -34.1 | 0 | 0 | 0 | 111.1 | F146 P153 S159 L161 M165 | F146-P155 WeakPolarHBondContact CZ-O 3.37Å; P153-P155 VanDerWaalsContact C-CD 3.4Å; P153-P155 WeakPolarHBondContact O-CD 3.33Å; P155-S159 WeakPolarHBondContact CB-OG 3.33Å; P155-L161 HydrophobicContact CB-CB 4.06Å; P155-L161 HydrophobicContact CB-CD2 4.1Å; P155-L161 HydrophobicContact CB-CG 4.07Å; P155-M165 HydrophobicContact CG-CE 4.5Å; P155-M165 HydrophobicContact CG-SD 3.89Å |
| 156 | T | 82.7 | Confident | 80.8 | Confident | 72 Ų | 72 | 82.4 Ų | 82.4 | 44% | 0.442 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 147.2 | 165.6 | 48 | 0 | 0 | 0 | 0 | 110.1 | P148 S159 | P148-T156 HydrophobicContact CB-CG2 4.15Å; P148-T156 HydrophobicContact CG-CG2 3.6Å; T156-S159 VanDerWaalsContact O-CB 3.31Å; T156-S159 WeakPolarHBondContact O-CB 3.11Å; T156-S159 PolarHBondContact O-N 2.95Å; T156-S159 PolarHBondContact O-OG 2.92Å; T156-S159 WeakPolarHBondContact OG1-CB 3.27Å |
| 157 | F | 77.8 | Confident | 81.3 | Confident | 150 Ų | 150 | 78.4 Ų | 78.4 | 66% | 0.658 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 140.5 | 175.3 | -72.4 | -81.2 | 0 | 0 | 0 | 110.6 | S159 | F157-S159 PolarHBondContact O-N 3.49Š|
| 158 | D | 80.7 | Confident | 81.7 | Confident | 149 Ų | 149 | 74.2 Ų | 74.2 | 80% | 0.797 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 8.7 | -177.9 | -59.1 | -29.2 | 0 | 0 | 0 | 117.6 | ||
| 159 | S | 85.8 | Confident | 81.9 | Confident | 27 Ų | 27 | 73.2 Ų | 73.2 | 19% | 0.189 | 39% | 0.392 | C | S | . | . | trans | -64.8 | 158.6 | 172.2 | 65.9 | 0 | 0 | 0 | 0 | 112.4 | P155 T156 F157 L161 S162 R163 | P155-S159 WeakPolarHBondContact CB-OG 3.33Å; T156-S159 VanDerWaalsContact O-CB 3.31Å; T156-S159 WeakPolarHBondContact O-CB 3.11Å; T156-S159 PolarHBondContact O-N 2.95Å; T156-S159 PolarHBondContact O-OG 2.92Å; T156-S159 WeakPolarHBondContact OG1-CB 3.27Å; F157-S159 PolarHBondContact O-N 3.49Å; S159-L161 PolarHBondContact O-N 3.09Å; S159-S162 WeakPolarHBondContact O-CB 3.31Å; S159-S162 PolarHBondContact O-N 2.99Å; S159-S162 VanDerWaalsContact O-N 3.09Å; S159-S162 WeakPolarHBondContact OG-CB 3.27Å; S159-S162 PolarHBondContact OG-N 3.19Å; S159-S162 VanDerWaalsContact OG-N 3.16Å; S159-R163 PolarHBondContact O-N 2.95Å | ||
| 160 | L | 83.4 | Confident | 82 | Confident | 119 Ų | 119 | 73 Ų | 73 | 62% | 0.623 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -55.5 | -37.3 | 172.8 | -69.1 | 175.4 | 0 | 0 | 0 | 111.9 | R163 D164 | L160-R163 PolarHBondContact O-N 3.12Å; L160-D164 WeakPolarHBondContact O-CB 3.4Å; L160-D164 PolarHBondContact O-N 3.3Å |
| 161 | L | 82.1 | Confident | 82.1 | Confident | 44 Ų | 44 | 70 Ų | 70 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.7 | -39.8 | 177.7 | -175.6 | 62.6 | 0 | 0 | 0 | 111.8 | P155 S159 R163 D164 M165 | P155-L161 HydrophobicContact CB-CB 4.06Å; P155-L161 HydrophobicContact CB-CD2 4.1Å; P155-L161 HydrophobicContact CB-CG 4.07Å; S159-L161 PolarHBondContact O-N 3.09Å; L161-R163 VanDerWaalsContact C-N 3.34Å; L161-R163 PolarHBondContact O-N 3.13Å; L161-D164 PolarHBondContact O-N 3.15Å; L161-M165 HydrophobicContact CD1-SD 4.33Å; L161-M165 HydrophobicContact CG-SD 4.05Å; L161-M165 WeakPolarHBondContact O-CB 3.42Å; L161-M165 VanDerWaalsContact O-CG 3.26Å; L161-M165 WeakPolarHBondContact O-CG 3.37Å; L161-M165 PolarHBondContact O-N 3.16Å |
| 162 | S | 82.7 | Confident | 82.6 | Confident | 24 Ų | 24 | 70.1 Ų | 70.1 | 17% | 0.168 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 174 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | S159 M165 A166 G167 | S159-S162 WeakPolarHBondContact O-CB 3.31Å; S159-S162 PolarHBondContact O-N 2.99Å; S159-S162 VanDerWaalsContact O-N 3.09Å; S159-S162 WeakPolarHBondContact OG-CB 3.27Å; S159-S162 PolarHBondContact OG-N 3.19Å; S159-S162 VanDerWaalsContact OG-N 3.16Å; S162-M165 CarbonylContact O-C 3.57Å; S162-M165 PolarHBondContact O-N 3.39Å; S162-A166 PolarHBondContact O-N 3.46Å; S162-G167 PolarHBondContact O-N 3.28Å |
| 163 | R | 83.6 | Confident | 83.1 | Confident | 191 Ų | 191 | 69.8 Ų | 69.8 | 72% | 0.721 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65 | -43.1 | 174.7 | -73.5 | 172.4 | 55.9 | 147.7 | 0.3 | 112.4 | S159 L160 L161 M165 A166 | S159-R163 PolarHBondContact O-N 2.95Å; L160-R163 PolarHBondContact O-N 3.12Å; L161-R163 VanDerWaalsContact C-N 3.34Å; L161-R163 PolarHBondContact O-N 3.13Å; R163-M165 PolarHBondContact O-N 2.82Å; R163-A166 PolarHBondContact O-N 3.34Å |
| 164 | D | 85 | Confident | 83.6 | Confident | 60 Ų | 60 | 70.2 Ų | 70.2 | 32% | 0.321 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.2 | -28.2 | 176.8 | -72.4 | -9.8 | 0 | 0 | 0 | 111.5 | L160 L161 A166 R234 | L160-D164 WeakPolarHBondContact O-CB 3.4Å; L160-D164 PolarHBondContact O-N 3.3Å; L161-D164 PolarHBondContact O-N 3.15Å; D164-A166 VanDerWaalsContact C-N 3.27Å; D164-A166 PolarHBondContact O-N 2.81Å; D164-R234 IonicContact OD2-CZ 3.91Å; D164-R234 VanDerWaalsContact OD2-CZ 3.23Å; D164-R234 IonicContact OD2-NE 3.79Å; D164-R234 PolarHBondContact OD2-NE 3.43Å; D164-R234 IonicContact OD2-NH2 3.57Å; D164-R234 PolarHBondContact OD2-NH2 2.83Å |
| 165 | M | 86.1 | Confident | 83.9 | Confident | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.02 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 7.1 | 174.5 | -70.4 | 174.4 | 60.5 | 0 | 0 | 113.6 | P153 P155 L161 S162 R163 G167 Y168 P170 I231 | P153-M165 HydrophobicContact CB-CE 4.29Å; P153-M165 HydrophobicContact CB-SD 4.09Å; P153-M165 HydrophobicContact CG-CE 4.03Å; P153-M165 HydrophobicContact CG-SD 4.32Å; P155-M165 HydrophobicContact CG-CE 4.5Å; P155-M165 HydrophobicContact CG-SD 3.89Å; L161-M165 HydrophobicContact CD1-SD 4.33Å; L161-M165 HydrophobicContact CG-SD 4.05Å; L161-M165 WeakPolarHBondContact O-CB 3.42Å; L161-M165 VanDerWaalsContact O-CG 3.26Å; L161-M165 WeakPolarHBondContact O-CG 3.37Å; L161-M165 PolarHBondContact O-N 3.16Å; S162-M165 CarbonylContact O-C 3.57Å; S162-M165 PolarHBondContact O-N 3.39Å; R163-M165 PolarHBondContact O-N 2.82Å; M165-G167 PolarHBondContact O-N 3.09Å; M165-G167 VanDerWaalsContact O-N 3.14Å; M165-Y168 HydrophobicContact CE-CD1 3.73Å; M165-Y168 HydrophobicContact CE-CG 4.43Å; M165-Y168 VanDerWaalsContact O-CB 3.31Å; M165-Y168 WeakPolarHBondContact O-CB 3.17Å; M165-Y168 PolarHBondContact O-N 3.49Å; M165-P170 HydrophobicContact CE-CG 4.42Å; M165-I231 HydrophobicContact CE-CG2 3.95Å |
| 166 | A | 86.7 | Confident | 84.2 | Confident | 71 Ų | 71 | 71.6 Ų | 71.6 | 59% | 0.587 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 35.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S162 R163 D164 Y168 | S162-A166 PolarHBondContact O-N 3.46Å; R163-A166 PolarHBondContact O-N 3.34Å; D164-A166 VanDerWaalsContact C-N 3.27Å; D164-A166 PolarHBondContact O-N 2.81Å; A166-Y168 VanDerWaalsContact C-N 3.35Å; A166-Y168 PolarHBondContact O-N 2.89Å |
| 167 | G | 86.2 | Confident | 84.5 | Confident | 18 Ų | 18 | 74.4 Ų | 74.4 | 19% | 0.186 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 20.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | S162 M165 M169 V176 | S162-G167 PolarHBondContact O-N 3.28Å; M165-G167 PolarHBondContact O-N 3.09Å; M165-G167 VanDerWaalsContact O-N 3.14Å; G167-M169 PolarHBondContact O-N 3.42Å; G167-V176 VanDerWaalsContact O-CG2 3.32Å; G167-V176 WeakPolarHBondContact O-CG2 3.44Å; G167-V176 PolarHBondContact O-N 3.41Å |
| 168 | Y | 87.7 | Confident | 85 | Confident | 38 Ų | 38 | 68.7 Ų | 68.7 | 15% | 0.149 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 128.8 | 170.5 | -175.7 | -101.3 | 0 | 0 | 0 | 111.4 | M165 A166 P170 A173 F175 I231 | M165-Y168 HydrophobicContact CE-CD1 3.73Å; M165-Y168 HydrophobicContact CE-CG 4.43Å; M165-Y168 VanDerWaalsContact O-CB 3.31Å; M165-Y168 WeakPolarHBondContact O-CB 3.17Å; M165-Y168 PolarHBondContact O-N 3.49Å; A166-Y168 VanDerWaalsContact C-N 3.35Å; A166-Y168 PolarHBondContact O-N 2.89Å; Y168-P170 HydrophobicContact CD1-CG 4.3Å; Y168-P170 HydrophobicContact CE1-CB 4.27Å; Y168-P170 HydrophobicContact CE1-CG 4.33Å; Y168-P170 WeakPolarHBondContact O-CD 3.13Å; Y168-A173 WeakPolarHBondContact OH-CA 3.22Å; Y168-F175 HydrophobicContact CD2-CD1 4.18Å; Y168-F175 HydrophobicContact CD2-CD2 4.14Å; Y168-F175 AromaticContact CD2-CE1 3.84Å; Y168-F175 HydrophobicContact CD2-CE1 3.84Å; Y168-F175 AromaticContact CD2-CE2 3.78Å; Y168-F175 HydrophobicContact CD2-CE2 3.78Å; Y168-F175 HydrophobicContact CD2-CG 4.33Å; Y168-F175 AromaticContact CD2-CZ 3.6Å; Y168-F175 HydrophobicContact CD2-CZ 3.6Å; Y168-F175 HydrophobicContact CE2-CE2 4.32Å; Y168-F175 HydrophobicContact CE2-CZ 4.41Å; Y168-F175 HydrophobicContact CG-CE1 4.21Å; Y168-F175 HydrophobicContact CG-CZ 4.34Å; Y168-I231 HydrophobicContact CD1-CG2 3.46Å; Y168-I231 VanDerWaalsContact CD1-CG2 3.46Å; Y168-I231 HydrophobicContact CD2-CD1 4.45Å; Y168-I231 HydrophobicContact CD2-CG2 4.37Å; Y168-I231 HydrophobicContact CE1-CD1 3.96Å; Y168-I231 HydrophobicContact CE1-CG2 3.89Å; Y168-I231 HydrophobicContact CE2-CD1 3.92Å; Y168-I231 HydrophobicContact CE2-CG1 4.48Å; Y168-I231 HydrophobicContact CG-CG2 3.71Å |
| 169 | M | 84.6 | Confident | 85.4 | Confident | 63 Ų | 63 | 65.1 Ų | 65.1 | 31% | 0.31 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 104.2 | 177.7 | -61.5 | -170 | 76.7 | 0 | 0 | 110 | G167 A171 R172 A173 D174 V176 | G167-M169 PolarHBondContact O-N 3.42Å; M169-A171 VanDerWaalsContact C-N 3.31Å; M169-A171 PolarHBondContact O-N 3.39Å; M169-R172 HydrophobicContact CB-CB 4.39Å; M169-R172 PolarHBondContact O-N 3.13Å; M169-A173 PolarHBondContact O-N 3.25Å; M169-D174 WeakPolarHBondContact CB-O 3.46Å; M169-D174 PolarHBondContact N-O 3.31Å; M169-D174 PolarHBondContact O-N 3.26Å; M169-V176 HydrophobicContact CG-CG2 3.84Å; M169-V176 HydrophobicContact SD-CG2 3.75Å |
| 170 | P | 82.5 | Confident | 85.7 | Confident | 32 Ų | 32 | 66 Ų | 66 | 21% | 0.208 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -34.1 | -174.3 | -19.3 | 26.2 | 0 | 0 | 0 | 114.6 | P153 M165 Y168 R172 A173 | P153-P170 WeakPolarHBondContact O-CG 3.47Å; M165-P170 HydrophobicContact CE-CG 4.42Å; Y168-P170 HydrophobicContact CD1-CG 4.3Å; Y168-P170 HydrophobicContact CE1-CB 4.27Å; Y168-P170 HydrophobicContact CE1-CG 4.33Å; Y168-P170 WeakPolarHBondContact O-CD 3.13Å; P170-R172 VanDerWaalsContact C-N 3.3Å; P170-R172 PolarHBondContact O-N 2.87Å; P170-A173 PolarHBondContact O-N 3Å |
| 171 | A | 78.9 | Confident | 86 | Confident | 87 Ų | 87 | 63.1 Ų | 63.1 | 72% | 0.719 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -30.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M169 | M169-A171 VanDerWaalsContact C-N 3.31Å; M169-A171 PolarHBondContact O-N 3.39Å |
| 172 | R | 83.4 | Confident | 86.6 | Confident | 136 Ų | 136 | 67.8 Ų | 67.8 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -13.5 | 175.8 | -165.7 | 170.1 | 70.2 | -152 | -5.6 | 112.4 | M169 P170 D174 F175 | M169-R172 HydrophobicContact CB-CB 4.39Å; M169-R172 PolarHBondContact O-N 3.13Å; P170-R172 VanDerWaalsContact C-N 3.3Å; P170-R172 PolarHBondContact O-N 2.87Å; R172-D174 VanDerWaalsContact C-N 3.29Å; R172-D174 HydrophobicContact CB-CB 3.88Å; R172-D174 HydrophobicContact CG-CB 3.61Å; R172-D174 IonicContact CZ-OD2 3.64Å; R172-D174 IonicContact NE-OD2 2.77Å; R172-D174 PolarHBondContact NE-OD2 2.92Å; R172-D174 IonicContact NH2-OD2 3.94Å; R172-D174 PolarHBondContact NH2-OD2 2.9Å; R172-F175 PolarHBondContact NH2-O 3.12Å |
| 173 | A | 83.4 | Confident | 87 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 53% | 0.529 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 43.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y168 M169 P170 | Y168-A173 WeakPolarHBondContact OH-CA 3.22Å; M169-A173 PolarHBondContact O-N 3.25Å; P170-A173 PolarHBondContact O-N 3Å |
| 174 | D | 88 | Confident | 87.3 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 17% | 0.171 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 161.5 | -162 | -160.4 | 36.1 | 0 | 0 | 0 | 113.1 | M169 R172 K222 | M169-D174 WeakPolarHBondContact CB-O 3.46Å; M169-D174 PolarHBondContact N-O 3.31Å; M169-D174 PolarHBondContact O-N 3.26Å; R172-D174 VanDerWaalsContact C-N 3.29Å; R172-D174 HydrophobicContact CB-CB 3.88Å; R172-D174 HydrophobicContact CG-CB 3.61Å; R172-D174 IonicContact CZ-OD2 3.64Å; R172-D174 IonicContact NE-OD2 2.77Å; R172-D174 PolarHBondContact NE-OD2 2.92Å; R172-D174 IonicContact NH2-OD2 3.94Å; R172-D174 PolarHBondContact NH2-OD2 2.9Å; D174-K222 WeakPolarHBondContact OD1-CE 3.48Å; D174-K222 IonicContact OD1-NZ 3.05Å; D174-K222 PolarHBondContact OD1-NZ 3.49Å |
| 175 | F | 89.1 | Confident | 87.6 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 12% | 0.123 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 151.8 | -179.8 | -65.9 | -92 | 0 | 0 | 0 | 111.4 | Y168 R172 E177 E178 K222 I225 | Y168-F175 HydrophobicContact CD2-CD1 4.18Å; Y168-F175 HydrophobicContact CD2-CD2 4.14Å; Y168-F175 AromaticContact CD2-CE1 3.84Å; Y168-F175 HydrophobicContact CD2-CE1 3.84Å; Y168-F175 AromaticContact CD2-CE2 3.78Å; Y168-F175 HydrophobicContact CD2-CE2 3.78Å; Y168-F175 HydrophobicContact CD2-CG 4.33Å; Y168-F175 AromaticContact CD2-CZ 3.6Å; Y168-F175 HydrophobicContact CD2-CZ 3.6Å; Y168-F175 HydrophobicContact CE2-CE2 4.32Å; Y168-F175 HydrophobicContact CE2-CZ 4.41Å; Y168-F175 HydrophobicContact CG-CE1 4.21Å; Y168-F175 HydrophobicContact CG-CZ 4.34Å; R172-F175 PolarHBondContact NH2-O 3.12Å; F175-E177 WeakPolarHBondContact CB-O 3.25Å; F175-E178 PolarHBondContact N-OE1 3.47Å; F175-K222 HydrophobicContact CE2-CG 4.45Å; F175-I225 HydrophobicContact CE2-CD1 4.48Å; F175-I225 HydrophobicContact CZ-CD1 4.32Å; F175-I225 HydrophobicContact CZ-CG2 4.14Å |
| 176 | V | 87.8 | Confident | 87.7 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -66.3 | -43.8 | 170.4 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | G167 M169 | G167-V176 VanDerWaalsContact O-CG2 3.32Å; G167-V176 WeakPolarHBondContact O-CG2 3.44Å; G167-V176 PolarHBondContact O-N 3.41Å; M169-V176 HydrophobicContact CG-CG2 3.84Å; M169-V176 HydrophobicContact SD-CG2 3.75Å |
| 177 | E | 88.4 | Confident | 87.9 | Confident | 132 Ų | 132 | 68 Ų | 68 | 62% | 0.617 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -114.2 | 120.8 | 175.9 | -168.7 | 176.1 | -175.7 | 0 | 0 | 109.1 | F175 N181 | F175-E177 WeakPolarHBondContact CB-O 3.25Å; E177-N181 HydrophobicContact CG-CB 4.19Å |
| 178 | E | 88.2 | Confident | 88.2 | Confident | 29 Ų | 29 | 75.7 Ų | 75.7 | 14% | 0.136 | 37% | 0.369 | C | S | . | . | trans | -86.2 | 159.2 | -174.4 | -77.6 | -61.7 | 153.1 | 0 | 0 | 113 | F175 D180 N181 R218 K222 | F175-E178 PolarHBondContact N-OE1 3.47Å; E178-D180 PolarHBondContact O-N 3.18Å; E178-D180 VanDerWaalsContact O-N 3.15Å; E178-N181 PolarHBondContact N-OD1 3.35Å; E178-N181 PolarHBondContact O-N 3.12Å; E178-R218 WeakPolarHBondContact OE2-CD 3.42Å; E178-R218 WeakPolarHBondContact OE2-CG 3.41Å; E178-K222 WeakPolarHBondContact OE1-CE 3.5Å; E178-K222 IonicContact OE1-NZ 2.97Å; E178-K222 PolarHBondContact OE1-NZ 3.31Å; E178-K222 WeakPolarHBondContact OE2-CE 3.28Å; E178-K222 IonicContact OE2-NZ 2.63Å; E178-K222 PolarHBondContact OE2-NZ 3.49Å | ||
| 179 | F | 89.9 | Confident | 88.3 | Confident | 75 Ų | 75 | 80.5 Ų | 80.5 | 33% | 0.329 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 124.4 | 163.9 | 172.9 | -112.5 | 0 | 0 | 0 | 108.8 | E217 R218 R221 | F179-E217 HydrophobicContact CD1-CG 4.27Å; F179-E217 HydrophobicContact CE1-CB 4.37Å; F179-E217 HydrophobicContact CE1-CG 3.7Å; F179-R218 HydrophobicContact CB-CG 4.34Å; F179-R218 HydrophobicContact CD1-CB 4.41Å; F179-R218 PolarHBondContact O-NE 3.24Å; F179-R221 VanDerWaalsContact CE2-CZ 3.45Å; F179-R221 VanDerWaalsContact CZ-NH1 3.3Å |
| 180 | D | 91.1 | Very high | 88.6 | Confident | 44 Ų | 44 | 79.8 Ų | 79.8 | 24% | 0.235 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 54.9 | -176.8 | -152 | -6.1 | 0 | 0 | 0 | 111.7 | E178 Y182 A183 R214 R218 | E178-D180 PolarHBondContact O-N 3.18Å; E178-D180 VanDerWaalsContact O-N 3.15Å; D180-Y182 PolarHBondContact O-N 3.27Å; D180-A183 WeakPolarHBondContact O-CB 3.33Å; D180-A183 PolarHBondContact O-N 3.26Å; D180-A183 VanDerWaalsContact O-N 3.08Å; D180-R214 VanDerWaalsContact CG-NH2 3.27Å; D180-R214 IonicContact OD1-CZ 4Å; D180-R214 IonicContact OD1-NE 3.23Å; D180-R214 IonicContact OD1-NH2 3.45Å; D180-R214 PolarHBondContact OD1-NH2 3.21Å; D180-R214 IonicContact OD2-CZ 3.52Å; D180-R214 IonicContact OD2-NE 3.12Å; D180-R214 PolarHBondContact OD2-NE 2.81Å; D180-R214 IonicContact OD2-NH2 2.84Å; D180-R214 PolarHBondContact OD2-NH2 3.47Å; D180-R218 PolarHBondContact O-NH2 2.77Å |
| 181 | N | 91.3 | Very high | 89.2 | Confident | 59 Ų | 59 | 82.9 Ų | 82.9 | 32% | 0.316 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.7 | -172.7 | -167.3 | 74.4 | 0 | 0 | 0 | 114.8 | E177 E178 | E177-N181 HydrophobicContact CG-CB 4.19Å; E178-N181 PolarHBondContact N-OD1 3.35Å; E178-N181 PolarHBondContact O-N 3.12Å |
| 182 | Y | 93.3 | Very high | 89.8 | Confident | 143 Ų | 143 | 83.6 Ų | 83.6 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 9.6 | -178.7 | -55.2 | -70.2 | 0 | 0 | 0 | 113.1 | D180 E184 W185 | D180-Y182 PolarHBondContact O-N 3.27Å; Y182-E184 PolarHBondContact O-N 3.07Å; Y182-E184 VanDerWaalsContact O-N 3.11Å; Y182-W185 AromaticContact CD1-NE1 3.62Å; Y182-W185 VanDerWaalsContact O-CB 3.25Å; Y182-W185 WeakPolarHBondContact O-CB 3.36Å; Y182-W185 PolarHBondContact O-N 3.33Å |
| 183 | A | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -56.1 | -31.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | D180 W185 D186 Y211 R214 | D180-A183 WeakPolarHBondContact O-CB 3.33Å; D180-A183 PolarHBondContact O-N 3.26Å; D180-A183 VanDerWaalsContact O-N 3.08Å; A183-W185 PolarHBondContact O-N 3.24Å; A183-D186 PolarHBondContact O-N 3.41Å; A183-Y211 HydrophobicContact CB-CD2 4.03Å; A183-Y211 HydrophobicContact CB-CE2 4.02Å; A183-Y211 WeakPolarHBondContact O-CD2 3.31Å; A183-R214 HydrophobicContact CB-CB 4.3Å |
| 184 | E | 91 | Very high | 90.5 | Very high | 70 Ų | 70 | 86.9 Ų | 86.9 | 33% | 0.327 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -66.5 | -20.8 | 177.7 | -68.5 | 69.4 | -159.2 | 0 | 0 | 112.9 | Y182 D186 L187 R188 Y211 R218 | Y182-E184 PolarHBondContact O-N 3.07Å; Y182-E184 VanDerWaalsContact O-N 3.11Å; E184-D186 VanDerWaalsContact C-N 3.27Å; E184-D186 PolarHBondContact O-N 3.01Å; E184-L187 PolarHBondContact O-N 3.43Å; E184-R188 PolarHBondContact O-N 2.9Å; E184-Y211 HydrophobicContact CG-CE2 3.92Å; E184-Y211 PolarHBondContact OE1-OH 3.11Å; E184-R218 IonicContact OE1-CZ 2.78Å; E184-R218 IonicContact OE1-NH1 2.9Å; E184-R218 PolarHBondContact OE1-NH1 2.96Å; E184-R218 IonicContact OE1-NH2 3.82Å; E184-R218 PolarHBondContact OE1-NH2 3.19Å; E184-R218 IonicContact OE2-NH2 3.28Å; E184-R218 PolarHBondContact OE2-NH2 3.47Å |
| 185 | W | 91.2 | Very high | 90.7 | Very high | 165 Ų | 165 | 92.8 Ų | 92.8 | 63% | 0.625 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -66.5 | -30.5 | 178.8 | -74.7 | 55.6 | 0 | 0 | 0 | 112.3 | Y182 A183 L187 R188 | Y182-W185 AromaticContact CD1-NE1 3.62Å; Y182-W185 VanDerWaalsContact O-CB 3.25Å; Y182-W185 WeakPolarHBondContact O-CB 3.36Å; Y182-W185 PolarHBondContact O-N 3.33Å; A183-W185 PolarHBondContact O-N 3.24Å; W185-L187 PolarHBondContact O-N 3.49Å; W185-R188 WeakPolarHBondContact O-CB 3.42Å; W185-R188 PolarHBondContact O-N 2.81Å |
| 186 | D | 87.4 | Confident | 90.9 | Very high | 74 Ų | 74 | 92.8 Ų | 92.8 | 40% | 0.396 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -64.8 | -23.7 | 177.4 | -62 | -14.6 | 0 | 0 | 0 | 112.1 | A183 E184 I190 V207 R214 | A183-D186 PolarHBondContact O-N 3.41Å; E184-D186 VanDerWaalsContact C-N 3.27Å; E184-D186 PolarHBondContact O-N 3.01Å; D186-I190 WeakPolarHBondContact O-CD1 3.38Å; D186-V207 HydrophobicContact CB-CG1 4.41Å; D186-R214 IonicContact OD1-NH1 3.04Å; D186-R214 IonicContact OD2-CZ 2.97Å; D186-R214 IonicContact OD2-NH1 3.48Å; D186-R214 PolarHBondContact OD2-NH1 3.26Å |
| 187 | L | 91.4 | Very high | 91.3 | Very high | 46 Ų | 46 | 91.7 Ų | 91.7 | 24% | 0.241 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -95.8 | -10.2 | 179.8 | -62.2 | -174.4 | 0 | 0 | 0 | 113.3 | E184 W185 D189 I190 V207 V208 Y211 | E184-L187 PolarHBondContact O-N 3.43Å; W185-L187 PolarHBondContact O-N 3.49Å; L187-D189 PolarHBondContact O-N 2.54Å; L187-I190 HydrophobicContact CD2-CD1 3.79Å; L187-I190 PolarHBondContact O-N 2.89Å; L187-I190 VanDerWaalsContact O-N 3.15Å; L187-V207 HydrophobicContact CD2-CG1 4.14Å; L187-V208 HydrophobicContact CD2-CG2 4.08Å; L187-Y211 HydrophobicContact CD1-CD1 3.33Å; L187-Y211 HydrophobicContact CD1-CD2 3.9Å; L187-Y211 HydrophobicContact CD1-CE1 3.66Å; L187-Y211 HydrophobicContact CD1-CE2 4.23Å; L187-Y211 HydrophobicContact CD1-CG 3.44Å; L187-Y211 VanDerWaalsContact CD1-CG 3.44Å; L187-Y211 HydrophobicContact CD2-CG 4.47Å; L187-Y211 HydrophobicContact CG-CD1 4.36Å; L187-Y211 HydrophobicContact CG-CD2 4.27Å; L187-Y211 HydrophobicContact CG-CG 3.99Å |
| 188 | R | 91.4 | Very high | 91.6 | Very high | 179 Ų | 179 | 92.4 Ų | 92.4 | 68% | 0.675 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -42.6 | -169.7 | -178.8 | -171.8 | 172.9 | 178.9 | -2.4 | 112.6 | E184 W185 | E184-R188 PolarHBondContact O-N 2.9Å; W185-R188 WeakPolarHBondContact O-CB 3.42Å; W185-R188 PolarHBondContact O-N 2.81Å |
| 189 | D | 90.1 | Very high | 92 | Very high | 139 Ų | 139 | 97.8 Ų | 97.8 | 74% | 0.743 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 18.7 | -172.9 | -54.2 | -40.6 | 0 | 0 | 0 | 111.7 | L187 | L187-D189 PolarHBondContact O-N 2.54Š|
| 190 | I | 92.1 | Very high | 92.2 | Very high | 47 Ų | 47 | 97.5 Ų | 97.5 | 24% | 0.241 | 48% | 0.478 | C | S | . | . | trans | -96.4 | 116.6 | 175.7 | -57.2 | -175.5 | 0 | 0 | 0 | 109.5 | D186 L187 F192 K204 V207 | D186-I190 WeakPolarHBondContact O-CD1 3.38Å; L187-I190 HydrophobicContact CD2-CD1 3.79Å; L187-I190 PolarHBondContact O-N 2.89Å; L187-I190 VanDerWaalsContact O-N 3.15Å; I190-F192 HydrophobicContact CG2-CE2 4.28Å; I190-K204 HydrophobicContact CG2-CB 4.13Å; I190-K204 HydrophobicContact CG2-CD 4.39Å; I190-K204 HydrophobicContact CG2-CG 4.08Å; I190-V207 HydrophobicContact CD1-CB 3.68Å; I190-V207 HydrophobicContact CD1-CG1 3.43Å; I190-V207 VanDerWaalsContact CD1-CG1 3.43Å; I190-V207 HydrophobicContact CD1-CG2 4.33Å | ||
| 191 | D | 93.3 | Very high | 92.4 | Very high | 98 Ų | 98 | 99.5 Ų | 99.5 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | trans | -116.8 | 156.1 | 169.6 | 58.7 | -10.2 | 0 | 0 | 0 | 110 | K204 | D191-K204 WeakPolarHBondContact O-CD 3.11Å; D191-K204 WeakPolarHBondContact O-CE 2.88Å; D191-K204 PolarHBondContact O-NZ 3.44Å; D191-K204 IonicContact OD1-NZ 3.41Å; D191-K204 PolarHBondContact OD1-NZ 3.14Å | ||
| 192 | F | 92.5 | Very high | 92.7 | Very high | 102 Ų | 102 | 99.5 Ų | 99.5 | 45% | 0.447 | 49% | 0.494 | S | S | . | . | trans | -111.1 | 122.4 | 172.3 | -71.3 | -89 | 0 | 0 | 0 | 108.2 | I190 H201 K204 I205 V208 | I190-F192 HydrophobicContact CG2-CE2 4.28Å; F192-H201 AromaticContact CD1-CE1 3.82Å; F192-H201 AromaticContact CD1-ND1 3.84Å; F192-K204 HydrophobicContact CD1-CB 4.4Å; F192-K204 HydrophobicContact CD1-CD 4.3Å; F192-K204 HydrophobicContact CE1-CB 3.67Å; F192-K204 HydrophobicContact CE1-CD 4.39Å; F192-K204 HydrophobicContact CZ-CB 3.95Å; F192-I205 HydrophobicContact CE1-CD1 3.78Å; F192-I205 HydrophobicContact CE1-CG1 4.2Å; F192-I205 HydrophobicContact CZ-CD1 3.9Å; F192-V208 HydrophobicContact CZ-CG2 4.3Å | ||
