| 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 | 39.5 | Very low | 75.3 | Confident | 112 Ų | 112 | 53 Ų | 53 | 55% | 0.552 | 25% | 0.251 | S | S | * | . | 0 | 141.1 | 0 | -75.8 | 170.9 | -158.5 | 0 | 0 | 105.9 | V3 M717 | M1-V3 PolarHBondContact O-N 3.26Å; M1-M717 HydrophobicContact CE-CB 4.02Å | |||
| 2 | Q | 46.7 | Very low | 76.6 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | trans | -56.5 | 134.3 | 175.5 | -77 | -178.1 | 10.4 | 0 | 0 | 108.7 | E4 I522 | Q2-E4 PolarHBondContact O-N 2.86Å; Q2-I522 HydrophobicContact CB-CG2 4.14Å; Q2-I522 HydrophobicContact CG-CG2 3.62Å | ||
| 3 | V | 52.7 | Low | 77.4 | Confident | 37 Ų | 37 | 54.7 Ų | 54.7 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | trans | -49.4 | 120.7 | 171.7 | 179.7 | 0 | 0 | 0 | 0 | 107.4 | M1 Y5 S334 | M1-V3 PolarHBondContact O-N 3.26Å; V3-Y5 HydrophobicContact CB-CE1 4.26Å; V3-Y5 HydrophobicContact CB-CE2 4.48Å; V3-Y5 HydrophobicContact CG1-CD1 4.34Å; V3-Y5 HydrophobicContact CG1-CE1 4.25Å; V3-Y5 VanDerWaalsContact O-CD2 3.22Å; V3-Y5 WeakPolarHBondContact O-CD2 3.32Å; V3-Y5 PolarHBondContact O-N 3.34Å; V3-S334 WeakPolarHBondContact CG2-OG 3.4Å | ||
| 4 | E | 64.5 | Low | 78.2 | Confident | 124 Ų | 124 | 53.9 Ų | 53.9 | 58% | 0.579 | 26% | 0.259 | S | S | * | . | trans | -70.7 | 85.6 | 176.3 | -169.6 | 179.3 | 178.2 | 0 | 0 | 107.7 | Q2 K6 K45 | Q2-E4 PolarHBondContact O-N 2.86Å; E4-K6 PolarHBondContact O-N 3.44Å; E4-K45 WeakPolarHBondContact OE1-CE 3.34Å; E4-K45 IonicContact OE1-NZ 3.11Å; E4-K45 PolarHBondContact OE1-NZ 3.1Å | ||
| 5 | Y | 77.2 | Confident | 78.9 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 11% | 0.114 | 27% | 0.268 | C | S | . | . | trans | -58.3 | 130.1 | -179.9 | -63.7 | -73.8 | 0 | 0 | 0 | 109.5 | V3 L36 A66 K69 N277 | V3-Y5 HydrophobicContact CB-CE1 4.26Å; V3-Y5 HydrophobicContact CB-CE2 4.48Å; V3-Y5 HydrophobicContact CG1-CD1 4.34Å; V3-Y5 HydrophobicContact CG1-CE1 4.25Å; V3-Y5 VanDerWaalsContact O-CD2 3.22Å; V3-Y5 WeakPolarHBondContact O-CD2 3.32Å; V3-Y5 PolarHBondContact O-N 3.34Å; Y5-L36 WeakPolarHBondContact O-CD1 3.24Å; Y5-A66 WeakPolarHBondContact CE1-O 3.05Å; Y5-K69 HydrophobicContact CD1-CB 3.94Å; Y5-K69 HydrophobicContact CD2-CB 3.93Å; Y5-K69 HydrophobicContact CD2-CD 4.28Å; Y5-K69 HydrophobicContact CD2-CG 3.92Å; Y5-K69 HydrophobicContact CE2-CB 4.5Å; Y5-K69 HydrophobicContact CE2-CG 4.22Å; Y5-K69 HydrophobicContact CG-CB 3.64Å; Y5-K69 HydrophobicContact CG-CG 4.16Å; Y5-N277 VanDerWaalsContact CE2-ND2 3.31Å; Y5-N277 WeakPolarHBondContact CE2-ND2 3.46Å; Y5-N277 WeakPolarHBondContact OH-CB 3.49Å; Y5-N277 PolarHBondContact OH-ND2 3.03Å | ||
| 6 | K | 84.6 | Confident | 79.6 | Confident | 97 Ų | 97 | 66.2 Ų | 66.2 | 42% | 0.422 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -88 | -26.9 | 174.2 | -64.7 | 176.1 | -174.3 | 161.7 | 0 | 110.9 | E4 L36 E67 | E4-K6 PolarHBondContact O-N 3.44Å; K6-L36 PolarHBondContact O-N 3.38Å; K6-E67 WeakPolarHBondContact CE-OE1 3.45Å; K6-E67 PolarHBondContact N-O 3.18Å; K6-E67 IonicContact NZ-OE1 2.52Å; K6-E67 PolarHBondContact NZ-OE1 3.27Å |
| 7 | F | 92.2 | Very high | 80.1 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 160.1 | -174.8 | -48.7 | -73.3 | 0 | 0 | 0 | 111.2 | A34 I35 F55 A60 H61 V62 E67 I68 K69 | F7-A34 CarbonylContact C-O 3.56Å; F7-A34 WeakPolarHBondContact CA-O 3.47Å; F7-I35 HydrophobicContact CD1-CG1 4.16Å; F7-I35 HydrophobicContact CE1-CG1 4.14Å; F7-F55 AromaticContact CD1-CE2 3.77Å; F7-F55 HydrophobicContact CD1-CE2 3.77Å; F7-F55 AromaticContact CD1-CZ 3.6Å; F7-F55 HydrophobicContact CD1-CZ 3.6Å; F7-F55 HydrophobicContact CE1-CE2 4.13Å; F7-F55 AromaticContact CE1-CZ 3.84Å; F7-F55 HydrophobicContact CE1-CZ 3.84Å; F7-F55 HydrophobicContact CG-CZ 4.24Å; F7-A60 HydrophobicContact CE1-CB 4.25Å; F7-H61 WeakPolarHBondContact CZ-O 3.46Å; F7-V62 HydrophobicContact CD2-CG1 4.2Å; F7-V62 HydrophobicContact CD2-CG2 3.92Å; F7-V62 HydrophobicContact CE1-CG2 4.29Å; F7-V62 HydrophobicContact CE2-CB 4.15Å; F7-V62 HydrophobicContact CE2-CG1 4.2Å; F7-V62 HydrophobicContact CE2-CG2 3.68Å; F7-V62 HydrophobicContact CG-CG2 4.34Å; F7-V62 HydrophobicContact CZ-CG2 3.87Å; F7-E67 HydrophobicContact CD2-CB 4.01Å; F7-E67 HydrophobicContact CE2-CB 4.34Å; F7-E67 PolarHBondContact N-O 3.34Å; F7-I68 HydrophobicContact CB-CB 4.46Å; F7-I68 HydrophobicContact CB-CG1 4.14Å; F7-I68 HydrophobicContact CB-CG2 4.42Å; F7-I68 HydrophobicContact CD2-CG1 4.47Å; F7-K69 WeakPolarHBondContact O-CB 3.48Å; F7-K69 PolarHBondContact O-N 2.88Å |
| 8 | D | 92.3 | Very high | 80.9 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 146.3 | 174.2 | -162.9 | -6.6 | 0 | 0 | 0 | 109.1 | I33 A34 L36 W49 K69 N70 | D8-I33 CarbonylContact O-C 3.44Å; D8-I33 WeakPolarHBondContact O-CA 3.4Å; D8-A34 HydrophobicContact CB-CB 4.33Å; D8-A34 PolarHBondContact N-O 2.88Å; D8-A34 PolarHBondContact O-N 3.2Å; D8-L36 HydrophobicContact CB-CD1 4.33Å; D8-L36 HydrophobicContact CB-CD2 4.03Å; D8-L36 HydrophobicContact CB-CG 4.26Å; D8-W49 HydrophobicContact CB-CH2 4.35Å; D8-K69 HydrophobicContact CB-CB 4.21Å; D8-N70 PolarHBondContact OD1-ND2 3.41Å |
| 9 | V | 93.9 | Very high | 81.6 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 137.6 | 175.8 | 67.5 | 0 | 0 | 0 | 0 | 110.2 | L31 I33 I68 K69 N70 F71 I74 I82 | V9-L31 HydrophobicContact CG2-CD1 3.64Å; V9-I33 HydrophobicContact CG2-CG1 4.15Å; V9-I68 HydrophobicContact CB-CG2 3.88Å; V9-I68 HydrophobicContact CG1-CG2 3.72Å; V9-K69 WeakPolarHBondContact CG1-O 3.47Å; V9-K69 PolarHBondContact N-O 3.42Å; V9-K69 VanDerWaalsContact N-O 3.1Å; V9-N70 WeakPolarHBondContact O-CB 3.25Å; V9-F71 HydrophobicContact CG1-CB 4.49Å; V9-I74 HydrophobicContact CG1-CD1 4.27Å; V9-I74 HydrophobicContact CG1-CG2 4.04Å; V9-I74 HydrophobicContact CG2-CD1 4.1Å; V9-I74 HydrophobicContact CG2-CG2 4.2Å; V9-I82 HydrophobicContact CG2-CD1 3.92Å |
| 10 | D | 91.9 | Very high | 82.2 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 165.6 | 178.6 | -163.5 | 6.8 | 0 | 0 | 0 | 109.8 | K13 R32 W49 | D10-K13 VanDerWaalsContact OD2-CE 3.26Å; D10-K13 WeakPolarHBondContact OD2-CE 3.24Å; D10-K13 IonicContact OD2-NZ 2.81Å; D10-R32 PolarHBondContact N-O 2.8Å; D10-R32 VanDerWaalsContact N-O 3.16Å; D10-R32 VanDerWaalsContact O-CG 3.23Å; D10-R32 WeakPolarHBondContact O-CG 3.45Å; D10-R32 PolarHBondContact O-N 3.29Å; D10-R32 IonicContact OD2-NH2 3.58Å; D10-W49 HydrophobicContact CB-CH2 3.69Å; D10-W49 HydrophobicContact CB-CZ3 4.09Å |
| 11 | Y | 92.8 | Very high | 82.7 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 136.3 | 162.2 | -63.9 | -73.1 | 0 | 0 | 0 | 109.2 | K13 N29 S30 L31 I74 R75 D78 W216 | Y11-K13 PolarHBondContact O-N 3.25Å; Y11-K13 VanDerWaalsContact O-N 3.13Å; Y11-N29 WeakPolarHBondContact CD1-O 3.31Å; Y11-S30 WeakPolarHBondContact CA-O 3.1Å; Y11-L31 HydrophobicContact CE1-CB 4.32Å; Y11-L31 HydrophobicContact CE1-CD1 4.14Å; Y11-I74 HydrophobicContact CE2-CB 4.04Å; Y11-I74 HydrophobicContact CE2-CG2 4.2Å; Y11-R75 VanDerWaalsContact OH-CB 3.3Å; Y11-R75 WeakPolarHBondContact OH-CB 3.13Å; Y11-R75 WeakPolarHBondContact OH-CG 3.16Å; Y11-R75 PolarHBondContact OH-N 3.44Å; Y11-D78 WeakPolarHBondContact CE1-OD2 3.12Å; Y11-D78 PolarHBondContact OH-OD2 3.47Å; Y11-W216 HydrophobicContact CD2-CH2 4.01Å; Y11-W216 AromaticContact CE2-CH2 3.55Å; Y11-W216 HydrophobicContact CE2-CH2 3.55Å; Y11-W216 AromaticContact CE2-CZ2 3.81Å; Y11-W216 HydrophobicContact CE2-CZ2 3.81Å |
| 12 | A | 91.2 | Very high | 85.3 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | trans | -62 | 119.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | S14 I26 N27 Q28 N29 S30 R32 | A12-S14 VanDerWaalsContact C-N 3.26Å; A12-S14 PolarHBondContact O-N 3.38Å; A12-I26 HydrophobicContact CB-CG2 3.82Å; A12-N27 VanDerWaalsContact CB-O 3.25Å; A12-N27 WeakPolarHBondContact CB-O 3.43Å; A12-Q28 CarbonylContact O-C 3.49Å; A12-Q28 WeakPolarHBondContact O-CA 3.43Å; A12-N29 PolarHBondContact O-N 3.19Å; A12-S30 PolarHBondContact N-O 3.43Å; A12-R32 HydrophobicContact CB-CG 4.4Å | ||
| 13 | K | 86.8 | Confident | 87.6 | Confident | 127 Ų | 127 | 64.2 Ų | 64.2 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -71.6 | -19.1 | -177.1 | -59.9 | 179.1 | -176.1 | 174.3 | 0 | 114.1 | D10 Y11 | D10-K13 VanDerWaalsContact OD2-CE 3.26Å; D10-K13 WeakPolarHBondContact OD2-CE 3.24Å; D10-K13 IonicContact OD2-NZ 2.81Å; Y11-K13 PolarHBondContact O-N 3.25Å; Y11-K13 VanDerWaalsContact O-N 3.13Å |
| 14 | S | 88 | Confident | 89.5 | Confident | 43 Ų | 43 | 66.8 Ų | 66.8 | 30% | 0.301 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -162.4 | 167.5 | 177.4 | 66.2 | 0 | 0 | 0 | 0 | 109.8 | A12 R16 | A12-S14 VanDerWaalsContact C-N 3.26Å; A12-S14 PolarHBondContact O-N 3.38Å; S14-R16 PolarHBondContact O-N 3.16Å; S14-R16 PolarHBondContact OG-N 2.85Å |
| 15 | N | 89.3 | Confident | 91 | Very high | 75 Ų | 75 | 65.7 Ų | 65.7 | 40% | 0.401 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 1 | 175.5 | -60.8 | -19.8 | 0 | 0 | 0 | 113.9 | S17 N27 Q28 | N15-S17 PolarHBondContact O-N 3.38Å; N15-N27 WeakPolarHBondContact OD1-CA 3.48Å; N15-Q28 VanDerWaalsContact OD1-CB 3.27Å; N15-Q28 WeakPolarHBondContact OD1-CB 3.24Å; N15-Q28 PolarHBondContact OD1-N 3.48Å |
| 16 | R | 89.4 | Confident | 91.8 | Very high | 230 Ų | 230 | 64.3 Ų | 64.3 | 87% | 0.868 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -17.3 | -170.8 | -62.3 | -175.4 | -177.2 | -179.1 | 0.8 | 114.5 | S14 | S14-R16 PolarHBondContact O-N 3.16Å; S14-R16 PolarHBondContact OG-N 2.85Å |
| 17 | S | 88.8 | Confident | 92.1 | Very high | 21 Ų | 21 | 64.8 Ų | 64.8 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 129.7 | -179.7 | 53.3 | 0 | 0 | 0 | 0 | 111.5 | N15 I26 R32 | N15-S17 PolarHBondContact O-N 3.38Å; S17-I26 WeakPolarHBondContact O-CB 3.38Å; S17-I26 PolarHBondContact O-N 3.36Å; S17-R32 PolarHBondContact OG-NH1 3.47Å |
| 18 | K | 93.6 | Very high | 92.1 | Very high | 133 Ų | 133 | 69 Ų | 69 | 58% | 0.578 | 33% | 0.332 | S | S | * | . | B | Isolated β-bridge | trans | -95 | 142.1 | 172.7 | -64.2 | -177.4 | -179.8 | -176.5 | 0 | 111 | E25 | K18-E25 HydrophobicContact CG-CG 4.34Å |
| 19 | C | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 130.5 | 176 | 173 | 0 | 0 | 0 | 0 | 111.4 | K21 C22 K23 V24 I26 H51 C54 | C19-K21 PolarHBondContact O-N 3.24Å; C19-C22 VanDerWaalsContact CB-SG 3.56Å; C19-K23 WeakPolarHBondContact O-CA 3.39Å; C19-K23 PolarHBondContact O-N 3.36Å; C19-V24 WeakPolarHBondContact CB-O 3.49Å; C19-V24 PolarHBondContact N-O 3.01Å; C19-I26 HydrophobicContact CB-CD1 4.27Å; C19-I26 HydrophobicContact CB-CG1 4.04Å; C19-H51 WeakPolarHBondContact CB-CE1 3.3Å; C19-H51 WeakPolarHBondContact CB-ND1 3.46Å; C19-H51 PolarHBondContact SG-N 3.33Å; C19-H51 VanDerWaalsContact SG-N 3.39Å; C19-H51 PolarHBondContact SG-ND1 3.45Å; C19-H51 VanDerWaalsContact SG-ND1 3.36Å; C19-C54 WeakPolarHBondContact SG-CB 3.49Å; C19-C54 VanDerWaalsContact SG-SG 3.66Å |
| 20 | N | 94.1 | Very high | 91.8 | Very high | 56 Ų | 56 | 75.3 Ų | 75.3 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -19.5 | -176.8 | -86.2 | -88.4 | 0 | 0 | 0 | 113.9 | K23 W49 F50 | N20-K23 PolarHBondContact O-NZ 2.65Å; N20-W49 PolarHBondContact N-O 2.93Å; N20-W49 PolarHBondContact ND2-N 3.45Å; N20-W49 PolarHBondContact ND2-O 3.42Å; N20-F50 HydrophobicContact CB-CD1 3.99Å; N20-F50 HydrophobicContact CB-CD2 4.48Å; N20-F50 HydrophobicContact CB-CE1 3.53Å; N20-F50 HydrophobicContact CB-CE2 4.07Å; N20-F50 HydrophobicContact CB-CG 4.44Å; N20-F50 HydrophobicContact CB-CZ 3.57Å |
| 21 | K | 92.1 | Very high | 92 | Very high | 92 Ų | 92 | 74.7 Ų | 74.7 | 40% | 0.4 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -61.9 | 176.5 | -176.8 | 171.9 | -180 | 171.3 | 0 | 113.4 | C19 F50 C54 K57 | C19-K21 PolarHBondContact O-N 3.24Å; K21-F50 HydrophobicContact CB-CD1 3.78Å; K21-F50 HydrophobicContact CB-CE1 3.97Å; K21-C54 HydrophobicContact CB-CB 3.93Å; K21-C54 HydrophobicContact CD-CB 4.17Å; K21-C54 WeakPolarHBondContact CD-O 3.39Å; K21-C54 HydrophobicContact CG-CB 4.48Å; K21-K57 HydrophobicContact CD-CB 4.37Å; K21-K57 PolarHBondContact NZ-O 3.43Å |
| 22 | C | 94.5 | Very high | 92.1 | Very high | 56 Ų | 56 | 74.3 Ų | 74.3 | 38% | 0.378 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -8.4 | -174.1 | 67.9 | 0 | 0 | 0 | 0 | 114.1 | C19 V24 H51 | C19-C22 VanDerWaalsContact CB-SG 3.56Å; C22-V24 HydrophobicContact CB-CG2 4.45Å; C22-V24 PolarHBondContact O-N 3.21Å; C22-V24 VanDerWaalsContact O-N 3.09Å; C22-H51 PolarHBondContact SG-CE1 2.71Å; C22-H51 PolarHBondContact SG-ND1 3.5Å |
| 23 | K | 93.9 | Very high | 92.3 | Very high | 136 Ų | 136 | 74.2 Ų | 74.2 | 59% | 0.591 | 36% | 0.363 | S | S | * | . | trans | 64.6 | 2.9 | -178.4 | -48.6 | -54.3 | -172.5 | -170.8 | 0 | 116 | C19 N20 | C19-K23 WeakPolarHBondContact O-CA 3.39Å; C19-K23 PolarHBondContact O-N 3.36Å; N20-K23 PolarHBondContact O-NZ 2.65Å | ||
| 24 | V | 94 | Very high | 92.7 | Very high | 90 Ų | 90 | 68.2 Ų | 68.2 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | trans | -78.6 | 151.1 | 173.8 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | C19 C22 H51 | C19-V24 WeakPolarHBondContact CB-O 3.49Å; C19-V24 PolarHBondContact N-O 3.01Å; C22-V24 HydrophobicContact CB-CG2 4.45Å; C22-V24 PolarHBondContact O-N 3.21Å; C22-V24 VanDerWaalsContact O-N 3.09Å; V24-H51 PolarHBondContact O-CE1 3.14Å | ||
| 25 | E | 94.6 | Very high | 92.9 | Very high | 101 Ų | 101 | 68.4 Ų | 68.4 | 47% | 0.472 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -59 | 143 | 175.1 | -65.5 | -176.1 | 174.9 | 0 | 0 | 112.1 | K18 H51 | K18-E25 HydrophobicContact CG-CG 4.34Å; E25-H51 PolarHBondContact O-CE1 3.29Å; E25-H51 PolarHBondContact O-NE2 3.27Å |
| 26 | I | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | -96.4 | 111.1 | 174.8 | -57.2 | 174.9 | 0 | 0 | 0 | 107.2 | A12 S17 C19 S30 R32 W49 | A12-I26 HydrophobicContact CB-CG2 3.82Å; S17-I26 WeakPolarHBondContact O-CB 3.38Å; S17-I26 PolarHBondContact O-N 3.36Å; C19-I26 HydrophobicContact CB-CD1 4.27Å; C19-I26 HydrophobicContact CB-CG1 4.04Å; I26-S30 VanDerWaalsContact CG2-OG 3.27Å; I26-S30 WeakPolarHBondContact CG2-OG 3.45Å; I26-R32 HydrophobicContact CD1-CB 4.29Å; I26-R32 HydrophobicContact CG2-CB 4.04Å; I26-W49 HydrophobicContact CD1-CB 3.89Å | ||
| 27 | N | 92.7 | Very high | 92.9 | Very high | 107 Ų | 107 | 56.8 Ų | 56.8 | 57% | 0.572 | 29% | 0.29 | S | S | * | . | trans | -57.8 | 141.8 | -178 | -64.4 | -12.4 | 0 | 0 | 0 | 111.7 | A12 N15 S30 | A12-N27 VanDerWaalsContact CB-O 3.25Å; A12-N27 WeakPolarHBondContact CB-O 3.43Å; N15-N27 WeakPolarHBondContact OD1-CA 3.48Å; N27-S30 VanDerWaalsContact O-CB 3.22Å; N27-S30 WeakPolarHBondContact O-CB 3.43Å; N27-S30 PolarHBondContact O-N 3.44Å; N27-S30 VanDerWaalsContact O-N 3.09Å; N27-S30 PolarHBondContact O-OG 3.05Å | ||
| 28 | Q | 90.4 | Very high | 92.6 | Very high | 102 Ų | 102 | 58.5 Ų | 58.5 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 142.9 | 174.2 | -177.8 | 176.5 | -2.3 | 0 | 0 | 109.7 | A12 N15 S30 | A12-Q28 CarbonylContact O-C 3.49Å; A12-Q28 WeakPolarHBondContact O-CA 3.43Å; N15-Q28 VanDerWaalsContact OD1-CB 3.27Å; N15-Q28 WeakPolarHBondContact OD1-CB 3.24Å; N15-Q28 PolarHBondContact OD1-N 3.48Å; Q28-S30 PolarHBondContact O-N 3.47Å |
| 29 | N | 88.3 | Confident | 92.3 | Very high | 112 Ų | 112 | 52.2 Ų | 52.2 | 60% | 0.599 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | -0 | -175.9 | -54.6 | -26.9 | 0 | 0 | 0 | 115.2 | Y11 A12 | Y11-N29 WeakPolarHBondContact CD1-O 3.31Å; A12-N29 PolarHBondContact O-N 3.19Å |
| 30 | S | 93.5 | Very high | 91.7 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | trans | -76.6 | 145.2 | 172.1 | 72.6 | 0 | 0 | 0 | 0 | 111.6 | Y11 A12 I26 N27 Q28 R32 | Y11-S30 WeakPolarHBondContact CA-O 3.1Å; A12-S30 PolarHBondContact N-O 3.43Å; I26-S30 VanDerWaalsContact CG2-OG 3.27Å; I26-S30 WeakPolarHBondContact CG2-OG 3.45Å; N27-S30 VanDerWaalsContact O-CB 3.22Å; N27-S30 WeakPolarHBondContact O-CB 3.43Å; N27-S30 PolarHBondContact O-N 3.44Å; N27-S30 VanDerWaalsContact O-N 3.09Å; N27-S30 PolarHBondContact O-OG 3.05Å; Q28-S30 PolarHBondContact O-N 3.47Å; S30-R32 PolarHBondContact O-N 3.24Å | ||
| 31 | L | 94.4 | Very high | 91.3 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 126.4 | 174.6 | -176.2 | 69.7 | 0 | 0 | 0 | 109.8 | V9 Y11 Y52 I74 D78 | V9-L31 HydrophobicContact CG2-CD1 3.64Å; Y11-L31 HydrophobicContact CE1-CB 4.32Å; Y11-L31 HydrophobicContact CE1-CD1 4.14Å; L31-Y52 HydrophobicContact CD2-CD2 3.56Å; L31-Y52 HydrophobicContact CD2-CE2 4.12Å; L31-Y52 HydrophobicContact CD2-CG 4.22Å; L31-Y52 HydrophobicContact CG-CD2 4.38Å; L31-I74 HydrophobicContact CD1-CD1 4.24Å; L31-D78 HydrophobicContact CD1-CB 4.32Å; L31-D78 HydrophobicContact CD2-CB 3.92Å |
| 32 | R | 94.8 | Very high | 90.8 | Very high | 20 Ų | 20 | 59.1 Ų | 59.1 | 8% | 0.075 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146.6 | 176.1 | 57.6 | 171.9 | -167.3 | -169.7 | 1.8 | 111 | D10 A12 S17 I26 S30 W49 F50 | D10-R32 PolarHBondContact N-O 2.8Å; D10-R32 VanDerWaalsContact N-O 3.16Å; D10-R32 VanDerWaalsContact O-CG 3.23Å; D10-R32 WeakPolarHBondContact O-CG 3.45Å; D10-R32 PolarHBondContact O-N 3.29Å; D10-R32 IonicContact OD2-NH2 3.58Å; A12-R32 HydrophobicContact CB-CG 4.4Å; S17-R32 PolarHBondContact OG-NH1 3.47Å; I26-R32 HydrophobicContact CD1-CB 4.29Å; I26-R32 HydrophobicContact CG2-CB 4.04Å; S30-R32 PolarHBondContact O-N 3.24Å; R32-W49 HydrophobicContact CB-CE3 3.99Å; R32-W49 HydrophobicContact CG-CD2 4.26Å; R32-W49 HydrophobicContact CG-CE3 3.5Å; R32-W49 VanDerWaalsContact CG-CE3 3.5Å; R32-W49 HydrophobicContact CG-CZ3 3.78Å; R32-F50 WeakPolarHBondContact CA-O 3.41Å; R32-F50 VanDerWaalsContact CB-O 3.31Å; R32-F50 WeakPolarHBondContact CB-O 3.47Å |
| 33 | I | 95.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 139.3 | 178.2 | -53.4 | 176.1 | 0 | 0 | 0 | 107.7 | D8 V9 F50 Y52 F55 W56 I82 | D8-I33 CarbonylContact O-C 3.44Å; D8-I33 WeakPolarHBondContact O-CA 3.4Å; V9-I33 HydrophobicContact CG2-CG1 4.15Å; I33-F50 PolarHBondContact N-O 3.48Å; I33-F50 WeakPolarHBondContact O-CB 3.31Å; I33-F50 PolarHBondContact O-N 3.12Å; I33-Y52 HydrophobicContact CD1-CD2 3.89Å; I33-Y52 HydrophobicContact CD1-CE2 4.3Å; I33-F55 HydrophobicContact CB-CB 4.14Å; I33-F55 HydrophobicContact CB-CD1 4.27Å; I33-F55 HydrophobicContact CB-CD2 3.84Å; I33-F55 HydrophobicContact CB-CE2 4.31Å; I33-F55 HydrophobicContact CB-CG 3.81Å; I33-F55 HydrophobicContact CD1-CB 4.48Å; I33-F55 HydrophobicContact CD1-CD1 3.93Å; I33-F55 HydrophobicContact CD1-CE1 4.45Å; I33-F55 HydrophobicContact CD1-CG 4.23Å; I33-F55 HydrophobicContact CG2-CD1 4.01Å; I33-F55 HydrophobicContact CG2-CD2 3.56Å; I33-F55 HydrophobicContact CG2-CE1 3.98Å; I33-F55 HydrophobicContact CG2-CE2 3.5Å; I33-F55 VanDerWaalsContact CG2-CE2 3.5Å; I33-F55 HydrophobicContact CG2-CG 3.81Å; I33-F55 HydrophobicContact CG2-CZ 3.72Å; I33-W56 HydrophobicContact CD1-CZ2 4.03Å; I33-I82 HydrophobicContact CD1-CD1 4.22Å; I33-I82 HydrophobicContact CD1-CG1 4.25Å |
| 34 | A | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 148.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F7 D8 P47 R48 W49 | F7-A34 CarbonylContact C-O 3.56Å; F7-A34 WeakPolarHBondContact CA-O 3.47Å; D8-A34 HydrophobicContact CB-CB 4.33Å; D8-A34 PolarHBondContact N-O 2.88Å; D8-A34 PolarHBondContact O-N 3.2Å; A34-P47 HydrophobicContact CB-CB 3.62Å; A34-R48 WeakPolarHBondContact CA-O 3.39Å; A34-R48 WeakPolarHBondContact CB-O 3.37Å; A34-W49 HydrophobicContact CB-CD2 3.72Å; A34-W49 HydrophobicContact CB-CE3 3.49Å; A34-W49 VanDerWaalsContact CB-CE3 3.49Å; A34-W49 HydrophobicContact CB-CG 4.28Å; A34-W49 HydrophobicContact CB-CH2 4.19Å; A34-W49 HydrophobicContact CB-CZ2 4.39Å; A34-W49 HydrophobicContact CB-CZ3 3.74Å |
| 35 | I | 93.9 | Very high | 89.2 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 24% | 0.241 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.1 | 160.8 | -56.8 | 173.9 | 0 | 0 | 0 | 107.2 | F7 V37 R48 F50 F55 A60 | F7-I35 HydrophobicContact CD1-CG1 4.16Å; F7-I35 HydrophobicContact CE1-CG1 4.14Å; I35-V37 HydrophobicContact CG2-CG1 3.92Å; I35-R48 PolarHBondContact N-O 3.28Å; I35-R48 VanDerWaalsContact N-O 3.08Å; I35-R48 PolarHBondContact O-N 3.38Å; I35-F50 HydrophobicContact CB-CE2 4.25Å; I35-F50 HydrophobicContact CD1-CE2 3.68Å; I35-F50 HydrophobicContact CD1-CZ 3.89Å; I35-F50 HydrophobicContact CG1-CD2 4.42Å; I35-F50 HydrophobicContact CG1-CE2 3.72Å; I35-F50 HydrophobicContact CG1-CZ 4.44Å; I35-F55 HydrophobicContact CD1-CE2 4.5Å; I35-F55 HydrophobicContact CG1-CD2 4.37Å; I35-F55 HydrophobicContact CG1-CE2 3.78Å; I35-A60 HydrophobicContact CD1-CB 4.12Å |
| 36 | L | 89.3 | Confident | 88.8 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 16% | 0.162 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 113.6 | 177.7 | -64.1 | 176.4 | 0 | 0 | 0 | 109.4 | Y5 K6 D8 K45 P47 | Y5-L36 WeakPolarHBondContact O-CD1 3.24Å; K6-L36 PolarHBondContact O-N 3.38Å; D8-L36 HydrophobicContact CB-CD1 4.33Å; D8-L36 HydrophobicContact CB-CD2 4.03Å; D8-L36 HydrophobicContact CB-CG 4.26Å; L36-K45 HydrophobicContact CB-CD 4.28Å; L36-P47 HydrophobicContact CD2-CB 3.95Å |
| 37 | V | 87.7 | Confident | 88.8 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 19% | 0.188 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 151.8 | -177.1 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | I35 A39 K45 I46 R48 | I35-V37 HydrophobicContact CG2-CG1 3.92Å; V37-A39 PolarHBondContact O-N 3.42Å; V37-K45 CarbonylContact O-C 3.47Å; V37-K45 WeakPolarHBondContact O-CA 3.41Å; V37-I46 HydrophobicContact CG2-CD1 4.31Å; V37-I46 HydrophobicContact CG2-CG1 3.73Å; V37-I46 PolarHBondContact N-O 3.27Å; V37-I46 PolarHBondContact O-N 3.29Å; V37-R48 HydrophobicContact CG2-CG 3.89Å |
| 38 | Q | 83.9 | Confident | 88.8 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 135.1 | 174.8 | -171.4 | 64.7 | 25.2 | 0 | 0 | 110.9 | D43 G44 I555 F712 | Q38-D43 PolarHBondContact NE2-OD1 3.19Å; Q38-G44 PolarHBondContact NE2-O 3.22Å; Q38-I555 HydrophobicContact CG-CD1 3.47Å; Q38-I555 VanDerWaalsContact CG-CD1 3.47Å; Q38-F712 HydrophobicContact CG-CD1 4.29Å; Q38-F712 HydrophobicContact CG-CE1 4.48Å |
| 39 | A | 86 | Confident | 89.1 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | trans | -73.8 | 139.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V37 F42 G44 I46 | V37-A39 PolarHBondContact O-N 3.42Å; A39-F42 HydrophobicContact CB-CD1 3.81Å; A39-F42 HydrophobicContact CB-CD2 4.14Å; A39-F42 HydrophobicContact CB-CE1 3.52Å; A39-F42 HydrophobicContact CB-CE2 3.87Å; A39-F42 HydrophobicContact CB-CG 4.12Å; A39-F42 HydrophobicContact CB-CZ 3.55Å; A39-G44 VanDerWaalsContact CB-O 3.32Å; A39-G44 WeakPolarHBondContact CB-O 3.39Å; A39-G44 PolarHBondContact N-O 3.27Å; A39-I46 HydrophobicContact CB-CG1 4.46Å; A39-I46 HydrophobicContact CB-CG2 4.03Å | ||
| 40 | P | 83.7 | Confident | 89.5 | Confident | 83 Ų | 83 | 45.5 Ų | 45.5 | 54% | 0.539 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -76 | -25.8 | -179.5 | 27.8 | -33.6 | 0 | 0 | 0 | 113.6 | G556 | P40-G556 PolarHBondContact O-N 3.43Š|
| 41 | N | 85.3 | Confident | 89.6 | Confident | 108 Ų | 108 | 45.8 Ų | 45.8 | 58% | 0.578 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -108.3 | -9.7 | -167.1 | -59 | -6.8 | 0 | 0 | 0 | 113.8 | W548 | N41-W548 PolarHBondContact O-NE1 3.2Å; N41-W548 VanDerWaalsContact O-NE1 3.11Å |
| 42 | F | 83 | Confident | 89.6 | Confident | 103 Ų | 103 | 47 Ų | 47 | 45% | 0.452 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -153.9 | 163 | 179.9 | 68.5 | -92.4 | 0 | 0 | 0 | 109.9 | A39 G44 I46 I555 | A39-F42 HydrophobicContact CB-CD1 3.81Å; A39-F42 HydrophobicContact CB-CD2 4.14Å; A39-F42 HydrophobicContact CB-CE1 3.52Å; A39-F42 HydrophobicContact CB-CE2 3.87Å; A39-F42 HydrophobicContact CB-CG 4.12Å; A39-F42 HydrophobicContact CB-CZ 3.55Å; F42-G44 PolarHBondContact O-N 3.17Å; F42-I46 HydrophobicContact CE1-CG2 4.25Å; F42-I46 HydrophobicContact CZ-CG2 3.72Å; F42-I555 WeakPolarHBondContact O-CG2 3.48Å |
| 43 | D | 82.6 | Confident | 89.5 | Confident | 22 Ų | 22 | 50.7 Ų | 50.7 | 12% | 0.118 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -86.1 | 92.1 | -176.9 | -169.9 | 13.8 | 0 | 0 | 0 | 112 | Q38 S525 N526 S527 R550 | Q38-D43 PolarHBondContact NE2-OD1 3.19Å; D43-S525 WeakPolarHBondContact OD2-CA 3.31Å; D43-S525 WeakPolarHBondContact OD2-CB 3.05Å; D43-N526 VanDerWaalsContact OD2-C 3.27Å; D43-N526 PolarHBondContact OD2-N 3.05Å; D43-S527 WeakPolarHBondContact CB-OG 3.33Å; D43-S527 PolarHBondContact OD2-OG 2.63Å; D43-R550 HydrophobicContact CB-CB 3.94Å; D43-R550 WeakPolarHBondContact OD1-CD 3.41Å; D43-R550 IonicContact OD1-CZ 3.94Å; D43-R550 IonicContact OD1-NE 2.78Å; D43-R550 IonicContact OD1-NH1 3.75Å; D43-R550 PolarHBondContact OD1-NH1 2.99Å; D43-R550 IonicContact OD2-NH1 3.78Å; D43-R550 PolarHBondContact OD2-NH1 3.27Å |
| 44 | G | 81.3 | Confident | 89.5 | Confident | 20 Ų | 20 | 51.5 Ų | 51.5 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 176.3 | 173.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q38 A39 F42 | Q38-G44 PolarHBondContact NE2-O 3.22Å; A39-G44 VanDerWaalsContact CB-O 3.32Å; A39-G44 WeakPolarHBondContact CB-O 3.39Å; A39-G44 PolarHBondContact N-O 3.27Å; F42-G44 PolarHBondContact O-N 3.17Å |
| 45 | K | 83.3 | Confident | 89.4 | Confident | 83 Ų | 83 | 51.5 Ų | 51.5 | 36% | 0.361 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 141.7 | 177.8 | -62.8 | -172.7 | -178.7 | -172.7 | 0 | 112 | E4 L36 V37 | E4-K45 WeakPolarHBondContact OE1-CE 3.34Å; E4-K45 IonicContact OE1-NZ 3.11Å; E4-K45 PolarHBondContact OE1-NZ 3.1Å; L36-K45 HydrophobicContact CB-CD 4.28Å; V37-K45 CarbonylContact O-C 3.47Å; V37-K45 WeakPolarHBondContact O-CA 3.41Å |
| 46 | I | 87.7 | Confident | 89.3 | Confident | 60 Ų | 60 | 50.6 Ų | 50.6 | 31% | 0.308 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 139.7 | 172.6 | 54.9 | 171.8 | 0 | 0 | 0 | 110.7 | V37 A39 F42 R48 | V37-I46 HydrophobicContact CG2-CD1 4.31Å; V37-I46 HydrophobicContact CG2-CG1 3.73Å; V37-I46 PolarHBondContact N-O 3.27Å; V37-I46 PolarHBondContact O-N 3.29Å; A39-I46 HydrophobicContact CB-CG1 4.46Å; A39-I46 HydrophobicContact CB-CG2 4.03Å; F42-I46 HydrophobicContact CE1-CG2 4.25Å; F42-I46 HydrophobicContact CZ-CG2 3.72Å; I46-R48 PolarHBondContact O-N 3.42Å |
| 47 | P | 92.1 | Very high | 89.3 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 121.1 | 175 | 30.2 | -32.7 | 0 | 0 | 0 | 111.2 | A34 L36 W49 | A34-P47 HydrophobicContact CB-CB 3.62Å; L36-P47 HydrophobicContact CD2-CB 3.95Å; P47-W49 HydrophobicContact CB-CD2 4.43Å; P47-W49 HydrophobicContact CB-CZ2 3.97Å; P47-W49 HydrophobicContact CG-CZ2 4.19Å; P47-W49 PolarHBondContact O-N 3.12Å |
| 48 | R | 93.6 | Very high | 89 | Confident | 129 Ų | 129 | 56.3 Ų | 56.3 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 96 | 164.5 | -74 | -174.2 | 177.6 | 174 | 3.9 | 109.2 | A34 I35 V37 I46 F50 | A34-R48 WeakPolarHBondContact CA-O 3.39Å; A34-R48 WeakPolarHBondContact CB-O 3.37Å; I35-R48 PolarHBondContact N-O 3.28Å; I35-R48 VanDerWaalsContact N-O 3.08Å; I35-R48 PolarHBondContact O-N 3.38Å; V37-R48 HydrophobicContact CG2-CG 3.89Å; I46-R48 PolarHBondContact O-N 3.42Å; R48-F50 HydrophobicContact CB-CE2 4.15Å; R48-F50 WeakPolarHBondContact O-CD2 3.49Å; R48-F50 WeakPolarHBondContact O-CE2 3.44Å |
| 49 | W | 95.6 | Very high | 88.7 | Confident | 34 Ų | 34 | 62.8 Ų | 62.8 | 13% | 0.129 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 143.1 | -178.2 | -65.4 | 104.5 | 0 | 0 | 0 | 113.5 | D8 D10 N20 I26 R32 A34 P47 | D8-W49 HydrophobicContact CB-CH2 4.35Å; D10-W49 HydrophobicContact CB-CH2 3.69Å; D10-W49 HydrophobicContact CB-CZ3 4.09Å; N20-W49 PolarHBondContact N-O 2.93Å; N20-W49 PolarHBondContact ND2-N 3.45Å; N20-W49 PolarHBondContact ND2-O 3.42Å; I26-W49 HydrophobicContact CD1-CB 3.89Å; R32-W49 HydrophobicContact CB-CE3 3.99Å; R32-W49 HydrophobicContact CG-CD2 4.26Å; R32-W49 HydrophobicContact CG-CE3 3.5Å; R32-W49 VanDerWaalsContact CG-CE3 3.5Å; R32-W49 HydrophobicContact CG-CZ3 3.78Å; A34-W49 HydrophobicContact CB-CD2 3.72Å; A34-W49 HydrophobicContact CB-CE3 3.49Å; A34-W49 VanDerWaalsContact CB-CE3 3.49Å; A34-W49 HydrophobicContact CB-CG 4.28Å; A34-W49 HydrophobicContact CB-CH2 4.19Å; A34-W49 HydrophobicContact CB-CZ2 4.39Å; A34-W49 HydrophobicContact CB-CZ3 3.74Å; P47-W49 HydrophobicContact CB-CD2 4.43Å; P47-W49 HydrophobicContact CB-CZ2 3.97Å; P47-W49 HydrophobicContact CG-CZ2 4.19Å; P47-W49 PolarHBondContact O-N 3.12Å |
| 50 | F | 96.8 | Very high | 88.3 | Confident | 17 Ų | 17 | 63.2 Ų | 63.2 | 8% | 0.075 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 151.1 | 174.7 | -61.9 | -97.9 | 0 | 0 | 0 | 109.5 | N20 K21 R32 I33 I35 R48 C54 F55 | N20-F50 HydrophobicContact CB-CD1 3.99Å; N20-F50 HydrophobicContact CB-CD2 4.48Å; N20-F50 HydrophobicContact CB-CE1 3.53Å; N20-F50 HydrophobicContact CB-CE2 4.07Å; N20-F50 HydrophobicContact CB-CG 4.44Å; N20-F50 HydrophobicContact CB-CZ 3.57Å; K21-F50 HydrophobicContact CB-CD1 3.78Å; K21-F50 HydrophobicContact CB-CE1 3.97Å; R32-F50 WeakPolarHBondContact CA-O 3.41Å; R32-F50 VanDerWaalsContact CB-O 3.31Å; R32-F50 WeakPolarHBondContact CB-O 3.47Å; I33-F50 PolarHBondContact N-O 3.48Å; I33-F50 WeakPolarHBondContact O-CB 3.31Å; I33-F50 PolarHBondContact O-N 3.12Å; I35-F50 HydrophobicContact CB-CE2 4.25Å; I35-F50 HydrophobicContact CD1-CE2 3.68Å; I35-F50 HydrophobicContact CD1-CZ 3.89Å; I35-F50 HydrophobicContact CG1-CD2 4.42Å; I35-F50 HydrophobicContact CG1-CE2 3.72Å; I35-F50 HydrophobicContact CG1-CZ 4.44Å; R48-F50 HydrophobicContact CB-CE2 4.15Å; R48-F50 WeakPolarHBondContact O-CD2 3.49Å; R48-F50 WeakPolarHBondContact O-CE2 3.44Å; F50-C54 HydrophobicContact CB-CB 4.36Å; F50-F55 HydrophobicContact CB-CB 3.9Å; F50-F55 HydrophobicContact CD2-CD2 4.08Å; F50-F55 HydrophobicContact CG-CB 4.44Å; F50-F55 HydrophobicContact CG-CD2 4.43Å |
| 51 | H | 96.5 | Very high | 88.2 | Confident | 43 Ų | 43 | 63.8 Ų | 63.8 | 20% | 0.199 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 149.3 | 158.4 | -58.7 | 107.1 | 0 | 0 | 0 | 109.1 | C19 C22 V24 E25 D53 C54 F55 | C19-H51 WeakPolarHBondContact CB-CE1 3.3Å; C19-H51 WeakPolarHBondContact CB-ND1 3.46Å; C19-H51 PolarHBondContact SG-N 3.33Å; C19-H51 VanDerWaalsContact SG-N 3.39Å; C19-H51 PolarHBondContact SG-ND1 3.45Å; C19-H51 VanDerWaalsContact SG-ND1 3.36Å; C22-H51 PolarHBondContact SG-CE1 2.71Å; C22-H51 PolarHBondContact SG-ND1 3.5Å; V24-H51 PolarHBondContact O-CE1 3.14Å; E25-H51 PolarHBondContact O-CE1 3.29Å; E25-H51 PolarHBondContact O-NE2 3.27Å; H51-D53 PolarHBondContact O-N 2.93Å; H51-C54 HydrophobicContact CB-CB 3.99Å; H51-C54 WeakPolarHBondContact O-CA 3.27Å; H51-C54 WeakPolarHBondContact O-CB 3.37Å; H51-C54 PolarHBondContact O-N 3.47Å; H51-F55 PolarHBondContact O-N 3.05Å |
| 52 | Y | 94.2 | Very high | 88.2 | Confident | 46 Ų | 46 | 58.8 Ų | 58.8 | 18% | 0.18 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -45.1 | -55.7 | 177.2 | 175 | -95.9 | 0 | 0 | 0 | 113 | L31 I33 C54 F55 W56 K81 I82 | L31-Y52 HydrophobicContact CD2-CD2 3.56Å; L31-Y52 HydrophobicContact CD2-CE2 4.12Å; L31-Y52 HydrophobicContact CD2-CG 4.22Å; L31-Y52 HydrophobicContact CG-CD2 4.38Å; I33-Y52 HydrophobicContact CD1-CD2 3.89Å; I33-Y52 HydrophobicContact CD1-CE2 4.3Å; Y52-C54 VanDerWaalsContact C-N 3.29Å; Y52-C54 PolarHBondContact O-N 3.18Å; Y52-F55 WeakPolarHBondContact O-CB 3.45Å; Y52-F55 PolarHBondContact O-N 2.85Å; Y52-W56 AromaticContact CD2-NE1 3.78Å; Y52-W56 AromaticContact CE2-NE1 3.3Å; Y52-W56 VanDerWaalsContact CE2-NE1 3.3Å; Y52-W56 AromaticContact CZ-CD1 3.91Å; Y52-W56 AromaticContact CZ-NE1 3.45Å; Y52-K81 HydrophobicContact CE2-CB 4.34Å; Y52-K81 PolarHBondContact OH-O 2.86Å; Y52-I82 HydrophobicContact CE2-CG1 3.92Å |
| 53 | D | 92.5 | Very high | 87.9 | Confident | 97 Ų | 97 | 58 Ų | 58 | 52% | 0.519 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67 | -31.7 | -179.9 | -61 | -39.5 | 0 | 0 | 0 | 113 | H51 F55 K57 | H51-D53 PolarHBondContact O-N 2.93Å; D53-F55 VanDerWaalsContact C-N 3.33Å; D53-K57 WeakPolarHBondContact O-CB 3.34Å; D53-K57 WeakPolarHBondContact O-CD 3.38Å; D53-K57 WeakPolarHBondContact O-CG 3.48Å; D53-K57 PolarHBondContact O-N 2.91Å; D53-K57 VanDerWaalsContact O-N 3.16Å |
| 54 | C | 94.8 | Very high | 87.7 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 12% | 0.122 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.1 | -34.2 | 179.6 | -80.4 | 0 | 0 | 0 | 0 | 112.2 | C19 K21 F50 H51 Y52 S58 | C19-C54 WeakPolarHBondContact SG-CB 3.49Å; C19-C54 VanDerWaalsContact SG-SG 3.66Å; K21-C54 HydrophobicContact CB-CB 3.93Å; K21-C54 HydrophobicContact CD-CB 4.17Å; K21-C54 WeakPolarHBondContact CD-O 3.39Å; K21-C54 HydrophobicContact CG-CB 4.48Å; F50-C54 HydrophobicContact CB-CB 4.36Å; H51-C54 HydrophobicContact CB-CB 3.99Å; H51-C54 WeakPolarHBondContact O-CA 3.27Å; H51-C54 WeakPolarHBondContact O-CB 3.37Å; H51-C54 PolarHBondContact O-N 3.47Å; Y52-C54 VanDerWaalsContact C-N 3.29Å; Y52-C54 PolarHBondContact O-N 3.18Å; C54-S58 WeakPolarHBondContact O-CB 3.44Å; C54-S58 PolarHBondContact O-N 3.33Å |