| 193 | V | 94 | Very high | 92.8 | Very high | 68 Ų | 68 | 97.9 Ų | 97.9 | 41% | 0.412 | 49% | 0.494 | S | S | . | . | trans | -119.2 | 142.6 | -178.2 | -174 | 0 | 0 | 0 | 0 | 108.6 | D195 D196 | V193-D195 PolarHBondContact O-N 3.42Å; V193-D196 PolarHBondContact N-OD2 3.02Å; V193-D196 VanDerWaalsContact O-CB 3.27Å; V193-D196 WeakPolarHBondContact O-CB 3.23Å; V193-D196 PolarHBondContact O-N 3.39Å | ||
| 194 | E | 87.6 | Confident | 93 | Very high | 200 Ų | 200 | 98.9 Ų | 98.9 | 94% | 0.935 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.6 | -176.8 | -63.4 | -172.6 | 168.2 | 0 | 0 | 113.2 | D196 | E194-D196 VanDerWaalsContact C-N 3.29Å; E194-D196 PolarHBondContact O-N 3.29Å |
| 195 | D | 92.4 | Very high | 93.2 | Very high | 156 Ų | 156 | 98.8 Ų | 98.8 | 83% | 0.834 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 4.9 | 177.5 | -64 | -30.8 | 0 | 0 | 0 | 113.7 | V193 S197 | V193-D195 PolarHBondContact O-N 3.42Å; D195-S197 PolarHBondContact O-N 2.99Å |
| 196 | D | 93.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 92.9 Ų | 92.9 | 16% | 0.155 | 49% | 0.486 | C | S | . | . | trans | -61 | 128.4 | 177.4 | -78.5 | -29.2 | 0 | 0 | 0 | 110.7 | V193 E194 L200 H201 K204 | V193-D196 PolarHBondContact N-OD2 3.02Å; V193-D196 VanDerWaalsContact O-CB 3.27Å; V193-D196 WeakPolarHBondContact O-CB 3.23Å; V193-D196 PolarHBondContact O-N 3.39Å; E194-D196 VanDerWaalsContact C-N 3.29Å; E194-D196 PolarHBondContact O-N 3.29Å; D196-L200 HydrophobicContact CB-CD2 4.46Å; D196-L200 WeakPolarHBondContact OD1-CD2 3.47Å; D196-H201 HydrophobicContact CB-CB 4.48Å; D196-K204 IonicContact OD1-NZ 2.95Å; D196-K204 PolarHBondContact OD1-NZ 2.94Å; D196-K204 IonicContact OD2-NZ 2.64Å; D196-K204 PolarHBondContact OD2-NZ 3.26Å | ||
| 197 | S | 95.6 | Very high | 93.8 | Very high | 70 Ų | 70 | 91.2 Ų | 91.2 | 49% | 0.49 | 48% | 0.479 | S | S | . | . | trans | -58.8 | 146.4 | 169.6 | 68.3 | 0 | 0 | 0 | 0 | 110.8 | D195 I199 L200 H201 | D195-S197 PolarHBondContact O-N 2.99Å; S197-I199 PolarHBondContact O-N 3.46Å; S197-L200 WeakPolarHBondContact O-CA 3.43Å; S197-L200 WeakPolarHBondContact O-CB 3.49Å; S197-L200 PolarHBondContact O-N 2.74Å; S197-L200 WeakPolarHBondContact OG-CB 3.24Å; S197-L200 PolarHBondContact OG-N 2.61Å; S197-H201 PolarHBondContact O-N 3.06Å | ||
| 198 | D | 95.7 | Very high | 94 | Very high | 147 Ų | 147 | 91.6 Ų | 91.6 | 79% | 0.786 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -50.1 | -37.1 | 179.6 | -64.7 | -27.2 | 0 | 0 | 0 | 113.2 | A202 | D198-A202 VanDerWaalsContact O-CB 3.32Å; D198-A202 WeakPolarHBondContact O-CB 3.35Å; D198-A202 PolarHBondContact O-N 3.45Å |
| 199 | I | 96.3 | Very high | 94.2 | Very high | 143 Ų | 143 | 87.9 Ų | 87.9 | 73% | 0.733 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.7 | -43.9 | 178.4 | -61.1 | 172.6 | 0 | 0 | 0 | 111 | S197 A202 L203 | S197-I199 PolarHBondContact O-N 3.46Å; I199-A202 PolarHBondContact O-N 2.89Å; I199-L203 WeakPolarHBondContact O-CB 3.1Å; I199-L203 PolarHBondContact O-N 3.24Å |
| 200 | L | 94.7 | Very high | 94.4 | Very high | 68 Ų | 68 | 85.9 Ų | 85.9 | 36% | 0.356 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 177.3 | -179.8 | 60 | 0 | 0 | 0 | 110.7 | D196 S197 A202 L203 K204 | D196-L200 HydrophobicContact CB-CD2 4.46Å; D196-L200 WeakPolarHBondContact OD1-CD2 3.47Å; S197-L200 WeakPolarHBondContact O-CA 3.43Å; S197-L200 WeakPolarHBondContact O-CB 3.49Å; S197-L200 PolarHBondContact O-N 2.74Å; S197-L200 WeakPolarHBondContact OG-CB 3.24Å; S197-L200 PolarHBondContact OG-N 2.61Å; L200-A202 PolarHBondContact O-N 3.41Å; L200-L203 WeakPolarHBondContact O-CB 3.48Å; L200-L203 PolarHBondContact O-N 2.97Å; L200-K204 HydrophobicContact CD1-CG 4.5Å; L200-K204 HydrophobicContact CG-CD 4.37Å; L200-K204 WeakPolarHBondContact O-CG 3.3Å; L200-K204 PolarHBondContact O-N 2.77Å |
| 201 | H | 95.1 | Very high | 94.6 | Very high | 86 Ų | 86 | 85.6 Ų | 85.6 | 40% | 0.398 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.3 | -48.5 | 174.4 | -171.9 | 88.5 | 0 | 0 | 0 | 111.2 | F192 D196 S197 L203 K204 I205 | F192-H201 AromaticContact CD1-CE1 3.82Å; F192-H201 AromaticContact CD1-ND1 3.84Å; D196-H201 HydrophobicContact CB-CB 4.48Å; S197-H201 PolarHBondContact O-N 3.06Å; H201-L203 VanDerWaalsContact C-N 3.31Å; H201-L203 PolarHBondContact O-N 3.31Å; H201-K204 PolarHBondContact O-N 2.97Å; H201-I205 WeakPolarHBondContact O-CG1 3.41Å; H201-I205 PolarHBondContact O-N 3.4Å |
| 202 | A | 96.3 | Very high | 94.7 | Very high | 59 Ų | 59 | 85.2 Ų | 85.2 | 49% | 0.488 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D198 I199 L200 A206 | D198-A202 VanDerWaalsContact O-CB 3.32Å; D198-A202 WeakPolarHBondContact O-CB 3.35Å; D198-A202 PolarHBondContact O-N 3.45Å; I199-A202 PolarHBondContact O-N 2.89Å; L200-A202 PolarHBondContact O-N 3.41Å; A202-A206 WeakPolarHBondContact O-CB 3.34Å; A202-A206 PolarHBondContact O-N 3.43Å |
| 203 | L | 95.8 | Very high | 94.8 | Very high | 109 Ų | 109 | 84 Ų | 84 | 57% | 0.571 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.9 | -45.5 | 175.1 | -172.8 | 74.7 | 0 | 0 | 0 | 111.3 | I199 L200 H201 I205 A206 V207 | I199-L203 WeakPolarHBondContact O-CB 3.1Å; I199-L203 PolarHBondContact O-N 3.24Å; L200-L203 WeakPolarHBondContact O-CB 3.48Å; L200-L203 PolarHBondContact O-N 2.97Å; H201-L203 VanDerWaalsContact C-N 3.31Å; H201-L203 PolarHBondContact O-N 3.31Å; L203-I205 VanDerWaalsContact C-N 3.34Å; L203-I205 PolarHBondContact O-N 3.04Å; L203-A206 WeakPolarHBondContact O-CB 3.44Å; L203-A206 PolarHBondContact O-N 3.37Å; L203-A206 VanDerWaalsContact O-N 3.17Å; L203-V207 WeakPolarHBondContact O-CG2 3.32Å; L203-V207 PolarHBondContact O-N 3.33Å |
| 204 | K | 95.8 | Very high | 94.9 | Very high | 22 Ų | 22 | 84.3 Ų | 84.3 | 10% | 0.096 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 176.8 | -70.3 | 175.4 | 176.1 | -175.4 | 0 | 111.1 | I190 D191 F192 D196 L200 H201 A206 V207 V208 | I190-K204 HydrophobicContact CG2-CB 4.13Å; I190-K204 HydrophobicContact CG2-CD 4.39Å; I190-K204 HydrophobicContact CG2-CG 4.08Å; D191-K204 WeakPolarHBondContact O-CD 3.11Å; D191-K204 WeakPolarHBondContact O-CE 2.88Å; D191-K204 PolarHBondContact O-NZ 3.44Å; D191-K204 IonicContact OD1-NZ 3.41Å; D191-K204 PolarHBondContact OD1-NZ 3.14Å; F192-K204 HydrophobicContact CD1-CB 4.4Å; F192-K204 HydrophobicContact CD1-CD 4.3Å; F192-K204 HydrophobicContact CE1-CB 3.67Å; F192-K204 HydrophobicContact CE1-CD 4.39Å; F192-K204 HydrophobicContact CZ-CB 3.95Å; D196-K204 IonicContact OD1-NZ 2.95Å; D196-K204 PolarHBondContact OD1-NZ 2.94Å; D196-K204 IonicContact OD2-NZ 2.64Å; D196-K204 PolarHBondContact OD2-NZ 3.26Å; L200-K204 HydrophobicContact CD1-CG 4.5Å; L200-K204 HydrophobicContact CG-CD 4.37Å; L200-K204 WeakPolarHBondContact O-CG 3.3Å; L200-K204 PolarHBondContact O-N 2.77Å; H201-K204 PolarHBondContact O-N 2.97Å; K204-A206 PolarHBondContact O-N 2.96Å; K204-V207 PolarHBondContact O-N 2.91Å; K204-V208 WeakPolarHBondContact O-CG2 3.29Å; K204-V208 PolarHBondContact O-N 3.32Å; K204-V208 VanDerWaalsContact O-N 3.12Å |
| 205 | I | 95.5 | Very high | 95.2 | Very high | 67 Ų | 67 | 77.2 Ų | 77.2 | 34% | 0.344 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 174.2 | -64.6 | -64.8 | 0 | 0 | 0 | 111.5 | F192 H201 L203 V207 V208 D209 | F192-I205 HydrophobicContact CE1-CD1 3.78Å; F192-I205 HydrophobicContact CE1-CG1 4.2Å; F192-I205 HydrophobicContact CZ-CD1 3.9Å; H201-I205 WeakPolarHBondContact O-CG1 3.41Å; H201-I205 PolarHBondContact O-N 3.4Å; L203-I205 VanDerWaalsContact C-N 3.34Å; L203-I205 PolarHBondContact O-N 3.04Å; I205-V207 VanDerWaalsContact C-N 3.28Å; I205-V207 PolarHBondContact O-N 3.49Å; I205-V208 WeakPolarHBondContact O-CB 3.43Å; I205-V208 PolarHBondContact O-N 3.21Å; I205-V208 VanDerWaalsContact O-N 3.1Å; I205-D209 PolarHBondContact O-N 3.39Å |
| 206 | A | 96.3 | Very high | 95.3 | Very high | 42 Ų | 42 | 76 Ų | 76 | 35% | 0.347 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.9 | -36 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A202 L203 K204 D209 I210 | A202-A206 WeakPolarHBondContact O-CB 3.34Å; A202-A206 PolarHBondContact O-N 3.43Å; L203-A206 WeakPolarHBondContact O-CB 3.44Å; L203-A206 PolarHBondContact O-N 3.37Å; L203-A206 VanDerWaalsContact O-N 3.17Å; K204-A206 PolarHBondContact O-N 2.96Å; A206-D209 PolarHBondContact O-N 2.93Å; A206-I210 VanDerWaalsContact O-CG1 3.27Å; A206-I210 WeakPolarHBondContact O-CG1 3.35Å; A206-I210 PolarHBondContact O-N 3.38Å |
| 207 | V | 95.7 | Very high | 95.4 | Very high | 39 Ų | 39 | 77.2 Ų | 77.2 | 24% | 0.236 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 174.2 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | D186 L187 I190 L203 K204 I205 D209 I210 Y211 | D186-V207 HydrophobicContact CB-CG1 4.41Å; L187-V207 HydrophobicContact CD2-CG1 4.14Å; I190-V207 HydrophobicContact CD1-CB 3.68Å; I190-V207 HydrophobicContact CD1-CG1 3.43Å; I190-V207 VanDerWaalsContact CD1-CG1 3.43Å; I190-V207 HydrophobicContact CD1-CG2 4.33Å; L203-V207 WeakPolarHBondContact O-CG2 3.32Å; L203-V207 PolarHBondContact O-N 3.33Å; K204-V207 PolarHBondContact O-N 2.91Å; I205-V207 VanDerWaalsContact C-N 3.28Å; I205-V207 PolarHBondContact O-N 3.49Å; V207-D209 VanDerWaalsContact C-N 3.31Å; V207-D209 PolarHBondContact O-N 2.67Å; V207-I210 WeakPolarHBondContact O-CB 3.41Å; V207-I210 PolarHBondContact O-N 3.28Å; V207-Y211 PolarHBondContact O-N 3.04Å |
| 208 | V | 95.4 | Very high | 95.3 | Very high | 54 Ų | 54 | 75.1 Ų | 75.1 | 33% | 0.327 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 173.9 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | L187 F192 K204 I205 Y211 H212 | L187-V208 HydrophobicContact CD2-CG2 4.08Å; F192-V208 HydrophobicContact CZ-CG2 4.3Å; K204-V208 WeakPolarHBondContact O-CG2 3.29Å; K204-V208 PolarHBondContact O-N 3.32Å; K204-V208 VanDerWaalsContact O-N 3.12Å; I205-V208 WeakPolarHBondContact O-CB 3.43Å; I205-V208 PolarHBondContact O-N 3.21Å; I205-V208 VanDerWaalsContact O-N 3.1Å; V208-Y211 WeakPolarHBondContact O-CB 3.32Å; V208-Y211 PolarHBondContact O-N 2.74Å; V208-H212 WeakPolarHBondContact O-CB 3.42Å; V208-H212 PolarHBondContact O-N 2.85Å |
| 209 | D | 95.7 | Very high | 95.1 | Very high | 101 Ų | 101 | 73.6 Ų | 73.6 | 54% | 0.54 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 175.8 | -78.1 | -25.4 | 0 | 0 | 0 | 112.3 | I205 A206 V207 H212 S213 | I205-D209 PolarHBondContact O-N 3.39Å; A206-D209 PolarHBondContact O-N 2.93Å; V207-D209 VanDerWaalsContact C-N 3.31Å; V207-D209 PolarHBondContact O-N 2.67Å; D209-H212 PolarHBondContact O-N 3.4Å; D209-S213 PolarHBondContact O-N 3.45Å |
| 210 | I | 94.3 | Very high | 95 | Very high | 96 Ų | 96 | 71.9 Ų | 71.9 | 49% | 0.492 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 173.5 | -69.5 | 163.8 | 0 | 0 | 0 | 110 | A206 V207 H212 S213 R214 | A206-I210 VanDerWaalsContact O-CG1 3.27Å; A206-I210 WeakPolarHBondContact O-CG1 3.35Å; A206-I210 PolarHBondContact O-N 3.38Å; V207-I210 WeakPolarHBondContact O-CB 3.41Å; V207-I210 PolarHBondContact O-N 3.28Å; I210-H212 VanDerWaalsContact C-N 3.32Å; I210-H212 PolarHBondContact O-N 3.43Å; I210-S213 WeakPolarHBondContact O-CB 3.26Å; I210-S213 PolarHBondContact O-N 3.2Å; I210-R214 WeakPolarHBondContact O-CG 3.35Å; I210-R214 PolarHBondContact O-N 3.49Å |
| 211 | Y | 95.3 | Very high | 94.8 | Very high | 42 Ų | 42 | 73.1 Ų | 73.1 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58 | -44.9 | 175.7 | 172.6 | -105.9 | 0 | 0 | 0 | 111.8 | A183 E184 L187 V207 V208 S213 R214 L215 | A183-Y211 HydrophobicContact CB-CD2 4.03Å; A183-Y211 HydrophobicContact CB-CE2 4.02Å; A183-Y211 WeakPolarHBondContact O-CD2 3.31Å; E184-Y211 HydrophobicContact CG-CE2 3.92Å; E184-Y211 PolarHBondContact OE1-OH 3.11Å; L187-Y211 HydrophobicContact CD1-CD1 3.33Å; L187-Y211 HydrophobicContact CD1-CD2 3.9Å; L187-Y211 HydrophobicContact CD1-CE1 3.66Å; L187-Y211 HydrophobicContact CD1-CE2 4.23Å; L187-Y211 HydrophobicContact CD1-CG 3.44Å; L187-Y211 VanDerWaalsContact CD1-CG 3.44Å; L187-Y211 HydrophobicContact CD2-CG 4.47Å; L187-Y211 HydrophobicContact CG-CD1 4.36Å; L187-Y211 HydrophobicContact CG-CD2 4.27Å; L187-Y211 HydrophobicContact CG-CG 3.99Å; V207-Y211 PolarHBondContact O-N 3.04Å; V208-Y211 WeakPolarHBondContact O-CB 3.32Å; V208-Y211 PolarHBondContact O-N 2.74Å; Y211-S213 VanDerWaalsContact C-N 3.29Å; Y211-S213 PolarHBondContact O-N 3.25Å; Y211-R214 WeakPolarHBondContact O-CB 3.46Å; Y211-R214 PolarHBondContact O-N 2.88Å; Y211-L215 HydrophobicContact CD1-CD1 4.09Å; Y211-L215 HydrophobicContact CD1-CG 4.33Å; Y211-L215 HydrophobicContact CE1-CD1 3.37Å; Y211-L215 HydrophobicContact CE1-CD2 4.45Å; Y211-L215 HydrophobicContact CE1-CG 3.84Å; Y211-L215 HydrophobicContact CE2-CD1 4.48Å; Y211-L215 HydrophobicContact CE2-CD2 4.14Å; Y211-L215 HydrophobicContact CE2-CG 4.13Å; Y211-L215 PolarHBondContact O-N 2.7Å |
| 212 | H | 94.8 | Very high | 94.6 | Very high | 90 Ų | 90 | 71 Ų | 71 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 178.2 | -172.3 | 70.7 | 0 | 0 | 0 | 112.4 | V208 D209 I210 L215 K216 | V208-H212 WeakPolarHBondContact O-CB 3.42Å; V208-H212 PolarHBondContact O-N 2.85Å; D209-H212 PolarHBondContact O-N 3.4Å; I210-H212 VanDerWaalsContact C-N 3.32Å; I210-H212 PolarHBondContact O-N 3.43Å; H212-L215 PolarHBondContact O-N 3.3Å; H212-K216 PolarHBondContact CD2-NZ 3.49Å; H212-K216 VanDerWaalsContact CD2-NZ 3.33Å; H212-K216 WeakPolarHBondContact NE2-CE 3.45Å; H212-K216 PolarHBondContact NE2-NZ 3.43Å; H212-K216 WeakPolarHBondContact O-CG 3.37Å; H212-K216 PolarHBondContact O-N 2.95Å |
| 213 | S | 95.7 | Very high | 94.4 | Very high | 76 Ų | 76 | 73.6 Ų | 73.6 | 53% | 0.531 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 171.9 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | D209 I210 Y211 L215 K216 E217 | D209-S213 PolarHBondContact O-N 3.45Å; I210-S213 WeakPolarHBondContact O-CB 3.26Å; I210-S213 PolarHBondContact O-N 3.2Å; Y211-S213 VanDerWaalsContact C-N 3.29Å; Y211-S213 PolarHBondContact O-N 3.25Å; S213-L215 PolarHBondContact O-N 3.35Å; S213-K216 WeakPolarHBondContact O-CB 2.89Å; S213-K216 PolarHBondContact O-N 3.28Å; S213-E217 PolarHBondContact O-N 2.94Å |
| 214 | R | 95.2 | Very high | 94.2 | Very high | 74 Ų | 74 | 69.8 Ų | 69.8 | 28% | 0.279 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 175.5 | -64 | 174.8 | 111.5 | 176.6 | -5 | 111.4 | D180 A183 D186 I210 Y211 K216 E217 R218 | D180-R214 VanDerWaalsContact CG-NH2 3.27Å; D180-R214 IonicContact OD1-CZ 4Å; D180-R214 IonicContact OD1-NE 3.23Å; D180-R214 IonicContact OD1-NH2 3.45Å; D180-R214 PolarHBondContact OD1-NH2 3.21Å; D180-R214 IonicContact OD2-CZ 3.52Å; D180-R214 IonicContact OD2-NE 3.12Å; D180-R214 PolarHBondContact OD2-NE 2.81Å; D180-R214 IonicContact OD2-NH2 2.84Å; D180-R214 PolarHBondContact OD2-NH2 3.47Å; A183-R214 HydrophobicContact CB-CB 4.3Å; D186-R214 IonicContact OD1-NH1 3.04Å; D186-R214 IonicContact OD2-CZ 2.97Å; D186-R214 IonicContact OD2-NH1 3.48Å; D186-R214 PolarHBondContact OD2-NH1 3.26Å; I210-R214 WeakPolarHBondContact O-CG 3.35Å; I210-R214 PolarHBondContact O-N 3.49Å; Y211-R214 WeakPolarHBondContact O-CB 3.46Å; Y211-R214 PolarHBondContact O-N 2.88Å; R214-K216 PolarHBondContact O-N 3.04Å; R214-E217 PolarHBondContact O-N 3.09Å; R214-R218 WeakPolarHBondContact O-CB 3.43Å; R214-R218 PolarHBondContact O-N 3.16Å |
| 215 | L | 93.8 | Very high | 93.9 | Very high | 52 Ų | 52 | 71.3 Ų | 71.3 | 27% | 0.272 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 174.5 | -71.5 | -171.4 | 0 | 0 | 0 | 113 | Y211 H212 S213 E217 R218 Q219 | Y211-L215 HydrophobicContact CD1-CD1 4.09Å; Y211-L215 HydrophobicContact CD1-CG 4.33Å; Y211-L215 HydrophobicContact CE1-CD1 3.37Å; Y211-L215 HydrophobicContact CE1-CD2 4.45Å; Y211-L215 HydrophobicContact CE1-CG 3.84Å; Y211-L215 HydrophobicContact CE2-CD1 4.48Å; Y211-L215 HydrophobicContact CE2-CD2 4.14Å; Y211-L215 HydrophobicContact CE2-CG 4.13Å; Y211-L215 PolarHBondContact O-N 2.7Å; H212-L215 PolarHBondContact O-N 3.3Å; S213-L215 PolarHBondContact O-N 3.35Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-E217 PolarHBondContact O-N 3.15Å; L215-R218 WeakPolarHBondContact O-CB 3.4Å; L215-R218 PolarHBondContact O-N 2.97Å; L215-Q219 WeakPolarHBondContact O-CB 3.49Å; L215-Q219 PolarHBondContact O-N 3.06Å |
| 216 | K | 95.4 | Very high | 93.5 | Very high | 130 Ų | 130 | 74.9 Ų | 74.9 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.3 | -43.4 | 175.2 | -79.4 | 177.3 | 173.6 | 157.6 | 0 | 111.6 | H212 S213 R214 Q219 R220 | H212-K216 PolarHBondContact CD2-NZ 3.49Å; H212-K216 VanDerWaalsContact CD2-NZ 3.33Å; H212-K216 WeakPolarHBondContact NE2-CE 3.45Å; H212-K216 PolarHBondContact NE2-NZ 3.43Å; H212-K216 WeakPolarHBondContact O-CG 3.37Å; H212-K216 PolarHBondContact O-N 2.95Å; S213-K216 WeakPolarHBondContact O-CB 2.89Å; S213-K216 PolarHBondContact O-N 3.28Å; R214-K216 PolarHBondContact O-N 3.04Å; K216-Q219 PolarHBondContact O-N 3.38Å; K216-R220 VanDerWaalsContact O-CB 3.28Å; K216-R220 WeakPolarHBondContact O-CB 3.46Å; K216-R220 PolarHBondContact O-N 3Å |
| 217 | E | 94.5 | Very high | 93.2 | Very high | 55 Ų | 55 | 75.9 Ų | 75.9 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.3 | -39 | 177.5 | 179.8 | 60.2 | -172 | 0 | 0 | 111.9 | F179 S213 R214 L215 Q219 R220 R221 | F179-E217 HydrophobicContact CD1-CG 4.27Å; F179-E217 HydrophobicContact CE1-CB 4.37Å; F179-E217 HydrophobicContact CE1-CG 3.7Å; S213-E217 PolarHBondContact O-N 2.94Å; R214-E217 PolarHBondContact O-N 3.09Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-E217 PolarHBondContact O-N 3.15Å; E217-Q219 PolarHBondContact O-N 2.95Å; E217-R220 PolarHBondContact O-N 3.08Å; E217-R220 IonicContact OE1-NH1 3.14Å; E217-R220 PolarHBondContact OE1-NH1 3.14Å; E217-R220 IonicContact OE2-NH1 3.5Å; E217-R220 PolarHBondContact OE2-NH1 3.09Å; E217-R221 WeakPolarHBondContact O-CG 3.49Å; E217-R221 PolarHBondContact O-N 2.8Å; E217-R221 IonicContact OE1-CZ 2.8Å; E217-R221 IonicContact OE1-NE 3.31Å; E217-R221 PolarHBondContact OE1-NE 3.45Å; E217-R221 IonicContact OE1-NH2 2.83Å; E217-R221 PolarHBondContact OE1-NH2 2.97Å; E217-R221 VanDerWaalsContact OE1-NH2 3.14Å |
| 218 | R | 93.5 | Very high | 92.8 | Very high | 25 Ų | 25 | 75.5 Ų | 75.5 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.5 | -50 | 172 | -171.1 | -172.4 | -67.8 | 163 | -4.1 | 110.9 | E178 F179 D180 E184 R214 L215 R220 R221 K222 | E178-R218 WeakPolarHBondContact OE2-CD 3.42Å; E178-R218 WeakPolarHBondContact OE2-CG 3.41Å; F179-R218 HydrophobicContact CB-CG 4.34Å; F179-R218 HydrophobicContact CD1-CB 4.41Å; F179-R218 PolarHBondContact O-NE 3.24Å; D180-R218 PolarHBondContact O-NH2 2.77Å; E184-R218 IonicContact OE1-CZ 2.78Å; E184-R218 IonicContact OE1-NH1 2.9Å; E184-R218 PolarHBondContact OE1-NH1 2.96Å; E184-R218 IonicContact OE1-NH2 3.82Å; E184-R218 PolarHBondContact OE1-NH2 3.19Å; E184-R218 IonicContact OE2-NH2 3.28Å; E184-R218 PolarHBondContact OE2-NH2 3.47Å; R214-R218 WeakPolarHBondContact O-CB 3.43Å; R214-R218 PolarHBondContact O-N 3.16Å; L215-R218 WeakPolarHBondContact O-CB 3.4Å; L215-R218 PolarHBondContact O-N 2.97Å; R218-R220 PolarHBondContact O-N 3.04Å; R218-R221 PolarHBondContact O-N 2.86Å; R218-K222 PolarHBondContact O-N 3.49Å; R218-K222 VanDerWaalsContact O-N 3.11Å |
| 219 | Q | 92.9 | Very high | 92.4 | Very high | 115 Ų | 115 | 75 Ų | 75 | 54% | 0.537 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 177.8 | -175.6 | 62 | 5.8 | 0 | 0 | 112.5 | L215 K216 E217 R221 K222 K223 | L215-Q219 WeakPolarHBondContact O-CB 3.49Å; L215-Q219 PolarHBondContact O-N 3.06Å; K216-Q219 PolarHBondContact O-N 3.38Å; E217-Q219 PolarHBondContact O-N 2.95Å; Q219-R221 VanDerWaalsContact C-N 3.32Å; Q219-R221 PolarHBondContact O-N 3.26Å; Q219-K222 PolarHBondContact O-N 3.28Å; Q219-K223 WeakPolarHBondContact O-CB 3.49Å; Q219-K223 PolarHBondContact O-N 2.78Å |
| 220 | R | 93.1 | Very high | 92 | Very high | 107 Ų | 107 | 72.1 Ų | 72.1 | 40% | 0.404 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 176.5 | 177.9 | 174.4 | 167.3 | -87 | -8.4 | 111.5 | K216 E217 R218 K223 I224 R259 | K216-R220 VanDerWaalsContact O-CB 3.28Å; K216-R220 WeakPolarHBondContact O-CB 3.46Å; K216-R220 PolarHBondContact O-N 3Å; E217-R220 PolarHBondContact O-N 3.08Å; E217-R220 IonicContact OE1-NH1 3.14Å; E217-R220 PolarHBondContact OE1-NH1 3.14Å; E217-R220 IonicContact OE2-NH1 3.5Å; E217-R220 PolarHBondContact OE2-NH1 3.09Å; R218-R220 PolarHBondContact O-N 3.04Å; R220-K223 PolarHBondContact O-N 3.41Å; R220-I224 HydrophobicContact CG-CD1 4.06Å; R220-I224 WeakPolarHBondContact O-CG1 3.2Å; R220-I224 PolarHBondContact O-N 3.01Å; R220-R259 PolarHBondContact NH2-O 2.95Å; R220-R259 VanDerWaalsContact NH2-O 3.14Å |
| 221 | R | 91.8 | Very high | 91.6 | Very high | 95 Ų | 95 | 69 Ų | 69 | 36% | 0.358 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66 | -44.9 | 177.8 | -71.9 | 179.3 | -174.7 | -164.8 | 10.3 | 112.5 | F179 E217 R218 Q219 K223 I224 I225 | F179-R221 VanDerWaalsContact CE2-CZ 3.45Å; F179-R221 VanDerWaalsContact CZ-NH1 3.3Å; E217-R221 WeakPolarHBondContact O-CG 3.49Å; E217-R221 PolarHBondContact O-N 2.8Å; E217-R221 IonicContact OE1-CZ 2.8Å; E217-R221 IonicContact OE1-NE 3.31Å; E217-R221 PolarHBondContact OE1-NE 3.45Å; E217-R221 IonicContact OE1-NH2 2.83Å; E217-R221 PolarHBondContact OE1-NH2 2.97Å; E217-R221 VanDerWaalsContact OE1-NH2 3.14Å; R218-R221 PolarHBondContact O-N 2.86Å; Q219-R221 VanDerWaalsContact C-N 3.32Å; Q219-R221 PolarHBondContact O-N 3.26Å; R221-K223 VanDerWaalsContact C-N 3.28Å; R221-K223 PolarHBondContact O-N 3.43Å; R221-I224 PolarHBondContact O-N 2.71Å; R221-I225 WeakPolarHBondContact O-CG1 3.06Å; R221-I225 PolarHBondContact O-N 3.32Å |
| 222 | K | 90.9 | Very high | 91 | Very high | 41 Ų | 41 | 68.8 Ų | 68.8 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.9 | -45.6 | 173.9 | -73.1 | -178.4 | -176.1 | 179.4 | 0 | 111.7 | D174 F175 E178 R218 Q219 I224 I225 R226 | D174-K222 WeakPolarHBondContact OD1-CE 3.48Å; D174-K222 IonicContact OD1-NZ 3.05Å; D174-K222 PolarHBondContact OD1-NZ 3.49Å; F175-K222 HydrophobicContact CE2-CG 4.45Å; E178-K222 WeakPolarHBondContact OE1-CE 3.5Å; E178-K222 IonicContact OE1-NZ 2.97Å; E178-K222 PolarHBondContact OE1-NZ 3.31Å; E178-K222 WeakPolarHBondContact OE2-CE 3.28Å; E178-K222 IonicContact OE2-NZ 2.63Å; E178-K222 PolarHBondContact OE2-NZ 3.49Å; R218-K222 PolarHBondContact O-N 3.49Å; R218-K222 VanDerWaalsContact O-N 3.11Å; Q219-K222 PolarHBondContact O-N 3.28Å; K222-I224 PolarHBondContact O-N 3.06Å; K222-I225 PolarHBondContact O-N 2.96Å; K222-R226 WeakPolarHBondContact O-CB 2.76Å; K222-R226 PolarHBondContact O-N 3.39Å |
| 223 | K | 91.3 | Very high | 90.3 | Very high | 113 Ų | 113 | 68.3 Ų | 68.3 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.2 | -49.1 | 177.2 | -177.3 | 174.2 | -179 | -175.3 | 0 | 111.4 | Q219 R220 R221 I225 R226 D227 | Q219-K223 WeakPolarHBondContact O-CB 3.49Å; Q219-K223 PolarHBondContact O-N 2.78Å; R220-K223 PolarHBondContact O-N 3.41Å; R221-K223 VanDerWaalsContact C-N 3.28Å; R221-K223 PolarHBondContact O-N 3.43Å; K223-I225 PolarHBondContact O-N 2.91Å; K223-R226 PolarHBondContact O-N 3.11Å; K223-D227 WeakPolarHBondContact CE-OD2 3.37Å; K223-D227 WeakPolarHBondContact CG-OD2 3.37Å; K223-D227 WeakPolarHBondContact O-CB 3.04Å; K223-D227 PolarHBondContact O-N 2.55Å |