| 55 | F | 94.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.7 | -55.3 | 177.9 | 178.9 | -94.8 | 0 | 0 | 0 | 111 | F7 I33 I35 F50 H51 Y52 D53 K57 S58 A60 V62 | F7-F55 AromaticContact CD1-CE2 3.77Å; F7-F55 HydrophobicContact CD1-CE2 3.77Å; F7-F55 AromaticContact CD1-CZ 3.6Å; F7-F55 HydrophobicContact CD1-CZ 3.6Å; F7-F55 HydrophobicContact CE1-CE2 4.13Å; F7-F55 AromaticContact CE1-CZ 3.84Å; F7-F55 HydrophobicContact CE1-CZ 3.84Å; F7-F55 HydrophobicContact CG-CZ 4.24Å; I33-F55 HydrophobicContact CB-CB 4.14Å; I33-F55 HydrophobicContact CB-CD1 4.27Å; I33-F55 HydrophobicContact CB-CD2 3.84Å; I33-F55 HydrophobicContact CB-CE2 4.31Å; I33-F55 HydrophobicContact CB-CG 3.81Å; I33-F55 HydrophobicContact CD1-CB 4.48Å; I33-F55 HydrophobicContact CD1-CD1 3.93Å; I33-F55 HydrophobicContact CD1-CE1 4.45Å; I33-F55 HydrophobicContact CD1-CG 4.23Å; I33-F55 HydrophobicContact CG2-CD1 4.01Å; I33-F55 HydrophobicContact CG2-CD2 3.56Å; I33-F55 HydrophobicContact CG2-CE1 3.98Å; I33-F55 HydrophobicContact CG2-CE2 3.5Å; I33-F55 VanDerWaalsContact CG2-CE2 3.5Å; I33-F55 HydrophobicContact CG2-CG 3.81Å; I33-F55 HydrophobicContact CG2-CZ 3.72Å; I35-F55 HydrophobicContact CD1-CE2 4.5Å; I35-F55 HydrophobicContact CG1-CD2 4.37Å; I35-F55 HydrophobicContact CG1-CE2 3.78Å; F50-F55 HydrophobicContact CB-CB 3.9Å; F50-F55 HydrophobicContact CD2-CD2 4.08Å; F50-F55 HydrophobicContact CG-CB 4.44Å; F50-F55 HydrophobicContact CG-CD2 4.43Å; H51-F55 PolarHBondContact O-N 3.05Å; Y52-F55 WeakPolarHBondContact O-CB 3.45Å; Y52-F55 PolarHBondContact O-N 2.85Å; D53-F55 VanDerWaalsContact C-N 3.33Å; F55-K57 PolarHBondContact O-N 3.11Å; F55-S58 WeakPolarHBondContact O-CA 3.46Å; F55-S58 VanDerWaalsContact O-CB 3.26Å; F55-S58 WeakPolarHBondContact O-CB 3.31Å; F55-S58 PolarHBondContact O-N 2.84Å; F55-S58 PolarHBondContact O-OG 2.75Å; F55-A60 HydrophobicContact CD2-CB 4.44Å; F55-A60 HydrophobicContact CE1-CB 4.12Å; F55-A60 HydrophobicContact CE2-CB 3.85Å; F55-A60 HydrophobicContact CZ-CB 3.67Å; F55-V62 HydrophobicContact CE1-CG2 3.67Å; F55-V62 HydrophobicContact CZ-CG2 3.69Å |
| 56 | W | 91.1 | Very high | 87.4 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 10% | 0.102 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 179.7 | -57.3 | 113.4 | 0 | 0 | 0 | 111.9 | I33 Y52 S58 K59 V62 I82 A85 I86 E89 | I33-W56 HydrophobicContact CD1-CZ2 4.03Å; Y52-W56 AromaticContact CD2-NE1 3.78Å; Y52-W56 AromaticContact CE2-NE1 3.3Å; Y52-W56 VanDerWaalsContact CE2-NE1 3.3Å; Y52-W56 AromaticContact CZ-CD1 3.91Å; Y52-W56 AromaticContact CZ-NE1 3.45Å; W56-S58 PolarHBondContact O-N 2.54Å; W56-K59 PolarHBondContact O-N 2.91Å; W56-V62 HydrophobicContact CH2-CB 4.36Å; W56-V62 HydrophobicContact CH2-CG2 4.04Å; W56-V62 HydrophobicContact CZ3-CB 4.24Å; W56-V62 HydrophobicContact CZ3-CG2 3.89Å; W56-I82 HydrophobicContact CZ2-CG2 4.2Å; W56-A85 HydrophobicContact CD2-CB 3.75Å; W56-A85 HydrophobicContact CE3-CB 4.23Å; W56-A85 HydrophobicContact CG-CB 4.26Å; W56-A85 HydrophobicContact CH2-CB 4.07Å; W56-A85 HydrophobicContact CZ2-CB 3.57Å; W56-A85 HydrophobicContact CZ3-CB 4.36Å; W56-I86 HydrophobicContact CH2-CD1 4.46Å; W56-I86 HydrophobicContact CH2-CG1 3.57Å; W56-I86 HydrophobicContact CZ3-CG1 4.14Å; W56-E89 WeakPolarHBondContact CA-OE1 3.2Å; W56-E89 HydrophobicContact CE3-CG 4.35Å; W56-E89 VanDerWaalsContact O-OE1 3.06Å |
| 57 | K | 88.6 | Confident | 87.1 | Confident | 140 Ų | 140 | 54.9 Ų | 54.9 | 61% | 0.609 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14.1 | 173 | -61.4 | 170.1 | -178.6 | 174.3 | 0 | 113.1 | K21 D53 F55 K59 | K21-K57 HydrophobicContact CD-CB 4.37Å; K21-K57 PolarHBondContact NZ-O 3.43Å; D53-K57 WeakPolarHBondContact O-CB 3.34Å; D53-K57 WeakPolarHBondContact O-CD 3.38Å; D53-K57 WeakPolarHBondContact O-CG 3.48Å; D53-K57 PolarHBondContact O-N 2.91Å; D53-K57 VanDerWaalsContact O-N 3.16Å; F55-K57 PolarHBondContact O-N 3.11Å; K57-K59 VanDerWaalsContact C-N 3.25Å |
| 58 | S | 83 | Confident | 86.8 | Confident | 42 Ų | 42 | 52.5 Ų | 52.5 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -5 | 178.5 | 78.6 | 0 | 0 | 0 | 0 | 113.7 | C54 F55 W56 A60 | C54-S58 WeakPolarHBondContact O-CB 3.44Å; C54-S58 PolarHBondContact O-N 3.33Å; F55-S58 WeakPolarHBondContact O-CA 3.46Å; F55-S58 VanDerWaalsContact O-CB 3.26Å; F55-S58 WeakPolarHBondContact O-CB 3.31Å; F55-S58 PolarHBondContact O-N 2.84Å; F55-S58 PolarHBondContact O-OG 2.75Å; W56-S58 PolarHBondContact O-N 2.54Å; S58-A60 VanDerWaalsContact C-N 3.31Å |
| 59 | K | 76.1 | Confident | 86.5 | Confident | 192 Ų | 192 | 49.9 Ų | 49.9 | 84% | 0.835 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 31.3 | -175.2 | -50.9 | 179.2 | 179.7 | 175.8 | 0 | 113.4 | W56 K57 H61 | W56-K59 PolarHBondContact O-N 2.91Å; K57-K59 VanDerWaalsContact C-N 3.25Å; K59-H61 PolarHBondContact O-N 3.25Å |
| 60 | A | 79.2 | Confident | 86 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | trans | -70.5 | 118.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109 | F7 I35 F55 S58 V62 | F7-A60 HydrophobicContact CE1-CB 4.25Å; I35-A60 HydrophobicContact CD1-CB 4.12Å; F55-A60 HydrophobicContact CD2-CB 4.44Å; F55-A60 HydrophobicContact CE1-CB 4.12Å; F55-A60 HydrophobicContact CE2-CB 3.85Å; F55-A60 HydrophobicContact CZ-CB 3.67Å; S58-A60 VanDerWaalsContact C-N 3.31Å; A60-V62 PolarHBondContact O-N 3.01Å | ||
| 61 | H | 81.6 | Confident | 85.6 | Confident | 94 Ų | 94 | 49.6 Ų | 49.6 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | trans | -83.5 | 108.2 | -178.7 | -175 | -93.7 | 0 | 0 | 0 | 110.6 | F7 K59 E63 | F7-H61 WeakPolarHBondContact CZ-O 3.46Å; K59-H61 PolarHBondContact O-N 3.25Å; H61-E63 WeakPolarHBondContact CE1-CG 3.45Å; H61-E63 IonicContact CE1-OE1 2.72Å; H61-E63 IonicContact ND1-OE1 3.66Å | ||
| 62 | V | 83.8 | Confident | 84.9 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.024 | 24% | 0.241 | C | C | . | . | trans | -103.8 | 118.1 | 173.3 | -174 | 0 | 0 | 0 | 0 | 108.7 | F7 F55 W56 A60 S64 I68 I86 | F7-V62 HydrophobicContact CD2-CG1 4.2Å; F7-V62 HydrophobicContact CD2-CG2 3.92Å; F7-V62 HydrophobicContact CE1-CG2 4.29Å; F7-V62 HydrophobicContact CE2-CB 4.15Å; F7-V62 HydrophobicContact CE2-CG1 4.2Å; F7-V62 HydrophobicContact CE2-CG2 3.68Å; F7-V62 HydrophobicContact CG-CG2 4.34Å; F7-V62 HydrophobicContact CZ-CG2 3.87Å; F55-V62 HydrophobicContact CE1-CG2 3.67Å; F55-V62 HydrophobicContact CZ-CG2 3.69Å; W56-V62 HydrophobicContact CH2-CB 4.36Å; W56-V62 HydrophobicContact CH2-CG2 4.04Å; W56-V62 HydrophobicContact CZ3-CB 4.24Å; W56-V62 HydrophobicContact CZ3-CG2 3.89Å; A60-V62 PolarHBondContact O-N 3.01Å; V62-S64 WeakPolarHBondContact CG1-O 3.29Å; V62-I68 HydrophobicContact CG1-CD1 4.04Å; V62-I68 HydrophobicContact CG1-CG1 4.03Å; V62-I86 HydrophobicContact CB-CD1 4.5Å; V62-I86 HydrophobicContact CB-CG1 4.21Å; V62-I86 HydrophobicContact CG1-CD1 3.79Å; V62-I86 HydrophobicContact CG1-CG1 4.04Å | ||
| 63 | E | 77.3 | Confident | 84.4 | Confident | 87 Ų | 87 | 47.8 Ų | 47.8 | 41% | 0.407 | 24% | 0.244 | S | C | . | . | trans | -82.3 | -35.1 | -177.6 | -73.2 | 175.6 | -160.2 | 0 | 0 | 112.5 | H61 E67 | H61-E63 WeakPolarHBondContact CE1-CG 3.45Å; H61-E63 IonicContact CE1-OE1 2.72Å; H61-E63 IonicContact ND1-OE1 3.66Å; E63-E67 PolarHBondContact N-OE2 3.48Å | ||
| 64 | S | 78.8 | Confident | 84.3 | Confident | 45 Ų | 45 | 43.4 Ų | 43.4 | 32% | 0.315 | 22% | 0.221 | S | C | . | . | trans | -155.6 | 154.2 | -173.6 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | V62 A66 E67 | V62-S64 WeakPolarHBondContact CG1-O 3.29Å; S64-A66 PolarHBondContact O-N 3.14Å; S64-A66 PolarHBondContact OG-N 2.76Å; S64-A66 VanDerWaalsContact OG-N 3.15Å; S64-E67 PolarHBondContact O-N 3.37Å; S64-E67 VanDerWaalsContact O-N 3.12Å | ||
| 65 | T | 83.2 | Confident | 84.2 | Confident | 21 Ų | 21 | 46.1 Ų | 46.1 | 13% | 0.129 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -60.4 | -23.3 | 171.3 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | E67 I68 F71 R83 I86 | T65-E67 PolarHBondContact O-N 3.4Å; T65-I68 WeakPolarHBondContact O-CB 3.47Å; T65-I68 PolarHBondContact O-N 3.38Å; T65-F71 HydrophobicContact CG2-CD1 4.25Å; T65-F71 HydrophobicContact CG2-CD2 4.29Å; T65-F71 HydrophobicContact CG2-CE1 3.73Å; T65-F71 HydrophobicContact CG2-CE2 3.8Å; T65-F71 HydrophobicContact CG2-CG 4.5Å; T65-F71 HydrophobicContact CG2-CZ 3.5Å; T65-R83 HydrophobicContact CG2-CG 3.98Å; T65-I86 HydrophobicContact CG2-CD1 3.75Å |
| 66 | A | 75.7 | Confident | 83.9 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 23% | 0.231 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -64.1 | -20.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y5 S64 I68 | Y5-A66 WeakPolarHBondContact CE1-O 3.05Å; S64-A66 PolarHBondContact O-N 3.14Å; S64-A66 PolarHBondContact OG-N 2.76Å; S64-A66 VanDerWaalsContact OG-N 3.15Å; A66-I68 VanDerWaalsContact C-N 3.28Å |
| 67 | E | 80.4 | Confident | 83.9 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 11% | 0.112 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -80.5 | -11 | 175.2 | -57.8 | -168 | 132.7 | 0 | 0 | 113.1 | K6 F7 E63 S64 T65 | K6-E67 WeakPolarHBondContact CE-OE1 3.45Å; K6-E67 PolarHBondContact N-O 3.18Å; K6-E67 IonicContact NZ-OE1 2.52Å; K6-E67 PolarHBondContact NZ-OE1 3.27Å; F7-E67 HydrophobicContact CD2-CB 4.01Å; F7-E67 HydrophobicContact CE2-CB 4.34Å; F7-E67 PolarHBondContact N-O 3.34Å; E63-E67 PolarHBondContact N-OE2 3.48Å; S64-E67 PolarHBondContact O-N 3.37Å; S64-E67 VanDerWaalsContact O-N 3.12Å; T65-E67 PolarHBondContact O-N 3.4Å |
| 68 | I | 86.7 | Confident | 84.1 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 110.7 | -175.6 | -49.6 | 177.6 | 0 | 0 | 0 | 109.5 | F7 V9 V62 T65 A66 F71 I82 I86 | F7-I68 HydrophobicContact CB-CB 4.46Å; F7-I68 HydrophobicContact CB-CG1 4.14Å; F7-I68 HydrophobicContact CB-CG2 4.42Å; F7-I68 HydrophobicContact CD2-CG1 4.47Å; V9-I68 HydrophobicContact CB-CG2 3.88Å; V9-I68 HydrophobicContact CG1-CG2 3.72Å; V62-I68 HydrophobicContact CG1-CD1 4.04Å; V62-I68 HydrophobicContact CG1-CG1 4.03Å; T65-I68 WeakPolarHBondContact O-CB 3.47Å; T65-I68 PolarHBondContact O-N 3.38Å; A66-I68 VanDerWaalsContact C-N 3.28Å; I68-F71 HydrophobicContact CB-CB 4.18Å; I68-F71 HydrophobicContact CG2-CB 4.28Å; I68-F71 WeakPolarHBondContact O-CB 3.47Å; I68-F71 PolarHBondContact O-N 3.5Å; I68-I82 HydrophobicContact CD1-CG2 3.65Å; I68-I86 HydrophobicContact CD1-CD1 4.2Å |
| 69 | K | 85.6 | Confident | 84.5 | Confident | 73 Ų | 73 | 42.3 Ų | 42.3 | 32% | 0.317 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 141.8 | 172.2 | -168 | -176.4 | 176.4 | -179.1 | 0 | 110.4 | Y5 F7 D8 V9 F71 | Y5-K69 HydrophobicContact CD1-CB 3.94Å; Y5-K69 HydrophobicContact CD2-CB 3.93Å; Y5-K69 HydrophobicContact CD2-CD 4.28Å; Y5-K69 HydrophobicContact CD2-CG 3.92Å; Y5-K69 HydrophobicContact CE2-CB 4.5Å; Y5-K69 HydrophobicContact CE2-CG 4.22Å; Y5-K69 HydrophobicContact CG-CB 3.64Å; Y5-K69 HydrophobicContact CG-CG 4.16Å; F7-K69 WeakPolarHBondContact O-CB 3.48Å; F7-K69 PolarHBondContact O-N 2.88Å; D8-K69 HydrophobicContact CB-CB 4.21Å; V9-K69 WeakPolarHBondContact CG1-O 3.47Å; V9-K69 PolarHBondContact N-O 3.42Å; V9-K69 VanDerWaalsContact N-O 3.1Å; K69-F71 PolarHBondContact O-N 3Å |
| 70 | N | 86.8 | Confident | 85.1 | Confident | 40 Ų | 40 | 36.8 Ų | 36.8 | 21% | 0.214 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 10.7 | 178.2 | -53.6 | -49.9 | 0 | 0 | 0 | 115.6 | D8 V9 D72 S73 N277 | D8-N70 PolarHBondContact OD1-ND2 3.41Å; V9-N70 WeakPolarHBondContact O-CB 3.25Å; N70-D72 VanDerWaalsContact C-N 3.31Å; N70-D72 PolarHBondContact O-N 2.96Å; N70-S73 VanDerWaalsContact O-CB 3.32Å; N70-S73 WeakPolarHBondContact O-CB 3.34Å; N70-S73 PolarHBondContact O-N 3.48Å; N70-N277 VanDerWaalsContact CA-OD1 3.26Å; N70-N277 WeakPolarHBondContact CA-OD1 3.16Å; N70-N277 PolarHBondContact N-OD1 2.97Å |
| 71 | F | 87.3 | Confident | 85.6 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -52.6 | -44.4 | -179.8 | 176.6 | -102.9 | 0 | 0 | 0 | 113.6 | V9 T65 I68 K69 S73 I74 Q79 I82 R83 | V9-F71 HydrophobicContact CG1-CB 4.49Å; T65-F71 HydrophobicContact CG2-CD1 4.25Å; T65-F71 HydrophobicContact CG2-CD2 4.29Å; T65-F71 HydrophobicContact CG2-CE1 3.73Å; T65-F71 HydrophobicContact CG2-CE2 3.8Å; T65-F71 HydrophobicContact CG2-CG 4.5Å; T65-F71 HydrophobicContact CG2-CZ 3.5Å; I68-F71 HydrophobicContact CB-CB 4.18Å; I68-F71 HydrophobicContact CG2-CB 4.28Å; I68-F71 WeakPolarHBondContact O-CB 3.47Å; I68-F71 PolarHBondContact O-N 3.5Å; K69-F71 PolarHBondContact O-N 3Å; F71-S73 PolarHBondContact O-N 3.32Å; F71-S73 VanDerWaalsContact O-N 3.13Å; F71-I74 WeakPolarHBondContact O-CG1 3.46Å; F71-Q79 HydrophobicContact CE1-CB 4.43Å; F71-Q79 HydrophobicContact CE2-CB 4.04Å; F71-Q79 HydrophobicContact CE2-CG 4.29Å; F71-Q79 HydrophobicContact CZ-CB 3.72Å; F71-Q79 HydrophobicContact CZ-CG 4.13Å; F71-I82 HydrophobicContact CD2-CD1 4.33Å; F71-I82 HydrophobicContact CD2-CG2 4.16Å; F71-I82 HydrophobicContact CE2-CB 3.94Å; F71-I82 HydrophobicContact CE2-CD1 4.36Å; F71-I82 HydrophobicContact CE2-CG2 3.75Å; F71-R83 HydrophobicContact CZ-CG 3.93Å |
| 72 | D | 81.8 | Confident | 86 | Confident | 15 Ų | 15 | 36.8 Ų | 36.8 | 8% | 0.08 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -71.3 | -8.2 | 179.8 | -57.4 | -47.4 | 0 | 0 | 0 | 114.1 | N70 Q79 Y275 G278 S332 | N70-D72 VanDerWaalsContact C-N 3.31Å; N70-D72 PolarHBondContact O-N 2.96Å; D72-Q79 PolarHBondContact O-NE2 2.99Å; D72-Y275 VanDerWaalsContact CB-OH 3.31Å; D72-Y275 WeakPolarHBondContact CB-OH 3.4Å; D72-G278 PolarHBondContact OD2-N 3.3Å; D72-S332 VanDerWaalsContact OD2-CB 3.25Å; D72-S332 WeakPolarHBondContact OD2-CB 3.31Å |
| 73 | S | 83.3 | Confident | 86.2 | Confident | 36 Ų | 36 | 39 Ų | 39 | 25% | 0.252 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -94 | -7.5 | -174.4 | -47.8 | 0 | 0 | 0 | 0 | 113.1 | N70 F71 W216 | N70-S73 VanDerWaalsContact O-CB 3.32Å; N70-S73 WeakPolarHBondContact O-CB 3.34Å; N70-S73 PolarHBondContact O-N 3.48Å; F71-S73 PolarHBondContact O-N 3.32Å; F71-S73 VanDerWaalsContact O-N 3.13Å; S73-W216 VanDerWaalsContact O-CZ2 3.29Å; S73-W216 WeakPolarHBondContact O-CZ2 3.32Å |
| 74 | I | 90.4 | Very high | 86.7 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -90.7 | 169.8 | 177 | 73.2 | -170.6 | 0 | 0 | 0 | 111.9 | V9 Y11 L31 F71 D78 Q79 I82 N212 W216 | V9-I74 HydrophobicContact CG1-CD1 4.27Å; V9-I74 HydrophobicContact CG1-CG2 4.04Å; V9-I74 HydrophobicContact CG2-CD1 4.1Å; V9-I74 HydrophobicContact CG2-CG2 4.2Å; Y11-I74 HydrophobicContact CE2-CB 4.04Å; Y11-I74 HydrophobicContact CE2-CG2 4.2Å; L31-I74 HydrophobicContact CD1-CD1 4.24Å; F71-I74 WeakPolarHBondContact O-CG1 3.46Å; I74-D78 HydrophobicContact CD1-CB 4.05Å; I74-D78 HydrophobicContact CG1-CB 4.26Å; I74-Q79 HydrophobicContact CD1-CG 4.05Å; I74-Q79 HydrophobicContact CG1-CG 3.49Å; I74-Q79 VanDerWaalsContact CG1-CG 3.49Å; I74-Q79 PolarHBondContact O-NE2 2.9Å; I74-I82 HydrophobicContact CD1-CD1 3.69Å; I74-N212 PolarHBondContact O-ND2 3Å; I74-N212 VanDerWaalsContact O-ND2 3.14Å; I74-W216 PolarHBondContact O-NE1 2.94Å |
| 75 | R | 92.5 | Very high | 87.1 | Confident | 76 Ų | 76 | 36 Ų | 36 | 29% | 0.287 | 18% | 0.184 | S | C | . | . | trans | -62 | 144.4 | 177 | -69.1 | 179.5 | 171.5 | 82.8 | 1.7 | 111.1 | Y11 E77 D78 Q79 W216 D220 | Y11-R75 VanDerWaalsContact OH-CB 3.3Å; Y11-R75 WeakPolarHBondContact OH-CB 3.13Å; Y11-R75 WeakPolarHBondContact OH-CG 3.16Å; Y11-R75 PolarHBondContact OH-N 3.44Å; R75-E77 VanDerWaalsContact C-N 3.27Å; R75-E77 PolarHBondContact O-N 2.91Å; R75-D78 PolarHBondContact O-N 3.39Å; R75-Q79 PolarHBondContact O-N 3.03Å; R75-W216 HydrophobicContact CG-CD2 3.55Å; R75-W216 HydrophobicContact CG-CE3 3.94Å; R75-W216 HydrophobicContact CG-CG 3.94Å; R75-W216 HydrophobicContact CG-CH2 4.27Å; R75-W216 HydrophobicContact CG-CZ2 3.89Å; R75-W216 HydrophobicContact CG-CZ3 4.28Å; R75-W216 VanDerWaalsContact NH1-CZ3 3.29Å; R75-W216 VanDerWaalsContact NH2-CE3 3.32Å; R75-W216 VanDerWaalsContact NH2-CZ3 3.33Å; R75-D220 IonicContact NH2-OD1 3.63Å; R75-D220 PolarHBondContact NH2-OD1 3.42Å; R75-D220 VanDerWaalsContact NH2-OD1 3.11Å; R75-D220 IonicContact NH2-OD2 2.89Å; R75-D220 PolarHBondContact NH2-OD2 3.07Å | ||
| 76 | W | 89.2 | Confident | 87.1 | Confident | 22 Ų | 22 | 35.4 Ų | 35.4 | 8% | 0.083 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -51.3 | -45.3 | -178.4 | -176.8 | -91.2 | 0 | 0 | 0 | 112.8 | D78 Q79 E80 L208 R209 N212 | W76-D78 PolarHBondContact O-N 2.9Å; W76-Q79 WeakPolarHBondContact O-CB 3.29Å; W76-Q79 PolarHBondContact O-N 3.46Å; W76-Q79 VanDerWaalsContact O-N 3.11Å; W76-E80 WeakPolarHBondContact O-CG 3.49Å; W76-E80 PolarHBondContact O-N 3.37Å; W76-L208 HydrophobicContact CH2-CB 4.01Å; W76-L208 HydrophobicContact CZ3-CB 3.76Å; W76-R209 HydrophobicContact CD2-CB 3.87Å; W76-R209 HydrophobicContact CD2-CG 3.98Å; W76-R209 HydrophobicContact CE3-CB 4.29Å; W76-R209 HydrophobicContact CG-CB 4.32Å; W76-R209 HydrophobicContact CG-CG 3.89Å; W76-R209 HydrophobicContact CH2-CB 4.32Å; W76-R209 HydrophobicContact CZ2-CB 3.93Å; W76-N212 HydrophobicContact CB-CB 4.25Å; W76-N212 WeakPolarHBondContact CB-OD1 3.35Å; W76-N212 HydrophobicContact CE3-CB 4.26Å; W76-N212 PolarHBondContact N-OD1 2.6Å |
| 77 | E | 91 | Very high | 87.1 | Confident | 84 Ų | 84 | 39.5 Ų | 39.5 | 39% | 0.393 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.4 | -32.9 | -179.9 | -67.9 | 70.3 | -154.1 | 0 | 0 | 112.4 | R75 K81 K213 | R75-E77 VanDerWaalsContact C-N 3.27Å; R75-E77 PolarHBondContact O-N 2.91Å; E77-K81 WeakPolarHBondContact O-CG 3.34Å; E77-K81 PolarHBondContact O-N 3.35Å; E77-K213 WeakPolarHBondContact OE1-CE 3.26Å |
| 78 | D | 93 | Very high | 86.6 | Confident | 18 Ų | 18 | 42 Ų | 42 | 10% | 0.096 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -80.1 | -30.4 | 175.5 | -68.9 | -32.6 | 0 | 0 | 0 | 112.4 | Y11 L31 I74 R75 W76 E80 K81 I82 | Y11-D78 WeakPolarHBondContact CE1-OD2 3.12Å; Y11-D78 PolarHBondContact OH-OD2 3.47Å; L31-D78 HydrophobicContact CD1-CB 4.32Å; L31-D78 HydrophobicContact CD2-CB 3.92Å; I74-D78 HydrophobicContact CD1-CB 4.05Å; I74-D78 HydrophobicContact CG1-CB 4.26Å; R75-D78 PolarHBondContact O-N 3.39Å; W76-D78 PolarHBondContact O-N 2.9Å; D78-E80 VanDerWaalsContact C-N 3.35Å; D78-K81 PolarHBondContact O-N 3.01Å; D78-K81 IonicContact OD1-NZ 3.34Å; D78-K81 PolarHBondContact OD1-NZ 3.12Å; D78-I82 PolarHBondContact O-N 3.21Å; D78-I82 VanDerWaalsContact O-N 3.14Å |
| 79 | Q | 90 | Very high | 85 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 2% | 0.023 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -45 | 169.5 | -62.6 | -178.1 | 14.8 | 0 | 0 | 110.9 | F71 D72 I74 R75 W76 K81 I82 R83 N212 | F71-Q79 HydrophobicContact CE1-CB 4.43Å; F71-Q79 HydrophobicContact CE2-CB 4.04Å; F71-Q79 HydrophobicContact CE2-CG 4.29Å; F71-Q79 HydrophobicContact CZ-CB 3.72Å; F71-Q79 HydrophobicContact CZ-CG 4.13Å; D72-Q79 PolarHBondContact O-NE2 2.99Å; I74-Q79 HydrophobicContact CD1-CG 4.05Å; I74-Q79 HydrophobicContact CG1-CG 3.49Å; I74-Q79 VanDerWaalsContact CG1-CG 3.49Å; I74-Q79 PolarHBondContact O-NE2 2.9Å; R75-Q79 PolarHBondContact O-N 3.03Å; W76-Q79 WeakPolarHBondContact O-CB 3.29Å; W76-Q79 PolarHBondContact O-N 3.46Å; W76-Q79 VanDerWaalsContact O-N 3.11Å; Q79-K81 PolarHBondContact O-N 3.36Å; Q79-I82 PolarHBondContact O-N 3.24Å; Q79-R83 WeakPolarHBondContact O-CG 3.19Å; Q79-R83 PolarHBondContact O-N 2.95Å; Q79-N212 PolarHBondContact NE2-ND2 3.06Å |
| 80 | E | 89.4 | Confident | 83.1 | Confident | 75 Ų | 75 | 43 Ų | 43 | 35% | 0.35 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 177.3 | -70.6 | -60.4 | 102.2 | 0 | 0 | 112.2 | W76 D78 I82 R83 A84 | W76-E80 WeakPolarHBondContact O-CG 3.49Å; W76-E80 PolarHBondContact O-N 3.37Å; D78-E80 VanDerWaalsContact C-N 3.35Å; E80-I82 PolarHBondContact O-N 3.02Å; E80-R83 PolarHBondContact O-N 3.48Å; E80-R83 WeakPolarHBondContact OE1-CD 3.43Å; E80-R83 IonicContact OE1-CZ 3.81Å; E80-R83 IonicContact OE1-NE 2.85Å; E80-R83 IonicContact OE1-NH1 3.89Å; E80-R83 PolarHBondContact OE1-NH1 3.45Å; E80-A84 VanDerWaalsContact O-CB 3.31Å; E80-A84 WeakPolarHBondContact O-CB 3.36Å; E80-A84 PolarHBondContact O-N 3.46Å |
| 81 | K | 90.2 | Very high | 80.5 | Confident | 106 Ų | 106 | 44.4 Ų | 44.4 | 46% | 0.461 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.7 | -47 | 173.3 | -74.5 | 173.8 | -163.6 | 163 | 0 | 111.8 | Y52 E77 D78 Q79 A84 A85 | Y52-K81 HydrophobicContact CE2-CB 4.34Å; Y52-K81 PolarHBondContact OH-O 2.86Å; E77-K81 WeakPolarHBondContact O-CG 3.34Å; E77-K81 PolarHBondContact O-N 3.35Å; D78-K81 PolarHBondContact O-N 3.01Å; D78-K81 IonicContact OD1-NZ 3.34Å; D78-K81 PolarHBondContact OD1-NZ 3.12Å; Q79-K81 PolarHBondContact O-N 3.36Å; K81-A84 PolarHBondContact O-N 2.85Å; K81-A85 WeakPolarHBondContact O-CB 3.27Å; K81-A85 PolarHBondContact O-N 3.03Å |
| 82 | I | 90.4 | Very high | 78 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 178.4 | -69.1 | 173.4 | 0 | 0 | 0 | 111.2 | V9 I33 Y52 W56 I68 F71 I74 D78 Q79 E80 A84 A85 I86 | V9-I82 HydrophobicContact CG2-CD1 3.92Å; I33-I82 HydrophobicContact CD1-CD1 4.22Å; I33-I82 HydrophobicContact CD1-CG1 4.25Å; Y52-I82 HydrophobicContact CE2-CG1 3.92Å; W56-I82 HydrophobicContact CZ2-CG2 4.2Å; I68-I82 HydrophobicContact CD1-CG2 3.65Å; F71-I82 HydrophobicContact CD2-CD1 4.33Å; F71-I82 HydrophobicContact CD2-CG2 4.16Å; F71-I82 HydrophobicContact CE2-CB 3.94Å; F71-I82 HydrophobicContact CE2-CD1 4.36Å; F71-I82 HydrophobicContact CE2-CG2 3.75Å; I74-I82 HydrophobicContact CD1-CD1 3.69Å; D78-I82 PolarHBondContact O-N 3.21Å; D78-I82 VanDerWaalsContact O-N 3.14Å; Q79-I82 PolarHBondContact O-N 3.24Å; E80-I82 PolarHBondContact O-N 3.02Å; I82-A84 VanDerWaalsContact C-N 3.31Å; I82-A84 PolarHBondContact O-N 3.37Å; I82-A85 PolarHBondContact O-N 3.49Å; I82-I86 HydrophobicContact CG2-CD1 3.9Å; I82-I86 HydrophobicContact CG2-CG1 4.42Å; I82-I86 WeakPolarHBondContact O-CG1 3.31Å; I82-I86 PolarHBondContact O-N 3.45Å |
| 83 | R | 87.8 | Confident | 75.5 | Confident | 49 Ų | 49 | 53.2 Ų | 53.2 | 19% | 0.185 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.6 | -45.3 | 175.5 | -72.2 | 177.2 | -171.6 | 115.7 | 5.2 | 111.1 | T65 F71 Q79 E80 I86 N87 | T65-R83 HydrophobicContact CG2-CG 3.98Å; F71-R83 HydrophobicContact CZ-CG 3.93Å; Q79-R83 WeakPolarHBondContact O-CG 3.19Å; Q79-R83 PolarHBondContact O-N 2.95Å; E80-R83 PolarHBondContact O-N 3.48Å; E80-R83 WeakPolarHBondContact OE1-CD 3.43Å; E80-R83 IonicContact OE1-CZ 3.81Å; E80-R83 IonicContact OE1-NE 2.85Å; E80-R83 IonicContact OE1-NH1 3.89Å; E80-R83 PolarHBondContact OE1-NH1 3.45Å; R83-I86 PolarHBondContact O-N 3.34Å; R83-N87 WeakPolarHBondContact O-CB 3.23Å; R83-N87 VanDerWaalsContact O-CG 3.29Å; R83-N87 PolarHBondContact O-N 3.39Å; R83-N87 VanDerWaalsContact O-N 3.08Å; R83-N87 PolarHBondContact O-ND2 3.14Å |
| 84 | A | 86.6 | Confident | 72.8 | Confident | 61 Ų | 61 | 61 Ų | 61 | 50% | 0.504 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E80 K81 I82 N87 S88 | E80-A84 VanDerWaalsContact O-CB 3.31Å; E80-A84 WeakPolarHBondContact O-CB 3.36Å; E80-A84 PolarHBondContact O-N 3.46Å; K81-A84 PolarHBondContact O-N 2.85Å; I82-A84 VanDerWaalsContact C-N 3.31Å; I82-A84 PolarHBondContact O-N 3.37Å; A84-N87 PolarHBondContact O-N 2.97Å; A84-S88 WeakPolarHBondContact O-CB 3.41Å; A84-S88 PolarHBondContact O-N 2.91Å |
| 85 | A | 87 | Confident | 69.7 | Low | 10 Ų | 10 | 65.8 Ų | 65.8 | 8% | 0.083 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W56 K81 I82 N87 S88 E89 | W56-A85 HydrophobicContact CD2-CB 3.75Å; W56-A85 HydrophobicContact CE3-CB 4.23Å; W56-A85 HydrophobicContact CG-CB 4.26Å; W56-A85 HydrophobicContact CH2-CB 4.07Å; W56-A85 HydrophobicContact CZ2-CB 3.57Å; W56-A85 HydrophobicContact CZ3-CB 4.36Å; K81-A85 WeakPolarHBondContact O-CB 3.27Å; K81-A85 PolarHBondContact O-N 3.03Å; I82-A85 PolarHBondContact O-N 3.49Å; A85-N87 VanDerWaalsContact C-N 3.35Å; A85-N87 PolarHBondContact O-N 3.18Å; A85-S88 WeakPolarHBondContact CA-OG 3.04Å; A85-S88 PolarHBondContact O-N 2.72Å; A85-S88 VanDerWaalsContact O-N 3.15Å; A85-S88 PolarHBondContact O-OG 3.28Å; A85-E89 PolarHBondContact O-N 2.99Å |
| 86 | I | 84.3 | Confident | 66.7 | Low | 7 Ų | 7 | 68.2 Ų | 68.2 | 4% | 0.036 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57 | -49.3 | 174.9 | -66.4 | 170.2 | 0 | 0 | 0 | 110.1 | W56 V62 T65 I68 I82 R83 S88 E89 I90 | W56-I86 HydrophobicContact CH2-CD1 4.46Å; W56-I86 HydrophobicContact CH2-CG1 3.57Å; W56-I86 HydrophobicContact CZ3-CG1 4.14Å; V62-I86 HydrophobicContact CB-CD1 4.5Å; V62-I86 HydrophobicContact CB-CG1 4.21Å; V62-I86 HydrophobicContact CG1-CD1 3.79Å; V62-I86 HydrophobicContact CG1-CG1 4.04Å; T65-I86 HydrophobicContact CG2-CD1 3.75Å; I68-I86 HydrophobicContact CD1-CD1 4.2Å; I82-I86 HydrophobicContact CG2-CD1 3.9Å; I82-I86 HydrophobicContact CG2-CG1 4.42Å; I82-I86 WeakPolarHBondContact O-CG1 3.31Å; I82-I86 PolarHBondContact O-N 3.45Å; R83-I86 PolarHBondContact O-N 3.34Å; I86-S88 VanDerWaalsContact C-N 3.28Å; I86-S88 PolarHBondContact O-N 3.22Å; I86-E89 PolarHBondContact O-N 3.1Å; I86-I90 HydrophobicContact CG2-CD1 3.61Å; I86-I90 HydrophobicContact CG2-CG1 4.46Å; I86-I90 WeakPolarHBondContact O-CD1 3.34Å; I86-I90 WeakPolarHBondContact O-CG1 3.3Å; I86-I90 PolarHBondContact O-N 3.27Å; I86-I90 VanDerWaalsContact O-N 3.13Å |
| 87 | N | 75.6 | Confident | 63.9 | Low | 115 Ų | 115 | 77.7 Ų | 77.7 | 62% | 0.615 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.2 | -33.8 | 179.1 | -69.7 | -24.1 | 0 | 0 | 0 | 112.7 | R83 A84 A85 | R83-N87 WeakPolarHBondContact O-CB 3.23Å; R83-N87 VanDerWaalsContact O-CG 3.29Å; R83-N87 PolarHBondContact O-N 3.39Å; R83-N87 VanDerWaalsContact O-N 3.08Å; R83-N87 PolarHBondContact O-ND2 3.14Å; A84-N87 PolarHBondContact O-N 2.97Å; A85-N87 VanDerWaalsContact C-N 3.35Å; A85-N87 PolarHBondContact O-N 3.18Å |
| 88 | S | 69.2 | Low | 61.7 | Low | 75 Ų | 75 | 79.9 Ų | 79.9 | 52% | 0.524 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -72.2 | -37.5 | 178.3 | 76.2 | 0 | 0 | 0 | 0 | 113.6 | A84 A85 I86 G91 | A84-S88 WeakPolarHBondContact O-CB 3.41Å; A84-S88 PolarHBondContact O-N 2.91Å; A85-S88 WeakPolarHBondContact CA-OG 3.04Å; A85-S88 PolarHBondContact O-N 2.72Å; A85-S88 VanDerWaalsContact O-N 3.15Å; A85-S88 PolarHBondContact O-OG 3.28Å; I86-S88 VanDerWaalsContact C-N 3.28Å; I86-S88 PolarHBondContact O-N 3.22Å; S88-G91 PolarHBondContact O-N 3.2Å |
| 89 | E | 53.6 | Low | 59.9 | Low | 52 Ų | 52 | 86 Ų | 86 | 24% | 0.243 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -74.5 | -32.8 | 178.1 | -74.2 | -163.3 | 166.4 | 0 | 0 | 112.3 | W56 A85 I86 G91 S92 | W56-E89 WeakPolarHBondContact CA-OE1 3.2Å; W56-E89 HydrophobicContact CE3-CG 4.35Å; W56-E89 VanDerWaalsContact O-OE1 3.06Å; A85-E89 PolarHBondContact O-N 2.99Å; I86-E89 PolarHBondContact O-N 3.1Å; E89-G91 PolarHBondContact O-N 3.29Å; E89-S92 PolarHBondContact O-N 3.3Å |
| 90 | I | 44.7 | Very low | 59 | Low | 47 Ų | 47 | 92.6 Ų | 92.6 | 24% | 0.241 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -61.8 | -26.3 | 176.2 | -70 | 171.1 | 0 | 0 | 0 | 111.2 | I86 K375 | I86-I90 HydrophobicContact CG2-CD1 3.61Å; I86-I90 HydrophobicContact CG2-CG1 4.46Å; I86-I90 WeakPolarHBondContact O-CD1 3.34Å; I86-I90 WeakPolarHBondContact O-CG1 3.3Å; I86-I90 PolarHBondContact O-N 3.27Å; I86-I90 VanDerWaalsContact O-N 3.13Å; I90-K375 HydrophobicContact CG2-CD 4.48Å; I90-K375 VanDerWaalsContact CG2-CE 3.44Å; I90-K375 PolarHBondContact O-NZ 2.96Å |
| 91 | G | 33.2 | Very low | 58.8 | Low | 69 Ų | 69 | 90.6 Ų | 90.6 | 71% | 0.711 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -7.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | S88 E89 | S88-G91 PolarHBondContact O-N 3.2Å; E89-G91 PolarHBondContact O-N 3.29Å |
| 92 | S | 35.3 | Very low | 58.7 | Low | 99 Ų | 99 | 87.2 Ų | 87.2 | 69% | 0.692 | 48% | 0.477 | S | S | * | . | trans | -107.6 | 10.1 | -175.6 | -97 | 0 | 0 | 0 | 0 | 115.4 | E89 K94 | E89-S92 PolarHBondContact O-N 3.3Å; S92-K94 VanDerWaalsContact C-N 3.33Å; S92-K94 PolarHBondContact O-N 3.08Å | ||
| 93 | L | 29.4 | Very low | 58.7 | Low | 108 Ų | 108 | 87.3 Ų | 87.3 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -77.1 | 85.4 | 166.3 | -78 | 157.2 | 0 | 0 | 0 | 109.7 | P95 K375 | L93-P95 WeakPolarHBondContact O-CD 3.43Å; L93-K375 VanDerWaalsContact CD1-NZ 3.34Å |
| 94 | K | 27.1 | Very low | 58.7 | Low | 200 Ų | 200 | 88.2 Ų | 88.2 | 87% | 0.87 | 48% | 0.483 | S | S | * | . | trans | -19.9 | 123.6 | 175.9 | -67.5 | 175.4 | 176.6 | 176.3 | 0 | 116 | S92 | S92-K94 VanDerWaalsContact C-N 3.33Å; S92-K94 PolarHBondContact O-N 3.08Å | ||
| 95 | P | 25.2 | Very low | 58.8 | Low | 104 Ų | 104 | 89.4 Ų | 89.4 | 68% | 0.675 | 48% | 0.48 | S | S | * | . | trans | -106.5 | 125.9 | 131.1 | 23.6 | -8.1 | 0 | 0 | 0 | 109.3 | L93 | L93-P95 WeakPolarHBondContact O-CD 3.43Š| ||
| 96 | T | 28.4 | Very low | 58.5 | Low | 126 Ų | 126 | 90.5 Ų | 90.5 | 77% | 0.773 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 40.1 | 105 | 146.8 | 52.2 | 0 | 0 | 0 | 0 | 119.8 | T98 | T96-T98 PolarHBondContact O-N 2.47Š|
| 97 | K | 31.1 | Very low | 57.7 | Low | 221 Ų | 221 | 95.4 Ų | 95.4 | 96% | 0.961 | 51% | 0.514 | S | S | * | . | trans | 9.4 | 90.1 | 157 | -66.6 | 179.8 | 178.4 | 177.6 | 0 | 116.4 | ||||
| 98 | T | 43.5 | Very low | 57 | Low | 131 Ų | 131 | 91.8 Ų | 91.8 | 80% | 0.804 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 145.5 | 172.6 | 33.6 | 0 | 0 | 0 | 0 | 112.9 | T96 | T96-T98 PolarHBondContact O-N 2.47Š|
| 99 | R | 56.6 | Low | 57 | Low | 145 Ų | 145 | 95.8 Ų | 95.8 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 142.6 | -179.7 | -72.2 | 176.8 | 172.6 | 178.1 | -4.5 | 111.1 | F101 E147 | R99-F101 HydrophobicContact CB-CE2 4.32Å; R99-F101 HydrophobicContact CB-CZ 4.08Å; R99-E147 IonicContact CZ-OE1 2.7Å; R99-E147 IonicContact NH1-OE1 3.14Å; R99-E147 PolarHBondContact NH1-OE1 3.31Å |
| 100 | K | 69.7 | Low | 58.3 | Low | 145 Ų | 145 | 97.6 Ų | 97.6 | 63% | 0.63 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 122.8 | 175.3 | -72.9 | -174.3 | 179.2 | -177.4 | 0 | 110.3 | S129 | K100-S129 PolarHBondContact N-O 3.34Å; K100-S129 PolarHBondContact O-N 2.84Å; K100-S129 PolarHBondContact O-OG 2.86Å |
| 101 | F | 85.5 | Confident | 60.2 | Low | 32 Ų | 32 | 99.1 Ų | 99.1 | 14% | 0.14 | 54% | 0.542 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.3 | 173.6 | -56.7 | -73.5 | 0 | 0 | 0 | 110.1 | R99 V126 L127 F135 F142 E147 L155 V156 | R99-F101 HydrophobicContact CB-CE2 4.32Å; R99-F101 HydrophobicContact CB-CZ 4.08Å; F101-V126 HydrophobicContact CB-CG1 4.08Å; F101-L127 WeakPolarHBondContact CA-O 3.36Å; F101-F135 HydrophobicContact CD1-CZ 4.01Å; F101-F135 AromaticContact CE1-CE1 3.96Å; F101-F135 HydrophobicContact CE1-CE1 3.96Å; F101-F135 AromaticContact CE1-CZ 3.68Å; F101-F135 HydrophobicContact CE1-CZ 3.68Å; F101-F142 HydrophobicContact CB-CE2 4.4Å; F101-F142 HydrophobicContact CB-CZ 4.18Å; F101-F142 AromaticContact CD1-CE2 3.74Å; F101-F142 HydrophobicContact CD1-CE2 3.74Å; F101-F142 HydrophobicContact CD1-CZ 4.27Å; F101-F142 HydrophobicContact CD2-CE2 4.43Å; F101-F142 HydrophobicContact CD2-CZ 4.26Å; F101-F142 HydrophobicContact CE1-CE2 4.11Å; F101-F142 AromaticContact CG-CE2 3.93Å; F101-F142 HydrophobicContact CG-CE2 3.93Å; F101-F142 AromaticContact CG-CZ 3.97Å; F101-F142 HydrophobicContact CG-CZ 3.97Å; F101-E147 HydrophobicContact CE1-CB 4.11Å; F101-E147 WeakPolarHBondContact CE1-OE2 3.48Å; F101-E147 HydrophobicContact CE2-CB 4.37Å; F101-E147 WeakPolarHBondContact CE2-O 3.21Å; F101-E147 HydrophobicContact CZ-CB 3.69Å; F101-E147 HydrophobicContact CZ-CG 4.34Å; F101-L155 HydrophobicContact CB-CD2 3.59Å; F101-V156 WeakPolarHBondContact O-CB 3.19Å; F101-V156 PolarHBondContact O-N 3.28Å |
| 102 | T | 88.4 | Confident | 62.8 | Low | 35 Ų | 35 | 95.9 Ų | 95.9 | 22% | 0.215 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 123.5 | -177.9 | -56.4 | 0 | 0 | 0 | 0 | 110.3 | V126 L127 V156 | T102-V126 CarbonylContact O-C 3.17Å; T102-V126 WeakPolarHBondContact O-CA 3.45Å; T102-L127 PolarHBondContact N-O 3.18Å; T102-L127 PolarHBondContact O-N 3.03Å; T102-V156 CarbonylContact C-O 3.53Å; T102-V156 WeakPolarHBondContact CA-O 3.47Å; T102-V156 HydrophobicContact CG2-CB 4.35Å; T102-V156 HydrophobicContact CG2-CG1 4.28Å; T102-V156 WeakPolarHBondContact CG2-O 3.29Å |
| 103 | V | 90.6 | Very high | 65.2 | Low | 3 Ų | 3 | 94.2 Ų | 94.2 | 2% | 0.018 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 138.3 | 172.6 | 65.9 | 0 | 0 | 0 | 0 | 110.5 | T125 L155 V156 F158 L161 V169 | V103-T125 WeakPolarHBondContact CA-O 3.38Å; V103-L155 HydrophobicContact CB-CB 4.11Å; V103-L155 HydrophobicContact CB-CD1 3.97Å; V103-L155 HydrophobicContact CG1-CB 3.84Å; V103-L155 HydrophobicContact CG1-CD1 4.42Å; V103-V156 PolarHBondContact N-O 2.52Å; V103-F158 HydrophobicContact CG1-CB 4.01Å; V103-F158 VanDerWaalsContact CG1-N 3.35Å; V103-L161 HydrophobicContact CG1-CD1 4.09Å; V103-L161 HydrophobicContact CG2-CD1 4.16Å; V103-V169 HydrophobicContact CG2-CG2 4.38Å |
| 104 | K | 88.6 | Confident | 67.8 | Low | 68 Ų | 68 | 93.7 Ų | 93.7 | 30% | 0.296 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 166.2 | 176.6 | 60.9 | 170.9 | -174.4 | 161.7 | 0 | 111.5 | H124 T125 | K104-H124 WeakPolarHBondContact O-CA 3.45Å; K104-T125 WeakPolarHBondContact CG-OG1 3.42Å; K104-T125 PolarHBondContact N-O 2.84Å; K104-T125 PolarHBondContact O-N 3.35Å |