| 224 | I | 90.9 | Very high | 89.5 | Confident | 30 Ų | 30 | 70.2 Ų | 70.2 | 15% | 0.154 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 177.9 | -67.1 | 162.1 | 0 | 0 | 0 | 111.2 | R220 R221 K222 R226 D227 H228 R259 | R220-I224 HydrophobicContact CG-CD1 4.06Å; R220-I224 WeakPolarHBondContact O-CG1 3.2Å; R220-I224 PolarHBondContact O-N 3.01Å; R221-I224 PolarHBondContact O-N 2.71Å; K222-I224 PolarHBondContact O-N 3.06Å; I224-R226 VanDerWaalsContact C-N 3.33Å; I224-R226 PolarHBondContact O-N 2.65Å; I224-D227 PolarHBondContact O-N 3.49Å; I224-H228 WeakPolarHBondContact O-CB 3.4Å; I224-H228 PolarHBondContact O-CD2 2.99Å; I224-H228 VanDerWaalsContact O-CD2 3.28Å; I224-H228 PolarHBondContact O-N 2.84Å; I224-H228 VanDerWaalsContact O-N 3.09Å; I224-R259 HydrophobicContact CD1-CB 4.48Å; I224-R259 HydrophobicContact CD1-CG 4.31Å |
| 225 | I | 89.7 | Confident | 88.8 | Confident | 53 Ų | 53 | 72.6 Ų | 72.6 | 27% | 0.272 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 179.8 | -69.1 | 164.4 | 0 | 0 | 0 | 111 | F175 R221 K222 K223 G229 L230 I231 | F175-I225 HydrophobicContact CE2-CD1 4.48Å; F175-I225 HydrophobicContact CZ-CD1 4.32Å; F175-I225 HydrophobicContact CZ-CG2 4.14Å; R221-I225 WeakPolarHBondContact O-CG1 3.06Å; R221-I225 PolarHBondContact O-N 3.32Å; K222-I225 PolarHBondContact O-N 2.96Å; K223-I225 PolarHBondContact O-N 2.91Å; I225-G229 PolarHBondContact O-N 2.81Å; I225-L230 HydrophobicContact CG2-CB 4.21Å; I225-L230 PolarHBondContact O-N 2.72Å; I225-I231 HydrophobicContact CG2-CG1 3.73Å |
| 226 | R | 87.9 | Confident | 88.2 | Confident | 143 Ų | 143 | 71.2 Ų | 71.2 | 54% | 0.54 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.9 | -52.3 | 178.9 | -179 | -168.6 | 65.9 | -169.6 | 0.3 | 111.8 | K222 K223 I224 H228 G229 | K222-R226 WeakPolarHBondContact O-CB 2.76Å; K222-R226 PolarHBondContact O-N 3.39Å; K223-R226 PolarHBondContact O-N 3.11Å; I224-R226 VanDerWaalsContact C-N 3.33Å; I224-R226 PolarHBondContact O-N 2.65Å; R226-H228 VanDerWaalsContact C-N 3.26Å; R226-H228 PolarHBondContact O-N 3.2Å; R226-G229 PolarHBondContact O-N 2.85Å |
| 227 | D | 89.6 | Confident | 87.6 | Confident | 63 Ų | 63 | 69.5 Ų | 69.5 | 34% | 0.337 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.9 | -31.9 | -172.2 | -65 | 0.1 | 0 | 0 | 0 | 111 | K223 I224 P263 | K223-D227 WeakPolarHBondContact CE-OD2 3.37Å; K223-D227 WeakPolarHBondContact CG-OD2 3.37Å; K223-D227 WeakPolarHBondContact O-CB 3.04Å; K223-D227 PolarHBondContact O-N 2.55Å; I224-D227 PolarHBondContact O-N 3.49Å; D227-P263 HydrophobicContact CB-CG 4.31Å; D227-P263 VanDerWaalsContact O-CB 3.23Å; D227-P263 WeakPolarHBondContact O-CB 3.17Å; D227-P263 WeakPolarHBondContact O-CG 3.34Å |
| 228 | H | 87.7 | Confident | 87.1 | Confident | 31 Ų | 31 | 72 Ų | 72 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 5.3 | 173.8 | -69.8 | -89.9 | 0 | 0 | 0 | 114.6 | I224 R226 L230 A258 L261 P263 | I224-H228 WeakPolarHBondContact O-CB 3.4Å; I224-H228 PolarHBondContact O-CD2 2.99Å; I224-H228 VanDerWaalsContact O-CD2 3.28Å; I224-H228 PolarHBondContact O-N 2.84Å; I224-H228 VanDerWaalsContact O-N 3.09Å; R226-H228 VanDerWaalsContact C-N 3.26Å; R226-H228 PolarHBondContact O-N 3.2Å; H228-L230 VanDerWaalsContact C-N 3.27Å; H228-L230 HydrophobicContact CB-CD1 3.92Å; H228-L230 HydrophobicContact CB-CD2 4.46Å; H228-L230 HydrophobicContact CB-CG 3.77Å; H228-L230 PolarHBondContact O-N 3.41Å; H228-A258 PolarHBondContact NE2-O 3.45Å; H228-A258 VanDerWaalsContact NE2-O 3.09Å; H228-L261 PolarHBondContact CE1-O 2.92Å; H228-L261 VanDerWaalsContact CE1-O 3.31Å; H228-L261 PolarHBondContact NE2-O 3.29Å; H228-P263 VanDerWaalsContact CE1-CA 3.49Å; H228-P263 WeakPolarHBondContact CE1-CA 3.12Å |
| 229 | G | 86.2 | Confident | 86.6 | Confident | 44 Ų | 44 | 74.3 Ų | 74.3 | 45% | 0.454 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 27.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I225 R226 I231 | I225-G229 PolarHBondContact O-N 2.81Å; R226-G229 PolarHBondContact O-N 2.85Å; G229-I231 PolarHBondContact O-N 3.5Å |
| 230 | L | 86.9 | Confident | 86.2 | Confident | 40 Ų | 40 | 70.1 Ų | 70.1 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 3.7 | -172.7 | -61.7 | 175.1 | 0 | 0 | 0 | 114.1 | I225 H228 F236 | I225-L230 HydrophobicContact CG2-CB 4.21Å; I225-L230 PolarHBondContact O-N 2.72Å; H228-L230 VanDerWaalsContact C-N 3.27Å; H228-L230 HydrophobicContact CB-CD1 3.92Å; H228-L230 HydrophobicContact CB-CD2 4.46Å; H228-L230 HydrophobicContact CB-CG 3.77Å; H228-L230 PolarHBondContact O-N 3.41Å; L230-F236 HydrophobicContact CD2-CD2 3.83Å; L230-F236 HydrophobicContact CD2-CE2 3.88Å |
| 231 | I | 86.9 | Confident | 86 | Confident | 30 Ų | 30 | 73.7 Ų | 73.7 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -40.5 | 179 | -61.4 | 166.8 | 0 | 0 | 0 | 110.9 | M165 Y168 I225 G229 | M165-I231 HydrophobicContact CE-CG2 3.95Å; Y168-I231 HydrophobicContact CD1-CG2 3.46Å; Y168-I231 VanDerWaalsContact CD1-CG2 3.46Å; Y168-I231 HydrophobicContact CD2-CD1 4.45Å; Y168-I231 HydrophobicContact CD2-CG2 4.37Å; Y168-I231 HydrophobicContact CE1-CD1 3.96Å; Y168-I231 HydrophobicContact CE1-CG2 3.89Å; Y168-I231 HydrophobicContact CE2-CD1 3.92Å; Y168-I231 HydrophobicContact CE2-CG1 4.48Å; Y168-I231 HydrophobicContact CG-CG2 3.71Å; I225-I231 HydrophobicContact CG2-CG1 3.73Å; G229-I231 PolarHBondContact O-N 3.5Å |
| 232 | N | 82.6 | Confident | 85.8 | Confident | 38 Ų | 38 | 77 Ų | 77 | 20% | 0.203 | 35% | 0.354 | C | S | . | . | trans | -106.1 | 86.3 | 179.2 | -171.7 | -24.3 | 0 | 0 | 0 | 110.4 | R234 K235 F236 | N232-R234 PolarHBondContact O-N 2.97Å; N232-R234 PolarHBondContact OD1-N 3.24Å; N232-K235 HydrophobicContact CB-CB 4.11Å; N232-K235 PolarHBondContact O-N 2.89Å; N232-K235 PolarHBondContact OD1-N 3.04Å; N232-F236 PolarHBondContact O-N 3.14Å; N232-F236 VanDerWaalsContact O-N 3.07Å | ||
| 233 | L | 79.4 | Confident | 85.8 | Confident | 80 Ų | 80 | 76.6 Ų | 76.6 | 42% | 0.419 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.6 | -33 | -179.6 | -74.5 | 164.3 | 0 | 0 | 0 | 113.2 | F236 Q237 | L233-F236 WeakPolarHBondContact O-CB 3.36Å; L233-F236 PolarHBondContact O-N 3.37Å; L233-Q237 WeakPolarHBondContact O-CB 3.5Å; L233-Q237 VanDerWaalsContact O-CG 3.23Å; L233-Q237 WeakPolarHBondContact O-CG 3.32Å; L233-Q237 PolarHBondContact O-N 2.89Å |
| 234 | R | 79.9 | Confident | 85.8 | Confident | 116 Ų | 116 | 72.9 Ų | 72.9 | 44% | 0.438 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.3 | -48.5 | 177.7 | -77.5 | -173.7 | -169.1 | -170.5 | 1.2 | 112.2 | D164 N232 F236 Q237 I238 | D164-R234 IonicContact OD2-CZ 3.91Å; D164-R234 VanDerWaalsContact OD2-CZ 3.23Å; D164-R234 IonicContact OD2-NE 3.79Å; D164-R234 PolarHBondContact OD2-NE 3.43Å; D164-R234 IonicContact OD2-NH2 3.57Å; D164-R234 PolarHBondContact OD2-NH2 2.83Å; N232-R234 PolarHBondContact O-N 2.97Å; N232-R234 PolarHBondContact OD1-N 3.24Å; R234-F236 PolarHBondContact O-N 3.31Å; R234-Q237 PolarHBondContact O-N 3.42Å; R234-I238 VanDerWaalsContact O-CG1 3.31Å; R234-I238 WeakPolarHBondContact O-CG1 3.48Å; R234-I238 PolarHBondContact O-N 3.18Å |
| 235 | K | 80.4 | Confident | 85.8 | Confident | 123 Ų | 123 | 78.5 Ų | 78.5 | 54% | 0.535 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58 | -41.5 | 177.1 | -170.6 | 174.1 | -177.3 | 175.8 | 0 | 109.7 | N232 I238 L239 | N232-K235 HydrophobicContact CB-CB 4.11Å; N232-K235 PolarHBondContact O-N 2.89Å; N232-K235 PolarHBondContact OD1-N 3.04Å; K235-I238 PolarHBondContact O-N 3.04Å; K235-L239 WeakPolarHBondContact O-CG 3.23Å; K235-L239 PolarHBondContact O-N 3.21Å; K235-L239 VanDerWaalsContact O-N 3.15Å |
| 236 | F | 80 | Confident | 85.9 | Confident | 23 Ų | 23 | 81.2 Ų | 81.2 | 10% | 0.101 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.3 | -54.5 | 173.6 | -169 | -74.1 | 0 | 0 | 0 | 112.6 | L230 N232 L233 R234 I238 L239 E240 Y251 R255 | L230-F236 HydrophobicContact CD2-CD2 3.83Å; L230-F236 HydrophobicContact CD2-CE2 3.88Å; N232-F236 PolarHBondContact O-N 3.14Å; N232-F236 VanDerWaalsContact O-N 3.07Å; L233-F236 WeakPolarHBondContact O-CB 3.36Å; L233-F236 PolarHBondContact O-N 3.37Å; R234-F236 PolarHBondContact O-N 3.31Å; F236-I238 VanDerWaalsContact C-N 3.26Å; F236-I238 PolarHBondContact O-N 3.17Å; F236-L239 WeakPolarHBondContact O-CB 3.46Å; F236-L239 PolarHBondContact O-N 3.05Å; F236-L239 VanDerWaalsContact O-N 3.07Å; F236-E240 HydrophobicContact CE1-CB 4.32Å; F236-E240 WeakPolarHBondContact CE1-OE2 3.45Å; F236-E240 PolarHBondContact O-N 3.16Å; F236-Y251 HydrophobicContact CE1-CD1 4.45Å; F236-Y251 HydrophobicContact CE1-CE1 4.02Å; F236-Y251 HydrophobicContact CE2-CE1 4.32Å; F236-Y251 HydrophobicContact CZ-CD1 4.16Å; F236-Y251 AromaticContact CZ-CE1 3.33Å; F236-Y251 HydrophobicContact CZ-CE1 3.33Å; F236-Y251 AromaticContact CZ-CZ 3.55Å; F236-Y251 WeakPolarHBondContact CZ-OH 3.36Å; F236-R255 VanDerWaalsContact CD1-NH1 3.34Å |
| 237 | Q | 82.8 | Confident | 86.1 | Confident | 94 Ų | 94 | 74.4 Ų | 74.4 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.1 | -35 | -179.5 | -74.6 | 169.2 | 1 | 0 | 0 | 112.7 | L233 R234 E240 R241 | L233-Q237 WeakPolarHBondContact O-CB 3.5Å; L233-Q237 VanDerWaalsContact O-CG 3.23Å; L233-Q237 WeakPolarHBondContact O-CG 3.32Å; L233-Q237 PolarHBondContact O-N 2.89Å; R234-Q237 PolarHBondContact O-N 3.42Å; Q237-E240 PolarHBondContact O-N 2.82Å; Q237-R241 WeakPolarHBondContact O-CG 3.47Å; Q237-R241 PolarHBondContact O-N 3.21Å; Q237-R241 VanDerWaalsContact O-N 3.11Å |
| 238 | I | 84.8 | Confident | 86.2 | Confident | 109 Ų | 109 | 74 Ų | 74 | 56% | 0.559 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.4 | -41.6 | 175.7 | -68.1 | 165.1 | 0 | 0 | 0 | 110.8 | R234 K235 F236 E240 R241 | R234-I238 VanDerWaalsContact O-CG1 3.31Å; R234-I238 WeakPolarHBondContact O-CG1 3.48Å; R234-I238 PolarHBondContact O-N 3.18Å; K235-I238 PolarHBondContact O-N 3.04Å; F236-I238 VanDerWaalsContact C-N 3.26Å; F236-I238 PolarHBondContact O-N 3.17Å; I238-E240 VanDerWaalsContact C-N 3.34Å; I238-R241 PolarHBondContact O-N 2.76Å |
| 239 | L | 82.6 | Confident | 86.4 | Confident | 72 Ų | 72 | 76.4 Ų | 76.4 | 38% | 0.377 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 178 | -67.1 | 167.7 | 0 | 0 | 0 | 111.7 | K235 F236 R242 | K235-L239 WeakPolarHBondContact O-CG 3.23Å; K235-L239 PolarHBondContact O-N 3.21Å; K235-L239 VanDerWaalsContact O-N 3.15Å; F236-L239 WeakPolarHBondContact O-CB 3.46Å; F236-L239 PolarHBondContact O-N 3.05Å; F236-L239 VanDerWaalsContact O-N 3.07Å; L239-R242 WeakPolarHBondContact O-CB 3.41Å; L239-R242 WeakPolarHBondContact O-CG 3.49Å; L239-R242 PolarHBondContact O-N 3.4Å; L239-R242 PolarHBondContact O-NE 2.8Å |
| 240 | E | 84.9 | Confident | 86.6 | Confident | 27 Ų | 27 | 76.2 Ų | 76.2 | 13% | 0.126 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 178 | -170.1 | 167.8 | -156.9 | 0 | 0 | 112.1 | F236 Q237 I238 R242 Y243 Q248 Y251 R255 | F236-E240 HydrophobicContact CE1-CB 4.32Å; F236-E240 WeakPolarHBondContact CE1-OE2 3.45Å; F236-E240 PolarHBondContact O-N 3.16Å; Q237-E240 PolarHBondContact O-N 2.82Å; I238-E240 VanDerWaalsContact C-N 3.34Å; E240-R242 PolarHBondContact O-N 3.01Å; E240-Y243 WeakPolarHBondContact O-CD2 3.32Å; E240-Y243 PolarHBondContact O-N 3.06Å; E240-Y243 VanDerWaalsContact O-N 3.15Å; E240-Q248 HydrophobicContact CG-CG 4.31Å; E240-Q248 WeakPolarHBondContact O-CG 3.31Å; E240-Y251 HydrophobicContact CG-CG 4.47Å; E240-R255 IonicContact OE1-NH2 3.68Å; E240-R255 PolarHBondContact OE1-NH2 2.99Å; E240-R255 VanDerWaalsContact OE1-NH2 3.12Å; E240-R255 IonicContact OE2-NH2 2.63Å; E240-R255 PolarHBondContact OE2-NH2 3.05Å |
| 241 | R | 88.2 | Confident | 86.7 | Confident | 182 Ų | 182 | 75.2 Ų | 75.2 | 69% | 0.687 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -12.9 | 176.4 | -76.9 | 175.7 | -175 | -176.2 | 3.2 | 114.9 | Q237 I238 Y243 | Q237-R241 WeakPolarHBondContact O-CG 3.47Å; Q237-R241 PolarHBondContact O-N 3.21Å; Q237-R241 VanDerWaalsContact O-N 3.11Å; I238-R241 PolarHBondContact O-N 2.76Å; R241-Y243 VanDerWaalsContact C-N 3.26Å; R241-Y243 PolarHBondContact O-N 3.33Å |
| 242 | R | 89 | Confident | 86.8 | Confident | 165 Ų | 165 | 79.7 Ų | 79.7 | 62% | 0.623 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -23.8 | 176.6 | -62.3 | -178 | -62.9 | 173 | 7.9 | 112.4 | L239 E240 | L239-R242 WeakPolarHBondContact O-CB 3.41Å; L239-R242 WeakPolarHBondContact O-CG 3.49Å; L239-R242 PolarHBondContact O-N 3.4Å; L239-R242 PolarHBondContact O-NE 2.8Å; E240-R242 PolarHBondContact O-N 3.01Å |
| 243 | Y | 90.4 | Very high | 87.2 | Confident | 33 Ų | 33 | 81.6 Ų | 81.6 | 13% | 0.129 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -87.4 | 157.3 | -177.8 | -56.7 | -72.8 | 0 | 0 | 0 | 112.5 | E240 R241 V247 Q248 Y251 I270 E271 A274 | E240-Y243 WeakPolarHBondContact O-CD2 3.32Å; E240-Y243 PolarHBondContact O-N 3.06Å; E240-Y243 VanDerWaalsContact O-N 3.15Å; R241-Y243 VanDerWaalsContact C-N 3.26Å; R241-Y243 PolarHBondContact O-N 3.33Å; Y243-V247 HydrophobicContact CD1-CG1 3.96Å; Y243-V247 HydrophobicContact CG-CG1 3.86Å; Y243-Q248 PolarHBondContact O-NE2 3.05Å; Y243-Y251 HydrophobicContact CE2-CD2 4.39Å; Y243-I270 HydrophobicContact CE2-CG2 4.38Å; Y243-E271 PolarHBondContact OH-OE1 2.94Å; Y243-A274 HydrophobicContact CD1-CB 3.91Å; Y243-A274 HydrophobicContact CE1-CB 4.09Å |
| 244 | P | 91.3 | Very high | 87.6 | Confident | 34 Ų | 34 | 79.3 Ų | 79.3 | 22% | 0.221 | 36% | 0.361 | C | S | . | . | trans | -57.9 | 156.3 | 166.2 | -22.7 | 34.3 | 0 | 0 | 0 | 112.2 | E246 V247 Q248 F277 | P244-E246 VanDerWaalsContact C-N 3.28Å; P244-E246 PolarHBondContact O-N 3.07Å; P244-V247 HydrophobicContact CB-CG2 4.44Å; P244-V247 HydrophobicContact CG-CG2 4.42Å; P244-V247 PolarHBondContact O-N 3.26Å; P244-Q248 WeakPolarHBondContact O-CG 3.42Å; P244-Q248 PolarHBondContact O-N 3.49Å; P244-F277 HydrophobicContact CB-CD1 4.17Å; P244-F277 HydrophobicContact CB-CE1 3.57Å; P244-F277 HydrophobicContact CB-CZ 4.1Å; P244-F277 HydrophobicContact CG-CD1 3.88Å; P244-F277 HydrophobicContact CG-CE1 3.63Å | ||
| 245 | K | 91.4 | Very high | 87.9 | Confident | 149 Ų | 149 | 77 Ų | 77 | 65% | 0.648 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -56.7 | -40.6 | -175.1 | -173 | 175.2 | 178.6 | -178 | 0 | 112.7 | V247 Q248 D249 | K245-V247 VanDerWaalsContact C-N 3.27Å; K245-V247 PolarHBondContact O-N 3.04Å; K245-Q248 WeakPolarHBondContact O-CB 3.43Å; K245-Q248 PolarHBondContact O-N 3.19Å; K245-D249 VanDerWaalsContact O-CG 3.25Å; K245-D249 PolarHBondContact O-N 3.35Å |
| 246 | E | 90.5 | Very high | 88.3 | Confident | 109 Ų | 109 | 79.6 Ų | 79.6 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.4 | -35.7 | 178.8 | -61.8 | 84.3 | 170.6 | 0 | 0 | 112.4 | P244 L250 F277 | P244-E246 VanDerWaalsContact C-N 3.28Å; P244-E246 PolarHBondContact O-N 3.07Å; E246-L250 PolarHBondContact O-N 2.99Å; E246-F277 HydrophobicContact CB-CD2 4.21Å; E246-F277 HydrophobicContact CB-CE2 3.72Å; E246-F277 HydrophobicContact CB-CZ 4.26Å; E246-F277 HydrophobicContact CG-CE2 3.77Å; E246-F277 HydrophobicContact CG-CZ 4.19Å; E246-F277 WeakPolarHBondContact OE2-CZ 3.47Å |
| 247 | V | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -77.8 | -35.3 | 177.3 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | Y243 P244 K245 L250 Y251 A274 F277 | Y243-V247 HydrophobicContact CD1-CG1 3.96Å; Y243-V247 HydrophobicContact CG-CG1 3.86Å; P244-V247 HydrophobicContact CB-CG2 4.44Å; P244-V247 HydrophobicContact CG-CG2 4.42Å; P244-V247 PolarHBondContact O-N 3.26Å; K245-V247 VanDerWaalsContact C-N 3.27Å; K245-V247 PolarHBondContact O-N 3.04Å; V247-L250 PolarHBondContact O-N 3.4Å; V247-Y251 WeakPolarHBondContact O-CB 3.48Å; V247-Y251 PolarHBondContact O-N 3.31Å; V247-A274 HydrophobicContact CG1-CB 3.94Å; V247-A274 HydrophobicContact CG2-CB 4.43Å; V247-F277 HydrophobicContact CG2-CB 4Å; V247-F277 HydrophobicContact CG2-CD1 4.22Å; V247-F277 HydrophobicContact CG2-CG 4.02Å |
| 248 | Q | 91.9 | Very high | 88.8 | Confident | 56 Ų | 56 | 79.4 Ų | 79.4 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 171.6 | -66.2 | 177.6 | 20.3 | 0 | 0 | 111.4 | E240 Y243 P244 K245 L250 Y251 E252 | E240-Q248 HydrophobicContact CG-CG 4.31Å; E240-Q248 WeakPolarHBondContact O-CG 3.31Å; Y243-Q248 PolarHBondContact O-NE2 3.05Å; P244-Q248 WeakPolarHBondContact O-CG 3.42Å; P244-Q248 PolarHBondContact O-N 3.49Å; K245-Q248 WeakPolarHBondContact O-CB 3.43Å; K245-Q248 PolarHBondContact O-N 3.19Å; Q248-L250 VanDerWaalsContact C-N 3.29Å; Q248-L250 PolarHBondContact O-N 3.29Å; Q248-Y251 WeakPolarHBondContact O-CA 3.35Å; Q248-Y251 VanDerWaalsContact O-CB 3.31Å; Q248-Y251 WeakPolarHBondContact O-CB 3.5Å; Q248-Y251 PolarHBondContact O-N 2.95Å; Q248-E252 PolarHBondContact O-N 2.94Å |
| 249 | D | 91.3 | Very high | 88.9 | Confident | 81 Ų | 81 | 81.9 Ų | 81.9 | 43% | 0.433 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 178.1 | -66 | -18.6 | 0 | 0 | 0 | 111.4 | K245 T253 | K245-D249 VanDerWaalsContact O-CG 3.25Å; K245-D249 PolarHBondContact O-N 3.35Å; D249-T253 PolarHBondContact O-N 2.8Å; D249-T253 VanDerWaalsContact O-N 3.13Å; D249-T253 PolarHBondContact O-OG1 3.15Å |
| 250 | L | 90.9 | Very high | 89.2 | Confident | 39 Ų | 39 | 85.4 Ų | 85.4 | 20% | 0.204 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 171.1 | 178.9 | 67.3 | 0 | 0 | 0 | 111.2 | E246 V247 Q248 E252 T253 M254 F269 H273 | E246-L250 PolarHBondContact O-N 2.99Å; V247-L250 PolarHBondContact O-N 3.4Å; Q248-L250 VanDerWaalsContact C-N 3.29Å; Q248-L250 PolarHBondContact O-N 3.29Å; L250-E252 VanDerWaalsContact C-N 3.31Å; L250-E252 PolarHBondContact O-N 3.47Å; L250-T253 WeakPolarHBondContact O-CB 3.33Å; L250-T253 PolarHBondContact O-N 3.5Å; L250-T253 VanDerWaalsContact O-N 3.16Å; L250-M254 HydrophobicContact CD1-CG 3.76Å; L250-M254 HydrophobicContact CD1-SD 4.39Å; L250-M254 HydrophobicContact CG-CG 3.96Å; L250-M254 WeakPolarHBondContact O-CB 3.43Å; L250-M254 VanDerWaalsContact O-CG 3.27Å; L250-M254 WeakPolarHBondContact O-CG 3.22Å; L250-M254 PolarHBondContact O-N 3.29Å; L250-F269 HydrophobicContact CD2-CE1 4.04Å; L250-H273 HydrophobicContact CD2-CB 3.77Å; L250-H273 WeakPolarHBondContact CD2-CD2 3.38Å |
| 251 | Y | 89.6 | Confident | 89.3 | Confident | 19 Ų | 19 | 87 Ų | 87 | 8% | 0.075 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -54.5 | -49.9 | 178.7 | -158.5 | -57.9 | 0 | 0 | 0 | 110.5 | F236 E240 Y243 V247 Q248 T253 M254 R255 H266 I270 | F236-Y251 HydrophobicContact CE1-CD1 4.45Å; F236-Y251 HydrophobicContact CE1-CE1 4.02Å; F236-Y251 HydrophobicContact CE2-CE1 4.32Å; F236-Y251 HydrophobicContact CZ-CD1 4.16Å; F236-Y251 AromaticContact CZ-CE1 3.33Å; F236-Y251 HydrophobicContact CZ-CE1 3.33Å; F236-Y251 AromaticContact CZ-CZ 3.55Å; F236-Y251 WeakPolarHBondContact CZ-OH 3.36Å; E240-Y251 HydrophobicContact CG-CG 4.47Å; Y243-Y251 HydrophobicContact CE2-CD2 4.39Å; V247-Y251 WeakPolarHBondContact O-CB 3.48Å; V247-Y251 PolarHBondContact O-N 3.31Å; Q248-Y251 WeakPolarHBondContact O-CA 3.35Å; Q248-Y251 VanDerWaalsContact O-CB 3.31Å; Q248-Y251 WeakPolarHBondContact O-CB 3.5Å; Q248-Y251 PolarHBondContact O-N 2.95Å; Y251-T253 VanDerWaalsContact C-N 3.32Å; Y251-T253 PolarHBondContact O-N 2.92Å; Y251-M254 PolarHBondContact O-N 2.79Å; Y251-M254 VanDerWaalsContact O-N 3.15Å; Y251-R255 PolarHBondContact O-N 2.83Å; Y251-H266 AromaticContact CE1-CE1 3.68Å; Y251-H266 AromaticContact CZ-CE1 3.77Å; Y251-I270 HydrophobicContact CD2-CB 4.17Å; Y251-I270 HydrophobicContact CD2-CD1 3.97Å; Y251-I270 HydrophobicContact CD2-CG1 3.76Å; Y251-I270 HydrophobicContact CD2-CG2 3.41Å; Y251-I270 VanDerWaalsContact CD2-CG2 3.41Å; Y251-I270 HydrophobicContact CE2-CB 4.15Å; Y251-I270 HydrophobicContact CE2-CD1 4.42Å; Y251-I270 HydrophobicContact CE2-CG1 3.76Å; Y251-I270 HydrophobicContact CE2-CG2 3.68Å; Y251-I270 HydrophobicContact CG-CD1 4.16Å; Y251-I270 HydrophobicContact CG-CG1 4.38Å; Y251-I270 HydrophobicContact CG-CG2 4.5Å |
| 252 | E | 88.6 | Confident | 89.4 | Confident | 125 Ų | 125 | 79.5 Ų | 79.5 | 58% | 0.584 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.2 | -42.8 | 178.5 | -172.8 | 176 | -178.1 | 0 | 0 | 111.9 | Q248 L250 R255 | Q248-E252 PolarHBondContact O-N 2.94Å; L250-E252 VanDerWaalsContact C-N 3.31Å; L250-E252 PolarHBondContact O-N 3.47Å; E252-R255 WeakPolarHBondContact O-CB 3.41Å; E252-R255 PolarHBondContact O-N 3.31Å |
| 253 | T | 90.4 | Very high | 89.4 | Confident | 78 Ų | 78 | 73.4 Ų | 73.4 | 48% | 0.479 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | D249 L250 Y251 R255 | D249-T253 PolarHBondContact O-N 2.8Å; D249-T253 VanDerWaalsContact O-N 3.13Å; D249-T253 PolarHBondContact O-OG1 3.15Å; L250-T253 WeakPolarHBondContact O-CB 3.33Å; L250-T253 PolarHBondContact O-N 3.5Å; L250-T253 VanDerWaalsContact O-N 3.16Å; Y251-T253 VanDerWaalsContact C-N 3.32Å; Y251-T253 PolarHBondContact O-N 2.92Å; T253-R255 VanDerWaalsContact C-N 3.31Å; T253-R255 PolarHBondContact O-N 2.91Å |
| 254 | M | 89.4 | Confident | 89.5 | Confident | 31 Ų | 31 | 75.6 Ų | 75.6 | 15% | 0.153 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -72.6 | -22.6 | -177.2 | -70.8 | -58 | -64 | 0 | 0 | 113.2 | L250 Y251 R256 F257 H266 F269 I270 | L250-M254 HydrophobicContact CD1-CG 3.76Å; L250-M254 HydrophobicContact CD1-SD 4.39Å; L250-M254 HydrophobicContact CG-CG 3.96Å; L250-M254 WeakPolarHBondContact O-CB 3.43Å; L250-M254 VanDerWaalsContact O-CG 3.27Å; L250-M254 WeakPolarHBondContact O-CG 3.22Å; L250-M254 PolarHBondContact O-N 3.29Å; Y251-M254 PolarHBondContact O-N 2.79Å; Y251-M254 VanDerWaalsContact O-N 3.15Å; M254-R256 PolarHBondContact O-N 3.24Å; M254-R256 VanDerWaalsContact O-N 3.12Å; M254-F257 HydrophobicContact CE-CD2 4.36Å; M254-F257 WeakPolarHBondContact O-CB 3.45Å; M254-F257 PolarHBondContact O-N 2.95Å; M254-F257 HydrophobicContact SD-CD2 4.12Å; M254-F257 HydrophobicContact SD-CE2 4.41Å; M254-H266 PolarHBondContact O-NE2 2.81Å; M254-F269 HydrophobicContact CE-CD1 3.81Å; M254-F269 HydrophobicContact CE-CE1 3.6Å; M254-F269 HydrophobicContact CE-CZ 4.17Å; M254-F269 HydrophobicContact CG-CD1 4.25Å; M254-F269 HydrophobicContact CG-CE1 3.73Å; M254-F269 HydrophobicContact SD-CE1 3.83Å; M254-F269 HydrophobicContact SD-CZ 4.37Å; M254-I270 HydrophobicContact CB-CD1 4.11Å; M254-I270 HydrophobicContact CG-CD1 4.26Å |
| 255 | R | 86 | Confident | 89.5 | Confident | 68 Ų | 68 | 78.8 Ų | 78.8 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -54.6 | -33 | 177.7 | -168.9 | -174.8 | -59.2 | -91.7 | 3 | 112.7 | F236 E240 Y251 E252 T253 F257 A258 | F236-R255 VanDerWaalsContact CD1-NH1 3.34Å; E240-R255 IonicContact OE1-NH2 3.68Å; E240-R255 PolarHBondContact OE1-NH2 2.99Å; E240-R255 VanDerWaalsContact OE1-NH2 3.12Å; E240-R255 IonicContact OE2-NH2 2.63Å; E240-R255 PolarHBondContact OE2-NH2 3.05Å; Y251-R255 PolarHBondContact O-N 2.83Å; E252-R255 WeakPolarHBondContact O-CB 3.41Å; E252-R255 PolarHBondContact O-N 3.31Å; T253-R255 VanDerWaalsContact C-N 3.31Å; T253-R255 PolarHBondContact O-N 2.91Å; R255-F257 PolarHBondContact O-N 3.35Å; R255-A258 VanDerWaalsContact O-CB 3.25Å; R255-A258 WeakPolarHBondContact O-CB 3.35Å; R255-A258 PolarHBondContact O-N 3.27Å; R255-A258 VanDerWaalsContact O-N 3.13Å |
| 256 | R | 87.4 | Confident | 89.4 | Confident | 178 Ų | 178 | 71.9 Ų | 71.9 | 67% | 0.672 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -61.8 | -26.6 | 178.8 | -60.7 | 178 | -175 | 178.6 | 2.9 | 112.6 | M254 R259 | M254-R256 PolarHBondContact O-N 3.24Å; M254-R256 VanDerWaalsContact O-N 3.12Å; R256-R259 PolarHBondContact O-NE 3.39Å |
| 257 | F | 89.4 | Confident | 89.4 | Confident | 102 Ų | 102 | 70.6 Ų | 70.6 | 45% | 0.447 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -89.3 | -3.4 | -179.1 | -60 | -84.8 | 0 | 0 | 0 | 113.8 | M254 R255 R259 I260 L261 | M254-F257 HydrophobicContact CE-CD2 4.36Å; M254-F257 WeakPolarHBondContact O-CB 3.45Å; M254-F257 PolarHBondContact O-N 2.95Å; M254-F257 HydrophobicContact SD-CD2 4.12Å; M254-F257 HydrophobicContact SD-CE2 4.41Å; R255-F257 PolarHBondContact O-N 3.35Å; F257-R259 PolarHBondContact O-N 3.44Å; F257-I260 PolarHBondContact O-N 2.95Å; F257-L261 PolarHBondContact O-N 3.02Å |
| 258 | A | 84.4 | Confident | 89.4 | Confident | 10 Ų | 10 | 76.8 Ų | 76.8 | 8% | 0.083 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -59 | -12.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | H228 R255 I260 | H228-A258 PolarHBondContact NE2-O 3.45Å; H228-A258 VanDerWaalsContact NE2-O 3.09Å; R255-A258 VanDerWaalsContact O-CB 3.25Å; R255-A258 WeakPolarHBondContact O-CB 3.35Å; R255-A258 PolarHBondContact O-N 3.27Å; R255-A258 VanDerWaalsContact O-N 3.13Å; A258-I260 VanDerWaalsContact C-N 3.26Å; A258-I260 PolarHBondContact O-N 3.42Å |
| 259 | R | 87.5 | Confident | 89.4 | Confident | 162 Ų | 162 | 78.4 Ų | 78.4 | 61% | 0.611 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -76.2 | -12.5 | 172.9 | -71.2 | -178 | -84.1 | -171.3 | -9.8 | 114.2 | R220 I224 R256 F257 | R220-R259 PolarHBondContact NH2-O 2.95Å; R220-R259 VanDerWaalsContact NH2-O 3.14Å; I224-R259 HydrophobicContact CD1-CB 4.48Å; I224-R259 HydrophobicContact CD1-CG 4.31Å; R256-R259 PolarHBondContact O-NE 3.39Å; F257-R259 PolarHBondContact O-N 3.44Å |
| 260 | I | 88.1 | Confident | 89.5 | Confident | 146 Ų | 146 | 74.6 Ų | 74.6 | 75% | 0.749 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | -44.2 | -171 | -54.2 | 173.6 | 0 | 0 | 0 | 110 | F257 A258 | F257-I260 PolarHBondContact O-N 2.95Å; A258-I260 VanDerWaalsContact C-N 3.26Å; A258-I260 PolarHBondContact O-N 3.42Å |
| 261 | L | 87.3 | Confident | 89.6 | Confident | 59 Ų | 59 | 77.2 Ų | 77.2 | 31% | 0.309 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -89.2 | 138.5 | -178.4 | -164.5 | 69.3 | 0 | 0 | 0 | 110.4 | H228 F257 E265 H266 | H228-L261 PolarHBondContact CE1-O 2.92Å; H228-L261 VanDerWaalsContact CE1-O 3.31Å; H228-L261 PolarHBondContact NE2-O 3.29Å; F257-L261 PolarHBondContact O-N 3.02Å; L261-E265 HydrophobicContact CD1-CB 3.75Å; L261-E265 HydrophobicContact CD2-CB 4.3Å; L261-E265 HydrophobicContact CG-CB 3.84Å; L261-H266 VanDerWaalsContact CD2-CA 3.44Å; L261-H266 HydrophobicContact CD2-CB 3.76Å; L261-H266 HydrophobicContact CG-CB 4.3Å |
| 262 | G | 89.8 | Confident | 89.8 | Confident | 26 Ų | 26 | 80 Ų | 80 | 27% | 0.268 | 39% | 0.39 | S | S | . | . | trans | -67.4 | 160.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V264 E265 H266 | G262-V264 PolarHBondContact O-N 3.28Å; G262-E265 VanDerWaalsContact C-OE2 3.28Å; G262-E265 WeakPolarHBondContact CA-OE2 3.36Å; G262-E265 PolarHBondContact O-N 3.44Å; G262-H266 VanDerWaalsContact O-CB 3.31Å; G262-H266 WeakPolarHBondContact O-CB 3.5Å; G262-H266 PolarHBondContact O-N 3.46Å | ||
| 263 | P | 89.7 | Confident | 90.1 | Very high | 37 Ų | 37 | 76.9 Ų | 76.9 | 24% | 0.24 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | -175 | 24.9 | -34.4 | 0 | 0 | 0 | 112.3 | D227 H228 H266 D267 | D227-P263 HydrophobicContact CB-CG 4.31Å; D227-P263 VanDerWaalsContact O-CB 3.23Å; D227-P263 WeakPolarHBondContact O-CB 3.17Å; D227-P263 WeakPolarHBondContact O-CG 3.34Å; H228-P263 VanDerWaalsContact CE1-CA 3.49Å; H228-P263 WeakPolarHBondContact CE1-CA 3.12Å; P263-H266 PolarHBondContact O-N 2.87Å; P263-D267 PolarHBondContact O-N 2.86Å |
| 264 | V | 91.4 | Very high | 90.3 | Very high | 79 Ų | 79 | 73.4 Ų | 73.4 | 48% | 0.479 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | -178.8 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | G262 K268 | G262-V264 PolarHBondContact O-N 3.28Å; V264-K268 HydrophobicContact CG1-CD 4.17Å; V264-K268 WeakPolarHBondContact O-CB 3.11Å; V264-K268 VanDerWaalsContact O-CG 3.23Å; V264-K268 WeakPolarHBondContact O-CG 3.4Å; V264-K268 PolarHBondContact O-N 3.37Å |
| 265 | E | 91.6 | Very high | 90.6 | Very high | 101 Ų | 101 | 76.7 Ų | 76.7 | 47% | 0.472 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.2 | -37.9 | 177.6 | -62.5 | 75.9 | -162.6 | 0 | 0 | 111.4 | L261 G262 F269 | L261-E265 HydrophobicContact CD1-CB 3.75Å; L261-E265 HydrophobicContact CD2-CB 4.3Å; L261-E265 HydrophobicContact CG-CB 3.84Å; G262-E265 VanDerWaalsContact C-OE2 3.28Å; G262-E265 WeakPolarHBondContact CA-OE2 3.36Å; G262-E265 PolarHBondContact O-N 3.44Å; E265-F269 WeakPolarHBondContact O-CB 3.44Å; E265-F269 PolarHBondContact O-N 2.77Å |
| 266 | H | 90 | Very high | 91 | Very high | 3 Ų | 3 | 76.9 Ų | 76.9 | 1% | 0.014 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.4 | -50.7 | 175.7 | -173 | -86 | 0 | 0 | 0 | 111.5 | Y251 M254 L261 G262 P263 K268 F269 I270 | Y251-H266 AromaticContact CE1-CE1 3.68Å; Y251-H266 AromaticContact CZ-CE1 3.77Å; M254-H266 PolarHBondContact O-NE2 2.81Å; L261-H266 VanDerWaalsContact CD2-CA 3.44Å; L261-H266 HydrophobicContact CD2-CB 3.76Å; L261-H266 HydrophobicContact CG-CB 4.3Å; G262-H266 VanDerWaalsContact O-CB 3.31Å; G262-H266 WeakPolarHBondContact O-CB 3.5Å; G262-H266 PolarHBondContact O-N 3.46Å; P263-H266 PolarHBondContact O-N 2.87Å; H266-K268 VanDerWaalsContact C-N 3.35Å; H266-K268 PolarHBondContact O-N 3.48Å; H266-F269 WeakPolarHBondContact O-CB 3.48Å; H266-F269 PolarHBondContact O-N 3.44Å; H266-F269 VanDerWaalsContact O-N 3.12Å; H266-I270 WeakPolarHBondContact O-CG1 3.47Å; H266-I270 PolarHBondContact O-N 3.28Å |
| 267 | D | 89.5 | Confident | 91.4 | Very high | 82 Ų | 82 | 70.5 Ų | 70.5 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 179 | -72.7 | -21.5 | 0 | 0 | 0 | 111.6 | P263 F269 I270 E271 | P263-D267 PolarHBondContact O-N 2.86Å; D267-F269 VanDerWaalsContact C-N 3.3Å; D267-F269 PolarHBondContact O-N 2.85Å; D267-I270 PolarHBondContact O-N 3.41Å; D267-E271 WeakPolarHBondContact O-CB 3.39Å; D267-E271 WeakPolarHBondContact O-CG 3.39Å; D267-E271 PolarHBondContact O-N 2.8Å |
| 268 | K | 93.2 | Very high | 91.7 | Very high | 131 Ų | 131 | 70.2 Ų | 70.2 | 57% | 0.57 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.4 | -41.3 | 174.3 | -78.6 | 174.5 | -178.1 | 175.2 | 0 | 112.3 | V264 H266 S272 | V264-K268 HydrophobicContact CG1-CD 4.17Å; V264-K268 WeakPolarHBondContact O-CB 3.11Å; V264-K268 VanDerWaalsContact O-CG 3.23Å; V264-K268 WeakPolarHBondContact O-CG 3.4Å; V264-K268 PolarHBondContact O-N 3.37Å; H266-K268 VanDerWaalsContact C-N 3.35Å; H266-K268 PolarHBondContact O-N 3.48Å; K268-S272 VanDerWaalsContact O-CB 3.27Å; K268-S272 WeakPolarHBondContact O-CB 3.44Å; K268-S272 PolarHBondContact O-N 3.25Å; K268-S272 PolarHBondContact O-OG 2.79Å |
| 269 | F | 92.4 | Very high | 92.3 | Very high | 89 Ų | 89 | 74.4 Ų | 74.4 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 178.3 | 175.2 | -93.9 | 0 | 0 | 0 | 111.3 | L250 M254 E265 H266 D267 S272 H273 | L250-F269 HydrophobicContact CD2-CE1 4.04Å; M254-F269 HydrophobicContact CE-CD1 3.81Å; M254-F269 HydrophobicContact CE-CE1 3.6Å; M254-F269 HydrophobicContact CE-CZ 4.17Å; M254-F269 HydrophobicContact CG-CD1 4.25Å; M254-F269 HydrophobicContact CG-CE1 3.73Å; M254-F269 HydrophobicContact SD-CE1 3.83Å; M254-F269 HydrophobicContact SD-CZ 4.37Å; E265-F269 WeakPolarHBondContact O-CB 3.44Å; E265-F269 PolarHBondContact O-N 2.77Å; H266-F269 WeakPolarHBondContact O-CB 3.48Å; H266-F269 PolarHBondContact O-N 3.44Å; H266-F269 VanDerWaalsContact O-N 3.12Å; D267-F269 VanDerWaalsContact C-N 3.3Å; D267-F269 PolarHBondContact O-N 2.85Å; F269-S272 PolarHBondContact O-N 2.84Å; F269-H273 PolarHBondContact O-N 2.98Å |
| 270 | I | 91.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.8 | -49.5 | 177.8 | -63.6 | -58.4 | 0 | 0 | 0 | 111.1 | Y243 Y251 M254 H266 D267 S272 H273 A274 | Y243-I270 HydrophobicContact CE2-CG2 4.38Å; Y251-I270 HydrophobicContact CD2-CB 4.17Å; Y251-I270 HydrophobicContact CD2-CD1 3.97Å; Y251-I270 HydrophobicContact CD2-CG1 3.76Å; Y251-I270 HydrophobicContact CD2-CG2 3.41Å; Y251-I270 VanDerWaalsContact CD2-CG2 3.41Å; Y251-I270 HydrophobicContact CE2-CB 4.15Å; Y251-I270 HydrophobicContact CE2-CD1 4.42Å; Y251-I270 HydrophobicContact CE2-CG1 3.76Å; Y251-I270 HydrophobicContact CE2-CG2 3.68Å; Y251-I270 HydrophobicContact CG-CD1 4.16Å; Y251-I270 HydrophobicContact CG-CG1 4.38Å; Y251-I270 HydrophobicContact CG-CG2 4.5Å; M254-I270 HydrophobicContact CB-CD1 4.11Å; M254-I270 HydrophobicContact CG-CD1 4.26Å; H266-I270 WeakPolarHBondContact O-CG1 3.47Å; H266-I270 PolarHBondContact O-N 3.28Å; D267-I270 PolarHBondContact O-N 3.41Å; I270-S272 VanDerWaalsContact C-N 3.31Å; I270-S272 PolarHBondContact O-N 2.65Å; I270-H273 PolarHBondContact O-N 2.96Å; I270-A274 PolarHBondContact O-N 2.81Å |
| 271 | E | 93.7 | Very high | 93 | Very high | 95 Ų | 95 | 74.5 Ų | 74.5 | 44% | 0.444 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 179.2 | -73.3 | -63.4 | 158.4 | 0 | 0 | 111.9 | Y243 D267 H273 A274 L275 | Y243-E271 PolarHBondContact OH-OE1 2.94Å; D267-E271 WeakPolarHBondContact O-CB 3.39Å; D267-E271 WeakPolarHBondContact O-CG 3.39Å; D267-E271 PolarHBondContact O-N 2.8Å; E271-H273 VanDerWaalsContact C-N 3.31Å; E271-H273 PolarHBondContact O-N 3.2Å; E271-A274 PolarHBondContact O-N 3.08Å; E271-L275 WeakPolarHBondContact O-CB 3.44Å; E271-L275 PolarHBondContact O-N 3.32Å |
| 272 | S | 94.9 | Very high | 93.4 | Very high | 76 Ų | 76 | 74.4 Ų | 74.4 | 53% | 0.531 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62 | -41 | 176.4 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | K268 F269 I270 E276 | K268-S272 VanDerWaalsContact O-CB 3.27Å; K268-S272 WeakPolarHBondContact O-CB 3.44Å; K268-S272 PolarHBondContact O-N 3.25Å; K268-S272 PolarHBondContact O-OG 2.79Å; F269-S272 PolarHBondContact O-N 2.84Å; I270-S272 VanDerWaalsContact C-N 3.31Å; I270-S272 PolarHBondContact O-N 2.65Å; S272-E276 WeakPolarHBondContact O-CB 3.46Å; S272-E276 PolarHBondContact O-N 2.78Å |
| 273 | H | 93.9 | Very high | 93.7 | Very high | 60 Ų | 60 | 77.6 Ų | 77.6 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -73.4 | -34.8 | 177.8 | -164.8 | 71.2 | 0 | 0 | 0 | 112.8 | L250 F269 I270 E271 L275 E276 F277 | L250-H273 HydrophobicContact CD2-CB 3.77Å; L250-H273 WeakPolarHBondContact CD2-CD2 3.38Å; F269-H273 PolarHBondContact O-N 2.98Å; I270-H273 PolarHBondContact O-N 2.96Å; E271-H273 VanDerWaalsContact C-N 3.31Å; E271-H273 PolarHBondContact O-N 3.2Å; H273-L275 VanDerWaalsContact C-N 3.34Å; H273-E276 IonicContact CE1-OE2 2.55Å; H273-E276 IonicContact ND1-OE2 3.01Å; H273-E276 PolarHBondContact ND1-OE2 3.06Å; H273-E276 VanDerWaalsContact ND1-OE2 3.14Å; H273-E276 PolarHBondContact O-N 3.13Å; H273-F277 WeakPolarHBondContact O-CB 3.2Å; H273-F277 PolarHBondContact O-N 3.21Å |
| 274 | A | 94.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 81.9 Ų | 81.9 | 5% | 0.05 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y243 V247 I270 E271 F277 E278 | Y243-A274 HydrophobicContact CD1-CB 3.91Å; Y243-A274 HydrophobicContact CE1-CB 4.09Å; V247-A274 HydrophobicContact CG1-CB 3.94Å; V247-A274 HydrophobicContact CG2-CB 4.43Å; I270-A274 PolarHBondContact O-N 2.81Å; E271-A274 PolarHBondContact O-N 3.08Å; A274-F277 WeakPolarHBondContact O-CB 3.48Å; A274-F277 PolarHBondContact O-N 3.38Å; A274-E278 WeakPolarHBondContact O-CG 3.45Å; A274-E278 PolarHBondContact O-N 2.94Å |
| 275 | L | 95.6 | Very high | 94.2 | Very high | 99 Ų | 99 | 83 Ų | 83 | 52% | 0.518 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 175.1 | 179.2 | 62.4 | 0 | 0 | 0 | 111.8 | E271 H273 F277 E278 L279 | E271-L275 WeakPolarHBondContact O-CB 3.44Å; E271-L275 PolarHBondContact O-N 3.32Å; H273-L275 VanDerWaalsContact C-N 3.34Å; L275-F277 VanDerWaalsContact C-N 3.31Å; L275-F277 PolarHBondContact O-N 3.03Å; L275-E278 PolarHBondContact O-N 2.67Å; L275-L279 HydrophobicContact CD1-CD1 4.28Å; L275-L279 HydrophobicContact CD1-CG 4.26Å; L275-L279 HydrophobicContact CG-CD1 4.04Å; L275-L279 HydrophobicContact CG-CG 4.45Å; L275-L279 WeakPolarHBondContact O-CB 3.39Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.33Å; L275-L279 PolarHBondContact O-N 3.1Å |
| 276 | E | 95.8 | Very high | 94.3 | Very high | 72 Ų | 72 | 81 Ų | 81 | 34% | 0.336 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 175.8 | -174.3 | -168.4 | 179.4 | 0 | 0 | 111.6 | S272 H273 L279 R280 | S272-E276 WeakPolarHBondContact O-CB 3.46Å; S272-E276 PolarHBondContact O-N 2.78Å; H273-E276 IonicContact CE1-OE2 2.55Å; H273-E276 IonicContact ND1-OE2 3.01Å; H273-E276 PolarHBondContact ND1-OE2 3.06Å; H273-E276 VanDerWaalsContact ND1-OE2 3.14Å; H273-E276 PolarHBondContact O-N 3.13Å; E276-L279 PolarHBondContact O-N 3.49Å; E276-R280 WeakPolarHBondContact O-CB 3.13Å; E276-R280 WeakPolarHBondContact O-CG 3.35Å; E276-R280 PolarHBondContact O-N 3.45Å; E276-R280 IonicContact OE1-CZ 2.71Å; E276-R280 IonicContact OE1-NE 3.49Å; E276-R280 PolarHBondContact OE1-NE 3.15Å; E276-R280 IonicContact OE1-NH2 3.48Å; E276-R280 PolarHBondContact OE1-NH2 3.19Å |
| 277 | F | 95.4 | Very high | 94.5 | Very high | 45 Ų | 45 | 86.8 Ų | 86.8 | 20% | 0.197 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.9 | -47 | 177.5 | 175.4 | -92.3 | 0 | 0 | 0 | 111.6 | P244 E246 V247 H273 A274 L275 L279 R280 R281 | P244-F277 HydrophobicContact CB-CD1 4.17Å; P244-F277 HydrophobicContact CB-CE1 3.57Å; P244-F277 HydrophobicContact CB-CZ 4.1Å; P244-F277 HydrophobicContact CG-CD1 3.88Å; P244-F277 HydrophobicContact CG-CE1 3.63Å; E246-F277 HydrophobicContact CB-CD2 4.21Å; E246-F277 HydrophobicContact CB-CE2 3.72Å; E246-F277 HydrophobicContact CB-CZ 4.26Å; E246-F277 HydrophobicContact CG-CE2 3.77Å; E246-F277 HydrophobicContact CG-CZ 4.19Å; E246-F277 WeakPolarHBondContact OE2-CZ 3.47Å; V247-F277 HydrophobicContact CG2-CB 4Å; V247-F277 HydrophobicContact CG2-CD1 4.22Å; V247-F277 HydrophobicContact CG2-CG 4.02Å; H273-F277 WeakPolarHBondContact O-CB 3.2Å; H273-F277 PolarHBondContact O-N 3.21Å; A274-F277 WeakPolarHBondContact O-CB 3.48Å; A274-F277 PolarHBondContact O-N 3.38Å; L275-F277 VanDerWaalsContact C-N 3.31Å; L275-F277 PolarHBondContact O-N 3.03Å; F277-L279 PolarHBondContact O-N 2.84Å; F277-R280 PolarHBondContact O-N 3.28Å; F277-R281 WeakPolarHBondContact O-CB 3.37Å; F277-R281 PolarHBondContact O-N 3.38Å |
| 278 | E | 95.4 | Very high | 94.8 | Very high | 96 Ų | 96 | 86 Ų | 86 | 45% | 0.449 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 177.2 | -72.9 | -175.3 | 174.1 | 0 | 0 | 112.2 | A274 L275 R281 E282 | A274-E278 WeakPolarHBondContact O-CG 3.45Å; A274-E278 PolarHBondContact O-N 2.94Å; L275-E278 PolarHBondContact O-N 2.67Å; E278-R281 WeakPolarHBondContact O-CB 3.25Å; E278-R281 PolarHBondContact O-N 2.94Å; E278-E282 WeakPolarHBondContact O-CB 3.22Å; E278-E282 PolarHBondContact O-N 2.92Å |
| 279 | L | 96.9 | Very high | 94.8 | Very high | 97 Ų | 97 | 80.3 Ų | 80.3 | 51% | 0.508 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 177.2 | -71.5 | 173.4 | 0 | 0 | 0 | 111.7 | L275 E276 F277 R281 E282 I283 | L275-L279 HydrophobicContact CD1-CD1 4.28Å; L275-L279 HydrophobicContact CD1-CG 4.26Å; L275-L279 HydrophobicContact CG-CD1 4.04Å; L275-L279 HydrophobicContact CG-CG 4.45Å; L275-L279 WeakPolarHBondContact O-CB 3.39Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.33Å; L275-L279 PolarHBondContact O-N 3.1Å; E276-L279 PolarHBondContact O-N 3.49Å; F277-L279 PolarHBondContact O-N 2.84Å; L279-R281 VanDerWaalsContact C-N 3.32Å; L279-R281 PolarHBondContact O-N 3.37Å; L279-E282 PolarHBondContact O-N 3.24Å; L279-I283 WeakPolarHBondContact O-CB 3.15Å; L279-I283 WeakPolarHBondContact O-CD1 3.27Å; L279-I283 VanDerWaalsContact O-CG1 3.22Å; L279-I283 WeakPolarHBondContact O-CG1 3.35Å; L279-I283 PolarHBondContact O-N 2.74Å |
| 280 | R | 96.4 | Very high | 94.8 | Very high | 164 Ų | 164 | 85.9 Ų | 85.9 | 62% | 0.619 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.3 | -41.4 | 175.9 | -74.8 | 178.7 | 179 | -150.4 | 1.4 | 111.5 | E276 F277 K284 | E276-R280 WeakPolarHBondContact O-CB 3.13Å; E276-R280 WeakPolarHBondContact O-CG 3.35Å; E276-R280 PolarHBondContact O-N 3.45Å; E276-R280 IonicContact OE1-CZ 2.71Å; E276-R280 IonicContact OE1-NE 3.49Å; E276-R280 PolarHBondContact OE1-NE 3.15Å; E276-R280 IonicContact OE1-NH2 3.48Å; E276-R280 PolarHBondContact OE1-NH2 3.19Å; F277-R280 PolarHBondContact O-N 3.28Å; R280-K284 WeakPolarHBondContact O-CB 3.25Å; R280-K284 PolarHBondContact O-N 3.48Å |
| 281 | R | 94.8 | Very high | 95 | Very high | 147 Ų | 147 | 90.2 Ų | 90.2 | 56% | 0.555 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.4 | -44.3 | 175.7 | -171.1 | -177.5 | 72.9 | -177.1 | -1.3 | 111.2 | F277 E278 L279 K284 R285 | F277-R281 WeakPolarHBondContact O-CB 3.37Å; F277-R281 PolarHBondContact O-N 3.38Å; E278-R281 WeakPolarHBondContact O-CB 3.25Å; E278-R281 PolarHBondContact O-N 2.94Å; L279-R281 VanDerWaalsContact C-N 3.32Å; L279-R281 PolarHBondContact O-N 3.37Å; R281-K284 PolarHBondContact O-N 3.02Å; R281-R285 WeakPolarHBondContact O-CB 3.04Å; R281-R285 PolarHBondContact O-N 2.92Å |
| 282 | E | 95.1 | Very high | 94.9 | Very high | 57 Ų | 57 | 88.1 Ų | 88.1 | 27% | 0.266 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 179.2 | -173.6 | 56.5 | -152.6 | 0 | 0 | 112.1 | E278 L279 K284 R285 L286 | E278-E282 WeakPolarHBondContact O-CB 3.22Å; E278-E282 PolarHBondContact O-N 2.92Å; L279-E282 PolarHBondContact O-N 3.24Å; E282-K284 VanDerWaalsContact C-N 3.3Å; E282-K284 PolarHBondContact O-N 3.41Å; E282-R285 WeakPolarHBondContact O-CB 3.26Å; E282-R285 PolarHBondContact O-N 3.49Å; E282-R285 VanDerWaalsContact O-N 3.15Å; E282-R285 IonicContact OE1-CZ 3.35Å; E282-R285 IonicContact OE1-NE 3.23Å; E282-R285 PolarHBondContact OE1-NE 2.91Å; E282-R285 IonicContact OE1-NH2 2.7Å; E282-R285 PolarHBondContact OE1-NH2 3.16Å; E282-R285 IonicContact OE2-CZ 3.05Å; E282-R285 IonicContact OE2-NE 2.99Å; E282-R285 PolarHBondContact OE2-NE 3.25Å; E282-R285 IonicContact OE2-NH2 2.86Å; E282-R285 PolarHBondContact OE2-NH2 3.35Å; E282-L286 HydrophobicContact CG-CD1 4.25Å; E282-L286 WeakPolarHBondContact O-CG 3.46Å; E282-L286 PolarHBondContact O-N 2.88Å |
| 283 | I | 96.6 | Very high | 94.9 | Very high | 92 Ų | 92 | 87.3 Ų | 87.3 | 47% | 0.472 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -57 | -47 | 175.2 | -71.3 | 164.6 | 0 | 0 | 0 | 110.3 | L279 R285 L286 Q287 | L279-I283 WeakPolarHBondContact O-CB 3.15Å; L279-I283 WeakPolarHBondContact O-CD1 3.27Å; L279-I283 VanDerWaalsContact O-CG1 3.22Å; L279-I283 WeakPolarHBondContact O-CG1 3.35Å; L279-I283 PolarHBondContact O-N 2.74Å; I283-R285 VanDerWaalsContact C-N 3.34Å; I283-R285 PolarHBondContact O-N 3.42Å; I283-L286 PolarHBondContact O-N 2.96Å; I283-Q287 HydrophobicContact CG2-CG 4.4Å; I283-Q287 WeakPolarHBondContact O-CB 3.41Å; I283-Q287 VanDerWaalsContact O-CG 3.26Å; I283-Q287 WeakPolarHBondContact O-CG 3.49Å; I283-Q287 PolarHBondContact O-N 3.01Å |
| 284 | K | 96.2 | Very high | 94.9 | Very high | 128 Ų | 128 | 85.6 Ų | 85.6 | 56% | 0.557 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.3 | -43.1 | 177.5 | -172 | 178.6 | 177.9 | -178 | 0 | 111.6 | R280 R281 E282 L286 Q287 E288 | R280-K284 WeakPolarHBondContact O-CB 3.25Å; R280-K284 PolarHBondContact O-N 3.48Å; R281-K284 PolarHBondContact O-N 3.02Å; E282-K284 VanDerWaalsContact C-N 3.3Å; E282-K284 PolarHBondContact O-N 3.41Å; K284-L286 PolarHBondContact O-N 3.13Å; K284-Q287 PolarHBondContact O-N 3.3Å; K284-E288 WeakPolarHBondContact O-CG 3.45Å; K284-E288 PolarHBondContact O-N 2.95Å |
| 285 | R | 93.4 | Very high | 94.7 | Very high | 101 Ų | 101 | 92.4 Ų | 92.4 | 38% | 0.381 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 175.9 | -173.6 | 177.6 | 75.3 | 160.9 | 0.9 | 111.9 | R281 E282 I283 Q287 E288 Y289 | R281-R285 WeakPolarHBondContact O-CB 3.04Å; R281-R285 PolarHBondContact O-N 2.92Å; E282-R285 WeakPolarHBondContact O-CB 3.26Å; E282-R285 PolarHBondContact O-N 3.49Å; E282-R285 VanDerWaalsContact O-N 3.15Å; E282-R285 IonicContact OE1-CZ 3.35Å; E282-R285 IonicContact OE1-NE 3.23Å; E282-R285 PolarHBondContact OE1-NE 2.91Å; E282-R285 IonicContact OE1-NH2 2.7Å; E282-R285 PolarHBondContact OE1-NH2 3.16Å; E282-R285 IonicContact OE2-CZ 3.05Å; E282-R285 IonicContact OE2-NE 2.99Å; E282-R285 PolarHBondContact OE2-NE 3.25Å; E282-R285 IonicContact OE2-NH2 2.86Å; E282-R285 PolarHBondContact OE2-NH2 3.35Å; I283-R285 VanDerWaalsContact C-N 3.34Å; I283-R285 PolarHBondContact O-N 3.42Å; R285-Q287 PolarHBondContact O-N 3.14Å; R285-E288 WeakPolarHBondContact O-CB 3.46Å; R285-E288 PolarHBondContact O-N 3.24Å; R285-Y289 WeakPolarHBondContact CD-OH 3.25Å; R285-Y289 HydrophobicContact CG-CE1 4.2Å; R285-Y289 HydrophobicContact CG-CE2 3.86Å; R285-Y289 PolarHBondContact O-N 2.96Å |
| 286 | L | 94.2 | Very high | 94.4 | Very high | 61 Ų | 61 | 92.2 Ų | 92.2 | 32% | 0.319 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.2 | -37 | 178 | -66.1 | 174.1 | 0 | 0 | 0 | 112.4 | E282 I283 K284 Y289 R290 F297 | E282-L286 HydrophobicContact CG-CD1 4.25Å; E282-L286 WeakPolarHBondContact O-CG 3.46Å; E282-L286 PolarHBondContact O-N 2.88Å; I283-L286 PolarHBondContact O-N 2.96Å; K284-L286 PolarHBondContact O-N 3.13Å; L286-Y289 HydrophobicContact CD2-CD2 4.14Å; L286-Y289 HydrophobicContact CD2-CE2 4.45Å; L286-Y289 PolarHBondContact O-N 2.95Å; L286-R290 PolarHBondContact O-N 2.61Å; L286-R290 VanDerWaalsContact O-N 3.11Å; L286-F297 HydrophobicContact CD2-CE1 3.96Å; L286-F297 HydrophobicContact CD2-CZ 4.24Å |
| 287 | Q | 95.4 | Very high | 94 | Very high | 123 Ų | 123 | 95.3 Ų | 95.3 | 58% | 0.575 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 173.3 | -73.7 | 172.2 | -10.9 | 0 | 0 | 111.7 | I283 K284 R285 R290 A291 | I283-Q287 HydrophobicContact CG2-CG 4.4Å; I283-Q287 WeakPolarHBondContact O-CB 3.41Å; I283-Q287 VanDerWaalsContact O-CG 3.26Å; I283-Q287 WeakPolarHBondContact O-CG 3.49Å; I283-Q287 PolarHBondContact O-N 3.01Å; K284-Q287 PolarHBondContact O-N 3.3Å; R285-Q287 PolarHBondContact O-N 3.14Å; Q287-R290 PolarHBondContact O-N 3.47Å; Q287-A291 WeakPolarHBondContact O-CB 3.34Å; Q287-A291 PolarHBondContact O-N 3.1Å |
| 288 | E | 94.4 | Very high | 93.7 | Very high | 65 Ų | 65 | 97.4 Ų | 97.4 | 30% | 0.304 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 174.7 | -73.9 | 177.4 | -166.4 | 0 | 0 | 112.1 | K284 R285 R290 A291 A292 K307 | K284-E288 WeakPolarHBondContact O-CG 3.45Å; K284-E288 PolarHBondContact O-N 2.95Å; R285-E288 WeakPolarHBondContact O-CB 3.46Å; R285-E288 PolarHBondContact O-N 3.24Å; E288-R290 PolarHBondContact O-N 2.95Å; E288-A291 PolarHBondContact O-N 3.32Å; E288-A292 WeakPolarHBondContact O-CB 3.49Å; E288-A292 PolarHBondContact O-N 2.91Å; E288-K307 IonicContact OE2-NZ 2.8Å; E288-K307 PolarHBondContact OE2-NZ 2.99Å |