| 105 | L | 86.9 | Confident | 70.6 | Confident | 86 Ų | 86 | 86.5 Ų | 86.5 | 45% | 0.45 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 147 | 167.2 | -67.6 | 171.4 | 0 | 0 | 0 | 110.4 | R123 L161 | L105-R123 WeakPolarHBondContact CA-O 3.2Å; L105-R123 HydrophobicContact CD2-CG 3.97Å; L105-L161 HydrophobicContact CG-CD2 4.37Å |
| 106 | S | 81.7 | Confident | 73.5 | Confident | 33 Ų | 33 | 88.1 Ų | 88.1 | 23% | 0.231 | 46% | 0.461 | C | S | . | . | trans | -66.3 | 135.7 | 178.7 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | L119 E122 R123 H124 T125 | S106-L119 PolarHBondContact OG-O 3.47Å; S106-E122 VanDerWaalsContact CB-O 3.25Å; S106-E122 WeakPolarHBondContact CB-O 3.39Å; S106-E122 PolarHBondContact OG-O 2.81Å; S106-R123 PolarHBondContact N-O 2.84Å; S106-R123 VanDerWaalsContact OG-C 3.29Å; S106-R123 PolarHBondContact OG-O 3.43Å; S106-H124 PolarHBondContact OG-N 2.87Å; S106-T125 VanDerWaalsContact OG-CG2 3.29Å; S106-T125 WeakPolarHBondContact OG-CG2 3.49Å | ||
| 107 | D | 67.7 | Low | 76.2 | Confident | 110 Ų | 110 | 87.6 Ų | 87.6 | 59% | 0.588 | 45% | 0.448 | S | S | * | . | trans | -113.2 | 138.9 | 175.6 | -159.3 | -6.2 | 0 | 0 | 0 | 108.7 | D109 | D107-D109 VanDerWaalsContact C-N 3.31Å; D107-D109 PolarHBondContact O-N 3.39Å | ||
| 108 | G | 59.8 | Low | 78.9 | Confident | 39 Ų | 39 | 79.6 Ų | 79.6 | 40% | 0.402 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9.7 | -148.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 109 | D | 69.6 | Low | 80.8 | Confident | 159 Ų | 159 | 73.4 Ų | 73.4 | 85% | 0.85 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | 12.8 | -158.4 | -61.3 | -30.3 | 0 | 0 | 0 | 115.5 | D107 | D107-D109 VanDerWaalsContact C-N 3.31Å; D107-D109 PolarHBondContact O-N 3.39Å |
| 110 | L | 80.6 | Confident | 82 | Confident | 89 Ų | 89 | 71.1 Ų | 71.1 | 47% | 0.466 | 38% | 0.379 | S | S | . | . | trans | -123 | 152.6 | -173.4 | -73 | 167.4 | 0 | 0 | 0 | 112.8 | L119 M136 | L110-L119 HydrophobicContact CB-CD1 3.62Å; L110-L119 HydrophobicContact CB-CG 4.45Å; L110-L119 WeakPolarHBondContact O-CB 3.47Å; L110-L119 WeakPolarHBondContact O-CG 3.37Å; L110-L119 PolarHBondContact O-N 3.08Å; L110-M136 HydrophobicContact CD1-CE 3.58Å; L110-M136 HydrophobicContact CD1-SD 3.7Å | ||
| 111 | T | 85.9 | Confident | 82.7 | Confident | 80 Ų | 80 | 71.7 Ų | 71.7 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -100.4 | 147 | 177.5 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | T113 | T111-T113 PolarHBondContact O-N 3.22Å |
| 112 | C | 87.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 38% | 0.384 | C | S | . | . | trans | -72 | 125.8 | 178 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | H114 C115 Q116 K117 L119 C137 H138 | C112-H114 PolarHBondContact O-N 3.42Å; C112-C115 VanDerWaalsContact CB-SG 3.57Å; C112-Q116 VanDerWaalsContact O-CA 3.25Å; C112-Q116 WeakPolarHBondContact O-CA 3.3Å; C112-Q116 PolarHBondContact O-N 3.13Å; C112-K117 WeakPolarHBondContact CB-O 3.35Å; C112-K117 PolarHBondContact N-O 3.24Å; C112-L119 HydrophobicContact CB-CD2 3.7Å; C112-L119 HydrophobicContact CB-CG 4.49Å; C112-C137 VanDerWaalsContact SG-CA 3.57Å; C112-C137 VanDerWaalsContact SG-CB 3.58Å; C112-H138 WeakPolarHBondContact CB-CE1 3.31Å; C112-H138 VanDerWaalsContact CB-ND1 3.32Å; C112-H138 WeakPolarHBondContact CB-ND1 3.29Å; C112-H138 PolarHBondContact SG-N 3.29Å; C112-H138 VanDerWaalsContact SG-N 3.44Å; C112-H138 PolarHBondContact SG-ND1 2.82Å | ||
| 113 | T | 85 | Confident | 82.6 | Confident | 64 Ų | 64 | 78.3 Ų | 78.3 | 39% | 0.393 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.6 | -179.6 | 52.8 | 0 | 0 | 0 | 0 | 114.7 | T111 F135 M136 | T111-T113 PolarHBondContact O-N 3.22Å; T113-F135 HydrophobicContact CG2-CB 3.86Å; T113-F135 WeakPolarHBondContact OG1-CB 3.25Å; T113-M136 WeakPolarHBondContact CG2-O 3.03Å; T113-M136 PolarHBondContact N-O 3.05Å; T113-M136 PolarHBondContact OG1-O 3.07Å |
| 114 | H | 83.9 | Confident | 82.6 | Confident | 98 Ų | 98 | 78.7 Ų | 78.7 | 45% | 0.454 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -34 | -179.5 | -74.5 | -78.5 | 0 | 0 | 0 | 113.8 | C112 C137 C141 | C112-H114 PolarHBondContact O-N 3.42Å; H114-C137 VanDerWaalsContact CD2-CB 3.43Å; H114-C137 WeakPolarHBondContact CD2-CB 3.26Å; H114-C141 HydrophobicContact CB-CB 3.78Å |
| 115 | C | 87.4 | Confident | 82.7 | Confident | 48 Ų | 48 | 75.5 Ų | 75.5 | 32% | 0.324 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | -2.7 | -173.6 | 77.4 | 0 | 0 | 0 | 0 | 114.3 | C112 K117 H138 | C112-C115 VanDerWaalsContact CB-SG 3.57Å; C115-K117 PolarHBondContact O-N 3.31Å; C115-K117 VanDerWaalsContact O-N 3.08Å; C115-H138 PolarHBondContact SG-CE1 2.81Å; C115-H138 PolarHBondContact SG-ND1 2.75Å |
| 116 | Q | 84.6 | Confident | 82.9 | Confident | 139 Ų | 139 | 71.4 Ų | 71.4 | 65% | 0.65 | 37% | 0.367 | S | S | * | . | trans | 61.2 | 10.4 | 179.3 | -57.1 | -65.2 | -16.6 | 0 | 0 | 115.5 | C112 | C112-Q116 VanDerWaalsContact O-CA 3.25Å; C112-Q116 WeakPolarHBondContact O-CA 3.3Å; C112-Q116 PolarHBondContact O-N 3.13Å | ||
| 117 | K | 86.6 | Confident | 83.1 | Confident | 114 Ų | 114 | 72.2 Ų | 72.2 | 50% | 0.496 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -88.6 | 153.3 | 174.4 | -60.5 | -178.9 | -178.6 | -175.2 | 0 | 111.4 | C112 C115 Y121 | C112-K117 WeakPolarHBondContact CB-O 3.35Å; C112-K117 PolarHBondContact N-O 3.24Å; C115-K117 PolarHBondContact O-N 3.31Å; C115-K117 VanDerWaalsContact O-N 3.08Å; K117-Y121 HydrophobicContact CB-CD2 4.49Å |
| 118 | P | 85.9 | Confident | 83.8 | Confident | 53 Ų | 53 | 67.2 Ų | 67.2 | 34% | 0.344 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -51.4 | 138.4 | 173.8 | -28.4 | 35.1 | 0 | 0 | 0 | 112.9 | N120 Y121 H138 | P118-N120 WeakPolarHBondContact CB-OD1 3.46Å; P118-N120 PolarHBondContact O-N 3.25Å; P118-Y121 HydrophobicContact CB-CD2 3.81Å; P118-Y121 HydrophobicContact CB-CE2 3.82Å; P118-Y121 VanDerWaalsContact CD-CE2 3.49Å; P118-Y121 HydrophobicContact CG-CD2 4.21Å; P118-Y121 HydrophobicContact CG-CE2 3.73Å; P118-Y121 WeakPolarHBondContact O-CB 3.45Å; P118-Y121 WeakPolarHBondContact O-CD2 3.31Å; P118-Y121 PolarHBondContact O-N 2.81Å; P118-H138 PolarHBondContact O-CE1 2.99Å; P118-H138 PolarHBondContact O-NE2 2.98Å |
| 119 | L | 84.3 | Confident | 83.9 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -68.2 | -22.5 | -175.3 | -77.2 | 175.5 | 0 | 0 | 0 | 113.4 | S106 L110 C112 Y121 E122 T125 M136 H138 | S106-L119 PolarHBondContact OG-O 3.47Å; L110-L119 HydrophobicContact CB-CD1 3.62Å; L110-L119 HydrophobicContact CB-CG 4.45Å; L110-L119 WeakPolarHBondContact O-CB 3.47Å; L110-L119 WeakPolarHBondContact O-CG 3.37Å; L110-L119 PolarHBondContact O-N 3.08Å; C112-L119 HydrophobicContact CB-CD2 3.7Å; C112-L119 HydrophobicContact CB-CG 4.49Å; L119-Y121 PolarHBondContact O-N 2.86Å; L119-Y121 VanDerWaalsContact O-N 3.13Å; L119-E122 PolarHBondContact O-N 2.83Å; L119-E122 VanDerWaalsContact O-O 3.12Å; L119-T125 HydrophobicContact CB-CG2 3.92Å; L119-T125 HydrophobicContact CD1-CG2 4.15Å; L119-T125 HydrophobicContact CD2-CG2 3.76Å; L119-T125 HydrophobicContact CG-CG2 4.17Å; L119-M136 HydrophobicContact CD1-CB 4.02Å; L119-M136 HydrophobicContact CD1-CG 3.55Å; L119-M136 HydrophobicContact CD1-SD 3.43Å; L119-M136 WeakPolarHBondContact CD1-SD 3.42Å; L119-H138 WeakPolarHBondContact CA-NE2 3.46Å |
| 120 | N | 82.6 | Confident | 83.5 | Confident | 97 Ų | 97 | 62.2 Ų | 62.2 | 52% | 0.519 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -66.5 | -5 | 174.3 | 66.1 | -1.5 | 0 | 0 | 0 | 114.5 | P118 E122 | P118-N120 WeakPolarHBondContact CB-OD1 3.46Å; P118-N120 PolarHBondContact O-N 3.25Å; N120-E122 PolarHBondContact O-N 2.89Å |
| 121 | Y | 84.3 | Confident | 81.6 | Confident | 156 Ų | 156 | 68 Ų | 68 | 61% | 0.612 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -66.5 | -23.8 | 171.4 | -84.8 | -111.4 | 0 | 0 | 0 | 113.3 | K117 P118 L119 | K117-Y121 HydrophobicContact CB-CD2 4.49Å; P118-Y121 HydrophobicContact CB-CD2 3.81Å; P118-Y121 HydrophobicContact CB-CE2 3.82Å; P118-Y121 VanDerWaalsContact CD-CE2 3.49Å; P118-Y121 HydrophobicContact CG-CD2 4.21Å; P118-Y121 HydrophobicContact CG-CE2 3.73Å; P118-Y121 WeakPolarHBondContact O-CB 3.45Å; P118-Y121 WeakPolarHBondContact O-CD2 3.31Å; P118-Y121 PolarHBondContact O-N 2.81Å; L119-Y121 PolarHBondContact O-N 2.86Å; L119-Y121 VanDerWaalsContact O-N 3.13Å |
| 122 | E | 85.2 | Confident | 80 | Confident | 53 Ų | 53 | 73.5 Ų | 73.5 | 25% | 0.248 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -122.1 | 155.2 | 171.1 | -71 | -178.1 | -155.5 | 0 | 0 | 109.5 | S106 L119 N120 H124 H138 L139 S140 | S106-E122 VanDerWaalsContact CB-O 3.25Å; S106-E122 WeakPolarHBondContact CB-O 3.39Å; S106-E122 PolarHBondContact OG-O 2.81Å; L119-E122 PolarHBondContact O-N 2.83Å; L119-E122 VanDerWaalsContact O-O 3.12Å; N120-E122 PolarHBondContact O-N 2.89Å; E122-H124 VanDerWaalsContact C-N 3.29Å; E122-H138 VanDerWaalsContact CD-CB 3.49Å; E122-H138 HydrophobicContact CG-CB 4.25Å; E122-H138 WeakPolarHBondContact OE1-CB 3.44Å; E122-H138 IonicContact OE1-CG 3.49Å; E122-H138 WeakPolarHBondContact OE2-CB 3.49Å; E122-L139 PolarHBondContact OE2-N 2.91Å; E122-S140 WeakPolarHBondContact OE1-CB 3.45Å; E122-S140 PolarHBondContact OE1-OG 3.41Å; E122-S140 PolarHBondContact OE2-N 3.45Å |
| 123 | R | 85.7 | Confident | 78.3 | Confident | 153 Ų | 153 | 79 Ų | 79 | 58% | 0.577 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -73.5 | -22.4 | 177.4 | -176.2 | 169.1 | 171.7 | 136.6 | -1.8 | 113.1 | L105 S106 D165 | L105-R123 WeakPolarHBondContact CA-O 3.2Å; L105-R123 HydrophobicContact CD2-CG 3.97Å; S106-R123 PolarHBondContact N-O 2.84Å; S106-R123 VanDerWaalsContact OG-C 3.29Å; S106-R123 PolarHBondContact OG-O 3.43Å; R123-D165 IonicContact CZ-OD1 3.5Å; R123-D165 IonicContact NE-OD1 3.58Å; R123-D165 PolarHBondContact NE-OD1 3.4Å; R123-D165 IonicContact NH2-OD1 3.21Å; R123-D165 PolarHBondContact NH2-OD1 3.18Å; R123-D165 IonicContact NH2-OD2 3.51Å |
| 124 | H | 91.1 | Very high | 77.5 | Confident | 12 Ų | 12 | 80.7 Ų | 80.7 | 6% | 0.056 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138 | -174.5 | -54.7 | 99.2 | 0 | 0 | 0 | 111.2 | K104 S106 E122 L139 D165 V169 | K104-H124 WeakPolarHBondContact O-CA 3.45Å; S106-H124 PolarHBondContact OG-N 2.87Å; E122-H124 VanDerWaalsContact C-N 3.29Å; H124-L139 HydrophobicContact CB-CB 3.91Å; H124-L139 HydrophobicContact CB-CD2 3.98Å; H124-L139 HydrophobicContact CB-CG 4.48Å; H124-L139 PolarHBondContact O-N 2.9Å; H124-L139 VanDerWaalsContact O-N 3.08Å; H124-D165 WeakPolarHBondContact NE2-CB 3.33Å; H124-D165 IonicContact NE2-OD1 2.71Å; H124-V169 HydrophobicContact CB-CG2 4.44Å |
| 125 | T | 91.5 | Very high | 77.5 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 154.8 | 173.1 | 58.7 | 0 | 0 | 0 | 0 | 111.8 | V103 K104 S106 L119 C137 | V103-T125 WeakPolarHBondContact CA-O 3.38Å; K104-T125 WeakPolarHBondContact CG-OG1 3.42Å; K104-T125 PolarHBondContact N-O 2.84Å; K104-T125 PolarHBondContact O-N 3.35Å; S106-T125 VanDerWaalsContact OG-CG2 3.29Å; S106-T125 WeakPolarHBondContact OG-CG2 3.49Å; L119-T125 HydrophobicContact CB-CG2 3.92Å; L119-T125 HydrophobicContact CD1-CG2 4.15Å; L119-T125 HydrophobicContact CD2-CG2 3.76Å; L119-T125 HydrophobicContact CG-CG2 4.17Å; T125-C137 CarbonylContact C-O 3.48Å; T125-C137 WeakPolarHBondContact CA-O 3.42Å; T125-C137 WeakPolarHBondContact CB-O 3.44Å |
| 126 | V | 89.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.2 | 174.1 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | F101 T102 M136 C137 L139 F142 L155 | F101-V126 HydrophobicContact CB-CG1 4.08Å; T102-V126 CarbonylContact O-C 3.17Å; T102-V126 WeakPolarHBondContact O-CA 3.45Å; V126-M136 WeakPolarHBondContact O-CA 3.19Å; V126-C137 PolarHBondContact N-O 3.33Å; V126-C137 PolarHBondContact O-N 3.49Å; V126-L139 HydrophobicContact CG2-CD1 4.07Å; V126-F142 HydrophobicContact CB-CB 3.96Å; V126-F142 HydrophobicContact CB-CD1 4.22Å; V126-F142 HydrophobicContact CB-CD2 4.09Å; V126-F142 HydrophobicContact CB-CG 3.82Å; V126-F142 HydrophobicContact CG1-CB 4.48Å; V126-F142 HydrophobicContact CG1-CD1 4.08Å; V126-F142 HydrophobicContact CG1-CD2 3.69Å; V126-F142 HydrophobicContact CG1-CE1 4.2Å; V126-F142 HydrophobicContact CG1-CE2 3.84Å; V126-F142 HydrophobicContact CG1-CG 3.81Å; V126-F142 HydrophobicContact CG1-CZ 4.08Å; V126-F142 HydrophobicContact CG2-CB 3.85Å; V126-F142 HydrophobicContact CG2-CD1 3.73Å; V126-F142 HydrophobicContact CG2-CD2 4.49Å; V126-F142 HydrophobicContact CG2-CE1 4.41Å; V126-F142 HydrophobicContact CG2-CG 3.76Å; V126-L155 HydrophobicContact CG2-CD1 4.38Å |
| 127 | L | 87.1 | Confident | 77.6 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 26% | 0.262 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 119.1 | 175.1 | 175.3 | 73.3 | 0 | 0 | 0 | 109.7 | F101 T102 F135 M136 | F101-L127 WeakPolarHBondContact CA-O 3.36Å; T102-L127 PolarHBondContact N-O 3.18Å; T102-L127 PolarHBondContact O-N 3.03Å; L127-F135 WeakPolarHBondContact CA-O 3.31Å; L127-M136 HydrophobicContact CD1-CB 4.5Å; L127-M136 HydrophobicContact CD1-CE 4.02Å |
| 128 | G | 81.1 | Confident | 77.9 | Confident | 5 Ų | 5 | 65 Ų | 65 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 119.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | T134 F135 | G128-T134 WeakPolarHBondContact O-CA 3.43Å; G128-F135 PolarHBondContact N-O 3.35Å; G128-F135 PolarHBondContact O-N 2.93Å |
| 129 | S | 63.4 | Low | 78.1 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 35% | 0.35 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 117.8 | 177.3 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | K100 | K100-S129 PolarHBondContact N-O 3.34Å; K100-S129 PolarHBondContact O-N 2.84Å; K100-S129 PolarHBondContact O-OG 2.86Å |
| 130 | G | 59.9 | Low | 78.4 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 45% | 0.454 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -168.8 | 179.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | K132 | G130-K132 PolarHBondContact O-N 3.43Š|
| 131 | K | 41.4 | Very low | 78.7 | Confident | 211 Ų | 211 | 60.5 Ų | 60.5 | 92% | 0.917 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -62.8 | 96.8 | 173.1 | -75.5 | -172.5 | 176.2 | -174 | 0 | 109.2 | ||
| 132 | K | 52 | Low | 79 | Confident | 195 Ų | 195 | 53.1 Ų | 53.1 | 85% | 0.848 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 37.2 | 134.1 | 167.6 | -70 | -175.9 | 176 | -177.4 | 0 | 118.8 | G130 | G130-K132 PolarHBondContact O-N 3.43Š|
| 133 | P | 52.8 | Low | 79.2 | Confident | 115 Ų | 115 | 51.6 Ų | 51.6 | 75% | 0.747 | 27% | 0.271 | S | S | * | . | cis | -87.7 | 142.3 | -10.8 | 14.7 | 2.7 | 0 | 0 | 0 | 110.9 | ||||
| 134 | T | 67.4 | Low | 79.1 | Confident | 99 Ų | 99 | 50.8 Ų | 50.8 | 61% | 0.607 | 27% | 0.272 | S | S | * | . | trans | -61.8 | 132.4 | 162.2 | 41.7 | 0 | 0 | 0 | 0 | 109 | G128 | G128-T134 WeakPolarHBondContact O-CA 3.43Š| ||
| 135 | F | 83.1 | Confident | 78.7 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 150.4 | 178.6 | 73.1 | -97.9 | 0 | 0 | 0 | 110.6 | F101 T113 L127 G128 C137 E147 | F101-F135 HydrophobicContact CD1-CZ 4.01Å; F101-F135 AromaticContact CE1-CE1 3.96Å; F101-F135 HydrophobicContact CE1-CE1 3.96Å; F101-F135 AromaticContact CE1-CZ 3.68Å; F101-F135 HydrophobicContact CE1-CZ 3.68Å; T113-F135 HydrophobicContact CG2-CB 3.86Å; T113-F135 WeakPolarHBondContact OG1-CB 3.25Å; L127-F135 WeakPolarHBondContact CA-O 3.31Å; G128-F135 PolarHBondContact N-O 3.35Å; G128-F135 PolarHBondContact O-N 2.93Å; F135-C137 HydrophobicContact CD2-CB 4.45Å; F135-E147 WeakPolarHBondContact CE1-OE2 3.4Å; F135-E147 WeakPolarHBondContact CZ-OE2 3.29Å |
| 136 | M | 86.1 | Confident | 77.9 | Confident | 33 Ų | 33 | 59.5 Ų | 59.5 | 16% | 0.163 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 127.2 | 175.3 | -159.3 | -180 | -56 | 0 | 0 | 108.6 | L110 T113 L119 V126 L127 | L110-M136 HydrophobicContact CD1-CE 3.58Å; L110-M136 HydrophobicContact CD1-SD 3.7Å; T113-M136 WeakPolarHBondContact CG2-O 3.03Å; T113-M136 PolarHBondContact N-O 3.05Å; T113-M136 PolarHBondContact OG1-O 3.07Å; L119-M136 HydrophobicContact CD1-CB 4.02Å; L119-M136 HydrophobicContact CD1-CG 3.55Å; L119-M136 HydrophobicContact CD1-SD 3.43Å; L119-M136 WeakPolarHBondContact CD1-SD 3.42Å; V126-M136 WeakPolarHBondContact O-CA 3.19Å; L127-M136 HydrophobicContact CD1-CB 4.5Å; L127-M136 HydrophobicContact CD1-CE 4.02Å |