| 289 | Y | 94.2 | Very high | 93.4 | Very high | 12 Ų | 12 | 96.2 Ų | 96.2 | 5% | 0.047 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 174.1 | -66.6 | -21.3 | 0 | 0 | 0 | 112 | R285 L286 A291 A292 G293 I294 A300 Y303 D304 | R285-Y289 WeakPolarHBondContact CD-OH 3.25Å; R285-Y289 HydrophobicContact CG-CE1 4.2Å; R285-Y289 HydrophobicContact CG-CE2 3.86Å; R285-Y289 PolarHBondContact O-N 2.96Å; L286-Y289 HydrophobicContact CD2-CD2 4.14Å; L286-Y289 HydrophobicContact CD2-CE2 4.45Å; L286-Y289 PolarHBondContact O-N 2.95Å; Y289-A291 VanDerWaalsContact C-N 3.35Å; Y289-A291 PolarHBondContact O-N 2.88Å; Y289-A292 CarbonylContact O-C 3.52Å; Y289-A292 PolarHBondContact O-N 2.97Å; Y289-G293 PolarHBondContact O-N 3.47Å; Y289-I294 HydrophobicContact CD1-CD1 4.04Å; Y289-I294 WeakPolarHBondContact O-CB 3.22Å; Y289-I294 PolarHBondContact O-N 3.12Å; Y289-A300 HydrophobicContact CD2-CB 4.03Å; Y289-A300 HydrophobicContact CE1-CB 4.21Å; Y289-A300 HydrophobicContact CE2-CB 3.7Å; Y289-A300 HydrophobicContact CG-CB 4.43Å; Y289-Y303 AromaticContact CD1-CD1 3.84Å; Y289-Y303 HydrophobicContact CD1-CD1 3.84Å; Y289-Y303 AromaticContact CD1-CE1 3.95Å; Y289-Y303 HydrophobicContact CD1-CE1 3.95Å; Y289-Y303 AromaticContact CE1-CD1 3.65Å; Y289-Y303 HydrophobicContact CE1-CD1 3.65Å; Y289-Y303 AromaticContact CE1-CE1 3.94Å; Y289-Y303 HydrophobicContact CE1-CE1 3.94Å; Y289-D304 VanDerWaalsContact CE1-OD1 3.23Å; Y289-D304 WeakPolarHBondContact CE1-OD1 3.26Å; Y289-D304 PolarHBondContact OH-OD1 3.39Å; Y289-D304 PolarHBondContact OH-OD2 3.01Å |
| 290 | R | 92.9 | Very high | 93.2 | Very high | 206 Ų | 206 | 91.8 Ų | 91.8 | 78% | 0.777 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 176.8 | -72.5 | -174.6 | 176.7 | 179.2 | 0.7 | 112.1 | L286 Q287 E288 A292 G293 | L286-R290 PolarHBondContact O-N 2.61Å; L286-R290 VanDerWaalsContact O-N 3.11Å; Q287-R290 PolarHBondContact O-N 3.47Å; E288-R290 PolarHBondContact O-N 2.95Å; R290-A292 VanDerWaalsContact C-N 3.26Å; R290-A292 PolarHBondContact O-N 3.17Å; R290-G293 PolarHBondContact O-N 3.47Å |
| 291 | A | 94.5 | Very high | 92.8 | Very high | 93 Ų | 93 | 93.5 Ų | 93.5 | 77% | 0.769 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.1 | -32 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q287 E288 Y289 G293 | Q287-A291 WeakPolarHBondContact O-CB 3.34Å; Q287-A291 PolarHBondContact O-N 3.1Å; E288-A291 PolarHBondContact O-N 3.32Å; Y289-A291 VanDerWaalsContact C-N 3.35Å; Y289-A291 PolarHBondContact O-N 2.88Å; A291-G293 PolarHBondContact O-N 2.83Å |
| 292 | A | 92.7 | Very high | 92.6 | Very high | 51 Ų | 51 | 90.6 Ų | 90.6 | 42% | 0.421 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 1.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E288 Y289 R290 I294 Y303 | E288-A292 WeakPolarHBondContact O-CB 3.49Å; E288-A292 PolarHBondContact O-N 2.91Å; Y289-A292 CarbonylContact O-C 3.52Å; Y289-A292 PolarHBondContact O-N 2.97Å; R290-A292 VanDerWaalsContact C-N 3.26Å; R290-A292 PolarHBondContact O-N 3.17Å; A292-I294 HydrophobicContact CB-CD1 4.12Å; A292-I294 HydrophobicContact CB-CG1 4.32Å; A292-Y303 HydrophobicContact CB-CD2 4.47Å; A292-Y303 HydrophobicContact CB-CE2 3.79Å |
| 293 | G | 93.7 | Very high | 92.5 | Very high | 58 Ų | 58 | 90.5 Ų | 90.5 | 60% | 0.598 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 14.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y289 R290 A291 | Y289-G293 PolarHBondContact O-N 3.47Å; R290-G293 PolarHBondContact O-N 3.47Å; A291-G293 PolarHBondContact O-N 2.83Å |
| 294 | I | 93.9 | Very high | 92.3 | Very high | 25 Ų | 25 | 89 Ų | 89 | 13% | 0.128 | 47% | 0.468 | C | S | . | . | trans | -85.2 | 121.9 | -179.5 | -59.7 | 165.6 | 0 | 0 | 0 | 109.7 | Y289 A292 N296 C299 A300 Y303 | Y289-I294 HydrophobicContact CD1-CD1 4.04Å; Y289-I294 WeakPolarHBondContact O-CB 3.22Å; Y289-I294 PolarHBondContact O-N 3.12Å; A292-I294 HydrophobicContact CB-CD1 4.12Å; A292-I294 HydrophobicContact CB-CG1 4.32Å; I294-N296 WeakPolarHBondContact CG2-O 3.32Å; I294-C299 HydrophobicContact CG2-CB 4.03Å; I294-A300 HydrophobicContact CG2-CB 4.22Å; I294-Y303 HydrophobicContact CD1-CD1 3.77Å; I294-Y303 HydrophobicContact CD1-CD2 3.54Å; I294-Y303 HydrophobicContact CD1-CE1 4.41Å; I294-Y303 HydrophobicContact CD1-CE2 4.19Å; I294-Y303 HydrophobicContact CD1-CG 3.28Å | ||
| 295 | T | 90.5 | Very high | 92.1 | Very high | 148 Ų | 148 | 88.8 Ų | 88.8 | 91% | 0.908 | 47% | 0.469 | S | S | * | . | trans | -112.2 | -10.8 | -178 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 296 | N | 89.9 | Confident | 92 | Very high | 95 Ų | 95 | 89.1 Ų | 89.1 | 51% | 0.508 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -131.8 | 140.6 | -178.7 | -171 | 0.1 | 0 | 0 | 0 | 111.7 | I294 C298 C299 A300 | I294-N296 WeakPolarHBondContact CG2-O 3.32Å; N296-C298 VanDerWaalsContact C-N 3.28Å; N296-C298 PolarHBondContact O-N 3.23Å; N296-C299 WeakPolarHBondContact O-CB 3.2Å; N296-C299 PolarHBondContact O-N 3.19Å; N296-C299 VanDerWaalsContact O-N 3.16Å; N296-A300 PolarHBondContact O-N 3.25Å |
| 297 | F | 88.4 | Confident | 92 | Very high | 138 Ų | 138 | 88.7 Ų | 88.7 | 61% | 0.605 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.1 | -28 | -179.2 | -73.9 | -71.9 | 0 | 0 | 0 | 114.2 | L286 C299 A300 R301 | L286-F297 HydrophobicContact CD2-CE1 3.96Å; L286-F297 HydrophobicContact CD2-CZ 4.24Å; F297-C299 VanDerWaalsContact C-N 3.28Å; F297-C299 PolarHBondContact O-N 3.19Å; F297-A300 WeakPolarHBondContact O-CB 3.45Å; F297-A300 PolarHBondContact O-N 3.41Å; F297-R301 PolarHBondContact O-N 3.4Å |
| 298 | C | 87.9 | Confident | 91.8 | Very high | 89 Ų | 89 | 89 Ų | 89 | 60% | 0.601 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.4 | -43.3 | 174.8 | -171 | 0 | 0 | 0 | 0 | 111 | N296 | N296-C298 VanDerWaalsContact C-N 3.28Å; N296-C298 PolarHBondContact O-N 3.23Å |
| 299 | C | 89.3 | Confident | 91.7 | Very high | 70 Ų | 70 | 88.6 Ų | 88.6 | 47% | 0.473 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.1 | -30.9 | 176.8 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | I294 N296 F297 R301 T302 Y303 | I294-C299 HydrophobicContact CG2-CB 4.03Å; N296-C299 WeakPolarHBondContact O-CB 3.2Å; N296-C299 PolarHBondContact O-N 3.19Å; N296-C299 VanDerWaalsContact O-N 3.16Å; F297-C299 VanDerWaalsContact C-N 3.28Å; F297-C299 PolarHBondContact O-N 3.19Å; C299-R301 VanDerWaalsContact C-N 3.32Å; C299-R301 PolarHBondContact O-N 3.33Å; C299-T302 PolarHBondContact O-N 2.89Å; C299-Y303 PolarHBondContact O-N 2.58Å |
| 300 | A | 92 | Very high | 91.5 | Very high | 4 Ų | 4 | 94.1 Ų | 94.1 | 3% | 0.033 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y289 I294 N296 F297 T302 Y303 D304 | Y289-A300 HydrophobicContact CD2-CB 4.03Å; Y289-A300 HydrophobicContact CE1-CB 4.21Å; Y289-A300 HydrophobicContact CE2-CB 3.7Å; Y289-A300 HydrophobicContact CG-CB 4.43Å; I294-A300 HydrophobicContact CG2-CB 4.22Å; N296-A300 PolarHBondContact O-N 3.25Å; F297-A300 WeakPolarHBondContact O-CB 3.45Å; F297-A300 PolarHBondContact O-N 3.41Å; A300-T302 PolarHBondContact O-N 3.18Å; A300-Y303 WeakPolarHBondContact O-CB 3.38Å; A300-Y303 PolarHBondContact O-N 2.92Å; A300-D304 PolarHBondContact O-N 3.19Å |
| 301 | R | 88.9 | Confident | 91.4 | Very high | 200 Ų | 200 | 87.7 Ų | 87.7 | 76% | 0.755 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.5 | -46.4 | 176.2 | -74.5 | -177.7 | 60.2 | -163.8 | -4 | 112.6 | F297 C299 Y303 D304 H305 | F297-R301 PolarHBondContact O-N 3.4Å; C299-R301 VanDerWaalsContact C-N 3.32Å; C299-R301 PolarHBondContact O-N 3.33Å; R301-Y303 VanDerWaalsContact C-N 3.35Å; R301-D304 PolarHBondContact O-N 3.02Å; R301-H305 PolarHBondContact O-N 2.97Å; R301-H305 VanDerWaalsContact O-N 3.11Å |
| 302 | T | 90.5 | Very high | 91.1 | Very high | 86 Ų | 86 | 87.4 Ų | 87.4 | 53% | 0.528 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 178 | -52.4 | 0 | 0 | 0 | 0 | 110.8 | C299 A300 H305 L306 | C299-T302 PolarHBondContact O-N 2.89Å; A300-T302 PolarHBondContact O-N 3.18Å; T302-H305 PolarHBondContact O-N 3.3Å; T302-L306 HydrophobicContact CG2-CD1 4.03Å; T302-L306 HydrophobicContact CG2-CG 4.44Å; T302-L306 WeakPolarHBondContact O-CB 3.3Å; T302-L306 VanDerWaalsContact O-CG 3.31Å; T302-L306 WeakPolarHBondContact O-CG 3.38Å; T302-L306 PolarHBondContact O-N 2.73Å |
| 303 | Y | 93.3 | Very high | 90.8 | Very high | 56 Ų | 56 | 88.6 Ų | 88.6 | 22% | 0.22 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 175 | 172.8 | -94.3 | 0 | 0 | 0 | 112.4 | Y289 A292 I294 C299 A300 R301 H305 L306 K307 | Y289-Y303 AromaticContact CD1-CD1 3.84Å; Y289-Y303 HydrophobicContact CD1-CD1 3.84Å; Y289-Y303 AromaticContact CD1-CE1 3.95Å; Y289-Y303 HydrophobicContact CD1-CE1 3.95Å; Y289-Y303 AromaticContact CE1-CD1 3.65Å; Y289-Y303 HydrophobicContact CE1-CD1 3.65Å; Y289-Y303 AromaticContact CE1-CE1 3.94Å; Y289-Y303 HydrophobicContact CE1-CE1 3.94Å; A292-Y303 HydrophobicContact CB-CD2 4.47Å; A292-Y303 HydrophobicContact CB-CE2 3.79Å; I294-Y303 HydrophobicContact CD1-CD1 3.77Å; I294-Y303 HydrophobicContact CD1-CD2 3.54Å; I294-Y303 HydrophobicContact CD1-CE1 4.41Å; I294-Y303 HydrophobicContact CD1-CE2 4.19Å; I294-Y303 HydrophobicContact CD1-CG 3.28Å; C299-Y303 PolarHBondContact O-N 2.58Å; A300-Y303 WeakPolarHBondContact O-CB 3.38Å; A300-Y303 PolarHBondContact O-N 2.92Å; R301-Y303 VanDerWaalsContact C-N 3.35Å; Y303-H305 VanDerWaalsContact C-N 3.3Å; Y303-H305 PolarHBondContact O-N 2.94Å; Y303-L306 PolarHBondContact O-N 3.41Å; Y303-K307 HydrophobicContact CE1-CB 4.39Å; Y303-K307 HydrophobicContact CE1-CD 3.74Å; Y303-K307 WeakPolarHBondContact O-CB 3.41Å; Y303-K307 PolarHBondContact O-N 3.11Å |
| 304 | D | 92.4 | Very high | 90.4 | Very high | 59 Ų | 59 | 93.8 Ų | 93.8 | 32% | 0.316 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 177.9 | -74 | -17.8 | 0 | 0 | 0 | 111.3 | Y289 A300 R301 K307 K308 | Y289-D304 VanDerWaalsContact CE1-OD1 3.23Å; Y289-D304 WeakPolarHBondContact CE1-OD1 3.26Å; Y289-D304 PolarHBondContact OH-OD1 3.39Å; Y289-D304 PolarHBondContact OH-OD2 3.01Å; A300-D304 PolarHBondContact O-N 3.19Å; R301-D304 PolarHBondContact O-N 3.02Å; D304-K307 PolarHBondContact O-N 3.22Å; D304-K308 VanDerWaalsContact O-CB 3.28Å; D304-K308 WeakPolarHBondContact O-CB 3.4Å; D304-K308 PolarHBondContact O-N 3.21Å |
| 305 | H | 91.6 | Very high | 89.9 | Confident | 124 Ų | 124 | 98 Ų | 98 | 57% | 0.574 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.3 | -51.4 | 177.2 | -174.8 | 64.5 | 0 | 0 | 0 | 111.4 | R301 T302 Y303 K307 K308 T309 | R301-H305 PolarHBondContact O-N 2.97Å; R301-H305 VanDerWaalsContact O-N 3.11Å; T302-H305 PolarHBondContact O-N 3.3Å; Y303-H305 VanDerWaalsContact C-N 3.3Å; Y303-H305 PolarHBondContact O-N 2.94Å; H305-K307 VanDerWaalsContact C-N 3.35Å; H305-K307 PolarHBondContact O-N 2.89Å; H305-K308 PolarHBondContact O-N 3.41Å; H305-T309 PolarHBondContact O-N 2.94Å; H305-T309 PolarHBondContact O-OG1 3.2Å; H305-T309 VanDerWaalsContact O-OG1 3.08Å |
| 306 | L | 92.6 | Very high | 89.5 | Confident | 108 Ų | 108 | 96.6 Ų | 96.6 | 57% | 0.565 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.1 | -37.5 | 179.2 | -68.5 | 173.6 | 0 | 0 | 0 | 112.5 | T302 Y303 T309 R310 | T302-L306 HydrophobicContact CG2-CD1 4.03Å; T302-L306 HydrophobicContact CG2-CG 4.44Å; T302-L306 WeakPolarHBondContact O-CB 3.3Å; T302-L306 VanDerWaalsContact O-CG 3.31Å; T302-L306 WeakPolarHBondContact O-CG 3.38Å; T302-L306 PolarHBondContact O-N 2.73Å; Y303-L306 PolarHBondContact O-N 3.41Å; L306-T309 PolarHBondContact O-N 3.16Å; L306-R310 VanDerWaalsContact O-CB 3.29Å; L306-R310 WeakPolarHBondContact O-CB 3.48Å; L306-R310 PolarHBondContact O-N 2.91Å |
| 307 | K | 92.6 | Very high | 88.9 | Confident | 52 Ų | 52 | 100.7 Ų | 100.7 | 23% | 0.226 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 175.6 | -179.5 | 177.2 | 179.6 | -170.7 | 0 | 110.1 | E288 Y303 D304 H305 T309 R310 D311 | E288-K307 IonicContact OE2-NZ 2.8Å; E288-K307 PolarHBondContact OE2-NZ 2.99Å; Y303-K307 HydrophobicContact CE1-CB 4.39Å; Y303-K307 HydrophobicContact CE1-CD 3.74Å; Y303-K307 WeakPolarHBondContact O-CB 3.41Å; Y303-K307 PolarHBondContact O-N 3.11Å; D304-K307 PolarHBondContact O-N 3.22Å; H305-K307 VanDerWaalsContact C-N 3.35Å; H305-K307 PolarHBondContact O-N 2.89Å; K307-T309 PolarHBondContact O-N 3.46Å; K307-R310 PolarHBondContact O-N 2.96Å; K307-D311 WeakPolarHBondContact O-CB 3.43Å; K307-D311 PolarHBondContact O-N 3Å |
| 308 | K | 91.8 | Very high | 88.3 | Confident | 130 Ų | 130 | 97.6 Ų | 97.6 | 57% | 0.565 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58 | -49.5 | 176.1 | -174.8 | 178.2 | 176.6 | -177.7 | 0 | 111.4 | D304 H305 R310 D311 E312 | D304-K308 VanDerWaalsContact O-CB 3.28Å; D304-K308 WeakPolarHBondContact O-CB 3.4Å; D304-K308 PolarHBondContact O-N 3.21Å; H305-K308 PolarHBondContact O-N 3.41Å; K308-R310 VanDerWaalsContact C-N 3.32Å; K308-R310 PolarHBondContact O-N 2.9Å; K308-D311 PolarHBondContact O-N 3.32Å; K308-E312 WeakPolarHBondContact CE-OE1 3.48Å; K308-E312 WeakPolarHBondContact O-CB 3.36Å; K308-E312 WeakPolarHBondContact O-CG 3.32Å; K308-E312 PolarHBondContact O-N 3.22Å |
| 309 | T | 91.8 | Very high | 87.7 | Confident | 56 Ų | 56 | 95.8 Ų | 95.8 | 34% | 0.344 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 176.2 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | H305 L306 K307 D311 E312 E313 | H305-T309 PolarHBondContact O-N 2.94Å; H305-T309 PolarHBondContact O-OG1 3.2Å; H305-T309 VanDerWaalsContact O-OG1 3.08Å; L306-T309 PolarHBondContact O-N 3.16Å; K307-T309 PolarHBondContact O-N 3.46Å; T309-D311 VanDerWaalsContact C-N 3.35Å; T309-D311 PolarHBondContact O-N 3.31Å; T309-E312 PolarHBondContact O-N 3.43Å; T309-E313 WeakPolarHBondContact O-CB 3.26Å; T309-E313 VanDerWaalsContact O-CG 3.3Å; T309-E313 WeakPolarHBondContact O-CG 3.26Å; T309-E313 PolarHBondContact O-N 3.23Å |
| 310 | R | 91.4 | Very high | 87.1 | Confident | 129 Ų | 129 | 98 Ų | 98 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 177.6 | -179 | -178.2 | 62 | -178.2 | -6.2 | 112.3 | L306 K307 K308 R314 | L306-R310 VanDerWaalsContact O-CB 3.29Å; L306-R310 WeakPolarHBondContact O-CB 3.48Å; L306-R310 PolarHBondContact O-N 2.91Å; K307-R310 PolarHBondContact O-N 2.96Å; K308-R310 VanDerWaalsContact C-N 3.32Å; K308-R310 PolarHBondContact O-N 2.9Å; R310-R314 WeakPolarHBondContact O-CB 3.22Å; R310-R314 WeakPolarHBondContact O-CG 3.34Å; R310-R314 PolarHBondContact O-N 3.27Å |
| 311 | D | 89.1 | Confident | 86.4 | Confident | 70 Ų | 70 | 101.4 Ų | 101.4 | 37% | 0.374 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.4 | -39.8 | 179.8 | -66.7 | -16.4 | 0 | 0 | 0 | 110.7 | K307 K308 T309 R314 L315 | K307-D311 WeakPolarHBondContact O-CB 3.43Å; K307-D311 PolarHBondContact O-N 3Å; K308-D311 PolarHBondContact O-N 3.32Å; T309-D311 VanDerWaalsContact C-N 3.35Å; T309-D311 PolarHBondContact O-N 3.31Å; D311-R314 WeakPolarHBondContact O-CB 3.22Å; D311-R314 PolarHBondContact O-N 3.18Å; D311-L315 PolarHBondContact O-N 3.14Å |
| 312 | E | 88.3 | Confident | 85.8 | Confident | 87 Ų | 87 | 96.1 Ų | 96.1 | 41% | 0.407 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 171.2 | -73.8 | 170.8 | 180 | 0 | 0 | 111.7 | K308 T309 R314 L315 K316 | K308-E312 WeakPolarHBondContact CE-OE1 3.48Å; K308-E312 WeakPolarHBondContact O-CB 3.36Å; K308-E312 WeakPolarHBondContact O-CG 3.32Å; K308-E312 PolarHBondContact O-N 3.22Å; T309-E312 PolarHBondContact O-N 3.43Å; E312-R314 VanDerWaalsContact C-N 3.34Å; E312-R314 PolarHBondContact O-N 3.46Å; E312-L315 WeakPolarHBondContact O-CB 3.46Å; E312-L315 PolarHBondContact O-N 3.45Å; E312-K316 WeakPolarHBondContact O-CG 3.5Å; E312-K316 PolarHBondContact O-N 3.48Å |
| 313 | E | 87.2 | Confident | 85.2 | Confident | 77 Ų | 77 | 93.2 Ų | 93.2 | 36% | 0.36 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 176.2 | -73.8 | -60.9 | 125.5 | 0 | 0 | 112.2 | T309 L315 K316 R317 | T309-E313 WeakPolarHBondContact O-CB 3.26Å; T309-E313 VanDerWaalsContact O-CG 3.3Å; T309-E313 WeakPolarHBondContact O-CG 3.26Å; T309-E313 PolarHBondContact O-N 3.23Å; E313-L315 VanDerWaalsContact C-N 3.35Å; E313-K316 PolarHBondContact O-N 3.48Å; E313-K316 IonicContact OE1-NZ 2.84Å; E313-K316 PolarHBondContact OE1-NZ 3.09Å; E313-R317 VanDerWaalsContact O-CG 3.26Å; E313-R317 WeakPolarHBondContact O-CG 3.41Å; E313-R317 PolarHBondContact O-N 2.91Å |
| 314 | R | 85.9 | Confident | 84.5 | Confident | 166 Ų | 166 | 95.2 Ų | 95.2 | 63% | 0.626 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | 171.7 | -85.8 | -177.7 | 166.9 | -148.7 | -3 | 111.4 | R310 D311 E312 R317 T318 | R310-R314 WeakPolarHBondContact O-CB 3.22Å; R310-R314 WeakPolarHBondContact O-CG 3.34Å; R310-R314 PolarHBondContact O-N 3.27Å; D311-R314 WeakPolarHBondContact O-CB 3.22Å; D311-R314 PolarHBondContact O-N 3.18Å; E312-R314 VanDerWaalsContact C-N 3.34Å; E312-R314 PolarHBondContact O-N 3.46Å; R314-R317 PolarHBondContact O-N 2.87Å; R314-T318 PolarHBondContact O-N 2.92Å; R314-T318 PolarHBondContact O-OG1 2.78Å |
| 315 | L | 83.4 | Confident | 83.8 | Confident | 113 Ų | 113 | 99.6 Ų | 99.6 | 59% | 0.592 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61 | -46.8 | 177.7 | -150.7 | 84.4 | 0 | 0 | 0 | 110.8 | D311 E312 E313 R317 T318 M319 | D311-L315 PolarHBondContact O-N 3.14Å; E312-L315 WeakPolarHBondContact O-CB 3.46Å; E312-L315 PolarHBondContact O-N 3.45Å; E313-L315 VanDerWaalsContact C-N 3.35Å; L315-R317 VanDerWaalsContact C-N 3.3Å; L315-R317 PolarHBondContact O-N 3.37Å; L315-T318 VanDerWaalsContact CA-OG1 3.32Å; L315-T318 WeakPolarHBondContact CA-OG1 3.48Å; L315-T318 PolarHBondContact O-N 3.22Å; L315-T318 VanDerWaalsContact O-N 3.1Å; L315-T318 PolarHBondContact O-OG1 2.94Å; L315-M319 WeakPolarHBondContact O-CG 3.47Å; L315-M319 PolarHBondContact O-N 3.49Å |
| 316 | K | 80.4 | Confident | 83.1 | Confident | 120 Ų | 120 | 98.4 Ų | 98.4 | 52% | 0.522 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.4 | -38.8 | 175.2 | -68.4 | 174.4 | -165.9 | 169 | 0 | 112.6 | E312 E313 M319 L320 | E312-K316 WeakPolarHBondContact O-CG 3.5Å; E312-K316 PolarHBondContact O-N 3.48Å; E313-K316 PolarHBondContact O-N 3.48Å; E313-K316 IonicContact OE1-NZ 2.84Å; E313-K316 PolarHBondContact OE1-NZ 3.09Å; K316-M319 WeakPolarHBondContact O-CB 3.29Å; K316-M319 PolarHBondContact O-N 3.43Å; K316-L320 PolarHBondContact O-N 3.21Å |
| 317 | R | 77.9 | Confident | 82.3 | Confident | 180 Ų | 180 | 98.1 Ų | 98.1 | 68% | 0.679 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.8 | -35.4 | 175.1 | -70.9 | 171.4 | -171.4 | -161.7 | 1.7 | 112.6 | E313 R314 L315 L320 S321 | E313-R317 VanDerWaalsContact O-CG 3.26Å; E313-R317 WeakPolarHBondContact O-CG 3.41Å; E313-R317 PolarHBondContact O-N 2.91Å; R314-R317 PolarHBondContact O-N 2.87Å; L315-R317 VanDerWaalsContact C-N 3.3Å; L315-R317 PolarHBondContact O-N 3.37Å; R317-L320 PolarHBondContact O-N 2.9Å; R317-S321 PolarHBondContact O-N 3.12Å |
| 318 | T | 76.3 | Confident | 81.6 | Confident | 73 Ų | 73 | 104.9 Ų | 104.9 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69 | -43.9 | 175.5 | 6.1 | 0 | 0 | 0 | 0 | 110.5 | R314 L315 L320 S321 E322 | R314-T318 PolarHBondContact O-N 2.92Å; R314-T318 PolarHBondContact O-OG1 2.78Å; L315-T318 VanDerWaalsContact CA-OG1 3.32Å; L315-T318 WeakPolarHBondContact CA-OG1 3.48Å; L315-T318 PolarHBondContact O-N 3.22Å; L315-T318 VanDerWaalsContact O-N 3.1Å; L315-T318 PolarHBondContact O-OG1 2.94Å; T318-L320 VanDerWaalsContact C-N 3.3Å; T318-L320 PolarHBondContact O-N 2.94Å; T318-S321 WeakPolarHBondContact O-CA 3.18Å; T318-S321 WeakPolarHBondContact O-CB 3.21Å; T318-S321 PolarHBondContact O-N 3.05Å; T318-E322 WeakPolarHBondContact O-CG 3.4Å; T318-E322 PolarHBondContact O-N 3.19Å |
| 319 | M | 75.9 | Confident | 81 | Confident | 51 Ų | 51 | 103 Ų | 103 | 25% | 0.251 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -53.8 | -45.8 | 171.1 | -71.7 | -68 | -165 | 0 | 0 | 112 | L315 K316 S321 E322 V323 W336 Q340 | L315-M319 WeakPolarHBondContact O-CG 3.47Å; L315-M319 PolarHBondContact O-N 3.49Å; K316-M319 WeakPolarHBondContact O-CB 3.29Å; K316-M319 PolarHBondContact O-N 3.43Å; M319-S321 VanDerWaalsContact C-N 3.34Å; M319-S321 PolarHBondContact O-N 3.26Å; M319-E322 PolarHBondContact O-N 3.15Å; M319-V323 WeakPolarHBondContact O-CG2 3.33Å; M319-V323 PolarHBondContact O-N 2.95Å; M319-W336 HydrophobicContact CB-CH2 4.03Å; M319-W336 HydrophobicContact CB-CZ2 4.43Å; M319-W336 HydrophobicContact SD-CH2 3.8Å; M319-W336 HydrophobicContact SD-CZ2 3.61Å; M319-Q340 VanDerWaalsContact CE-OE1 3.27Å |
| 320 | L | 75.2 | Confident | 80.5 | Confident | 118 Ų | 118 | 104.6 Ų | 104.6 | 62% | 0.618 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.1 | -43.3 | 175.7 | -160.8 | 95.9 | 0 | 0 | 0 | 111.7 | K316 R317 T318 E322 V323 L324 | K316-L320 PolarHBondContact O-N 3.21Å; R317-L320 PolarHBondContact O-N 2.9Å; T318-L320 VanDerWaalsContact C-N 3.3Å; T318-L320 PolarHBondContact O-N 2.94Å; L320-E322 VanDerWaalsContact C-N 3.33Å; L320-E322 PolarHBondContact O-N 3.18Å; L320-V323 PolarHBondContact O-N 3.08Å; L320-L324 VanDerWaalsContact O-CG 3.27Å; L320-L324 WeakPolarHBondContact O-CG 3.37Å; L320-L324 PolarHBondContact O-N 3.36Å |
| 321 | S | 77.8 | Confident | 80 | Confident | 75 Ų | 75 | 101.5 Ų | 101.5 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 176.2 | -172.1 | 0 | 0 | 0 | 0 | 112.7 | R317 T318 M319 L324 Q325 | R317-S321 PolarHBondContact O-N 3.12Å; T318-S321 WeakPolarHBondContact O-CA 3.18Å; T318-S321 WeakPolarHBondContact O-CB 3.21Å; T318-S321 PolarHBondContact O-N 3.05Å; M319-S321 VanDerWaalsContact C-N 3.34Å; M319-S321 PolarHBondContact O-N 3.26Å; S321-L324 PolarHBondContact O-N 3.06Å; S321-Q325 PolarHBondContact O-N 2.73Å |
| 322 | E | 76.6 | Confident | 79.5 | Confident | 88 Ų | 88 | 99.4 Ų | 99.4 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 175.7 | -71.2 | 179.6 | -171.4 | 0 | 0 | 111.1 | T318 M319 L320 L324 Q325 Y326 W336 | T318-E322 WeakPolarHBondContact O-CG 3.4Å; T318-E322 PolarHBondContact O-N 3.19Å; M319-E322 PolarHBondContact O-N 3.15Å; L320-E322 VanDerWaalsContact C-N 3.33Å; L320-E322 PolarHBondContact O-N 3.18Å; E322-L324 VanDerWaalsContact C-N 3.32Å; E322-L324 PolarHBondContact O-N 3.2Å; E322-Q325 VanDerWaalsContact O-CB 3.29Å; E322-Q325 WeakPolarHBondContact O-CB 3.26Å; E322-Q325 PolarHBondContact O-N 2.91Å; E322-Q325 VanDerWaalsContact O-N 3.12Å; E322-Y326 WeakPolarHBondContact O-CD2 3.18Å; E322-W336 HydrophobicContact CB-CZ2 4.17Å |
| 323 | V | 77.8 | Confident | 79.2 | Confident | 25 Ų | 25 | 96.1 Ų | 96.1 | 15% | 0.152 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 174.2 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | M319 L320 Q325 Y326 I327 W336 L337 | M319-V323 WeakPolarHBondContact O-CG2 3.33Å; M319-V323 PolarHBondContact O-N 2.95Å; L320-V323 PolarHBondContact O-N 3.08Å; V323-Q325 PolarHBondContact O-N 3.3Å; V323-Y326 PolarHBondContact O-N 3.18Å; V323-I327 PolarHBondContact O-N 3.2Å; V323-W336 HydrophobicContact CB-CE3 4.47Å; V323-W336 HydrophobicContact CB-CZ3 4.4Å; V323-W336 HydrophobicContact CG2-CD2 4.12Å; V323-W336 HydrophobicContact CG2-CE3 3.42Å; V323-W336 VanDerWaalsContact CG2-CE3 3.42Å; V323-W336 HydrophobicContact CG2-CH2 3.32Å; V323-W336 HydrophobicContact CG2-CZ2 3.95Å; V323-W336 HydrophobicContact CG2-CZ3 3.02Å; V323-L337 HydrophobicContact CG1-CD2 4.42Å; V323-L337 HydrophobicContact CG2-CD2 4.46Å |
| 324 | L | 78.1 | Confident | 79 | Confident | 98 Ų | 98 | 99.1 Ų | 99.1 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -27.8 | 179.3 | -70.9 | 174.6 | 0 | 0 | 0 | 112.1 | L320 S321 E322 Y326 I327 | L320-L324 VanDerWaalsContact O-CG 3.27Å; L320-L324 WeakPolarHBondContact O-CG 3.37Å; L320-L324 PolarHBondContact O-N 3.36Å; S321-L324 PolarHBondContact O-N 3.06Å; E322-L324 VanDerWaalsContact C-N 3.32Å; E322-L324 PolarHBondContact O-N 3.2Å; L324-Y326 VanDerWaalsContact C-N 3.31Å; L324-Y326 PolarHBondContact O-N 3.37Å; L324-I327 HydrophobicContact CD2-CD1 3.67Å; L324-I327 WeakPolarHBondContact O-CB 3.45Å; L324-I327 WeakPolarHBondContact O-CG2 3.2Å; L324-I327 PolarHBondContact O-N 3.26Å |
| 325 | Q | 77.3 | Confident | 78.8 | Confident | 151 Ų | 151 | 97.6 Ų | 97.6 | 71% | 0.706 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70 | -27.2 | 176.6 | -164.2 | 169.9 | 13.8 | 0 | 0 | 113 | S321 E322 V323 | S321-Q325 PolarHBondContact O-N 2.73Å; E322-Q325 VanDerWaalsContact O-CB 3.29Å; E322-Q325 WeakPolarHBondContact O-CB 3.26Å; E322-Q325 PolarHBondContact O-N 2.91Å; E322-Q325 VanDerWaalsContact O-N 3.12Å; V323-Q325 PolarHBondContact O-N 3.3Å |
| 326 | Y | 77.6 | Confident | 78.8 | Confident | 99 Ų | 99 | 94.3 Ų | 94.3 | 39% | 0.388 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -97.7 | 0.9 | 178.4 | -58.7 | -69.7 | 0 | 0 | 0 | 113.3 | E322 V323 L324 Q328 D329 A332 W336 | E322-Y326 WeakPolarHBondContact O-CD2 3.18Å; V323-Y326 PolarHBondContact O-N 3.18Å; L324-Y326 VanDerWaalsContact C-N 3.31Å; L324-Y326 PolarHBondContact O-N 3.37Å; Y326-Q328 PolarHBondContact O-N 3.02Å; Y326-Q328 VanDerWaalsContact O-N 3.11Å; Y326-D329 CarbonylContact O-C 3.59Å; Y326-D329 PolarHBondContact O-N 2.88Å; Y326-A332 HydrophobicContact CD1-CB 4.22Å; Y326-W336 HydrophobicContact CD2-CG 4.32Å; Y326-W336 AromaticContact CE2-CD1 3.8Å |
| 327 | I | 76.9 | Confident | 78.9 | Confident | 102 Ų | 102 | 92.8 Ų | 92.8 | 52% | 0.523 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -20.6 | -169.7 | -141.3 | 156.6 | 0 | 0 | 0 | 114.1 | V323 L324 | V323-I327 PolarHBondContact O-N 3.2Å; L324-I327 HydrophobicContact CD2-CD1 3.67Å; L324-I327 WeakPolarHBondContact O-CB 3.45Å; L324-I327 WeakPolarHBondContact O-CG2 3.2Å; L324-I327 PolarHBondContact O-N 3.26Å |
| 328 | Q | 76.6 | Confident | 79 | Confident | 195 Ų | 195 | 87.5 Ų | 87.5 | 91% | 0.911 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -23.4 | 177 | -63.9 | -178.4 | 8.3 | 0 | 0 | 112.7 | Y326 | Y326-Q328 PolarHBondContact O-N 3.02Å; Y326-Q328 VanDerWaalsContact O-N 3.11Å |
| 329 | D | 80.3 | Confident | 79.1 | Confident | 89 Ų | 89 | 91 Ų | 91 | 48% | 0.476 | 47% | 0.468 | S | S | . | . | trans | -111 | 101.2 | 175.4 | -178 | -6.6 | 0 | 0 | 0 | 109.6 | Y326 S331 A332 C333 | Y326-D329 CarbonylContact O-C 3.59Å; Y326-D329 PolarHBondContact O-N 2.88Å; D329-S331 PolarHBondContact O-N 3.4Å; D329-S331 VanDerWaalsContact O-N 3.17Å; D329-S331 WeakPolarHBondContact OD1-CB 3.48Å; D329-S331 PolarHBondContact OD1-N 3.39Å; D329-A332 HydrophobicContact CB-CB 3.96Å; D329-A332 PolarHBondContact O-N 3.14Å; D329-A332 PolarHBondContact OD1-N 2.9Å; D329-C333 WeakPolarHBondContact O-CB 3.31Å; D329-C333 PolarHBondContact O-N 2.8Å | ||
| 330 | S | 80.7 | Confident | 79.3 | Confident | 90 Ų | 90 | 90.1 Ų | 90.1 | 63% | 0.629 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -55.2 | -34.3 | -178.2 | -170.7 | 0 | 0 | 0 | 0 | 112.9 | Q334 | S330-Q334 WeakPolarHBondContact O-CG 3.4Å; S330-Q334 PolarHBondContact O-N 3.05Å; S330-Q334 VanDerWaalsContact O-N 3.15Å |
| 331 | S | 81.1 | Confident | 79.5 | Confident | 65 Ų | 65 | 87 Ų | 87 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -72.2 | -46.5 | 179.2 | 152.1 | 0 | 0 | 0 | 0 | 111.7 | D329 Q334 Q335 | D329-S331 PolarHBondContact O-N 3.4Å; D329-S331 VanDerWaalsContact O-N 3.17Å; D329-S331 WeakPolarHBondContact OD1-CB 3.48Å; D329-S331 PolarHBondContact OD1-N 3.39Å; S331-Q334 PolarHBondContact O-N 2.95Å; S331-Q335 WeakPolarHBondContact O-CG 3.34Å; S331-Q335 PolarHBondContact O-N 3.35Å; S331-Q335 VanDerWaalsContact O-N 3.09Å |
| 332 | A | 79.1 | Confident | 79.4 | Confident | 25 Ų | 25 | 86.8 Ų | 86.8 | 21% | 0.207 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y326 D329 Q335 W336 | Y326-A332 HydrophobicContact CD1-CB 4.22Å; D329-A332 HydrophobicContact CB-CB 3.96Å; D329-A332 PolarHBondContact O-N 3.14Å; D329-A332 PolarHBondContact OD1-N 2.9Å; A332-Q335 PolarHBondContact O-N 3.26Å; A332-W336 WeakPolarHBondContact O-CB 3.48Å; A332-W336 PolarHBondContact O-N 2.96Å |
| 333 | C | 81.4 | Confident | 79.3 | Confident | 19 Ų | 19 | 86.1 Ų | 86.1 | 13% | 0.128 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 176.4 | -171.8 | 0 | 0 | 0 | 0 | 112 | D329 Q335 W336 L337 | D329-C333 WeakPolarHBondContact O-CB 3.31Å; D329-C333 PolarHBondContact O-N 2.8Å; C333-Q335 PolarHBondContact O-N 3.44Å; C333-W336 PolarHBondContact O-N 3.47Å; C333-L337 WeakPolarHBondContact O-CB 3.44Å; C333-L337 WeakPolarHBondContact O-CG 3.24Å; C333-L337 PolarHBondContact O-N 3.4Å |
| 334 | Q | 82.1 | Confident | 79.1 | Confident | 139 Ų | 139 | 90.8 Ų | 90.8 | 65% | 0.65 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65 | -38.8 | 177 | -77.7 | -155.2 | -12.2 | 0 | 0 | 113.2 | S330 S331 L337 S338 | S330-Q334 WeakPolarHBondContact O-CG 3.4Å; S330-Q334 PolarHBondContact O-N 3.05Å; S330-Q334 VanDerWaalsContact O-N 3.15Å; S331-Q334 PolarHBondContact O-N 2.95Å; Q334-L337 PolarHBondContact O-N 3.39Å; Q334-S338 WeakPolarHBondContact O-CB 3.17Å; Q334-S338 PolarHBondContact O-N 3.03Å |
| 335 | Q | 82.1 | Confident | 79 | Confident | 134 Ų | 134 | 90.2 Ų | 90.2 | 63% | 0.626 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66 | -40.4 | 176.5 | -72.6 | 175.6 | 22.7 | 0 | 0 | 112.2 | S331 A332 C333 R339 | S331-Q335 WeakPolarHBondContact O-CG 3.34Å; S331-Q335 PolarHBondContact O-N 3.35Å; S331-Q335 VanDerWaalsContact O-N 3.09Å; A332-Q335 PolarHBondContact O-N 3.26Å; C333-Q335 PolarHBondContact O-N 3.44Å; Q335-R339 WeakPolarHBondContact O-CB 3.33Å; Q335-R339 PolarHBondContact O-N 3.15Å |
| 336 | W | 83.7 | Confident | 77.9 | Confident | 45 Ų | 45 | 86.4 Ų | 86.4 | 17% | 0.17 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 175.3 | -173.6 | 102 | 0 | 0 | 0 | 111.1 | M319 E322 V323 Y326 A332 C333 S338 R339 Q340 | M319-W336 HydrophobicContact CB-CH2 4.03Å; M319-W336 HydrophobicContact CB-CZ2 4.43Å; M319-W336 HydrophobicContact SD-CH2 3.8Å; M319-W336 HydrophobicContact SD-CZ2 3.61Å; E322-W336 HydrophobicContact CB-CZ2 4.17Å; V323-W336 HydrophobicContact CB-CE3 4.47Å; V323-W336 HydrophobicContact CB-CZ3 4.4Å; V323-W336 HydrophobicContact CG2-CD2 4.12Å; V323-W336 HydrophobicContact CG2-CE3 3.42Å; V323-W336 VanDerWaalsContact CG2-CE3 3.42Å; V323-W336 HydrophobicContact CG2-CH2 3.32Å; V323-W336 HydrophobicContact CG2-CZ2 3.95Å; V323-W336 HydrophobicContact CG2-CZ3 3.02Å; Y326-W336 HydrophobicContact CD2-CG 4.32Å; Y326-W336 AromaticContact CE2-CD1 3.8Å; A332-W336 WeakPolarHBondContact O-CB 3.48Å; A332-W336 PolarHBondContact O-N 2.96Å; C333-W336 PolarHBondContact O-N 3.47Å; W336-S338 PolarHBondContact O-N 3.24Å; W336-R339 PolarHBondContact O-N 2.88Å; W336-Q340 HydrophobicContact CE3-CB 4.26Å; W336-Q340 HydrophobicContact CH2-CB 4.15Å; W336-Q340 HydrophobicContact CH2-CG 3.96Å; W336-Q340 HydrophobicContact CZ3-CB 3.85Å; W336-Q340 HydrophobicContact CZ3-CG 4.06Å; W336-Q340 PolarHBondContact O-N 3.01Å |
| 337 | L | 82 | Confident | 77 | Confident | 87 Ų | 87 | 87 Ų | 87 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 179.4 | -74.2 | 167.8 | 0 | 0 | 0 | 112.2 | V323 C333 Q334 Q340 A341 | V323-L337 HydrophobicContact CG1-CD2 4.42Å; V323-L337 HydrophobicContact CG2-CD2 4.46Å; C333-L337 WeakPolarHBondContact O-CB 3.44Å; C333-L337 WeakPolarHBondContact O-CG 3.24Å; C333-L337 PolarHBondContact O-N 3.4Å; Q334-L337 PolarHBondContact O-N 3.39Å; L337-Q340 PolarHBondContact O-N 2.87Å; L337-A341 WeakPolarHBondContact O-CB 3.45Å; L337-A341 PolarHBondContact O-N 3.18Å |
| 338 | S | 81.1 | Confident | 75.3 | Confident | 70 Ų | 70 | 87 Ų | 87 | 49% | 0.49 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 175.1 | -171.8 | 0 | 0 | 0 | 0 | 111.4 | Q334 W336 Q340 A341 D342 | Q334-S338 WeakPolarHBondContact O-CB 3.17Å; Q334-S338 PolarHBondContact O-N 3.03Å; W336-S338 PolarHBondContact O-N 3.24Å; S338-Q340 VanDerWaalsContact C-N 3.31Å; S338-Q340 PolarHBondContact O-N 3.23Å; S338-A341 PolarHBondContact O-N 3.15Å; S338-D342 VanDerWaalsContact O-CG 3.32Å; S338-D342 PolarHBondContact O-N 3.44Å |
| 339 | R | 78.9 | Confident | 73.7 | Confident | 147 Ų | 147 | 79.7 Ų | 79.7 | 56% | 0.555 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.6 | -37.8 | 179.1 | -170.8 | -179.5 | -173.1 | -176.9 | 2.1 | 112 | Q335 W336 I343 | Q335-R339 WeakPolarHBondContact O-CB 3.33Å; Q335-R339 PolarHBondContact O-N 3.15Å; W336-R339 PolarHBondContact O-N 2.88Å; R339-I343 HydrophobicContact CG-CD1 4.48Å; R339-I343 WeakPolarHBondContact O-CD1 3.4Å; R339-I343 VanDerWaalsContact O-CG1 3.3Å; R339-I343 WeakPolarHBondContact O-CG1 3.45Å; R339-I343 PolarHBondContact O-N 2.91Å |
| 340 | Q | 79.2 | Confident | 71.5 | Confident | 32 Ų | 32 | 81.7 Ų | 81.7 | 15% | 0.15 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -71.1 | -38.6 | 177.9 | -168 | 56.5 | 43.2 | 0 | 0 | 111.9 | M319 W336 L337 S338 D342 I343 D344 | M319-Q340 VanDerWaalsContact CE-OE1 3.27Å; W336-Q340 HydrophobicContact CE3-CB 4.26Å; W336-Q340 HydrophobicContact CH2-CB 4.15Å; W336-Q340 HydrophobicContact CH2-CG 3.96Å; W336-Q340 HydrophobicContact CZ3-CB 3.85Å; W336-Q340 HydrophobicContact CZ3-CG 4.06Å; W336-Q340 PolarHBondContact O-N 3.01Å; L337-Q340 PolarHBondContact O-N 2.87Å; S338-Q340 VanDerWaalsContact C-N 3.31Å; S338-Q340 PolarHBondContact O-N 3.23Å; Q340-D342 VanDerWaalsContact C-N 3.32Å; Q340-D342 PolarHBondContact O-N 3.08Å; Q340-I343 PolarHBondContact O-N 3.45Å; Q340-D344 PolarHBondContact NE2-OD1 3.15Å; Q340-D344 VanDerWaalsContact NE2-OD1 3.13Å; Q340-D344 PolarHBondContact O-N 3.17Å |
| 341 | A | 78.4 | Confident | 69.3 | Low | 52 Ų | 52 | 82.8 Ų | 82.8 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L337 S338 S345 | L337-A341 WeakPolarHBondContact O-CB 3.45Å; L337-A341 PolarHBondContact O-N 3.18Å; S338-A341 PolarHBondContact O-N 3.15Å; A341-S345 WeakPolarHBondContact O-CB 3.21Å; A341-S345 PolarHBondContact O-N 3.19Å; A341-S345 VanDerWaalsContact O-N 3.12Å; A341-S345 PolarHBondContact O-OG 3.18Å |
| 342 | D | 77.2 | Confident | 67.2 | Low | 71 Ų | 71 | 83.8 Ų | 83.8 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 174.1 | -68.4 | -28.3 | 0 | 0 | 0 | 111.5 | S338 Q340 S345 L347 | S338-D342 VanDerWaalsContact O-CG 3.32Å; S338-D342 PolarHBondContact O-N 3.44Å; Q340-D342 VanDerWaalsContact C-N 3.32Å; Q340-D342 PolarHBondContact O-N 3.08Å; D342-S345 PolarHBondContact O-N 3.1Å; D342-L347 PolarHBondContact O-N 2.89Å; D342-L347 VanDerWaalsContact O-O 3.05Å |
| 343 | I | 74.1 | Confident | 64.9 | Low | 73 Ų | 73 | 87.9 Ų | 87.9 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -47 | 177.3 | -67.3 | 165.7 | 0 | 0 | 0 | 111.2 | R339 Q340 S345 G346 P349 | R339-I343 HydrophobicContact CG-CD1 4.48Å; R339-I343 WeakPolarHBondContact O-CD1 3.4Å; R339-I343 VanDerWaalsContact O-CG1 3.3Å; R339-I343 WeakPolarHBondContact O-CG1 3.45Å; R339-I343 PolarHBondContact O-N 2.91Å; Q340-I343 PolarHBondContact O-N 3.45Å; I343-S345 PolarHBondContact O-N 3.02Å; I343-G346 PolarHBondContact O-N 3.44Å; I343-P349 HydrophobicContact CD1-CG 4.09Å; I343-P349 HydrophobicContact CG1-CG 3.36Å |
| 344 | D | 74.4 | Confident | 62.6 | Low | 123 Ų | 123 | 91.8 Ų | 91.8 | 66% | 0.658 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.3 | -24.5 | -178.3 | -73 | -1.2 | 0 | 0 | 0 | 112.4 | Q340 G346 | Q340-D344 PolarHBondContact NE2-OD1 3.15Å; Q340-D344 VanDerWaalsContact NE2-OD1 3.13Å; Q340-D344 PolarHBondContact O-N 3.17Å; D344-G346 PolarHBondContact O-N 2.75Å |
| 345 | S | 76.1 | Confident | 60.1 | Low | 87 Ų | 87 | 89 Ų | 89 | 61% | 0.608 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 4.6 | 176.9 | -57.6 | 0 | 0 | 0 | 0 | 113.7 | A341 D342 I343 L347 | A341-S345 WeakPolarHBondContact O-CB 3.21Å; A341-S345 PolarHBondContact O-N 3.19Å; A341-S345 VanDerWaalsContact O-N 3.12Å; A341-S345 PolarHBondContact O-OG 3.18Å; D342-S345 PolarHBondContact O-N 3.1Å; I343-S345 PolarHBondContact O-N 3.02Å; S345-L347 PolarHBondContact O-N 3.25Å |
| 346 | G | 54 | Low | 57.8 | Low | 70 Ų | 70 | 91 Ų | 91 | 72% | 0.722 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.7 | 5.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I343 D344 S348 | I343-G346 PolarHBondContact O-N 3.44Å; D344-G346 PolarHBondContact O-N 2.75Å; G346-S348 PolarHBondContact O-N 3.02Å |
| 347 | L | 58.6 | Low | 55.2 | Low | 111 Ų | 111 | 91 Ų | 91 | 58% | 0.581 | 56% | 0.56 | S | S | * | * | trans | -75.7 | 105.9 | 166 | -67.5 | 167.3 | 0 | 0 | 0 | 105.9 | D342 S345 P349 | D342-L347 PolarHBondContact O-N 2.89Å; D342-L347 VanDerWaalsContact O-O 3.05Å; S345-L347 PolarHBondContact O-N 3.25Å; L347-P349 VanDerWaalsContact O-CD 3.24Å; L347-P349 WeakPolarHBondContact O-CD 3.36Å | ||
| 348 | S | 40.4 | Very low | 53 | Low | 104 Ų | 104 | 90.5 Ų | 90.5 | 73% | 0.727 | 58% | 0.576 | S | S | * | * | trans | -55.6 | 119.3 | 168.5 | -166.9 | 0 | 0 | 0 | 0 | 106.5 | G346 T350 | G346-S348 PolarHBondContact O-N 3.02Å; S348-T350 PolarHBondContact O-N 3.36Å | ||
| 349 | P | 42.3 | Very low | 50.9 | Low | 40 Ų | 40 | 99.2 Ų | 99.2 | 26% | 0.26 | 60% | 0.598 | S | S | . | * | trans | -56.1 | 121.1 | 170.3 | -15.3 | 27.5 | 0 | 0 | 0 | 104.2 | I343 L347 V351 | I343-P349 HydrophobicContact CD1-CG 4.09Å; I343-P349 HydrophobicContact CG1-CG 3.36Å; L347-P349 VanDerWaalsContact O-CD 3.24Å; L347-P349 WeakPolarHBondContact O-CD 3.36Å; P349-V351 PolarHBondContact O-N 3.46Å | ||
| 350 | T | 35.8 | Very low | 49.2 | Very low | 132 Ų | 132 | 101.9 Ų | 101.9 | 81% | 0.81 | 61% | 0.608 | S | S | * | * | trans | -52.1 | 100.5 | 165.5 | 37.9 | 0 | 0 | 0 | 0 | 105.3 | S348 P352 | S348-T350 PolarHBondContact O-N 3.36Å; T350-P352 WeakPolarHBondContact O-CD 3.27Å | ||
| 351 | V | 33.3 | Very low | 47.6 | Very low | 113 Ų | 113 | 105.3 Ų | 105.3 | 69% | 0.685 | 64% | 0.636 | S | S | * | * | trans | -48.8 | 107.2 | -174 | 173 | 0 | 0 | 0 | 0 | 106.8 | P349 V353 | P349-V351 PolarHBondContact O-N 3.46Å; V351-V353 VanDerWaalsContact C-N 3.28Å; V351-V353 HydrophobicContact CG1-CG2 4.22Å; V351-V353 PolarHBondContact O-N 3.33Å | ||
| 352 | P | 36.6 | Very low | 46.1 | Very low | 85 Ų | 85 | 105 Ų | 105 | 55% | 0.552 | 63% | 0.633 | S | S | * | * | trans | -73.6 | 108.4 | 146.7 | 9.3 | 12.4 | 0 | 0 | 0 | 101.2 | T350 A354 | T350-P352 WeakPolarHBondContact O-CD 3.27Å; P352-A354 PolarHBondContact O-N 3.31Å | ||
| 353 | V | 32.2 | Very low | 45.2 | Very low | 112 Ų | 112 | 106.8 Ų | 106.8 | 68% | 0.679 | 65% | 0.649 | S | S | * | * | trans | -36.7 | 125.7 | 162.1 | 169.9 | 0 | 0 | 0 | 0 | 105.9 | V351 S355 | V351-V353 VanDerWaalsContact C-N 3.28Å; V351-V353 HydrophobicContact CG1-CG2 4.22Å; V351-V353 PolarHBondContact O-N 3.33Å; V353-S355 PolarHBondContact O-N 2.88Å | ||
| 354 | A | 32.3 | Very low | 44.6 | Very low | 100 Ų | 100 | 107.1 Ų | 107.1 | 83% | 0.826 | 66% | 0.656 | S | S | * | * | trans | -49.2 | 98.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108 | P352 | P352-A354 PolarHBondContact O-N 3.31Š| ||
| 355 | S | 28.9 | Very low | 44.4 | Very low | 81 Ų | 81 | 103.4 Ų | 103.4 | 57% | 0.566 | 64% | 0.635 | S | S | * | * | trans | -113.4 | 82.2 | 162.9 | 54.1 | 0 | 0 | 0 | 0 | 103.6 | V353 S357 | V353-S355 PolarHBondContact O-N 2.88Å; S355-S357 PolarHBondContact O-N 3.1Å | ||
| 356 | N | 33.5 | Very low | 44.1 | Very low | 177 Ų | 177 | 105.7 Ų | 105.7 | 95% | 0.947 | 64% | 0.641 | S | S | * | * | trans | -65.3 | 75 | 147.2 | -109 | 10.7 | 0 | 0 | 0 | 107.4 | ||||
| 357 | S | 30.7 | Very low | 44.8 | Very low | 44 Ų | 44 | 103.1 Ų | 103.1 | 31% | 0.308 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -155.8 | 95.4 | 159.6 | 65.3 | 0 | 0 | 0 | 0 | 102.8 | S355 R359 | S355-S357 PolarHBondContact O-N 3.1Å; S357-R359 PolarHBondContact O-N 3.5Å |
| 358 | G | 35.2 | Very low | 44.9 | Very low | 77 Ų | 77 | 103.9 Ų | 103.9 | 79% | 0.794 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -45 | 119.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | R360 | G358-R360 VanDerWaalsContact C-N 3.27Å; G358-R360 PolarHBondContact O-N 2.83Å |
| 359 | R | 36.7 | Very low | 45.8 | Very low | 252 Ų | 252 | 102.8 Ų | 102.8 | 95% | 0.951 | 63% | 0.625 | S | S | * | * | trans | -20.8 | 88.5 | -163 | -78.6 | 179.2 | 179.8 | 168.9 | 0.6 | 110.7 | S357 S361 | S357-R359 PolarHBondContact O-N 3.5Å; R359-S361 PolarHBondContact O-N 3.43Å | ||
| 360 | R | 42.8 | Very low | 47 | Very low | 204 Ų | 204 | 103.7 Ų | 103.7 | 77% | 0.77 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 118.5 | 171.4 | -79.6 | -178.8 | -168 | -165 | 6.5 | 102.4 | G358 A362 | G358-R360 VanDerWaalsContact C-N 3.27Å; G358-R360 PolarHBondContact O-N 2.83Å; R360-A362 PolarHBondContact O-N 2.87Å |
| 361 | S | 45.2 | Very low | 48.1 | Very low | 103 Ų | 103 | 102.4 Ų | 102.4 | 72% | 0.72 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 131.7 | 171.4 | 55.9 | 0 | 0 | 0 | 0 | 106.6 | R359 | R359-S361 PolarHBondContact O-N 3.43Š|
| 362 | A | 47.8 | Very low | 49.5 | Very low | 46 Ų | 46 | 98.3 Ų | 98.3 | 38% | 0.38 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -46.2 | 138.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | R360 | R360-A362 PolarHBondContact O-N 2.87Š|
| 363 | P | 57.7 | Low | 51.1 | Low | 108 Ų | 108 | 95.5 Ų | 95.5 | 70% | 0.701 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 139.8 | -177.5 | -26.7 | 32.3 | 0 | 0 | 0 | 110.7 | L365 | P363-L365 PolarHBondContact O-N 2.72Š|
| 364 | P | 63.2 | Low | 52.9 | Low | 81 Ų | 81 | 98.8 Ų | 98.8 | 53% | 0.526 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -52.8 | 136.4 | -179.2 | 19.1 | -29.6 | 0 | 0 | 0 | 110.2 | N366 Q385 | P364-N366 PolarHBondContact O-N 3.24Å; P364-Q385 HydrophobicContact CB-CB 3.83Å; P364-Q385 HydrophobicContact CB-CG 4.38Å |
| 365 | L | 69.5 | Low | 54.8 | Low | 44 Ų | 44 | 102.1 Ų | 102.1 | 23% | 0.23 | 59% | 0.587 | C | S | . | * | P | Polyproline II helix | trans | -61.7 | 117.6 | -178.5 | -171.7 | 78.8 | 0 | 0 | 0 | 109.8 | P363 L367 L370 Q385 R388 | P363-L365 PolarHBondContact O-N 2.72Å; L365-L367 HydrophobicContact CD2-CD2 4.09Å; L365-L367 PolarHBondContact O-N 3.07Å; L365-L367 VanDerWaalsContact O-N 3.09Å; L365-L370 HydrophobicContact CD2-CD1 4.38Å; L365-Q385 PolarHBondContact N-O 2.97Å; L365-Q385 WeakPolarHBondContact O-CG 3.16Å; L365-R388 HydrophobicContact CB-CG 4.41Å |
| 366 | N | 70.1 | Confident | 57.1 | Low | 135 Ų | 135 | 98.5 Ų | 98.5 | 72% | 0.722 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 116.6 | 173.4 | -86.5 | -53 | 0 | 0 | 0 | 109.8 | P364 T368 | P364-N366 PolarHBondContact O-N 3.24Å; N366-T368 VanDerWaalsContact C-N 3.33Å |
| 367 | L | 67.6 | Low | 59.3 | Low | 17 Ų | 17 | 94.8 Ų | 94.8 | 9% | 0.089 | 54% | 0.542 | C | S | . | . | trans | -87.9 | -0.1 | -177.5 | -63.7 | -177.6 | 0 | 0 | 0 | 112.8 | L365 G369 T373 K381 C384 Q385 P391 | L365-L367 HydrophobicContact CD2-CD2 4.09Å; L365-L367 PolarHBondContact O-N 3.07Å; L365-L367 VanDerWaalsContact O-N 3.09Å; L367-G369 PolarHBondContact O-N 3.48Å; L367-T373 HydrophobicContact CB-CG2 4.23Å; L367-T373 WeakPolarHBondContact O-CG2 3.33Å; L367-K381 HydrophobicContact CD1-CB 3.74Å; L367-K381 HydrophobicContact CD1-CG 3.99Å; L367-C384 HydrophobicContact CD1-CB 4.43Å; L367-C384 HydrophobicContact CD2-CB 4.29Å; L367-Q385 HydrophobicContact CD1-CG 3.76Å; L367-Q385 HydrophobicContact CG-CG 3.8Å; L367-P391 HydrophobicContact CD2-CG 3.79Å | ||
| 368 | T | 60.4 | Low | 61.4 | Low | 127 Ų | 127 | 100.3 Ų | 100.3 | 78% | 0.779 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 118.4 | -178.7 | 6.8 | 0 | 0 | 0 | 0 | 110.9 | N366 | N366-T368 VanDerWaalsContact C-N 3.33Š|
| 369 | G | 59.7 | Low | 63.6 | Low | 81 Ų | 81 | 101.8 Ų | 101.8 | 84% | 0.835 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | 4.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | L367 | L367-G369 PolarHBondContact O-N 3.48Š|
| 370 | L | 67.4 | Low | 65.7 | Low | 58 Ų | 58 | 90.1 Ų | 90.1 | 30% | 0.304 | 50% | 0.504 | S | S | . | . | trans | -86.3 | 142.8 | 176.1 | -67.6 | 174 | 0 | 0 | 0 | 112 | L365 G372 T373 | L365-L370 HydrophobicContact CD2-CD1 4.38Å; L370-G372 PolarHBondContact O-N 2.68Å; L370-T373 HydrophobicContact CB-CG2 3.87Å; L370-T373 WeakPolarHBondContact O-CG2 3.34Å; L370-T373 PolarHBondContact O-OG1 3.17Å | ||
| 371 | P | 59.8 | Low | 67.5 | Low | 105 Ų | 105 | 84 Ų | 84 | 68% | 0.682 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 133.4 | 178.1 | 25.8 | -32.8 | 0 | 0 | 0 | 111.4 | ||
| 372 | G | 61.4 | Low | 69.1 | Low | 27 Ų | 27 | 84.6 Ų | 84.6 | 28% | 0.278 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | 1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.8 | L370 E374 K375 | L370-G372 PolarHBondContact O-N 2.68Å; G372-E374 VanDerWaalsContact C-N 3.28Å; G372-E374 PolarHBondContact O-N 3.3Å; G372-K375 PolarHBondContact O-N 3.09Å |
| 373 | T | 70.2 | Confident | 70.8 | Confident | 27 Ų | 27 | 83 Ų | 83 | 17% | 0.166 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -63.9 | -30.4 | 177 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | L367 L370 K375 L376 K381 P391 | L367-T373 HydrophobicContact CB-CG2 4.23Å; L367-T373 WeakPolarHBondContact O-CG2 3.33Å; L370-T373 HydrophobicContact CB-CG2 3.87Å; L370-T373 WeakPolarHBondContact O-CG2 3.34Å; L370-T373 PolarHBondContact O-OG1 3.17Å; T373-K375 VanDerWaalsContact C-N 3.25Å; T373-K375 PolarHBondContact O-N 2.9Å; T373-L376 PolarHBondContact O-N 3.36Å; T373-K381 WeakPolarHBondContact O-CE 3.46Å; T373-P391 HydrophobicContact CG2-CB 4.24Å; T373-P391 HydrophobicContact CG2-CG 3.7Å |
| 374 | E | 70.7 | Confident | 71.9 | Confident | 181 Ų | 181 | 77.9 Ų | 77.9 | 85% | 0.846 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -71.9 | -20.3 | -179.3 | -56.7 | -167.9 | -178 | 0 | 0 | 112.9 | G372 | G372-E374 VanDerWaalsContact C-N 3.28Å; G372-E374 PolarHBondContact O-N 3.3Å |
| 375 | K | 72.7 | Confident | 72.7 | Confident | 169 Ų | 169 | 77.1 Ų | 77.1 | 74% | 0.735 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -93.2 | 2.3 | -178.6 | -62.2 | -178.2 | -179.6 | 179.9 | 0 | 113.6 | G372 T373 L395 | G372-K375 PolarHBondContact O-N 3.09Å; T373-K375 VanDerWaalsContact C-N 3.25Å; T373-K375 PolarHBondContact O-N 2.9Å; K375-L395 HydrophobicContact CB-CD1 3.94Å; K375-L395 HydrophobicContact CD-CD1 4.44Å |
| 376 | L | 76.3 | Confident | 73.2 | Confident | 5 Ų | 5 | 81.5 Ų | 81.5 | 3% | 0.026 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -101.3 | 137.6 | -179.9 | -65.4 | 178.9 | 0 | 0 | 0 | 111.9 | T373 E380 K381 P391 Y394 L395 | T373-L376 PolarHBondContact O-N 3.36Å; L376-E380 HydrophobicContact CB-CB 4.18Å; L376-E380 HydrophobicContact CD2-CB 4.02Å; L376-K381 HydrophobicContact CB-CG 3.75Å; L376-K381 HydrophobicContact CD1-CG 4.31Å; L376-K381 WeakPolarHBondContact O-CE 3.22Å; L376-P391 HydrophobicContact CD1-CB 3.48Å; L376-P391 VanDerWaalsContact CD1-CB 3.48Å; L376-P391 HydrophobicContact CD1-CG 3.69Å; L376-P391 HydrophobicContact CG-CB 4.26Å; L376-Y394 HydrophobicContact CD2-CD1 3.41Å; L376-Y394 VanDerWaalsContact CD2-CD1 3.41Å; L376-Y394 HydrophobicContact CD2-CE1 3.76Å; L376-L395 HydrophobicContact CD2-CD2 3.76Å; L376-L395 HydrophobicContact CD2-CG 4Å |