| 137 | C | 89.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 161.9 | -174.6 | 66.2 | 0 | 0 | 0 | 0 | 112.8 | C112 H114 T125 V126 F135 C141 | C112-C137 VanDerWaalsContact SG-CA 3.57Å; C112-C137 VanDerWaalsContact SG-CB 3.58Å; H114-C137 VanDerWaalsContact CD2-CB 3.43Å; H114-C137 WeakPolarHBondContact CD2-CB 3.26Å; T125-C137 CarbonylContact C-O 3.48Å; T125-C137 WeakPolarHBondContact CA-O 3.42Å; T125-C137 WeakPolarHBondContact CB-O 3.44Å; V126-C137 PolarHBondContact N-O 3.33Å; V126-C137 PolarHBondContact O-N 3.49Å; F135-C137 HydrophobicContact CD2-CB 4.45Å; C137-C141 HydrophobicContact CB-CB 4.22Å |
| 138 | H | 92.2 | Very high | 77.1 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 3% | 0.028 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 147.1 | 168.9 | -63.6 | 121.2 | 0 | 0 | 0 | 111.2 | C112 C115 P118 L119 E122 S140 C141 F142 | C112-H138 WeakPolarHBondContact CB-CE1 3.31Å; C112-H138 VanDerWaalsContact CB-ND1 3.32Å; C112-H138 WeakPolarHBondContact CB-ND1 3.29Å; C112-H138 PolarHBondContact SG-N 3.29Å; C112-H138 VanDerWaalsContact SG-N 3.44Å; C112-H138 PolarHBondContact SG-ND1 2.82Å; C115-H138 PolarHBondContact SG-CE1 2.81Å; C115-H138 PolarHBondContact SG-ND1 2.75Å; P118-H138 PolarHBondContact O-CE1 2.99Å; P118-H138 PolarHBondContact O-NE2 2.98Å; L119-H138 WeakPolarHBondContact CA-NE2 3.46Å; E122-H138 VanDerWaalsContact CD-CB 3.49Å; E122-H138 HydrophobicContact CG-CB 4.25Å; E122-H138 WeakPolarHBondContact OE1-CB 3.44Å; E122-H138 IonicContact OE1-CG 3.49Å; E122-H138 WeakPolarHBondContact OE2-CB 3.49Å; H138-S140 VanDerWaalsContact C-N 3.27Å; H138-S140 PolarHBondContact O-N 3.21Å; H138-C141 HydrophobicContact CB-CB 4.03Å; H138-C141 WeakPolarHBondContact O-CB 3.03Å; H138-C141 PolarHBondContact O-N 3.46Å; H138-C141 VanDerWaalsContact O-N 3.08Å; H138-F142 PolarHBondContact O-N 2.89Å |
| 139 | L | 90.8 | Very high | 77.1 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.5 | -44.9 | 172.6 | 178.2 | 66.4 | 0 | 0 | 0 | 111 | E122 H124 V126 C141 F142 L143 I152 V169 A172 | E122-L139 PolarHBondContact OE2-N 2.91Å; H124-L139 HydrophobicContact CB-CB 3.91Å; H124-L139 HydrophobicContact CB-CD2 3.98Å; H124-L139 HydrophobicContact CB-CG 4.48Å; H124-L139 PolarHBondContact O-N 2.9Å; H124-L139 VanDerWaalsContact O-N 3.08Å; V126-L139 HydrophobicContact CG2-CD1 4.07Å; L139-C141 VanDerWaalsContact C-N 3.26Å; L139-C141 PolarHBondContact O-N 2.86Å; L139-F142 WeakPolarHBondContact O-CB 3.49Å; L139-F142 PolarHBondContact O-N 3.28Å; L139-L143 HydrophobicContact CD1-CG 4.31Å; L139-L143 HydrophobicContact CG-CD1 4.05Å; L139-L143 HydrophobicContact CG-CG 4.29Å; L139-L143 WeakPolarHBondContact O-CB 3.39Å; L139-L143 WeakPolarHBondContact O-CG 3.42Å; L139-L143 PolarHBondContact O-N 2.85Å; L139-I152 HydrophobicContact CD1-CD1 4.09Å; L139-V169 HydrophobicContact CD1-CG1 4.29Å; L139-V169 HydrophobicContact CD2-CB 4.3Å; L139-V169 HydrophobicContact CD2-CG1 4.3Å; L139-V169 HydrophobicContact CD2-CG2 3.97Å; L139-A172 HydrophobicContact CD2-CB 3.99Å |
| 140 | S | 90.1 | Very high | 77.7 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 26% | 0.259 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.7 | -29.9 | 178.9 | 81.7 | 0 | 0 | 0 | 0 | 113.6 | E122 H138 K144 | E122-S140 WeakPolarHBondContact OE1-CB 3.45Å; E122-S140 PolarHBondContact OE1-OG 3.41Å; E122-S140 PolarHBondContact OE2-N 3.45Å; H138-S140 VanDerWaalsContact C-N 3.27Å; H138-S140 PolarHBondContact O-N 3.21Å; S140-K144 WeakPolarHBondContact O-CD 3.44Å; S140-K144 VanDerWaalsContact O-CG 3.29Å; S140-K144 WeakPolarHBondContact O-CG 3.29Å; S140-K144 PolarHBondContact O-N 3.29Å |
| 141 | C | 88.6 | Confident | 78.7 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 11% | 0.108 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -72.1 | -42.5 | 174.6 | -71.7 | 0 | 0 | 0 | 0 | 110.7 | H114 C137 H138 L139 K144 S145 | H114-C141 HydrophobicContact CB-CB 3.78Å; C137-C141 HydrophobicContact CB-CB 4.22Å; H138-C141 HydrophobicContact CB-CB 4.03Å; H138-C141 WeakPolarHBondContact O-CB 3.03Å; H138-C141 PolarHBondContact O-N 3.46Å; H138-C141 VanDerWaalsContact O-N 3.08Å; L139-C141 VanDerWaalsContact C-N 3.26Å; L139-C141 PolarHBondContact O-N 2.86Å; C141-K144 PolarHBondContact O-N 2.83Å; C141-S145 PolarHBondContact O-N 3.17Å |
| 142 | F | 90.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 173.7 | -178.9 | -108.5 | 0 | 0 | 0 | 112.1 | F101 V126 H138 L139 K144 S145 E147 C148 L155 | F101-F142 HydrophobicContact CB-CE2 4.4Å; F101-F142 HydrophobicContact CB-CZ 4.18Å; F101-F142 AromaticContact CD1-CE2 3.74Å; F101-F142 HydrophobicContact CD1-CE2 3.74Å; F101-F142 HydrophobicContact CD1-CZ 4.27Å; F101-F142 HydrophobicContact CD2-CE2 4.43Å; F101-F142 HydrophobicContact CD2-CZ 4.26Å; F101-F142 HydrophobicContact CE1-CE2 4.11Å; F101-F142 AromaticContact CG-CE2 3.93Å; F101-F142 HydrophobicContact CG-CE2 3.93Å; F101-F142 AromaticContact CG-CZ 3.97Å; F101-F142 HydrophobicContact CG-CZ 3.97Å; V126-F142 HydrophobicContact CB-CB 3.96Å; V126-F142 HydrophobicContact CB-CD1 4.22Å; V126-F142 HydrophobicContact CB-CD2 4.09Å; V126-F142 HydrophobicContact CB-CG 3.82Å; V126-F142 HydrophobicContact CG1-CB 4.48Å; V126-F142 HydrophobicContact CG1-CD1 4.08Å; V126-F142 HydrophobicContact CG1-CD2 3.69Å; V126-F142 HydrophobicContact CG1-CE1 4.2Å; V126-F142 HydrophobicContact CG1-CE2 3.84Å; V126-F142 HydrophobicContact CG1-CG 3.81Å; V126-F142 HydrophobicContact CG1-CZ 4.08Å; V126-F142 HydrophobicContact CG2-CB 3.85Å; V126-F142 HydrophobicContact CG2-CD1 3.73Å; V126-F142 HydrophobicContact CG2-CD2 4.49Å; V126-F142 HydrophobicContact CG2-CE1 4.41Å; V126-F142 HydrophobicContact CG2-CG 3.76Å; H138-F142 PolarHBondContact O-N 2.89Å; L139-F142 WeakPolarHBondContact O-CB 3.49Å; L139-F142 PolarHBondContact O-N 3.28Å; F142-K144 PolarHBondContact O-N 2.83Å; F142-S145 VanDerWaalsContact O-CB 3.29Å; F142-S145 WeakPolarHBondContact O-CB 3.38Å; F142-S145 PolarHBondContact O-N 3.46Å; F142-S145 PolarHBondContact O-OG 3.48Å; F142-E147 HydrophobicContact CE2-CB 4.33Å; F142-C148 HydrophobicContact CD1-CB 4.46Å; F142-C148 HydrophobicContact CE1-CB 4.12Å; F142-C148 HydrophobicContact CZ-CB 4.39Å; F142-L155 HydrophobicContact CE1-CD1 3.99Å; F142-L155 HydrophobicContact CE1-CD2 3.8Å; F142-L155 HydrophobicContact CE1-CG 4.49Å; F142-L155 HydrophobicContact CZ-CD2 3.87Å |
| 143 | L | 89.1 | Confident | 82.4 | Confident | 21 Ų | 21 | 53.9 Ų | 53.9 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.4 | -22.5 | 176 | -70.6 | 176.3 | 0 | 0 | 0 | 113.7 | L139 I152 A172 F173 K176 | L139-L143 HydrophobicContact CD1-CG 4.31Å; L139-L143 HydrophobicContact CG-CD1 4.05Å; L139-L143 HydrophobicContact CG-CG 4.29Å; L139-L143 WeakPolarHBondContact O-CB 3.39Å; L139-L143 WeakPolarHBondContact O-CG 3.42Å; L139-L143 PolarHBondContact O-N 2.85Å; L143-I152 HydrophobicContact CD2-CD1 3.53Å; L143-A172 HydrophobicContact CD1-CB 3.75Å; L143-F173 HydrophobicContact CD2-CB 4.06Å; L143-F173 HydrophobicContact CD2-CD2 3.59Å; L143-F173 HydrophobicContact CD2-CG 4.32Å; L143-K176 HydrophobicContact CB-CB 4.49Å; L143-K176 HydrophobicContact CB-CG 4.29Å |
| 144 | K | 84.9 | Confident | 83.8 | Confident | 136 Ų | 136 | 55 Ų | 55 | 59% | 0.591 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -9.7 | 173.7 | -71.4 | 168.2 | -173.4 | 172.9 | 0 | 112.8 | S140 C141 F142 | S140-K144 WeakPolarHBondContact O-CD 3.44Å; S140-K144 VanDerWaalsContact O-CG 3.29Å; S140-K144 WeakPolarHBondContact O-CG 3.29Å; S140-K144 PolarHBondContact O-N 3.29Å; C141-K144 PolarHBondContact O-N 2.83Å; F142-K144 PolarHBondContact O-N 2.83Å |
| 145 | S | 81.1 | Confident | 84.6 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -82.3 | 151.1 | -179.4 | 81.5 | 0 | 0 | 0 | 0 | 111.1 | C141 F142 E147 C148 | C141-S145 PolarHBondContact O-N 3.17Å; F142-S145 VanDerWaalsContact O-CB 3.29Å; F142-S145 WeakPolarHBondContact O-CB 3.38Å; F142-S145 PolarHBondContact O-N 3.46Å; F142-S145 PolarHBondContact O-OG 3.48Å; S145-E147 PolarHBondContact O-N 3.43Å; S145-E147 PolarHBondContact OG-N 3.43Å; S145-C148 PolarHBondContact O-N 3.01Å |
| 146 | N | 75.3 | Confident | 84.8 | Confident | 176 Ų | 176 | 52.6 Ų | 52.6 | 94% | 0.941 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 3.9 | 171.3 | -64.9 | -6.6 | 0 | 0 | 0 | 112.8 | ||
| 147 | E | 79.3 | Confident | 84.7 | Confident | 59 Ų | 59 | 51.8 Ų | 51.8 | 28% | 0.276 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -2.1 | -178.1 | -58.4 | -163.2 | 145.5 | 0 | 0 | 113.2 | R99 F101 F135 F142 S145 | R99-E147 IonicContact CZ-OE1 2.7Å; R99-E147 IonicContact NH1-OE1 3.14Å; R99-E147 PolarHBondContact NH1-OE1 3.31Å; F101-E147 HydrophobicContact CE1-CB 4.11Å; F101-E147 WeakPolarHBondContact CE1-OE2 3.48Å; F101-E147 HydrophobicContact CE2-CB 4.37Å; F101-E147 WeakPolarHBondContact CE2-O 3.21Å; F101-E147 HydrophobicContact CZ-CB 3.69Å; F101-E147 HydrophobicContact CZ-CG 4.34Å; F135-E147 WeakPolarHBondContact CE1-OE2 3.4Å; F135-E147 WeakPolarHBondContact CZ-OE2 3.29Å; F142-E147 HydrophobicContact CE2-CB 4.33Å; S145-E147 PolarHBondContact O-N 3.43Å; S145-E147 PolarHBondContact OG-N 3.43Å |
| 148 | C | 80.7 | Confident | 84.7 | Confident | 33 Ų | 33 | 52.4 Ų | 52.4 | 22% | 0.223 | 28% | 0.28 | C | S | . | . | trans | -71.7 | 127.3 | 178.3 | -164.9 | 0 | 0 | 0 | 0 | 111.4 | F142 S145 | F142-C148 HydrophobicContact CD1-CB 4.46Å; F142-C148 HydrophobicContact CE1-CB 4.12Å; F142-C148 HydrophobicContact CZ-CB 4.39Å; S145-C148 PolarHBondContact O-N 3.01Å | ||
| 149 | P | 80.3 | Confident | 84.4 | Confident | 31 Ų | 31 | 58.6 Ų | 58.6 | 20% | 0.201 | 31% | 0.313 | C | S | . | . | trans | -68.8 | 157.9 | 177.4 | 28.9 | -34.6 | 0 | 0 | 0 | 112.2 | D151 L155 F173 | P149-D151 PolarHBondContact O-N 2.99Å; P149-L155 HydrophobicContact CG-CD2 4.12Å; P149-F173 WeakPolarHBondContact O-CE2 3.47Å | ||
| 150 | E | 75.9 | Confident | 84.1 | Confident | 195 Ų | 195 | 67.5 Ų | 67.5 | 91% | 0.911 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -63.7 | -20.1 | 175.9 | -68.3 | -170.8 | 165.4 | 0 | 0 | 113.5 | F173 | E150-F173 VanDerWaalsContact O-CZ 3.29Å; E150-F173 WeakPolarHBondContact O-CZ 3.43Å |
| 151 | D | 82.3 | Confident | 84 | Confident | 66 Ų | 66 | 66.5 Ų | 66.5 | 35% | 0.353 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -129.4 | 109.7 | 175.2 | 174.6 | 8.8 | 0 | 0 | 0 | 109.4 | P149 S153 Q154 | P149-D151 PolarHBondContact O-N 2.99Å; D151-S153 PolarHBondContact O-N 2.88Å; D151-S153 VanDerWaalsContact OD1-CB 3.31Å; D151-S153 WeakPolarHBondContact OD1-CB 3.36Å; D151-S153 PolarHBondContact OD1-N 3.34Å; D151-S153 PolarHBondContact OD1-OG 3.11Å; D151-S153 PolarHBondContact OD2-OG 2.91Å; D151-Q154 HydrophobicContact CB-CG 4.01Å; D151-Q154 WeakPolarHBondContact O-CB 3.35Å; D151-Q154 WeakPolarHBondContact O-CG 3.33Å; D151-Q154 PolarHBondContact O-N 3.32Å; D151-Q154 VanDerWaalsContact O-N 3.17Å |
| 152 | I | 86.2 | Confident | 83.8 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.015 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -68.4 | -17.8 | -177.1 | -158.7 | 153.1 | 0 | 0 | 0 | 113.7 | L139 L143 Q154 L155 V169 V170 F173 | L139-I152 HydrophobicContact CD1-CD1 4.09Å; L143-I152 HydrophobicContact CD2-CD1 3.53Å; I152-Q154 PolarHBondContact O-N 2.88Å; I152-L155 HydrophobicContact CD1-CD1 4.22Å; I152-L155 HydrophobicContact CG1-CD1 3.62Å; I152-L155 HydrophobicContact CG1-CG 4.18Å; I152-L155 WeakPolarHBondContact O-CG 3.25Å; I152-L155 PolarHBondContact O-N 3.43Å; I152-V169 HydrophobicContact CD1-CG1 3.77Å; I152-V169 HydrophobicContact CG1-CG1 3.83Å; I152-V169 HydrophobicContact CG2-CG1 4.29Å; I152-V170 HydrophobicContact CG2-CG2 4.17Å; I152-F173 HydrophobicContact CB-CB 4.13Å; I152-F173 HydrophobicContact CB-CD1 4.25Å; I152-F173 HydrophobicContact CB-CD2 3.87Å; I152-F173 HydrophobicContact CB-CE2 4.34Å; I152-F173 HydrophobicContact CB-CG 3.83Å; I152-F173 HydrophobicContact CD1-CB 3.82Å; I152-F173 HydrophobicContact CD1-CD2 3.85Å; I152-F173 HydrophobicContact CD1-CG 4.11Å; I152-F173 HydrophobicContact CG1-CD2 4.41Å; I152-F173 HydrophobicContact CG2-CB 3.83Å; I152-F173 HydrophobicContact CG2-CD1 4.08Å; I152-F173 HydrophobicContact CG2-CD2 4.43Å; I152-F173 HydrophobicContact CG2-CG 3.87Å |
| 153 | S | 83.7 | Confident | 83.4 | Confident | 50 Ų | 50 | 73.3 Ų | 73.3 | 35% | 0.35 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -68.6 | -12.6 | 175.3 | 75.1 | 0 | 0 | 0 | 0 | 112.7 | D151 L155 | D151-S153 PolarHBondContact O-N 2.88Å; D151-S153 VanDerWaalsContact OD1-CB 3.31Å; D151-S153 WeakPolarHBondContact OD1-CB 3.36Å; D151-S153 PolarHBondContact OD1-N 3.34Å; D151-S153 PolarHBondContact OD1-OG 3.11Å; D151-S153 PolarHBondContact OD2-OG 2.91Å; S153-L155 VanDerWaalsContact C-N 3.29Å; S153-L155 PolarHBondContact O-N 2.83Å |
| 154 | Q | 83 | Confident | 83.2 | Confident | 138 Ų | 138 | 77.2 Ų | 77.2 | 65% | 0.645 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -79.1 | -6.5 | 176.6 | -60 | -175.5 | 5.2 | 0 | 0 | 114 | D151 I152 V156 | D151-Q154 HydrophobicContact CB-CG 4.01Å; D151-Q154 WeakPolarHBondContact O-CB 3.35Å; D151-Q154 WeakPolarHBondContact O-CG 3.33Å; D151-Q154 PolarHBondContact O-N 3.32Å; D151-Q154 VanDerWaalsContact O-N 3.17Å; I152-Q154 PolarHBondContact O-N 2.88Å; Q154-V156 PolarHBondContact O-N 3.14Å |
| 155 | L | 84.8 | Confident | 83.5 | Confident | 9 Ų | 9 | 71.1 Ų | 71.1 | 5% | 0.047 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -64.3 | 133.7 | 176 | -65.5 | -179.5 | 0 | 0 | 0 | 111 | F101 V103 V126 F142 P149 I152 S153 G157 F158 | F101-L155 HydrophobicContact CB-CD2 3.59Å; V103-L155 HydrophobicContact CB-CB 4.11Å; V103-L155 HydrophobicContact CB-CD1 3.97Å; V103-L155 HydrophobicContact CG1-CB 3.84Å; V103-L155 HydrophobicContact CG1-CD1 4.42Å; V126-L155 HydrophobicContact CG2-CD1 4.38Å; F142-L155 HydrophobicContact CE1-CD1 3.99Å; F142-L155 HydrophobicContact CE1-CD2 3.8Å; F142-L155 HydrophobicContact CE1-CG 4.49Å; F142-L155 HydrophobicContact CZ-CD2 3.87Å; P149-L155 HydrophobicContact CG-CD2 4.12Å; I152-L155 HydrophobicContact CD1-CD1 4.22Å; I152-L155 HydrophobicContact CG1-CD1 3.62Å; I152-L155 HydrophobicContact CG1-CG 4.18Å; I152-L155 WeakPolarHBondContact O-CG 3.25Å; I152-L155 PolarHBondContact O-N 3.43Å; S153-L155 VanDerWaalsContact C-N 3.29Å; S153-L155 PolarHBondContact O-N 2.83Å; L155-G157 PolarHBondContact O-N 3.23Å; L155-F158 VanDerWaalsContact O-CB 3.26Å; L155-F158 WeakPolarHBondContact O-CB 3.4Å; L155-F158 PolarHBondContact O-N 2.95Å; L155-F158 VanDerWaalsContact O-N 3.08Å |
| 156 | V | 85.9 | Confident | 83.8 | Confident | 72 Ų | 72 | 72.5 Ų | 72.5 | 44% | 0.436 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -61.1 | 129.7 | 175.5 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | F101 T102 V103 Q154 | F101-V156 WeakPolarHBondContact O-CB 3.19Å; F101-V156 PolarHBondContact O-N 3.28Å; T102-V156 CarbonylContact C-O 3.53Å; T102-V156 WeakPolarHBondContact CA-O 3.47Å; T102-V156 HydrophobicContact CG2-CB 4.35Å; T102-V156 HydrophobicContact CG2-CG1 4.28Å; T102-V156 WeakPolarHBondContact CG2-O 3.29Å; V103-V156 PolarHBondContact N-O 2.52Å; Q154-V156 PolarHBondContact O-N 3.14Å |
| 157 | G | 84.5 | Confident | 84.3 | Confident | 15 Ų | 15 | 69.1 Ų | 69.1 | 16% | 0.155 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -6.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L155 N159 K160 L161 | L155-G157 PolarHBondContact O-N 3.23Å; G157-N159 VanDerWaalsContact C-N 3.34Å; G157-N159 PolarHBondContact O-N 2.75Å; G157-K160 WeakPolarHBondContact O-CA 3.35Å; G157-K160 WeakPolarHBondContact O-CB 3.34Å; G157-K160 PolarHBondContact O-N 3.18Å; G157-L161 PolarHBondContact O-N 2.63Å |
| 158 | F | 88.7 | Confident | 84.7 | Confident | 14 Ų | 14 | 68.2 Ų | 68.2 | 6% | 0.061 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -55.4 | -48.9 | 174.4 | -176.8 | -94.5 | 0 | 0 | 0 | 111.5 | V103 L155 K160 L161 Q166 V169 V170 | V103-F158 HydrophobicContact CG1-CB 4.01Å; V103-F158 VanDerWaalsContact CG1-N 3.35Å; L155-F158 VanDerWaalsContact O-CB 3.26Å; L155-F158 WeakPolarHBondContact O-CB 3.4Å; L155-F158 PolarHBondContact O-N 2.95Å; L155-F158 VanDerWaalsContact O-N 3.08Å; F158-K160 PolarHBondContact O-N 3.27Å; F158-K160 VanDerWaalsContact O-N 3.07Å; F158-L161 WeakPolarHBondContact O-CB 3.49Å; F158-L161 PolarHBondContact O-N 2.7Å; F158-L161 VanDerWaalsContact O-N 3.13Å; F158-Q166 HydrophobicContact CE1-CB 4.25Å; F158-Q166 HydrophobicContact CE1-CG 4.15Å; F158-Q166 HydrophobicContact CE2-CB 4.34Å; F158-Q166 HydrophobicContact CZ-CB 3.85Å; F158-Q166 HydrophobicContact CZ-CG 4.15Å; F158-Q166 WeakPolarHBondContact O-CG 3.17Å; F158-V169 HydrophobicContact CD2-CG1 4.13Å; F158-V169 HydrophobicContact CE2-CB 4.08Å; F158-V169 HydrophobicContact CE2-CG1 3.9Å; F158-V170 HydrophobicContact CE2-CG2 3.95Å; F158-V170 HydrophobicContact CZ-CG2 3.65Å |