| 377 | N | 80.3 | Confident | 73.7 | Confident | 100 Ų | 100 | 75.4 Ų | 75.4 | 54% | 0.535 | 40% | 0.404 | S | S | . | . | trans | -71.9 | 160.9 | 168.6 | -73.3 | -14.3 | 0 | 0 | 0 | 111.4 | K379 E380 K381 | N377-K379 VanDerWaalsContact C-N 3.31Å; N377-K379 PolarHBondContact O-N 3.41Å; N377-E380 HydrophobicContact CB-CG 4.24Å; N377-E380 PolarHBondContact N-OE2 2.89Å; N377-E380 WeakPolarHBondContact O-CA 3.22Å; N377-E380 WeakPolarHBondContact O-CB 3.47Å; N377-E380 PolarHBondContact O-N 3.15Å; N377-K381 WeakPolarHBondContact O-CG 3.33Å; N377-K381 PolarHBondContact O-N 3.45Å | ||
| 378 | E | 75.8 | Confident | 74.3 | Confident | 160 Ų | 160 | 81 Ų | 81 | 75% | 0.748 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -53.5 | -44.5 | -179.5 | -81.5 | 176.5 | 162.4 | 0 | 0 | 113 | E380 K381 E382 | E378-E380 VanDerWaalsContact C-N 3.29Å; E378-E380 PolarHBondContact O-N 2.94Å; E378-K381 WeakPolarHBondContact O-CB 3.43Å; E378-K381 PolarHBondContact O-N 3.41Å; E378-E382 WeakPolarHBondContact O-CG 3.38Å; E378-E382 PolarHBondContact O-N 3.32Å |
| 379 | K | 80.3 | Confident | 75.3 | Confident | 108 Ų | 108 | 75.7 Ų | 75.7 | 47% | 0.47 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.8 | -32.8 | 175.6 | -62.6 | -177.8 | 179.2 | -179.4 | 0 | 113.6 | N377 L383 F433 E437 | N377-K379 VanDerWaalsContact C-N 3.31Å; N377-K379 PolarHBondContact O-N 3.41Å; K379-L383 PolarHBondContact O-N 2.96Å; K379-L383 VanDerWaalsContact O-N 3.12Å; K379-F433 HydrophobicContact CB-CE2 4.15Å; K379-F433 HydrophobicContact CB-CZ 4.05Å; K379-E437 WeakPolarHBondContact CD-OE1 3.38Å; K379-E437 VanDerWaalsContact NZ-CD 3.29Å; K379-E437 IonicContact NZ-OE1 3.14Å; K379-E437 PolarHBondContact NZ-OE1 2.96Å; K379-E437 IonicContact NZ-OE2 3.41Å; K379-E437 PolarHBondContact NZ-OE2 2.94Å |
| 380 | E | 81.9 | Confident | 76.4 | Confident | 7 Ų | 7 | 75 Ų | 75 | 3% | 0.033 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -78.4 | -33.7 | 178.3 | -60.6 | 178.6 | 138.3 | 0 | 0 | 111.3 | L376 N377 E378 L383 C384 Y394 K398 F433 | L376-E380 HydrophobicContact CB-CB 4.18Å; L376-E380 HydrophobicContact CD2-CB 4.02Å; N377-E380 HydrophobicContact CB-CG 4.24Å; N377-E380 PolarHBondContact N-OE2 2.89Å; N377-E380 WeakPolarHBondContact O-CA 3.22Å; N377-E380 WeakPolarHBondContact O-CB 3.47Å; N377-E380 PolarHBondContact O-N 3.15Å; E378-E380 VanDerWaalsContact C-N 3.29Å; E378-E380 PolarHBondContact O-N 2.94Å; E380-L383 PolarHBondContact O-N 3.39Å; E380-C384 WeakPolarHBondContact O-CB 3.34Å; E380-C384 PolarHBondContact O-N 2.86Å; E380-C384 PolarHBondContact O-SG 3.32Å; E380-Y394 HydrophobicContact CB-CE1 3.98Å; E380-Y394 HydrophobicContact CG-CE1 4.04Å; E380-Y394 PolarHBondContact OE1-OH 2.82Å; E380-K398 IonicContact OE1-NZ 2.8Å; E380-K398 PolarHBondContact OE1-NZ 3.02Å; E380-F433 HydrophobicContact CG-CE1 4.04Å; E380-F433 HydrophobicContact CG-CZ 4.04Å |
| 381 | K | 79 | Confident | 77.1 | Confident | 74 Ų | 74 | 72.3 Ų | 72.3 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 170.4 | -70.8 | 174.9 | 178.4 | 166.7 | 0 | 110.4 | L367 T373 L376 N377 E378 L383 C384 Q385 | L367-K381 HydrophobicContact CD1-CB 3.74Å; L367-K381 HydrophobicContact CD1-CG 3.99Å; T373-K381 WeakPolarHBondContact O-CE 3.46Å; L376-K381 HydrophobicContact CB-CG 3.75Å; L376-K381 HydrophobicContact CD1-CG 4.31Å; L376-K381 WeakPolarHBondContact O-CE 3.22Å; N377-K381 WeakPolarHBondContact O-CG 3.33Å; N377-K381 PolarHBondContact O-N 3.45Å; E378-K381 WeakPolarHBondContact O-CB 3.43Å; E378-K381 PolarHBondContact O-N 3.41Å; K381-L383 PolarHBondContact O-N 3.21Å; K381-C384 PolarHBondContact O-N 3.4Å; K381-Q385 WeakPolarHBondContact O-CB 3.34Å; K381-Q385 VanDerWaalsContact O-CG 3.22Å; K381-Q385 WeakPolarHBondContact O-CG 3.47Å; K381-Q385 PolarHBondContact O-N 2.94Å |
| 382 | E | 80.6 | Confident | 78.1 | Confident | 117 Ų | 117 | 68.4 Ų | 68.4 | 55% | 0.547 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 174.6 | -73 | 178.2 | 179.8 | 0 | 0 | 112.3 | E378 Q385 M386 | E378-E382 WeakPolarHBondContact O-CG 3.38Å; E378-E382 PolarHBondContact O-N 3.32Å; E382-Q385 WeakPolarHBondContact O-CB 3.14Å; E382-Q385 PolarHBondContact O-N 3.43Å; E382-M386 WeakPolarHBondContact O-CB 3.25Å; E382-M386 WeakPolarHBondContact O-CG 3.28Å; E382-M386 PolarHBondContact O-N 3.1Å |
| 383 | L | 82 | Confident | 79.1 | Confident | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.063 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 175.6 | -174.9 | 75.5 | 0 | 0 | 0 | 111.6 | K379 E380 K381 Q385 M386 V387 Y394 F433 | K379-L383 PolarHBondContact O-N 2.96Å; K379-L383 VanDerWaalsContact O-N 3.12Å; E380-L383 PolarHBondContact O-N 3.39Å; K381-L383 PolarHBondContact O-N 3.21Å; L383-Q385 VanDerWaalsContact C-N 3.29Å; L383-Q385 PolarHBondContact O-N 3.5Å; L383-M386 PolarHBondContact O-N 3.21Å; L383-V387 HydrophobicContact CD1-CG2 3.77Å; L383-V387 HydrophobicContact CG-CG2 4.08Å; L383-V387 VanDerWaalsContact O-CB 3.25Å; L383-V387 WeakPolarHBondContact O-CB 3.41Å; L383-V387 VanDerWaalsContact O-CG2 3.28Å; L383-V387 WeakPolarHBondContact O-CG2 3.42Å; L383-V387 PolarHBondContact O-N 3.09Å; L383-Y394 HydrophobicContact CD2-CD2 4.36Å; L383-Y394 HydrophobicContact CD2-CE2 3.6Å; L383-F433 HydrophobicContact CD1-CB 4.09Å; L383-F433 HydrophobicContact CD1-CD2 4.2Å; L383-F433 HydrophobicContact CD1-CG 4.2Å; L383-F433 HydrophobicContact CD2-CB 3.91Å; L383-F433 HydrophobicContact CD2-CD1 3.65Å; L383-F433 HydrophobicContact CD2-CD2 4.17Å; L383-F433 HydrophobicContact CD2-CE1 4.17Å; L383-F433 HydrophobicContact CD2-CG 3.64Å; L383-F433 HydrophobicContact CG-CG 4.42Å |
| 384 | C | 80.5 | Confident | 79.9 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 178.3 | -70 | 0 | 0 | 0 | 0 | 111.7 | L367 E380 K381 R388 L389 | L367-C384 HydrophobicContact CD1-CB 4.43Å; L367-C384 HydrophobicContact CD2-CB 4.29Å; E380-C384 WeakPolarHBondContact O-CB 3.34Å; E380-C384 PolarHBondContact O-N 2.86Å; E380-C384 PolarHBondContact O-SG 3.32Å; K381-C384 PolarHBondContact O-N 3.4Å; C384-R388 WeakPolarHBondContact O-CA 3.48Å; C384-R388 PolarHBondContact O-N 3.31Å; C384-L389 WeakPolarHBondContact CB-O 3.33Å; C384-L389 PolarHBondContact O-N 3.43Å |
| 385 | Q | 80.9 | Confident | 80.5 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.9 | -50.1 | 173.6 | -76.9 | 175.7 | 6.6 | 0 | 0 | 112 | P364 L365 L367 K381 E382 L383 | P364-Q385 HydrophobicContact CB-CB 3.83Å; P364-Q385 HydrophobicContact CB-CG 4.38Å; L365-Q385 PolarHBondContact N-O 2.97Å; L365-Q385 WeakPolarHBondContact O-CG 3.16Å; L367-Q385 HydrophobicContact CD1-CG 3.76Å; L367-Q385 HydrophobicContact CG-CG 3.8Å; K381-Q385 WeakPolarHBondContact O-CB 3.34Å; K381-Q385 VanDerWaalsContact O-CG 3.22Å; K381-Q385 WeakPolarHBondContact O-CG 3.47Å; K381-Q385 PolarHBondContact O-N 2.94Å; E382-Q385 WeakPolarHBondContact O-CB 3.14Å; E382-Q385 PolarHBondContact O-N 3.43Å; L383-Q385 VanDerWaalsContact C-N 3.29Å; L383-Q385 PolarHBondContact O-N 3.5Å |
| 386 | M | 79.3 | Confident | 81.1 | Confident | 135 Ų | 135 | 59.1 Ų | 59.1 | 67% | 0.665 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -71.3 | -37.6 | -178 | -73.2 | -161.7 | -58.1 | 0 | 0 | 113.9 | E382 L383 R388 | E382-M386 WeakPolarHBondContact O-CB 3.25Å; E382-M386 WeakPolarHBondContact O-CG 3.28Å; E382-M386 PolarHBondContact O-N 3.1Å; L383-M386 PolarHBondContact O-N 3.21Å; M386-R388 VanDerWaalsContact C-N 3.32Å |
| 387 | V | 81.8 | Confident | 81.7 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -87.5 | -9.8 | -178.7 | -177 | 0 | 0 | 0 | 0 | 111.2 | L383 K426 K429 | L383-V387 HydrophobicContact CD1-CG2 3.77Å; L383-V387 HydrophobicContact CG-CG2 4.08Å; L383-V387 VanDerWaalsContact O-CB 3.25Å; L383-V387 WeakPolarHBondContact O-CB 3.41Å; L383-V387 VanDerWaalsContact O-CG2 3.28Å; L383-V387 WeakPolarHBondContact O-CG2 3.42Å; L383-V387 PolarHBondContact O-N 3.09Å; V387-K426 HydrophobicContact CG1-CB 3.72Å; V387-K426 HydrophobicContact CG1-CD 3.98Å; V387-K426 HydrophobicContact CG1-CG 3.67Å; V387-K426 WeakPolarHBondContact O-CE 3.25Å; V387-K426 PolarHBondContact O-NZ 3.38Å; V387-K429 HydrophobicContact CG2-CB 3.94Å; V387-K429 HydrophobicContact CG2-CD 3.85Å |
| 388 | R | 80.4 | Confident | 82 | Confident | 135 Ų | 135 | 58.4 Ų | 58.4 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 63.2 | -175 | -60.7 | 179.8 | 63.8 | -153.6 | 1.7 | 110.3 | L365 C384 M386 K426 | L365-R388 HydrophobicContact CB-CG 4.41Å; C384-R388 WeakPolarHBondContact O-CA 3.48Å; C384-R388 PolarHBondContact O-N 3.31Å; M386-R388 VanDerWaalsContact C-N 3.32Å; R388-K426 PolarHBondContact O-NZ 2.99Å |
| 389 | L | 81 | Confident | 82.5 | Confident | 14 Ų | 14 | 53.7 Ų | 53.7 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | trans | -119.8 | 134.6 | -180 | -158 | 72 | 0 | 0 | 0 | 108.7 | C384 Y394 Y397 I430 | C384-L389 WeakPolarHBondContact CB-O 3.33Å; C384-L389 PolarHBondContact O-N 3.43Å; L389-Y394 HydrophobicContact CD2-CD2 3.87Å; L389-Y394 HydrophobicContact CD2-CG 4.22Å; L389-Y397 HydrophobicContact CD1-CD2 4.42Å; L389-Y397 HydrophobicContact CD1-CE2 4.03Å; L389-Y397 HydrophobicContact CD2-CD2 4.03Å; L389-Y397 HydrophobicContact CD2-CE2 4.41Å; L389-I430 HydrophobicContact CD2-CD1 3.72Å | ||
| 390 | V | 82.9 | Confident | 82.8 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | trans | -70.1 | 132.8 | 175.7 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | G392 A393 Y394 | V390-G392 VanDerWaalsContact C-N 3.31Å; V390-G392 PolarHBondContact O-N 3.01Å; V390-A393 PolarHBondContact O-N 3.03Å; V390-Y394 PolarHBondContact O-N 3.47Å | ||
| 391 | P | 82.3 | Confident | 83 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -47.8 | -43.9 | -178.9 | -38.2 | 42.6 | 0 | 0 | 0 | 115.8 | L367 T373 L376 Y394 L395 | L367-P391 HydrophobicContact CD2-CG 3.79Å; T373-P391 HydrophobicContact CG2-CB 4.24Å; T373-P391 HydrophobicContact CG2-CG 3.7Å; L376-P391 HydrophobicContact CD1-CB 3.48Å; L376-P391 VanDerWaalsContact CD1-CB 3.48Å; L376-P391 HydrophobicContact CD1-CG 3.69Å; L376-P391 HydrophobicContact CG-CB 4.26Å; P391-Y394 WeakPolarHBondContact O-CB 3.31Å; P391-Y394 PolarHBondContact O-N 2.97Å; P391-L395 WeakPolarHBondContact O-CG 3.03Å; P391-L395 PolarHBondContact O-N 3.12Å; P391-L395 VanDerWaalsContact O-N 3.09Å |
| 392 | G | 80.1 | Confident | 83.4 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 25% | 0.247 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.9 | -49.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V390 Y394 L395 E396 | V390-G392 VanDerWaalsContact C-N 3.31Å; V390-G392 PolarHBondContact O-N 3.01Å; G392-Y394 VanDerWaalsContact C-N 3.32Å; G392-Y394 PolarHBondContact O-N 3.28Å; G392-L395 PolarHBondContact O-N 3.46Å; G392-E396 PolarHBondContact O-N 3.3Å; G392-E396 VanDerWaalsContact O-N 3.17Å |
| 393 | A | 82.9 | Confident | 83.8 | Confident | 25 Ų | 25 | 47 Ų | 47 | 21% | 0.207 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.1 | -36.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V390 E396 Y397 | V390-A393 PolarHBondContact O-N 3.03Å; A393-E396 PolarHBondContact O-N 3.09Å; A393-Y397 HydrophobicContact CB-CE2 3.86Å; A393-Y397 WeakPolarHBondContact O-CD2 3.43Å; A393-Y397 WeakPolarHBondContact O-CE2 3.48Å; A393-Y397 PolarHBondContact O-N 3.17Å |
| 394 | Y | 85.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 173.8 | 174.5 | -101.9 | 0 | 0 | 0 | 112.4 | L376 E380 L383 L389 V390 P391 G392 E396 Y397 K398 I430 F433 | L376-Y394 HydrophobicContact CD2-CD1 3.41Å; L376-Y394 VanDerWaalsContact CD2-CD1 3.41Å; L376-Y394 HydrophobicContact CD2-CE1 3.76Å; E380-Y394 HydrophobicContact CB-CE1 3.98Å; E380-Y394 HydrophobicContact CG-CE1 4.04Å; E380-Y394 PolarHBondContact OE1-OH 2.82Å; L383-Y394 HydrophobicContact CD2-CD2 4.36Å; L383-Y394 HydrophobicContact CD2-CE2 3.6Å; L389-Y394 HydrophobicContact CD2-CD2 3.87Å; L389-Y394 HydrophobicContact CD2-CG 4.22Å; V390-Y394 PolarHBondContact O-N 3.47Å; P391-Y394 WeakPolarHBondContact O-CB 3.31Å; P391-Y394 PolarHBondContact O-N 2.97Å; G392-Y394 VanDerWaalsContact C-N 3.32Å; G392-Y394 PolarHBondContact O-N 3.28Å; Y394-E396 VanDerWaalsContact C-N 3.31Å; Y394-E396 PolarHBondContact O-N 2.88Å; Y394-Y397 PolarHBondContact O-N 3.39Å; Y394-K398 HydrophobicContact CE1-CB 4.44Å; Y394-K398 HydrophobicContact CE1-CD 4.05Å; Y394-K398 WeakPolarHBondContact O-CB 3.48Å; Y394-K398 PolarHBondContact O-N 3.05Å; Y394-I430 HydrophobicContact CE2-CG2 4.3Å; Y394-F433 WeakPolarHBondContact OH-CE1 3.2Å |
| 395 | L | 84.7 | Confident | 84.2 | Confident | 48 Ų | 48 | 48.4 Ų | 48.4 | 25% | 0.251 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | -179.4 | -70 | 171.3 | 0 | 0 | 0 | 111.6 | K375 L376 P391 G392 K398 A399 | K375-L395 HydrophobicContact CB-CD1 3.94Å; K375-L395 HydrophobicContact CD-CD1 4.44Å; L376-L395 HydrophobicContact CD2-CD2 3.76Å; L376-L395 HydrophobicContact CD2-CG 4Å; P391-L395 WeakPolarHBondContact O-CG 3.03Å; P391-L395 PolarHBondContact O-N 3.12Å; P391-L395 VanDerWaalsContact O-N 3.09Å; G392-L395 PolarHBondContact O-N 3.46Å; L395-K398 PolarHBondContact O-N 3.24Å; L395-A399 WeakPolarHBondContact O-CB 3.04Å; L395-A399 PolarHBondContact O-N 3.21Å |
| 396 | E | 85 | Confident | 84.5 | Confident | 136 Ų | 136 | 51.2 Ų | 51.2 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63 | -47.3 | 173.8 | -70.8 | 173.2 | -167.5 | 0 | 0 | 111.7 | G392 A393 Y394 K398 A399 A400 | G392-E396 PolarHBondContact O-N 3.3Å; G392-E396 VanDerWaalsContact O-N 3.17Å; A393-E396 PolarHBondContact O-N 3.09Å; Y394-E396 VanDerWaalsContact C-N 3.31Å; Y394-E396 PolarHBondContact O-N 2.88Å; E396-K398 PolarHBondContact O-N 3.29Å; E396-A399 PolarHBondContact O-N 3.09Å; E396-A400 WeakPolarHBondContact O-CB 3.3Å; E396-A400 PolarHBondContact O-N 3.02Å |
| 397 | Y | 88.3 | Confident | 84.7 | Confident | 55 Ų | 55 | 51.4 Ų | 51.4 | 22% | 0.216 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 177.6 | -59.9 | -34.6 | 0 | 0 | 0 | 112.3 | L389 A393 Y394 A400 L401 I420 I422 | L389-Y397 HydrophobicContact CD1-CD2 4.42Å; L389-Y397 HydrophobicContact CD1-CE2 4.03Å; L389-Y397 HydrophobicContact CD2-CD2 4.03Å; L389-Y397 HydrophobicContact CD2-CE2 4.41Å; A393-Y397 HydrophobicContact CB-CE2 3.86Å; A393-Y397 WeakPolarHBondContact O-CD2 3.43Å; A393-Y397 WeakPolarHBondContact O-CE2 3.48Å; A393-Y397 PolarHBondContact O-N 3.17Å; Y394-Y397 PolarHBondContact O-N 3.39Å; Y397-A400 PolarHBondContact O-N 2.9Å; Y397-L401 WeakPolarHBondContact O-CB 3.32Å; Y397-L401 VanDerWaalsContact O-CG 3.22Å; Y397-L401 WeakPolarHBondContact O-CG 3.22Å; Y397-L401 PolarHBondContact O-N 3.04Å; Y397-I420 HydrophobicContact CD1-CB 3.68Å; Y397-I420 HydrophobicContact CD1-CG2 3.68Å; Y397-I420 HydrophobicContact CE1-CB 4.17Å; Y397-I420 HydrophobicContact CG-CB 4.17Å; Y397-I420 HydrophobicContact CG-CD1 4.47Å; Y397-I420 HydrophobicContact CG-CG2 4.07Å; Y397-I422 HydrophobicContact CD2-CD1 4.24Å; Y397-I422 HydrophobicContact CE1-CG2 4.17Å; Y397-I422 HydrophobicContact CE2-CD1 4.19Å; Y397-I422 HydrophobicContact CE2-CG2 3.86Å; Y397-I422 WeakPolarHBondContact OH-CG2 3.45Å |
| 398 | K | 86.6 | Confident | 84.6 | Confident | 35 Ų | 35 | 56 Ų | 56 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -49 | 174.5 | 178.1 | 178.4 | 178.6 | -177.1 | 0 | 110.6 | E380 Y394 L395 E396 A400 L401 V402 L434 | E380-K398 IonicContact OE1-NZ 2.8Å; E380-K398 PolarHBondContact OE1-NZ 3.02Å; Y394-K398 HydrophobicContact CE1-CB 4.44Å; Y394-K398 HydrophobicContact CE1-CD 4.05Å; Y394-K398 WeakPolarHBondContact O-CB 3.48Å; Y394-K398 PolarHBondContact O-N 3.05Å; L395-K398 PolarHBondContact O-N 3.24Å; E396-K398 PolarHBondContact O-N 3.29Å; K398-A400 VanDerWaalsContact C-N 3.35Å; K398-A400 PolarHBondContact O-N 3.37Å; K398-L401 PolarHBondContact O-N 3.22Å; K398-V402 HydrophobicContact CG-CG2 4.33Å; K398-V402 WeakPolarHBondContact O-CB 3.44Å; K398-V402 VanDerWaalsContact O-CG2 3.25Å; K398-V402 WeakPolarHBondContact O-CG2 3.44Å; K398-V402 PolarHBondContact O-N 3.42Å; K398-L434 HydrophobicContact CD-CD2 4.23Å; K398-L434 HydrophobicContact CG-CD2 3.92Å |
| 399 | A | 87.5 | Confident | 84.5 | Confident | 61 Ų | 61 | 52.6 Ų | 52.6 | 50% | 0.504 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L395 E396 N403 | L395-A399 WeakPolarHBondContact O-CB 3.04Å; L395-A399 PolarHBondContact O-N 3.21Å; E396-A399 PolarHBondContact O-N 3.09Å; A399-N403 WeakPolarHBondContact O-CB 2.98Å; A399-N403 PolarHBondContact O-N 3.19Å |
| 400 | A | 86.1 | Confident | 84.5 | Confident | 43 Ų | 43 | 52 Ų | 52 | 36% | 0.355 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E396 Y397 K398 E404 | E396-A400 WeakPolarHBondContact O-CB 3.3Å; E396-A400 PolarHBondContact O-N 3.02Å; Y397-A400 PolarHBondContact O-N 2.9Å; K398-A400 VanDerWaalsContact C-N 3.35Å; K398-A400 PolarHBondContact O-N 3.37Å; A400-E404 PolarHBondContact O-N 3.12Å; A400-E404 VanDerWaalsContact O-N 3.15Å |
| 401 | L | 86.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.4 | -39.6 | -179.3 | -66.2 | 173.1 | 0 | 0 | 0 | 112.6 | Y397 K398 C405 L411 A416 L419 I420 I430 L434 | Y397-L401 WeakPolarHBondContact O-CB 3.32Å; Y397-L401 VanDerWaalsContact O-CG 3.22Å; Y397-L401 WeakPolarHBondContact O-CG 3.22Å; Y397-L401 PolarHBondContact O-N 3.04Å; K398-L401 PolarHBondContact O-N 3.22Å; L401-C405 WeakPolarHBondContact O-CB 3.43Å; L401-C405 PolarHBondContact O-N 2.99Å; L401-L411 HydrophobicContact CB-CD2 4.09Å; L401-L411 HydrophobicContact CD2-CD2 3.66Å; L401-L411 HydrophobicContact CG-CD2 4.45Å; L401-A416 HydrophobicContact CD2-CB 3.64Å; L401-L419 HydrophobicContact CD2-CD1 4.37Å; L401-I420 HydrophobicContact CD1-CD1 4.41Å; L401-I420 HydrophobicContact CD1-CG2 4.49Å; L401-I420 HydrophobicContact CD2-CG2 4.1Å; L401-I420 HydrophobicContact CG-CG2 4.08Å; L401-I430 HydrophobicContact CD1-CG2 4.03Å; L401-L434 HydrophobicContact CB-CD1 4.15Å; L401-L434 HydrophobicContact CD1-CD1 3.76Å |
| 402 | V | 87.6 | Confident | 84.8 | Confident | 32 Ų | 32 | 56 Ų | 56 | 19% | 0.194 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.9 | -42.9 | 178 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | K398 E404 C405 N406 I440 | K398-V402 HydrophobicContact CG-CG2 4.33Å; K398-V402 WeakPolarHBondContact O-CB 3.44Å; K398-V402 VanDerWaalsContact O-CG2 3.25Å; K398-V402 WeakPolarHBondContact O-CG2 3.44Å; K398-V402 PolarHBondContact O-N 3.42Å; V402-E404 VanDerWaalsContact C-N 3.32Å; V402-E404 PolarHBondContact O-N 3.01Å; V402-C405 PolarHBondContact O-N 3.4Å; V402-N406 VanDerWaalsContact O-CG 3.32Å; V402-N406 PolarHBondContact O-N 3.29Å; V402-I440 HydrophobicContact CG2-CG2 4.01Å |
| 403 | N | 87.9 | Confident | 85.1 | Confident | 89 Ų | 89 | 56.4 Ų | 56.4 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.6 | -41 | 178.4 | -165.8 | 12 | 0 | 0 | 0 | 111.3 | A399 N406 K407 | A399-N403 WeakPolarHBondContact O-CB 2.98Å; A399-N403 PolarHBondContact O-N 3.19Å; N403-N406 PolarHBondContact O-N 3.11Å; N403-K407 WeakPolarHBondContact O-CG 3.46Å; N403-K407 PolarHBondContact O-N 3.29Å; N403-K407 VanDerWaalsContact O-N 3.12Å |
| 404 | E | 85.3 | Confident | 85.1 | Confident | 40 Ų | 40 | 58.7 Ų | 58.7 | 19% | 0.187 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.8 | -37.4 | 177.2 | -161.5 | 61.9 | -156.3 | 0 | 0 | 112.6 | A400 V402 N406 K407 Q408 L411 L419 | A400-E404 PolarHBondContact O-N 3.12Å; A400-E404 VanDerWaalsContact O-N 3.15Å; V402-E404 VanDerWaalsContact C-N 3.32Å; V402-E404 PolarHBondContact O-N 3.01Å; E404-N406 VanDerWaalsContact C-N 3.34Å; E404-N406 PolarHBondContact O-N 3.09Å; E404-K407 PolarHBondContact O-N 3.27Å; E404-Q408 PolarHBondContact O-N 3.01Å; E404-Q408 VanDerWaalsContact O-N 3.07Å; E404-Q408 PolarHBondContact OE1-NE2 3.46Å; E404-L411 HydrophobicContact CB-CD1 4.3Å; E404-L411 HydrophobicContact CG-CD1 4.11Å; E404-L419 HydrophobicContact CB-CD1 3.94Å; E404-L419 HydrophobicContact CG-CD1 3.75Å; E404-L419 HydrophobicContact CG-CD2 4.38Å |
| 405 | C | 86.6 | Confident | 84.9 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.027 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 173.7 | -169.8 | 0 | 0 | 0 | 0 | 112 | L401 V402 K407 Q408 G409 G410 L411 I440 T441 | L401-C405 WeakPolarHBondContact O-CB 3.43Å; L401-C405 PolarHBondContact O-N 2.99Å; V402-C405 PolarHBondContact O-N 3.4Å; C405-K407 VanDerWaalsContact C-N 3.32Å; C405-K407 PolarHBondContact O-N 3.31Å; C405-Q408 PolarHBondContact O-N 2.99Å; C405-G409 WeakPolarHBondContact O-CA 3.33Å; C405-G409 PolarHBondContact O-N 2.96Å; C405-G410 PolarHBondContact O-N 2.92Å; C405-L411 HydrophobicContact CB-CB 4.18Å; C405-I440 HydrophobicContact CB-CB 4.09Å; C405-I440 HydrophobicContact CB-CG2 3.82Å; C405-T441 PolarHBondContact SG-N 3.27Å; C405-T441 PolarHBondContact SG-OG1 3.47Å |
| 406 | N | 86.1 | Confident | 84.9 | Confident | 123 Ų | 123 | 59.5 Ų | 59.5 | 66% | 0.658 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.2 | -34.1 | 177.7 | -72.7 | -14.7 | 0 | 0 | 0 | 112.3 | V402 N403 E404 | V402-N406 VanDerWaalsContact O-CG 3.32Å; V402-N406 PolarHBondContact O-N 3.29Å; N403-N406 PolarHBondContact O-N 3.11Å; E404-N406 VanDerWaalsContact C-N 3.34Å; E404-N406 PolarHBondContact O-N 3.09Å |
| 407 | K | 84.2 | Confident | 84.9 | Confident | 139 Ų | 139 | 56.9 Ų | 56.9 | 60% | 0.604 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -70.3 | -38.9 | 176.2 | -72.7 | 174.2 | -173.6 | 175.6 | 0 | 113 | N403 E404 C405 | N403-K407 WeakPolarHBondContact O-CG 3.46Å; N403-K407 PolarHBondContact O-N 3.29Å; N403-K407 VanDerWaalsContact O-N 3.12Å; E404-K407 PolarHBondContact O-N 3.27Å; C405-K407 VanDerWaalsContact C-N 3.32Å; C405-K407 PolarHBondContact O-N 3.31Å |
| 408 | Q | 79.7 | Confident | 84.7 | Confident | 104 Ų | 104 | 57.4 Ų | 57.4 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -101.8 | -3.7 | -172.5 | -60.7 | -165.5 | 14.5 | 0 | 0 | 114.3 | E404 C405 G410 | E404-Q408 PolarHBondContact O-N 3.01Å; E404-Q408 VanDerWaalsContact O-N 3.07Å; E404-Q408 PolarHBondContact OE1-NE2 3.46Å; C405-Q408 PolarHBondContact O-N 2.99Å; Q408-G410 PolarHBondContact O-N 2.75Å |
| 409 | G | 77.3 | Confident | 84.5 | Confident | 65 Ų | 65 | 59.3 Ų | 59.3 | 67% | 0.67 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 74.5 | 1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | C405 T441 | C405-G409 WeakPolarHBondContact O-CA 3.33Å; C405-G409 PolarHBondContact O-N 2.96Å; G409-T441 PolarHBondContact O-OG1 3.29Å; G409-T441 VanDerWaalsContact O-OG1 3.11Å |
| 410 | G | 82.1 | Confident | 84.3 | Confident | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 171.9 | 163.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | C405 Q408 T441 | C405-G410 PolarHBondContact O-N 2.92Å; Q408-G410 PolarHBondContact O-N 2.75Å; G410-T441 CarbonylContact C-O 3.48Å; G410-T441 VanDerWaalsContact CA-O 3.28Å; G410-T441 WeakPolarHBondContact CA-O 3.4Å; G410-T441 WeakPolarHBondContact CA-OG1 3.46Å |
| 411 | L | 84.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -129.3 | 133.5 | -175.8 | -170.8 | 67.5 | 0 | 0 | 0 | 110.5 | L401 E404 C405 Q415 A416 L419 Y431 I440 T441 A443 | L401-L411 HydrophobicContact CB-CD2 4.09Å; L401-L411 HydrophobicContact CD2-CD2 3.66Å; L401-L411 HydrophobicContact CG-CD2 4.45Å; E404-L411 HydrophobicContact CB-CD1 4.3Å; E404-L411 HydrophobicContact CG-CD1 4.11Å; C405-L411 HydrophobicContact CB-CB 4.18Å; L411-Q415 HydrophobicContact CD1-CB 3.93Å; L411-A416 HydrophobicContact CD2-CB 4.08Å; L411-A416 HydrophobicContact CG-CB 4.47Å; L411-L419 HydrophobicContact CD1-CD1 4.01Å; L411-Y431 HydrophobicContact CB-CE2 4.44Å; L411-Y431 HydrophobicContact CD2-CD2 4.44Å; L411-Y431 HydrophobicContact CD2-CE2 4.32Å; L411-Y431 HydrophobicContact CG-CE2 4.3Å; L411-Y431 PolarHBondContact O-OH 3.48Å; L411-I440 HydrophobicContact CD2-CD1 4.42Å; L411-T441 PolarHBondContact N-O 3.41Å; L411-A443 PolarHBondContact O-N 3.3Å |
| 412 | R | 86.7 | Confident | 84 | Confident | 151 Ų | 151 | 65.7 Ų | 65.7 | 57% | 0.57 | 35% | 0.347 | S | S | * | . | trans | -92 | 147.5 | 171.2 | -65.4 | -176.9 | 176.4 | 169 | 2.7 | 111.1 | A414 Q415 A416 A443 | R412-A414 PolarHBondContact O-N 3.39Å; R412-A414 VanDerWaalsContact O-N 3.12Å; R412-Q415 HydrophobicContact CB-CG 4.37Å; R412-Q415 WeakPolarHBondContact O-CB 3.39Å; R412-Q415 PolarHBondContact O-N 3.32Å; R412-A416 PolarHBondContact O-N 3.49Å; R412-A443 HydrophobicContact CG-CB 4.07Å | ||
| 413 | L | 85.1 | Confident | 83.9 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 17% | 0.168 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.4 | -32.4 | 178.2 | -178 | 64 | 0 | 0 | 0 | 113.5 | R417 R428 Y431 | L413-R417 WeakPolarHBondContact O-CG 3.3Å; L413-R417 PolarHBondContact O-N 3.42Å; L413-R417 VanDerWaalsContact O-N 3.09Å; L413-R428 HydrophobicContact CD1-CB 4.39Å; L413-R428 HydrophobicContact CD2-CG 4.35Å; L413-Y431 HydrophobicContact CB-CD1 4.35Å; L413-Y431 HydrophobicContact CB-CE1 4.01Å; L413-Y431 HydrophobicContact CD1-CD1 3.68Å; L413-Y431 HydrophobicContact CD1-CD2 4.32Å; L413-Y431 HydrophobicContact CD1-CE1 4.22Å; L413-Y431 HydrophobicContact CD1-CG 3.72Å; L413-Y431 PolarHBondContact N-OH 3.47Å |
| 414 | A | 83.3 | Confident | 83.6 | Confident | 73 Ų | 73 | 67.5 Ų | 67.5 | 60% | 0.603 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -67 | -39.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R412 R417 A418 | R412-A414 PolarHBondContact O-N 3.39Å; R412-A414 VanDerWaalsContact O-N 3.12Å; A414-R417 PolarHBondContact O-N 3.34Å; A414-A418 PolarHBondContact O-N 3.26Å |
| 415 | Q | 82.6 | Confident | 83.4 | Confident | 66 Ų | 66 | 70.6 Ų | 70.6 | 31% | 0.308 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 175.5 | -65.5 | 168 | -41.1 | 0 | 0 | 110.5 | L411 R412 R417 A418 L419 | L411-Q415 HydrophobicContact CD1-CB 3.93Å; R412-Q415 HydrophobicContact CB-CG 4.37Å; R412-Q415 WeakPolarHBondContact O-CB 3.39Å; R412-Q415 PolarHBondContact O-N 3.32Å; Q415-R417 VanDerWaalsContact C-N 3.28Å; Q415-R417 PolarHBondContact O-N 2.94Å; Q415-A418 PolarHBondContact O-N 2.93Å; Q415-A418 VanDerWaalsContact O-N 3.1Å; Q415-L419 WeakPolarHBondContact O-CD1 3.11Å; Q415-L419 VanDerWaalsContact O-CG 3.3Å; Q415-L419 WeakPolarHBondContact O-CG 3.42Å; Q415-L419 PolarHBondContact O-N 3.17Å |
| 416 | A | 83.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -55.2 | -43 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L401 L411 R412 A418 L419 I420 T427 Y431 | L401-A416 HydrophobicContact CD2-CB 3.64Å; L411-A416 HydrophobicContact CD2-CB 4.08Å; L411-A416 HydrophobicContact CG-CB 4.47Å; R412-A416 PolarHBondContact O-N 3.49Å; A416-A418 PolarHBondContact O-N 3.21Å; A416-L419 PolarHBondContact O-N 3.45Å; A416-I420 WeakPolarHBondContact O-CG1 3.2Å; A416-I420 PolarHBondContact O-N 2.64Å; A416-T427 HydrophobicContact CB-CG2 4.37Å; A416-Y431 HydrophobicContact CB-CD2 3.75Å; A416-Y431 HydrophobicContact CB-CE2 4.26Å |
| 417 | R | 85.9 | Confident | 83.2 | Confident | 80 Ų | 80 | 67.9 Ų | 67.9 | 30% | 0.302 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 175.9 | -73.1 | 168.8 | -179.7 | 168.2 | -2.2 | 113.5 | L413 A414 Q415 L419 K421 T427 | L413-R417 WeakPolarHBondContact O-CG 3.3Å; L413-R417 PolarHBondContact O-N 3.42Å; L413-R417 VanDerWaalsContact O-N 3.09Å; A414-R417 PolarHBondContact O-N 3.34Å; Q415-R417 VanDerWaalsContact C-N 3.28Å; Q415-R417 PolarHBondContact O-N 2.94Å; R417-L419 VanDerWaalsContact C-N 3.33Å; R417-K421 PolarHBondContact O-N 2.95Å; R417-T427 HydrophobicContact CB-CG2 4.46Å; R417-T427 HydrophobicContact CG-CG2 3.75Å |
| 418 | A | 83.4 | Confident | 83.3 | Confident | 67 Ų | 67 | 66.8 Ų | 66.8 | 55% | 0.554 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -68.9 | -32.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A414 Q415 A416 K421 | A414-A418 PolarHBondContact O-N 3.26Å; Q415-A418 PolarHBondContact O-N 2.93Å; Q415-A418 VanDerWaalsContact O-N 3.1Å; A416-A418 PolarHBondContact O-N 3.21Å; A418-K421 WeakPolarHBondContact O-CG 3.49Å |
| 419 | L | 82.5 | Confident | 83.6 | Confident | 75 Ų | 75 | 67.4 Ų | 67.4 | 39% | 0.393 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -74.7 | -50.5 | -175.9 | -73.7 | 158.6 | 0 | 0 | 0 | 113.5 | L401 E404 L411 Q415 A416 R417 | L401-L419 HydrophobicContact CD2-CD1 4.37Å; E404-L419 HydrophobicContact CB-CD1 3.94Å; E404-L419 HydrophobicContact CG-CD1 3.75Å; E404-L419 HydrophobicContact CG-CD2 4.38Å; L411-L419 HydrophobicContact CD1-CD1 4.01Å; Q415-L419 WeakPolarHBondContact O-CD1 3.11Å; Q415-L419 VanDerWaalsContact O-CG 3.3Å; Q415-L419 WeakPolarHBondContact O-CG 3.42Å; Q415-L419 PolarHBondContact O-N 3.17Å; A416-L419 PolarHBondContact O-N 3.45Å; R417-L419 VanDerWaalsContact C-N 3.33Å |
| 420 | I | 83.4 | Confident | 84 | Confident | 11 Ų | 11 | 64.3 Ų | 64.3 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -95.8 | -10.4 | -171.7 | 64.5 | 171.4 | 0 | 0 | 0 | 114.1 | Y397 L401 A416 I422 T427 | Y397-I420 HydrophobicContact CD1-CB 3.68Å; Y397-I420 HydrophobicContact CD1-CG2 3.68Å; Y397-I420 HydrophobicContact CE1-CB 4.17Å; Y397-I420 HydrophobicContact CG-CB 4.17Å; Y397-I420 HydrophobicContact CG-CD1 4.47Å; Y397-I420 HydrophobicContact CG-CG2 4.07Å; L401-I420 HydrophobicContact CD1-CD1 4.41Å; L401-I420 HydrophobicContact CD1-CG2 4.49Å; L401-I420 HydrophobicContact CD2-CG2 4.1Å; L401-I420 HydrophobicContact CG-CG2 4.08Å; A416-I420 WeakPolarHBondContact O-CG1 3.2Å; A416-I420 PolarHBondContact O-N 2.64Å; I420-I422 HydrophobicContact CD1-CD1 3.66Å; I420-I422 HydrophobicContact CD1-CG1 3.74Å; I420-I422 HydrophobicContact CG1-CD1 4.4Å; I420-I422 HydrophobicContact CG1-CG1 4Å; I420-I422 WeakPolarHBondContact O-CG2 3.48Å; I420-I422 PolarHBondContact O-N 2.8Å; I420-T427 HydrophobicContact CD1-CG2 3.71Å; I420-T427 HydrophobicContact CG1-CG2 4Å |
| 421 | K | 81.5 | Confident | 84.2 | Confident | 187 Ų | 187 | 64.5 Ų | 64.5 | 81% | 0.813 | 32% | 0.32 | S | S | * | . | trans | 43.7 | 35.8 | 174.7 | -62.2 | -174.5 | 179.1 | 177.7 | 0 | 115.5 | R417 A418 | R417-K421 PolarHBondContact O-N 2.95Å; A418-K421 WeakPolarHBondContact O-CG 3.49Å | ||
| 422 | I | 85.1 | Confident | 84.3 | Confident | 39 Ų | 39 | 67.8 Ų | 67.8 | 20% | 0.2 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -104.2 | 176.4 | 172.5 | 68.9 | 177.3 | 0 | 0 | 0 | 111.4 | Y397 I420 V424 K426 T427 I430 | Y397-I422 HydrophobicContact CD2-CD1 4.24Å; Y397-I422 HydrophobicContact CE1-CG2 4.17Å; Y397-I422 HydrophobicContact CE2-CD1 4.19Å; Y397-I422 HydrophobicContact CE2-CG2 3.86Å; Y397-I422 WeakPolarHBondContact OH-CG2 3.45Å; I420-I422 HydrophobicContact CD1-CD1 3.66Å; I420-I422 HydrophobicContact CD1-CG1 3.74Å; I420-I422 HydrophobicContact CG1-CD1 4.4Å; I420-I422 HydrophobicContact CG1-CG1 4Å; I420-I422 WeakPolarHBondContact O-CG2 3.48Å; I420-I422 PolarHBondContact O-N 2.8Å; I422-V424 PolarHBondContact O-N 3.35Å; I422-K426 HydrophobicContact CD1-CB 3.95Å; I422-K426 HydrophobicContact CG1-CB 4.42Å; I422-T427 WeakPolarHBondContact CG1-OG1 3.45Å; I422-T427 PolarHBondContact O-OG1 2.92Å; I422-I430 HydrophobicContact CD1-CD1 3.72Å |
| 423 | D | 85.2 | Confident | 84.3 | Confident | 85 Ų | 85 | 61.4 Ų | 61.4 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | trans | -44 | 134.5 | 174.9 | 175.8 | -93.1 | 0 | 0 | 0 | 112.7 | N425 K426 T427 | D423-N425 PolarHBondContact O-N 3.29Å; D423-N425 WeakPolarHBondContact OD1-CA 3.45Å; D423-N425 VanDerWaalsContact OD1-CB 3.26Å; D423-N425 WeakPolarHBondContact OD1-CB 3.39Å; D423-N425 PolarHBondContact OD1-N 3.46Å; D423-K426 HydrophobicContact CB-CB 4.21Å; D423-K426 HydrophobicContact CB-CD 4.24Å; D423-K426 HydrophobicContact CB-CG 3.97Å; D423-K426 PolarHBondContact O-N 3.44Å; D423-K426 VanDerWaalsContact O-N 3.15Å; D423-K426 PolarHBondContact OD1-N 3.15Å; D423-T427 PolarHBondContact O-N 2.92Å; D423-T427 PolarHBondContact O-OG1 3.5Å | ||
| 424 | V | 81.1 | Confident | 84.3 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 45% | 0.448 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.2 | -32.4 | -171.3 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | I422 R428 | I422-V424 PolarHBondContact O-N 3.35Å; V424-R428 WeakPolarHBondContact O-CB 3.33Å; V424-R428 PolarHBondContact O-N 3.49Å |
| 425 | N | 81.7 | Confident | 84.5 | Confident | 106 Ų | 106 | 58.9 Ų | 58.9 | 57% | 0.567 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -79.1 | -38.3 | 178.8 | -59.7 | -49.3 | 0 | 0 | 0 | 111.4 | D423 R428 K429 | D423-N425 PolarHBondContact O-N 3.29Å; D423-N425 WeakPolarHBondContact OD1-CA 3.45Å; D423-N425 VanDerWaalsContact OD1-CB 3.26Å; D423-N425 WeakPolarHBondContact OD1-CB 3.39Å; D423-N425 PolarHBondContact OD1-N 3.46Å; N425-R428 PolarHBondContact O-N 2.81Å; N425-K429 WeakPolarHBondContact O-CG 3.41Å; N425-K429 PolarHBondContact O-N 2.99Å; N425-K429 VanDerWaalsContact O-N 3.08Å |
| 426 | K | 84.3 | Confident | 84.7 | Confident | 70 Ų | 70 | 64.6 Ų | 64.6 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 172.7 | -63.5 | -166.7 | 178.7 | -167.2 | 0 | 111.5 | V387 R388 I422 D423 R428 K429 I430 | V387-K426 HydrophobicContact CG1-CB 3.72Å; V387-K426 HydrophobicContact CG1-CD 3.98Å; V387-K426 HydrophobicContact CG1-CG 3.67Å; V387-K426 WeakPolarHBondContact O-CE 3.25Å; V387-K426 PolarHBondContact O-NZ 3.38Å; R388-K426 PolarHBondContact O-NZ 2.99Å; I422-K426 HydrophobicContact CD1-CB 3.95Å; I422-K426 HydrophobicContact CG1-CB 4.42Å; D423-K426 HydrophobicContact CB-CB 4.21Å; D423-K426 HydrophobicContact CB-CD 4.24Å; D423-K426 HydrophobicContact CB-CG 3.97Å; D423-K426 PolarHBondContact O-N 3.44Å; D423-K426 VanDerWaalsContact O-N 3.15Å; D423-K426 PolarHBondContact OD1-N 3.15Å; K426-R428 VanDerWaalsContact C-N 3.32Å; K426-R428 PolarHBondContact O-N 3.43Å; K426-K429 PolarHBondContact O-N 3.5Å; K426-I430 WeakPolarHBondContact O-CG1 3.33Å; K426-I430 PolarHBondContact O-N 3.26Å |
| 427 | T | 85 | Confident | 84.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.6 | -45.5 | 176.5 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | A416 R417 I420 I422 D423 I430 Y431 | A416-T427 HydrophobicContact CB-CG2 4.37Å; R417-T427 HydrophobicContact CB-CG2 4.46Å; R417-T427 HydrophobicContact CG-CG2 3.75Å; I420-T427 HydrophobicContact CD1-CG2 3.71Å; I420-T427 HydrophobicContact CG1-CG2 4Å; I422-T427 WeakPolarHBondContact CG1-OG1 3.45Å; I422-T427 PolarHBondContact O-OG1 2.92Å; D423-T427 PolarHBondContact O-N 2.92Å; D423-T427 PolarHBondContact O-OG1 3.5Å; T427-I430 PolarHBondContact O-N 3.35Å; T427-Y431 VanDerWaalsContact O-CB 3.25Å; T427-Y431 WeakPolarHBondContact O-CB 3.39Å; T427-Y431 PolarHBondContact O-N 3.46Å |
| 428 | R | 85.5 | Confident | 84.5 | Confident | 116 Ų | 116 | 67 Ų | 67 | 44% | 0.438 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 177.2 | -174.7 | -173 | -70.9 | -104.1 | 7.7 | 111.6 | L413 V424 N425 K426 I430 Y431 D432 | L413-R428 HydrophobicContact CD1-CB 4.39Å; L413-R428 HydrophobicContact CD2-CG 4.35Å; V424-R428 WeakPolarHBondContact O-CB 3.33Å; V424-R428 PolarHBondContact O-N 3.49Å; N425-R428 PolarHBondContact O-N 2.81Å; K426-R428 VanDerWaalsContact C-N 3.32Å; K426-R428 PolarHBondContact O-N 3.43Å; R428-I430 PolarHBondContact O-N 2.89Å; R428-Y431 PolarHBondContact O-N 3.43Å; R428-D432 WeakPolarHBondContact CG-OD2 3.45Å; R428-D432 WeakPolarHBondContact O-CB 3.4Å; R428-D432 PolarHBondContact O-N 2.96Å |
| 429 | K | 86.3 | Confident | 84.3 | Confident | 116 Ų | 116 | 68 Ų | 68 | 50% | 0.504 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 179.4 | -72.8 | -177.1 | 179.2 | -172.7 | 0 | 113.1 | V387 N425 K426 F433 | V387-K429 HydrophobicContact CG2-CB 3.94Å; V387-K429 HydrophobicContact CG2-CD 3.85Å; N425-K429 WeakPolarHBondContact O-CG 3.41Å; N425-K429 PolarHBondContact O-N 2.99Å; N425-K429 VanDerWaalsContact O-N 3.08Å; K426-K429 PolarHBondContact O-N 3.5Å; K429-F433 WeakPolarHBondContact O-CB 3.25Å; K429-F433 PolarHBondContact O-N 3.07Å; K429-F433 VanDerWaalsContact O-N 3.11Å |
| 430 | I | 85.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.2 | -46.6 | 175.8 | -63.9 | 165.3 | 0 | 0 | 0 | 110.2 | L389 Y394 L401 I422 K426 T427 R428 F433 L434 | L389-I430 HydrophobicContact CD2-CD1 3.72Å; Y394-I430 HydrophobicContact CE2-CG2 4.3Å; L401-I430 HydrophobicContact CD1-CG2 4.03Å; I422-I430 HydrophobicContact CD1-CD1 3.72Å; K426-I430 WeakPolarHBondContact O-CG1 3.33Å; K426-I430 PolarHBondContact O-N 3.26Å; T427-I430 PolarHBondContact O-N 3.35Å; R428-I430 PolarHBondContact O-N 2.89Å; I430-F433 PolarHBondContact O-N 3.15Å; I430-L434 HydrophobicContact CG2-CD1 3.93Å; I430-L434 HydrophobicContact CG2-CG 4.36Å; I430-L434 WeakPolarHBondContact O-CG 3.34Å; I430-L434 PolarHBondContact O-N 3.01Å |
| 431 | Y | 86.3 | Confident | 84.4 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 3% | 0.027 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 178.7 | 177.2 | -91 | 0 | 0 | 0 | 112.2 | L411 L413 A416 T427 R428 F433 L434 I435 I440 | L411-Y431 HydrophobicContact CB-CE2 4.44Å; L411-Y431 HydrophobicContact CD2-CD2 4.44Å; L411-Y431 HydrophobicContact CD2-CE2 4.32Å; L411-Y431 HydrophobicContact CG-CE2 4.3Å; L411-Y431 PolarHBondContact O-OH 3.48Å; L413-Y431 HydrophobicContact CB-CD1 4.35Å; L413-Y431 HydrophobicContact CB-CE1 4.01Å; L413-Y431 HydrophobicContact CD1-CD1 3.68Å; L413-Y431 HydrophobicContact CD1-CD2 4.32Å; L413-Y431 HydrophobicContact CD1-CE1 4.22Å; L413-Y431 HydrophobicContact CD1-CG 3.72Å; L413-Y431 PolarHBondContact N-OH 3.47Å; A416-Y431 HydrophobicContact CB-CD2 3.75Å; A416-Y431 HydrophobicContact CB-CE2 4.26Å; T427-Y431 VanDerWaalsContact O-CB 3.25Å; T427-Y431 WeakPolarHBondContact O-CB 3.39Å; T427-Y431 PolarHBondContact O-N 3.46Å; R428-Y431 PolarHBondContact O-N 3.43Å; Y431-F433 VanDerWaalsContact C-N 3.3Å; Y431-F433 PolarHBondContact O-N 3.43Å; Y431-L434 PolarHBondContact O-N 2.9Å; Y431-I435 HydrophobicContact CD1-CD1 3.75Å; Y431-I435 HydrophobicContact CE1-CD1 3.17Å; Y431-I435 HydrophobicContact CE1-CG1 4.31Å; Y431-I435 HydrophobicContact CE2-CD1 4.26Å; Y431-I435 HydrophobicContact CG-CD1 4.49Å; Y431-I435 VanDerWaalsContact CZ-CD1 3.47Å; Y431-I435 WeakPolarHBondContact O-CG1 3.28Å; Y431-I435 PolarHBondContact O-N 2.73Å; Y431-I440 HydrophobicContact CD2-CD1 3.63Å; Y431-I440 HydrophobicContact CE2-CD1 3.89Å; Y431-I440 HydrophobicContact CG-CD1 4.28Å |
| 432 | D | 86.9 | Confident | 84.3 | Confident | 68 Ų | 68 | 67 Ų | 67 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 178.4 | -66.5 | -20.4 | 0 | 0 | 0 | 111.8 | R428 R436 | R428-D432 WeakPolarHBondContact CG-OD2 3.45Å; R428-D432 WeakPolarHBondContact O-CB 3.4Å; R428-D432 PolarHBondContact O-N 2.96Å; D432-R436 WeakPolarHBondContact O-CB 3.34Å; D432-R436 PolarHBondContact O-N 2.96Å; D432-R436 VanDerWaalsContact O-N 3.09Å |
| 433 | F | 87.4 | Confident | 83.6 | Confident | 17 Ų | 17 | 69.1 Ų | 69.1 | 8% | 0.075 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67 | -45.7 | 174.1 | 177 | -92 | 0 | 0 | 0 | 112 | K379 E380 L383 Y394 K429 I430 Y431 I435 R436 E437 | K379-F433 HydrophobicContact CB-CE2 4.15Å; K379-F433 HydrophobicContact CB-CZ 4.05Å; E380-F433 HydrophobicContact CG-CE1 4.04Å; E380-F433 HydrophobicContact CG-CZ 4.04Å; L383-F433 HydrophobicContact CD1-CB 4.09Å; L383-F433 HydrophobicContact CD1-CD2 4.2Å; L383-F433 HydrophobicContact CD1-CG 4.2Å; L383-F433 HydrophobicContact CD2-CB 3.91Å; L383-F433 HydrophobicContact CD2-CD1 3.65Å; L383-F433 HydrophobicContact CD2-CD2 4.17Å; L383-F433 HydrophobicContact CD2-CE1 4.17Å; L383-F433 HydrophobicContact CD2-CG 3.64Å; L383-F433 HydrophobicContact CG-CG 4.42Å; Y394-F433 WeakPolarHBondContact OH-CE1 3.2Å; K429-F433 WeakPolarHBondContact O-CB 3.25Å; K429-F433 PolarHBondContact O-N 3.07Å; K429-F433 VanDerWaalsContact O-N 3.11Å; I430-F433 PolarHBondContact O-N 3.15Å; Y431-F433 VanDerWaalsContact C-N 3.3Å; Y431-F433 PolarHBondContact O-N 3.43Å; F433-I435 VanDerWaalsContact C-N 3.32Å; F433-I435 PolarHBondContact O-N 3.43Å; F433-R436 PolarHBondContact O-N 3.12Å; F433-R436 VanDerWaalsContact O-N 3.15Å; F433-E437 HydrophobicContact CE1-CG 4.06Å; F433-E437 HydrophobicContact CE2-CG 4.1Å; F433-E437 HydrophobicContact CZ-CG 3.84Å; F433-E437 PolarHBondContact O-N 3.11Å |
| 434 | L | 85 | Confident | 83.5 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.4 | -32.9 | 179.7 | -68.8 | 175.3 | 0 | 0 | 0 | 112.4 | K398 L401 I430 Y431 G438 Y439 I440 | K398-L434 HydrophobicContact CD-CD2 4.23Å; K398-L434 HydrophobicContact CG-CD2 3.92Å; L401-L434 HydrophobicContact CB-CD1 4.15Å; L401-L434 HydrophobicContact CD1-CD1 3.76Å; I430-L434 HydrophobicContact CG2-CD1 3.93Å; I430-L434 HydrophobicContact CG2-CG 4.36Å; I430-L434 WeakPolarHBondContact O-CG 3.34Å; I430-L434 PolarHBondContact O-N 3.01Å; Y431-L434 PolarHBondContact O-N 2.9Å; L434-G438 PolarHBondContact O-N 3.42Å; L434-Y439 HydrophobicContact CD2-CD2 3.87Å; L434-Y439 HydrophobicContact CD2-CG 4.25Å; L434-Y439 PolarHBondContact O-N 2.93Å; L434-I440 HydrophobicContact CB-CD1 3.68Å; L434-I440 HydrophobicContact CB-CG1 3.73Å; L434-I440 HydrophobicContact CB-CG2 4.42Å; L434-I440 HydrophobicContact CD1-CD1 4.44Å; L434-I440 PolarHBondContact O-N 3.48Å |
| 435 | I | 86.2 | Confident | 83.6 | Confident | 53 Ų | 53 | 68.1 Ų | 68.1 | 27% | 0.272 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.8 | -46 | 170.3 | -71.5 | 175.1 | 0 | 0 | 0 | 110.6 | Y431 F433 E437 G438 I440 K442 | Y431-I435 HydrophobicContact CD1-CD1 3.75Å; Y431-I435 HydrophobicContact CE1-CD1 3.17Å; Y431-I435 HydrophobicContact CE1-CG1 4.31Å; Y431-I435 HydrophobicContact CE2-CD1 4.26Å; Y431-I435 HydrophobicContact CG-CD1 4.49Å; Y431-I435 VanDerWaalsContact CZ-CD1 3.47Å; Y431-I435 WeakPolarHBondContact O-CG1 3.28Å; Y431-I435 PolarHBondContact O-N 2.73Å; F433-I435 VanDerWaalsContact C-N 3.32Å; F433-I435 PolarHBondContact O-N 3.43Å; I435-E437 VanDerWaalsContact C-N 3.35Å; I435-E437 PolarHBondContact O-N 3.28Å; I435-G438 PolarHBondContact O-N 3.29Å; I435-G438 VanDerWaalsContact O-N 3.07Å; I435-I440 HydrophobicContact CG1-CD1 3.93Å; I435-I440 HydrophobicContact CG1-CG1 3.62Å; I435-K442 HydrophobicContact CD1-CB 4.07Å; I435-K442 HydrophobicContact CD1-CG 4.43Å |
| 436 | R | 87.4 | Confident | 83.7 | Confident | 186 Ų | 186 | 65.9 Ų | 65.9 | 70% | 0.702 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.3 | -39.7 | -176.6 | -172 | -176.8 | -61.2 | 132.8 | 3.6 | 112.6 | D432 F433 G438 | D432-R436 WeakPolarHBondContact O-CB 3.34Å; D432-R436 PolarHBondContact O-N 2.96Å; D432-R436 VanDerWaalsContact O-N 3.09Å; F433-R436 PolarHBondContact O-N 3.12Å; F433-R436 VanDerWaalsContact O-N 3.15Å; R436-G438 VanDerWaalsContact C-N 3.25Å; R436-G438 PolarHBondContact O-N 3.45Å |
| 437 | E | 82.6 | Confident | 83.7 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 33% | 0.327 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 1.8 | 176.7 | -64.1 | -68.7 | 133 | 0 | 0 | 112.8 | K379 F433 I435 Y439 | K379-E437 WeakPolarHBondContact CD-OE1 3.38Å; K379-E437 VanDerWaalsContact NZ-CD 3.29Å; K379-E437 IonicContact NZ-OE1 3.14Å; K379-E437 PolarHBondContact NZ-OE1 2.96Å; K379-E437 IonicContact NZ-OE2 3.41Å; K379-E437 PolarHBondContact NZ-OE2 2.94Å; F433-E437 HydrophobicContact CE1-CG 4.06Å; F433-E437 HydrophobicContact CE2-CG 4.1Å; F433-E437 HydrophobicContact CZ-CG 3.84Å; F433-E437 PolarHBondContact O-N 3.11Å; I435-E437 VanDerWaalsContact C-N 3.35Å; I435-E437 PolarHBondContact O-N 3.28Å; E437-Y439 HydrophobicContact CB-CD2 3.65Å; E437-Y439 HydrophobicContact CB-CE2 3.62Å; E437-Y439 HydrophobicContact CG-CE2 4.46Å; E437-Y439 PolarHBondContact O-N 2.9Å |
| 438 | G | 81.4 | Confident | 83.6 | Confident | 61 Ų | 61 | 69.8 Ų | 69.8 | 63% | 0.629 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 14.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L434 I435 R436 | L434-G438 PolarHBondContact O-N 3.42Å; I435-G438 PolarHBondContact O-N 3.29Å; I435-G438 VanDerWaalsContact O-N 3.07Å; R436-G438 VanDerWaalsContact C-N 3.25Å; R436-G438 PolarHBondContact O-N 3.45Å |
| 439 | Y | 81.1 | Confident | 83.5 | Confident | 87 Ų | 87 | 66.7 Ų | 66.7 | 34% | 0.341 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -76.8 | -24.5 | 178.5 | -69 | -64.9 | 0 | 0 | 0 | 113.6 | L434 E437 | L434-Y439 HydrophobicContact CD2-CD2 3.87Å; L434-Y439 HydrophobicContact CD2-CG 4.25Å; L434-Y439 PolarHBondContact O-N 2.93Å; E437-Y439 HydrophobicContact CB-CD2 3.65Å; E437-Y439 HydrophobicContact CB-CE2 3.62Å; E437-Y439 HydrophobicContact CG-CE2 4.46Å; E437-Y439 PolarHBondContact O-N 2.9Å |
| 440 | I | 84.4 | Confident | 83.3 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -135.3 | 144.1 | 175.9 | 64.4 | 179.2 | 0 | 0 | 0 | 110.4 | V402 C405 L411 Y431 L434 I435 | V402-I440 HydrophobicContact CG2-CG2 4.01Å; C405-I440 HydrophobicContact CB-CB 4.09Å; C405-I440 HydrophobicContact CB-CG2 3.82Å; L411-I440 HydrophobicContact CD2-CD1 4.42Å; Y431-I440 HydrophobicContact CD2-CD1 3.63Å; Y431-I440 HydrophobicContact CE2-CD1 3.89Å; Y431-I440 HydrophobicContact CG-CD1 4.28Å; L434-I440 HydrophobicContact CB-CD1 3.68Å; L434-I440 HydrophobicContact CB-CG1 3.73Å; L434-I440 HydrophobicContact CB-CG2 4.42Å; L434-I440 HydrophobicContact CD1-CD1 4.44Å; L434-I440 PolarHBondContact O-N 3.48Å; I435-I440 HydrophobicContact CG1-CD1 3.93Å; I435-I440 HydrophobicContact CG1-CG1 3.62Å |
| 441 | T | 82.6 | Confident | 83.1 | Confident | 83 Ų | 83 | 68.1 Ų | 68.1 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | trans | -95.7 | 138.4 | 174.2 | 45.3 | 0 | 0 | 0 | 0 | 110.1 | C405 G409 G410 L411 A443 | C405-T441 PolarHBondContact SG-N 3.27Å; C405-T441 PolarHBondContact SG-OG1 3.47Å; G409-T441 PolarHBondContact O-OG1 3.29Å; G409-T441 VanDerWaalsContact O-OG1 3.11Å; G410-T441 CarbonylContact C-O 3.48Å; G410-T441 VanDerWaalsContact CA-O 3.28Å; G410-T441 WeakPolarHBondContact CA-O 3.4Å; G410-T441 WeakPolarHBondContact CA-OG1 3.46Å; L411-T441 PolarHBondContact N-O 3.41Å; T441-A443 PolarHBondContact O-N 3.07Å | ||
| 442 | K | 78.9 | Confident | 82.8 | Confident | 165 Ų | 165 | 73.2 Ų | 73.2 | 72% | 0.717 | 39% | 0.387 | S | S | * | . | B | Isolated β-bridge | trans | -78.3 | 118.2 | 176.8 | -173.1 | 178.2 | 177.7 | -173.9 | 0 | 109.3 | I435 | I435-K442 HydrophobicContact CD1-CB 4.07Å; I435-K442 HydrophobicContact CD1-CG 4.43Å |
| 443 | A | 70.1 | Confident | 82.5 | Confident | 83 Ų | 83 | 73.6 Ų | 73.6 | 69% | 0.686 | 39% | 0.389 | S | S | * | . | trans | -83.4 | 0 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L411 R412 T441 | L411-A443 PolarHBondContact O-N 3.3Å; R412-A443 HydrophobicContact CG-CB 4.07Å; T441-A443 PolarHBondContact O-N 3.07Å |
Retrieved 443 of 443 residues in 743.6 ms
(Link to these results)