| 159 | N | 86.3 | Confident | 85.2 | Confident | 136 Ų | 136 | 66.6 Ų | 66.6 | 73% | 0.727 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -68.7 | -4.2 | 176.5 | -59.7 | -17.4 | 0 | 0 | 0 | 114.5 | G157 | G157-N159 VanDerWaalsContact C-N 3.34Å; G157-N159 PolarHBondContact O-N 2.75Å |
| 160 | K | 85.9 | Confident | 85.5 | Confident | 192 Ų | 192 | 66.9 Ų | 66.9 | 84% | 0.835 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -98.1 | -9.9 | 175.5 | -61.7 | -174.6 | 176.6 | -174.7 | 0 | 112.8 | G157 F158 | G157-K160 WeakPolarHBondContact O-CA 3.35Å; G157-K160 WeakPolarHBondContact O-CB 3.34Å; G157-K160 PolarHBondContact O-N 3.18Å; F158-K160 PolarHBondContact O-N 3.27Å; F158-K160 VanDerWaalsContact O-N 3.07Å |
| 161 | L | 86.8 | Confident | 86.1 | Confident | 16 Ų | 16 | 62.4 Ų | 62.4 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -74.1 | 152.5 | 173.4 | -64.8 | 177.4 | 0 | 0 | 0 | 110 | V103 L105 G157 F158 D165 Q166 V169 | V103-L161 HydrophobicContact CG1-CD1 4.09Å; V103-L161 HydrophobicContact CG2-CD1 4.16Å; L105-L161 HydrophobicContact CG-CD2 4.37Å; G157-L161 PolarHBondContact O-N 2.63Å; F158-L161 WeakPolarHBondContact O-CB 3.49Å; F158-L161 PolarHBondContact O-N 2.7Å; F158-L161 VanDerWaalsContact O-N 3.13Å; L161-D165 HydrophobicContact CB-CB 3.85Å; L161-D165 HydrophobicContact CD1-CB 4.44Å; L161-D165 HydrophobicContact CD2-CB 4.36Å; L161-D165 HydrophobicContact CG-CB 4.44Å; L161-Q166 HydrophobicContact CB-CG 3.85Å; L161-Q166 PolarHBondContact O-NE2 2.86Å; L161-V169 HydrophobicContact CD1-CG2 3.86Å |
| 162 | S | 85.2 | Confident | 86.3 | Confident | 57 Ų | 57 | 60.5 Ų | 60.5 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | trans | -61.3 | 157.2 | 169.5 | 76.9 | 0 | 0 | 0 | 0 | 110.2 | V164 D165 Q166 | S162-V164 PolarHBondContact O-N 3.41Å; S162-D165 PolarHBondContact O-N 2.99Å; S162-D165 PolarHBondContact OG-N 3.43Å; S162-D165 PolarHBondContact OG-OD2 3.01Å; S162-Q166 WeakPolarHBondContact O-CG 3.48Å; S162-Q166 PolarHBondContact O-N 2.76Å | ||
| 163 | T | 80.8 | Confident | 86.4 | Confident | 102 Ų | 102 | 62.3 Ų | 62.3 | 63% | 0.626 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -53.3 | -39.7 | 177.8 | -45 | 0 | 0 | 0 | 0 | 112 | D165 Q166 D167 | T163-D165 VanDerWaalsContact C-N 3.34Å; T163-D165 PolarHBondContact O-N 3.32Å; T163-Q166 PolarHBondContact O-N 3.11Å; T163-D167 PolarHBondContact O-N 3.27Å |
| 164 | V | 85.6 | Confident | 86.4 | Confident | 103 Ų | 103 | 67.6 Ų | 67.6 | 62% | 0.624 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.1 | -40.9 | 177 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | S162 A168 | S162-V164 PolarHBondContact O-N 3.41Å; V164-A168 WeakPolarHBondContact O-CB 3.29Å; V164-A168 PolarHBondContact O-N 2.66Å; V164-A168 VanDerWaalsContact O-N 3.1Å |
| 165 | D | 91.2 | Very high | 86.3 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 4% | 0.037 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -74.7 | -36 | 179.2 | -65.8 | -47 | 0 | 0 | 0 | 111.8 | R123 H124 L161 S162 T163 A168 V169 | R123-D165 IonicContact CZ-OD1 3.5Å; R123-D165 IonicContact NE-OD1 3.58Å; R123-D165 PolarHBondContact NE-OD1 3.4Å; R123-D165 IonicContact NH2-OD1 3.21Å; R123-D165 PolarHBondContact NH2-OD1 3.18Å; R123-D165 IonicContact NH2-OD2 3.51Å; H124-D165 WeakPolarHBondContact NE2-CB 3.33Å; H124-D165 IonicContact NE2-OD1 2.71Å; L161-D165 HydrophobicContact CB-CB 3.85Å; L161-D165 HydrophobicContact CD1-CB 4.44Å; L161-D165 HydrophobicContact CD2-CB 4.36Å; L161-D165 HydrophobicContact CG-CB 4.44Å; S162-D165 PolarHBondContact O-N 2.99Å; S162-D165 PolarHBondContact OG-N 3.43Å; S162-D165 PolarHBondContact OG-OD2 3.01Å; T163-D165 VanDerWaalsContact C-N 3.34Å; T163-D165 PolarHBondContact O-N 3.32Å; D165-A168 PolarHBondContact O-N 3.06Å; D165-V169 VanDerWaalsContact O-CG2 3.31Å; D165-V169 WeakPolarHBondContact O-CG2 3.3Å; D165-V169 PolarHBondContact O-N 3.13Å |
| 166 | Q | 88.2 | Confident | 85.7 | Confident | 48 Ų | 48 | 68.3 Ų | 68.3 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 172.9 | -68.6 | 177 | 19.7 | 0 | 0 | 111.2 | F158 L161 S162 T163 A168 V169 V170 | F158-Q166 HydrophobicContact CE1-CB 4.25Å; F158-Q166 HydrophobicContact CE1-CG 4.15Å; F158-Q166 HydrophobicContact CE2-CB 4.34Å; F158-Q166 HydrophobicContact CZ-CB 3.85Å; F158-Q166 HydrophobicContact CZ-CG 4.15Å; F158-Q166 WeakPolarHBondContact O-CG 3.17Å; L161-Q166 HydrophobicContact CB-CG 3.85Å; L161-Q166 PolarHBondContact O-NE2 2.86Å; S162-Q166 WeakPolarHBondContact O-CG 3.48Å; S162-Q166 PolarHBondContact O-N 2.76Å; T163-Q166 PolarHBondContact O-N 3.11Å; Q166-A168 VanDerWaalsContact C-N 3.32Å; Q166-A168 PolarHBondContact O-N 2.69Å; Q166-V169 PolarHBondContact O-N 3.18Å; Q166-V170 WeakPolarHBondContact O-CG2 3.37Å; Q166-V170 PolarHBondContact O-N 2.98Å |
| 167 | D | 85.8 | Confident | 84.8 | Confident | 106 Ų | 106 | 67.5 Ų | 67.5 | 57% | 0.567 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61 | -41.9 | 177.1 | -74.4 | -23.2 | 0 | 0 | 0 | 111.4 | T163 V169 V170 L171 | T163-D167 PolarHBondContact O-N 3.27Å; D167-V169 PolarHBondContact O-N 3.2Å; D167-V170 PolarHBondContact O-N 3.25Å; D167-L171 VanDerWaalsContact O-CB 3.3Å; D167-L171 WeakPolarHBondContact O-CB 3.48Å; D167-L171 PolarHBondContact O-N 2.65Å |
| 168 | A | 87.8 | Confident | 83.7 | Confident | 39 Ų | 39 | 74.1 Ų | 74.1 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V164 D165 Q166 L171 A172 | V164-A168 WeakPolarHBondContact O-CB 3.29Å; V164-A168 PolarHBondContact O-N 2.66Å; V164-A168 VanDerWaalsContact O-N 3.1Å; D165-A168 PolarHBondContact O-N 3.06Å; Q166-A168 VanDerWaalsContact C-N 3.32Å; Q166-A168 PolarHBondContact O-N 2.69Å; A168-L171 PolarHBondContact O-N 2.92Å; A168-A172 PolarHBondContact O-N 3.45Å |
| 169 | V | 89.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | V103 H124 L139 I152 F158 L161 D165 Q166 D167 A172 F173 | V103-V169 HydrophobicContact CG2-CG2 4.38Å; H124-V169 HydrophobicContact CB-CG2 4.44Å; L139-V169 HydrophobicContact CD1-CG1 4.29Å; L139-V169 HydrophobicContact CD2-CB 4.3Å; L139-V169 HydrophobicContact CD2-CG1 4.3Å; L139-V169 HydrophobicContact CD2-CG2 3.97Å; I152-V169 HydrophobicContact CD1-CG1 3.77Å; I152-V169 HydrophobicContact CG1-CG1 3.83Å; I152-V169 HydrophobicContact CG2-CG1 4.29Å; F158-V169 HydrophobicContact CD2-CG1 4.13Å; F158-V169 HydrophobicContact CE2-CB 4.08Å; F158-V169 HydrophobicContact CE2-CG1 3.9Å; L161-V169 HydrophobicContact CD1-CG2 3.86Å; D165-V169 VanDerWaalsContact O-CG2 3.31Å; D165-V169 WeakPolarHBondContact O-CG2 3.3Å; D165-V169 PolarHBondContact O-N 3.13Å; Q166-V169 PolarHBondContact O-N 3.18Å; D167-V169 PolarHBondContact O-N 3.2Å; V169-A172 PolarHBondContact O-N 3.06Å; V169-F173 PolarHBondContact O-N 2.67Å; V169-F173 VanDerWaalsContact O-N 3.14Å |
| 170 | V | 88 | Confident | 80.4 | Confident | 37 Ų | 37 | 79.6 Ų | 79.6 | 22% | 0.224 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 177.4 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | I152 F158 Q166 D167 F173 R174 | I152-V170 HydrophobicContact CG2-CG2 4.17Å; F158-V170 HydrophobicContact CE2-CG2 3.95Å; F158-V170 HydrophobicContact CZ-CG2 3.65Å; Q166-V170 WeakPolarHBondContact O-CG2 3.37Å; Q166-V170 PolarHBondContact O-N 2.98Å; D167-V170 PolarHBondContact O-N 3.25Å; V170-F173 PolarHBondContact O-N 2.94Å; V170-R174 WeakPolarHBondContact O-CG 3.22Å; V170-R174 PolarHBondContact O-N 3.22Å |
| 171 | L | 87.3 | Confident | 78.5 | Confident | 100 Ų | 100 | 81.1 Ų | 81.1 | 52% | 0.524 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.3 | -49.9 | 176.2 | -165.4 | 94.5 | 0 | 0 | 0 | 110.8 | D167 A168 F173 R174 E175 | D167-L171 VanDerWaalsContact O-CB 3.3Å; D167-L171 WeakPolarHBondContact O-CB 3.48Å; D167-L171 PolarHBondContact O-N 2.65Å; A168-L171 PolarHBondContact O-N 2.92Å; L171-F173 VanDerWaalsContact C-N 3.3Å; L171-F173 PolarHBondContact O-N 2.89Å; L171-R174 PolarHBondContact O-N 2.62Å; L171-R174 VanDerWaalsContact O-N 3.12Å; L171-E175 WeakPolarHBondContact O-CG 3.44Å; L171-E175 PolarHBondContact O-N 2.95Å |
| 172 | A | 86.5 | Confident | 76 | Confident | 27 Ų | 27 | 89.2 Ų | 89.2 | 22% | 0.223 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L139 L143 A168 V169 K176 | L139-A172 HydrophobicContact CD2-CB 3.99Å; L143-A172 HydrophobicContact CD1-CB 3.75Å; A168-A172 PolarHBondContact O-N 3.45Å; V169-A172 PolarHBondContact O-N 3.06Å; A172-K176 PolarHBondContact O-N 3.08Å; A172-K176 VanDerWaalsContact O-N 3.14Å |
| 173 | F | 88.7 | Confident | 73.5 | Confident | 40 Ų | 40 | 98.1 Ų | 98.1 | 18% | 0.175 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 175.2 | -177.5 | -106.9 | 0 | 0 | 0 | 112.8 | L143 P149 E150 I152 V169 V170 L171 S177 | L143-F173 HydrophobicContact CD2-CB 4.06Å; L143-F173 HydrophobicContact CD2-CD2 3.59Å; L143-F173 HydrophobicContact CD2-CG 4.32Å; P149-F173 WeakPolarHBondContact O-CE2 3.47Å; E150-F173 VanDerWaalsContact O-CZ 3.29Å; E150-F173 WeakPolarHBondContact O-CZ 3.43Å; I152-F173 HydrophobicContact CB-CB 4.13Å; I152-F173 HydrophobicContact CB-CD1 4.25Å; I152-F173 HydrophobicContact CB-CD2 3.87Å; I152-F173 HydrophobicContact CB-CE2 4.34Å; I152-F173 HydrophobicContact CB-CG 3.83Å; I152-F173 HydrophobicContact CD1-CB 3.82Å; I152-F173 HydrophobicContact CD1-CD2 3.85Å; I152-F173 HydrophobicContact CD1-CG 4.11Å; I152-F173 HydrophobicContact CG1-CD2 4.41Å; I152-F173 HydrophobicContact CG2-CB 3.83Å; I152-F173 HydrophobicContact CG2-CD1 4.08Å; I152-F173 HydrophobicContact CG2-CD2 4.43Å; I152-F173 HydrophobicContact CG2-CG 3.87Å; V169-F173 PolarHBondContact O-N 2.67Å; V169-F173 VanDerWaalsContact O-N 3.14Å; V170-F173 PolarHBondContact O-N 2.94Å; L171-F173 VanDerWaalsContact C-N 3.3Å; L171-F173 PolarHBondContact O-N 2.89Å; F173-S177 WeakPolarHBondContact O-CB 3.27Å; F173-S177 PolarHBondContact O-N 2.86Å; F173-S177 VanDerWaalsContact O-N 3.12Å; F173-S177 PolarHBondContact O-OG 3.36Å |
| 174 | R | 83.4 | Confident | 71.1 | Confident | 162 Ų | 162 | 99.9 Ų | 99.9 | 61% | 0.611 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.3 | -40.1 | 177.9 | -74.8 | 176.8 | 177.4 | 178.2 | 2 | 112.4 | V170 L171 S177 K178 | V170-R174 WeakPolarHBondContact O-CG 3.22Å; V170-R174 PolarHBondContact O-N 3.22Å; L171-R174 PolarHBondContact O-N 2.62Å; L171-R174 VanDerWaalsContact O-N 3.12Å; R174-S177 PolarHBondContact O-N 2.86Å; R174-K178 WeakPolarHBondContact O-CG 3.31Å; R174-K178 PolarHBondContact O-N 3.02Å |
| 175 | E | 81.1 | Confident | 68.5 | Low | 116 Ų | 116 | 98.6 Ų | 98.6 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 177.1 | -73.8 | -178.1 | 164.3 | 0 | 0 | 111.2 | L171 S177 K178 E179 | L171-E175 WeakPolarHBondContact O-CG 3.44Å; L171-E175 PolarHBondContact O-N 2.95Å; E175-S177 VanDerWaalsContact C-N 3.34Å; E175-S177 PolarHBondContact O-N 3.47Å; E175-K178 WeakPolarHBondContact O-CB 3.12Å; E175-K178 PolarHBondContact O-N 3.3Å; E175-K178 VanDerWaalsContact O-N 3.1Å; E175-E179 PolarHBondContact O-N 3.06Å |
| 176 | K | 73.5 | Confident | 65.9 | Low | 45 Ų | 45 | 107.3 Ų | 107.3 | 20% | 0.196 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -66.9 | -36.1 | 179 | -165.7 | 48.2 | 168.4 | 167.3 | 0 | 113.1 | L143 A172 K178 E179 N180 | L143-K176 HydrophobicContact CB-CB 4.49Å; L143-K176 HydrophobicContact CB-CG 4.29Å; A172-K176 PolarHBondContact O-N 3.08Å; A172-K176 VanDerWaalsContact O-N 3.14Å; K176-K178 PolarHBondContact O-N 3.2Å; K176-E179 HydrophobicContact CD-CB 4.45Å; K176-E179 WeakPolarHBondContact CD-OE2 3.29Å; K176-E179 IonicContact NZ-OE2 3.84Å; K176-E179 PolarHBondContact NZ-OE2 3.49Å; K176-E179 PolarHBondContact O-N 2.83Å; K176-N180 PolarHBondContact O-N 2.84Å |
| 177 | S | 65 | Low | 63.2 | Low | 56 Ų | 56 | 113.9 Ų | 113.9 | 39% | 0.392 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.2 | -25.2 | 173.9 | -60.3 | 0 | 0 | 0 | 0 | 113.3 | F173 R174 E175 | F173-S177 WeakPolarHBondContact O-CB 3.27Å; F173-S177 PolarHBondContact O-N 2.86Å; F173-S177 VanDerWaalsContact O-N 3.12Å; F173-S177 PolarHBondContact O-OG 3.36Å; R174-S177 PolarHBondContact O-N 2.86Å; E175-S177 VanDerWaalsContact C-N 3.34Å; E175-S177 PolarHBondContact O-N 3.47Å |
| 178 | K | 62.7 | Low | 60.9 | Low | 153 Ų | 153 | 114.2 Ų | 114.2 | 67% | 0.665 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -82.8 | -33.5 | 175.7 | -71.6 | 174.7 | 179.8 | 178.9 | 0 | 113 | R174 E175 K176 N180 R181 | R174-K178 WeakPolarHBondContact O-CG 3.31Å; R174-K178 PolarHBondContact O-N 3.02Å; E175-K178 WeakPolarHBondContact O-CB 3.12Å; E175-K178 PolarHBondContact O-N 3.3Å; E175-K178 VanDerWaalsContact O-N 3.1Å; K176-K178 PolarHBondContact O-N 3.2Å; K178-N180 VanDerWaalsContact C-N 3.34Å; K178-N180 PolarHBondContact O-N 3.44Å; K178-R181 PolarHBondContact O-N 3.3Å |
| 179 | E | 55.9 | Low | 58.3 | Low | 130 Ų | 130 | 121.1 Ų | 121.1 | 61% | 0.607 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.3 | -33.3 | 177.7 | -77.6 | -172.5 | 154.2 | 0 | 0 | 113.2 | E175 K176 R181 | E175-E179 PolarHBondContact O-N 3.06Å; K176-E179 HydrophobicContact CD-CB 4.45Å; K176-E179 WeakPolarHBondContact CD-OE2 3.29Å; K176-E179 IonicContact NZ-OE2 3.84Å; K176-E179 PolarHBondContact NZ-OE2 3.49Å; K176-E179 PolarHBondContact O-N 2.83Å; E179-R181 PolarHBondContact O-N 2.8Å; E179-R181 VanDerWaalsContact O-N 3.17Å |
| 180 | N | 49.3 | Very low | 55.8 | Low | 135 Ų | 135 | 128.4 Ų | 128.4 | 72% | 0.722 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -3 | 178.3 | -74.5 | -11.2 | 0 | 0 | 0 | 114 | K176 K178 | K176-N180 PolarHBondContact O-N 2.84Å; K178-N180 VanDerWaalsContact C-N 3.34Å; K178-N180 PolarHBondContact O-N 3.44Å |
| 181 | R | 46 | Very low | 53.3 | Low | 224 Ų | 224 | 131.8 Ų | 131.8 | 85% | 0.845 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 8.7 | -176.7 | -70.5 | -175.5 | 175.3 | -177.9 | -0 | 115.2 | K178 E179 | K178-R181 PolarHBondContact O-N 3.3Å; E179-R181 PolarHBondContact O-N 2.8Å; E179-R181 VanDerWaalsContact O-N 3.17Å |
| 182 | K | 34.3 | Very low | 50.7 | Low | 187 Ų | 187 | 130.8 Ų | 130.8 | 81% | 0.813 | 65% | 0.645 | S | S | * | * | trans | -113.4 | 80.2 | -179.6 | -72.7 | -174.5 | 176.9 | -179.8 | 0 | 113.5 | ||||
| 183 | R | 31.8 | Very low | 48.4 | Very low | 244 Ų | 244 | 137.5 Ų | 137.5 | 92% | 0.921 | 67% | 0.669 | S | S | * | * | trans | -149.2 | 127.6 | 153.6 | -81.7 | -167 | 174.6 | 174.6 | -3 | 110.2 | ||||
| 184 | P | 31.1 | Very low | 46 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 90% | 0.903 | 69% | 0.691 | S | S | * | * | trans | -108.2 | 153.5 | -176.3 | 37.4 | -28.8 | 0 | 0 | 0 | 114.8 | ||||
| 185 | G | 31.5 | Very low | 43.5 | Very low | 75 Ų | 75 | 140.9 Ų | 140.9 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | trans | 128.5 | 132.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 186 | Q | 36.5 | Very low | 41.2 | Very low | 191 Ų | 191 | 142.4 Ų | 142.4 | 89% | 0.893 | 70% | 0.698 | S | S | * | * | cis | -150.3 | 144.3 | 14.3 | -78.8 | 164.3 | -32.5 | 0 | 0 | 108.6 | ||||
| 187 | Q | 31.8 | Very low | 39.4 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | trans | -85.1 | 130.2 | -178.4 | -73.2 | 172.4 | -12 | 0 | 0 | 111.7 | ||||
| 188 | T | 36.6 | Very low | 37.9 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | -134.1 | 150.2 | 165 | 36.3 | 0 | 0 | 0 | 0 | 109.7 | Q190 D191 | T188-Q190 PolarHBondContact O-N 2.93Å; T188-D191 PolarHBondContact O-N 2.94Å | ||
| 189 | E | 33.7 | Very low | 36.5 | Very low | 183 Ų | 183 | 145.7 Ų | 145.7 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -5.7 | -160.7 | -69.9 | 176 | 130.8 | 0 | 0 | 118.1 | S192 | E189-S192 PolarHBondContact O-OG 3.49Š|
| 190 | Q | 37.4 | Very low | 35.7 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -24.1 | 177 | -76.4 | 177.7 | -14.9 | 0 | 0 | 114.1 | T188 S192 K193 | T188-Q190 PolarHBondContact O-N 2.93Å; Q190-S192 PolarHBondContact O-N 3.19Å; Q190-K193 PolarHBondContact O-N 3.47Å |
| 191 | D | 36 | Very low | 35.7 | Very low | 107 Ų | 107 | 140 Ų | 140 | 57% | 0.572 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -64.6 | -22.4 | 178.6 | -92.4 | -23.1 | 0 | 0 | 0 | 113.8 | T188 K195 | T188-D191 PolarHBondContact O-N 2.94Å; D191-K195 PolarHBondContact O-N 3.46Å |
| 192 | S | 32.2 | Very low | 36.3 | Very low | 80 Ų | 80 | 134.4 Ų | 134.4 | 56% | 0.559 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -72.6 | -31.2 | 179 | 67.6 | 0 | 0 | 0 | 0 | 113 | E189 Q190 | E189-S192 PolarHBondContact O-OG 3.49Å; Q190-S192 PolarHBondContact O-N 3.19Å |
| 193 | K | 38.7 | Very low | 37.7 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 73% | 0.73 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -84.5 | -36.3 | -179.7 | -73.3 | -178.1 | 179.8 | 175 | 0 | 112.6 | Q190 K196 A197 | Q190-K193 PolarHBondContact O-N 3.47Å; K193-K196 PolarHBondContact O-N 2.71Å; K193-A197 PolarHBondContact O-N 3.26Å |
| 194 | L | 37.8 | Very low | 39.5 | Very low | 119 Ų | 119 | 121.6 Ų | 121.6 | 62% | 0.623 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.8 | -37.9 | 174.7 | -96.5 | 110.7 | 0 | 0 | 0 | 112.9 | K196 A197 K198 | L194-K196 VanDerWaalsContact C-N 3.31Å; L194-K196 PolarHBondContact O-N 2.81Å; L194-A197 PolarHBondContact O-N 2.9Å; L194-K198 PolarHBondContact O-N 3.12Å |
| 195 | K | 31.4 | Very low | 41.6 | Very low | 153 Ų | 153 | 120.2 Ų | 120.2 | 67% | 0.665 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -59.1 | -42.4 | 171.2 | -94.4 | 179.9 | 175.5 | 174.6 | 0 | 111.6 | D191 A197 K198 L199 | D191-K195 PolarHBondContact O-N 3.46Å; K195-A197 PolarHBondContact O-N 3.17Å; K195-K198 PolarHBondContact O-N 2.96Å; K195-L199 HydrophobicContact CB-CD1 4.41Å; K195-L199 VanDerWaalsContact O-CB 3.24Å; K195-L199 WeakPolarHBondContact O-CB 3.38Å; K195-L199 VanDerWaalsContact O-CD1 3.32Å; K195-L199 WeakPolarHBondContact O-CD1 3.3Å; K195-L199 PolarHBondContact O-N 3.29Å |
| 196 | K | 31.5 | Very low | 44.1 | Very low | 149 Ų | 149 | 119.7 Ų | 119.7 | 65% | 0.648 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.8 | -37.8 | -179 | -131.2 | 175 | -175.1 | 176.6 | 0 | 113.2 | K193 L194 N200 | K193-K196 PolarHBondContact O-N 2.71Å; L194-K196 VanDerWaalsContact C-N 3.31Å; L194-K196 PolarHBondContact O-N 2.81Å; K196-N200 VanDerWaalsContact O-CG 3.28Å; K196-N200 PolarHBondContact O-N 2.97Å; K196-N200 PolarHBondContact O-OD1 3.12Å |
| 197 | A | 36.1 | Very low | 46.5 | Very low | 60 Ų | 60 | 115 Ų | 115 | 50% | 0.496 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.2 | -37.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K193 L194 K195 N200 G201 | K193-A197 PolarHBondContact O-N 3.26Å; L194-A197 PolarHBondContact O-N 2.9Å; K195-A197 PolarHBondContact O-N 3.17Å; A197-N200 PolarHBondContact O-N 3.44Å; A197-G201 PolarHBondContact O-N 2.88Å |
| 198 | K | 33.3 | Very low | 49.1 | Very low | 162 Ų | 162 | 106.7 Ų | 106.7 | 70% | 0.704 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71 | -40.2 | 174.9 | -147.8 | 173.6 | -174.2 | 176.1 | 0 | 111.7 | L194 K195 N200 G201 D202 | L194-K198 PolarHBondContact O-N 3.12Å; K195-K198 PolarHBondContact O-N 2.96Å; K198-N200 VanDerWaalsContact C-N 3.34Å; K198-N200 PolarHBondContact O-N 3.23Å; K198-G201 PolarHBondContact O-N 3.04Å; K198-D202 PolarHBondContact O-N 3.35Å |
| 199 | L | 34.8 | Very low | 51.6 | Low | 101 Ų | 101 | 106.1 Ų | 106.1 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.2 | -41.3 | 171.2 | -93.6 | 145.1 | 0 | 0 | 0 | 112.2 | K195 G201 D202 V203 | K195-L199 HydrophobicContact CB-CD1 4.41Å; K195-L199 VanDerWaalsContact O-CB 3.24Å; K195-L199 WeakPolarHBondContact O-CB 3.38Å; K195-L199 VanDerWaalsContact O-CD1 3.32Å; K195-L199 WeakPolarHBondContact O-CD1 3.3Å; K195-L199 PolarHBondContact O-N 3.29Å; L199-G201 PolarHBondContact O-N 2.88Å; L199-D202 PolarHBondContact O-N 3.37Å; L199-V203 WeakPolarHBondContact O-CB 3.34Å; L199-V203 WeakPolarHBondContact O-CG2 3.25Å; L199-V203 PolarHBondContact O-N 3.49Å |
| 200 | N | 38 | Very low | 54.4 | Low | 109 Ų | 109 | 103.5 Ų | 103.5 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.6 | -37.8 | -179.6 | -78.6 | -1.9 | 0 | 0 | 0 | 113.4 | K196 A197 K198 E204 | K196-N200 VanDerWaalsContact O-CG 3.28Å; K196-N200 PolarHBondContact O-N 2.97Å; K196-N200 PolarHBondContact O-OD1 3.12Å; A197-N200 PolarHBondContact O-N 3.44Å; K198-N200 VanDerWaalsContact C-N 3.34Å; K198-N200 PolarHBondContact O-N 3.23Å; N200-E204 PolarHBondContact O-N 3.2Å; N200-E204 VanDerWaalsContact O-N 3.12Å |
| 201 | G | 49.1 | Very low | 57 | Low | 36 Ų | 36 | 97.1 Ų | 97.1 | 37% | 0.371 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.1 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A197 K198 L199 Q205 | A197-G201 PolarHBondContact O-N 2.88Å; K198-G201 PolarHBondContact O-N 3.04Å; L199-G201 PolarHBondContact O-N 2.88Å; G201-Q205 PolarHBondContact O-N 2.94Å |
| 202 | D | 59.1 | Low | 59.7 | Low | 106 Ų | 106 | 92.5 Ų | 92.5 | 57% | 0.567 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -68.2 | -36.6 | 176.3 | -69.2 | -20.3 | 0 | 0 | 0 | 111.6 | K198 L199 D206 | K198-D202 PolarHBondContact O-N 3.35Å; L199-D202 PolarHBondContact O-N 3.37Å; D202-D206 WeakPolarHBondContact O-CB 3.5Å; D202-D206 PolarHBondContact O-N 2.91Å |
| 203 | V | 63.9 | Low | 62.6 | Low | 69 Ų | 69 | 93.3 Ų | 93.3 | 42% | 0.418 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | L199 Q205 D206 E207 | L199-V203 WeakPolarHBondContact O-CB 3.34Å; L199-V203 WeakPolarHBondContact O-CG2 3.25Å; L199-V203 PolarHBondContact O-N 3.49Å; V203-Q205 VanDerWaalsContact C-N 3.34Å; V203-Q205 PolarHBondContact O-N 2.97Å; V203-D206 PolarHBondContact O-N 3.36Å; V203-E207 HydrophobicContact CG1-CG 4.44Å; V203-E207 WeakPolarHBondContact O-CG 3.25Å; V203-E207 PolarHBondContact O-N 3.45Å |
| 204 | E | 69.1 | Low | 65.2 | Low | 93 Ų | 93 | 88.4 Ų | 88.4 | 44% | 0.435 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | -179.5 | -169 | 174.5 | -172 | 0 | 0 | 111.9 | N200 E207 L208 | N200-E204 PolarHBondContact O-N 3.2Å; N200-E204 VanDerWaalsContact O-N 3.12Å; E204-E207 PolarHBondContact O-N 3.19Å; E204-L208 WeakPolarHBondContact O-CG 3.39Å; E204-L208 PolarHBondContact O-N 3.33Å |
| 205 | Q | 75.3 | Confident | 67.9 | Low | 110 Ų | 110 | 84 Ų | 84 | 51% | 0.514 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 173.3 | -76.2 | -165.7 | -4.3 | 0 | 0 | 112.8 | G201 V203 E207 L208 R209 | G201-Q205 PolarHBondContact O-N 2.94Å; V203-Q205 VanDerWaalsContact C-N 3.34Å; V203-Q205 PolarHBondContact O-N 2.97Å; Q205-E207 VanDerWaalsContact C-N 3.34Å; Q205-L208 PolarHBondContact O-N 3.3Å; Q205-R209 WeakPolarHBondContact O-CB 3.19Å; Q205-R209 PolarHBondContact O-N 2.96Å |
| 206 | D | 83.5 | Confident | 70.8 | Confident | 65 Ų | 65 | 77.7 Ų | 77.7 | 35% | 0.348 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66 | -37.3 | 177.2 | -172.8 | 54.8 | 0 | 0 | 0 | 111.9 | D202 V203 R209 K210 | D202-D206 WeakPolarHBondContact O-CB 3.5Å; D202-D206 PolarHBondContact O-N 2.91Å; V203-D206 PolarHBondContact O-N 3.36Å; D206-R209 WeakPolarHBondContact O-CB 3.43Å; D206-R209 PolarHBondContact O-N 3.48Å; D206-K210 WeakPolarHBondContact O-CB 3.41Å; D206-K210 VanDerWaalsContact O-CG 3.31Å; D206-K210 WeakPolarHBondContact O-CG 3.34Å; D206-K210 PolarHBondContact O-N 3.32Å; D206-K210 WeakPolarHBondContact OD2-CE 3.31Å; D206-K210 IonicContact OD2-NZ 2.65Å; D206-K210 PolarHBondContact OD2-NZ 2.78Å |
| 207 | E | 87.9 | Confident | 73.8 | Confident | 91 Ų | 91 | 73.2 Ų | 73.2 | 43% | 0.425 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 172.9 | -71.8 | -175.7 | 170.7 | 0 | 0 | 112.4 | V203 E204 Q205 R209 K210 Q211 L327 | V203-E207 HydrophobicContact CG1-CG 4.44Å; V203-E207 WeakPolarHBondContact O-CG 3.25Å; V203-E207 PolarHBondContact O-N 3.45Å; E204-E207 PolarHBondContact O-N 3.19Å; Q205-E207 VanDerWaalsContact C-N 3.34Å; E207-R209 VanDerWaalsContact C-N 3.31Å; E207-R209 PolarHBondContact O-N 2.99Å; E207-K210 PolarHBondContact O-N 2.97Å; E207-Q211 WeakPolarHBondContact O-CB 3.27Å; E207-Q211 PolarHBondContact O-N 2.98Å; E207-L327 HydrophobicContact CB-CD1 3.6Å |
| 208 | L | 86.2 | Confident | 76.5 | Confident | 12 Ų | 12 | 71.4 Ų | 71.4 | 6% | 0.063 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 173.7 | -76 | 168.1 | 0 | 0 | 0 | 111.8 | W76 E204 Q205 Q211 N212 L327 P329 | W76-L208 HydrophobicContact CH2-CB 4.01Å; W76-L208 HydrophobicContact CZ3-CB 3.76Å; E204-L208 WeakPolarHBondContact O-CG 3.39Å; E204-L208 PolarHBondContact O-N 3.33Å; Q205-L208 PolarHBondContact O-N 3.3Å; L208-Q211 PolarHBondContact O-N 2.79Å; L208-N212 WeakPolarHBondContact O-CB 3.48Å; L208-N212 PolarHBondContact O-N 3.38Å; L208-L327 HydrophobicContact CD2-CB 3.66Å; L208-L327 HydrophobicContact CG-CB 4.44Å; L208-P329 HydrophobicContact CD1-CB 4.32Å; L208-P329 HydrophobicContact CD1-CG 4.23Å; L208-P329 HydrophobicContact CD2-CG 4.44Å |
| 209 | R | 89.4 | Confident | 79.4 | Confident | 101 Ų | 101 | 64.6 Ų | 64.6 | 38% | 0.381 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 174.8 | -177.6 | 179.8 | -173.5 | -163.1 | 3.4 | 111.6 | W76 Q205 D206 E207 Q211 N212 K213 | W76-R209 HydrophobicContact CD2-CB 3.87Å; W76-R209 HydrophobicContact CD2-CG 3.98Å; W76-R209 HydrophobicContact CE3-CB 4.29Å; W76-R209 HydrophobicContact CG-CB 4.32Å; W76-R209 HydrophobicContact CG-CG 3.89Å; W76-R209 HydrophobicContact CH2-CB 4.32Å; W76-R209 HydrophobicContact CZ2-CB 3.93Å; Q205-R209 WeakPolarHBondContact O-CB 3.19Å; Q205-R209 PolarHBondContact O-N 2.96Å; D206-R209 WeakPolarHBondContact O-CB 3.43Å; D206-R209 PolarHBondContact O-N 3.48Å; E207-R209 VanDerWaalsContact C-N 3.31Å; E207-R209 PolarHBondContact O-N 2.99Å; R209-Q211 VanDerWaalsContact C-N 3.29Å; R209-Q211 PolarHBondContact O-N 2.9Å; R209-N212 PolarHBondContact O-N 3.43Å; R209-K213 WeakPolarHBondContact O-CG 3.47Å; R209-K213 PolarHBondContact O-N 3.31Å |
| 210 | K | 92.1 | Very high | 82.2 | Confident | 128 Ų | 128 | 62.7 Ų | 62.7 | 56% | 0.557 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -58.1 | -42.9 | 176.2 | -76.7 | 165.3 | 174.5 | 160.2 | 0 | 111.2 | D206 E207 K213 L214 | D206-K210 WeakPolarHBondContact O-CB 3.41Å; D206-K210 VanDerWaalsContact O-CG 3.31Å; D206-K210 WeakPolarHBondContact O-CG 3.34Å; D206-K210 PolarHBondContact O-N 3.32Å; D206-K210 WeakPolarHBondContact OD2-CE 3.31Å; D206-K210 IonicContact OD2-NZ 2.65Å; D206-K210 PolarHBondContact OD2-NZ 2.78Å; E207-K210 PolarHBondContact O-N 2.97Å; K210-K213 PolarHBondContact O-N 2.58Å; K210-L214 WeakPolarHBondContact O-CB 3.45Å; K210-L214 PolarHBondContact O-N 3.05Å |
| 211 | Q | 92.7 | Very high | 84.9 | Confident | 20 Ų | 20 | 62.8 Ų | 62.8 | 9% | 0.093 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 177.2 | -173.4 | -177 | -105.1 | 0 | 0 | 112.6 | E207 L208 R209 L214 L215 F259 R326 L327 | E207-Q211 WeakPolarHBondContact O-CB 3.27Å; E207-Q211 PolarHBondContact O-N 2.98Å; L208-Q211 PolarHBondContact O-N 2.79Å; R209-Q211 VanDerWaalsContact C-N 3.29Å; R209-Q211 PolarHBondContact O-N 2.9Å; Q211-L214 PolarHBondContact O-N 3.19Å; Q211-L215 PolarHBondContact O-N 2.97Å; Q211-F259 HydrophobicContact CG-CE1 4.28Å; Q211-F259 HydrophobicContact CG-CZ 3.67Å; Q211-R326 VanDerWaalsContact NE2-CZ 3.33Å; Q211-L327 PolarHBondContact NE2-O 3.45Å |
| 212 | N | 92.4 | Very high | 87.1 | Confident | 11 Ų | 11 | 61 Ų | 61 | 6% | 0.059 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 178.5 | -176.3 | -81.7 | 0 | 0 | 0 | 110.7 | I74 W76 Q79 L208 R209 L214 L215 W216 | I74-N212 PolarHBondContact O-ND2 3Å; I74-N212 VanDerWaalsContact O-ND2 3.14Å; W76-N212 HydrophobicContact CB-CB 4.25Å; W76-N212 WeakPolarHBondContact CB-OD1 3.35Å; W76-N212 HydrophobicContact CE3-CB 4.26Å; W76-N212 PolarHBondContact N-OD1 2.6Å; Q79-N212 PolarHBondContact NE2-ND2 3.06Å; L208-N212 WeakPolarHBondContact O-CB 3.48Å; L208-N212 PolarHBondContact O-N 3.38Å; R209-N212 PolarHBondContact O-N 3.43Å; N212-L214 VanDerWaalsContact C-N 3.33Å; N212-L214 PolarHBondContact O-N 3.3Å; N212-L215 WeakPolarHBondContact O-CB 3.26Å; N212-L215 PolarHBondContact O-N 3.28Å; N212-W216 VanDerWaalsContact O-CD1 3.31Å; N212-W216 PolarHBondContact O-N 2.78Å; N212-W216 VanDerWaalsContact OD1-CD1 3.25Å |
| 213 | K | 92.9 | Very high | 88.7 | Confident | 96 Ų | 96 | 60.3 Ų | 60.3 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 174.5 | -73.7 | -175.9 | 175.4 | -172.8 | 0 | 112.6 | E77 R209 K210 W216 S217 | E77-K213 WeakPolarHBondContact OE1-CE 3.26Å; R209-K213 WeakPolarHBondContact O-CG 3.47Å; R209-K213 PolarHBondContact O-N 3.31Å; K210-K213 PolarHBondContact O-N 2.58Å; K213-W216 PolarHBondContact O-N 3.46Å; K213-S217 VanDerWaalsContact O-CB 3.27Å; K213-S217 WeakPolarHBondContact O-CB 3.46Å; K213-S217 PolarHBondContact O-N 3.42Å; K213-S217 PolarHBondContact O-OG 2.87Å |
| 214 | L | 93.8 | Very high | 90.1 | Very high | 66 Ų | 66 | 61.2 Ų | 61.2 | 35% | 0.346 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62 | -48.6 | 177.2 | 179.8 | 61.3 | 0 | 0 | 0 | 111.6 | K210 Q211 N212 S217 L218 I258 | K210-L214 WeakPolarHBondContact O-CB 3.45Å; K210-L214 PolarHBondContact O-N 3.05Å; Q211-L214 PolarHBondContact O-N 3.19Å; N212-L214 VanDerWaalsContact C-N 3.33Å; N212-L214 PolarHBondContact O-N 3.3Å; L214-S217 PolarHBondContact O-N 3.17Å; L214-S217 PolarHBondContact O-OG 3.11Å; L214-L218 PolarHBondContact O-N 3.01Å; L214-L218 VanDerWaalsContact O-N 3.14Å; L214-I258 HydrophobicContact CD2-CD1 4.46Å; L214-I258 HydrophobicContact CD2-CG2 3.84Å; L214-I258 HydrophobicContact CG-CD1 3.9Å; L214-I258 HydrophobicContact CG-CG1 4.39Å; L214-I258 HydrophobicContact CG-CG2 4.45Å |
| 215 | L | 92.8 | Very high | 91.2 | Very high | 25 Ų | 25 | 61.8 Ų | 61.8 | 13% | 0.131 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.2 | -54.7 | 174.8 | -88.4 | -177 | 0 | 0 | 0 | 111.8 | Q211 N212 S217 L218 R219 A254 I258 F259 R326 | Q211-L215 PolarHBondContact O-N 2.97Å; N212-L215 WeakPolarHBondContact O-CB 3.26Å; N212-L215 PolarHBondContact O-N 3.28Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 2.97Å; L215-L218 PolarHBondContact O-N 3.48Å; L215-R219 VanDerWaalsContact O-CB 3.31Å; L215-R219 WeakPolarHBondContact O-CB 3.3Å; L215-R219 PolarHBondContact O-N 2.91Å; L215-A254 HydrophobicContact CD2-CB 4.19Å; L215-I258 HydrophobicContact CD2-CD1 3.82Å; L215-I258 HydrophobicContact CG-CD1 4.38Å; L215-F259 HydrophobicContact CD2-CE2 4Å; L215-F259 HydrophobicContact CG-CE2 4.4Å; L215-R326 VanDerWaalsContact CD1-CZ 3.41Å; L215-R326 VanDerWaalsContact CG-NH1 3.32Å |
| 216 | W | 93.1 | Very high | 92.1 | Very high | 21 Ų | 21 | 57.2 Ų | 57.2 | 8% | 0.08 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -37 | -176.4 | -82.5 | 99.7 | 0 | 0 | 0 | 112.1 | Y11 S73 I74 R75 N212 K213 L218 R219 D220 | Y11-W216 HydrophobicContact CD2-CH2 4.01Å; Y11-W216 AromaticContact CE2-CH2 3.55Å; Y11-W216 HydrophobicContact CE2-CH2 3.55Å; Y11-W216 AromaticContact CE2-CZ2 3.81Å; Y11-W216 HydrophobicContact CE2-CZ2 3.81Å; S73-W216 VanDerWaalsContact O-CZ2 3.29Å; S73-W216 WeakPolarHBondContact O-CZ2 3.32Å; I74-W216 PolarHBondContact O-NE1 2.94Å; R75-W216 HydrophobicContact CG-CD2 3.55Å; R75-W216 HydrophobicContact CG-CE3 3.94Å; R75-W216 HydrophobicContact CG-CG 3.94Å; R75-W216 HydrophobicContact CG-CH2 4.27Å; R75-W216 HydrophobicContact CG-CZ2 3.89Å; R75-W216 HydrophobicContact CG-CZ3 4.28Å; R75-W216 VanDerWaalsContact NH1-CZ3 3.29Å; R75-W216 VanDerWaalsContact NH2-CE3 3.32Å; R75-W216 VanDerWaalsContact NH2-CZ3 3.33Å; N212-W216 VanDerWaalsContact O-CD1 3.31Å; N212-W216 PolarHBondContact O-N 2.78Å; N212-W216 VanDerWaalsContact OD1-CD1 3.25Å; K213-W216 PolarHBondContact O-N 3.46Å; W216-L218 VanDerWaalsContact C-N 3.3Å; W216-L218 PolarHBondContact O-N 3.26Å; W216-R219 VanDerWaalsContact CZ3-CD 3.49Å; W216-R219 PolarHBondContact O-N 3.49Å; W216-D220 WeakPolarHBondContact O-CB 3.44Å; W216-D220 PolarHBondContact O-N 3.2Å |
| 217 | S | 93.8 | Very high | 92.6 | Very high | 56 Ų | 56 | 57.1 Ų | 57.1 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62 | -36.2 | 174.8 | 75.2 | 0 | 0 | 0 | 0 | 113.1 | K213 L214 L215 K221 | K213-S217 VanDerWaalsContact O-CB 3.27Å; K213-S217 WeakPolarHBondContact O-CB 3.46Å; K213-S217 PolarHBondContact O-N 3.42Å; K213-S217 PolarHBondContact O-OG 2.87Å; L214-S217 PolarHBondContact O-N 3.17Å; L214-S217 PolarHBondContact O-OG 3.11Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 2.97Å; S217-K221 WeakPolarHBondContact O-CG 3.41Å; S217-K221 PolarHBondContact O-N 3.37Å |
| 218 | L | 94 | Very high | 92.8 | Very high | 22 Ų | 22 | 57.6 Ų | 57.6 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -77 | -41.7 | 175.5 | -179.3 | 60.7 | 0 | 0 | 0 | 111.1 | L214 L215 W216 D220 K221 L222 A254 M257 I258 F315 | L214-L218 PolarHBondContact O-N 3.01Å; L214-L218 VanDerWaalsContact O-N 3.14Å; L215-L218 PolarHBondContact O-N 3.48Å; W216-L218 VanDerWaalsContact C-N 3.3Å; W216-L218 PolarHBondContact O-N 3.26Å; L218-D220 PolarHBondContact O-N 3.14Å; L218-K221 WeakPolarHBondContact O-CB 3.42Å; L218-K221 PolarHBondContact O-N 3.22Å; L218-L222 HydrophobicContact CD1-CD1 4.44Å; L218-L222 HydrophobicContact CD1-CG 4.35Å; L218-L222 HydrophobicContact CG-CD1 3.95Å; L218-L222 HydrophobicContact CG-CG 4.35Å; L218-L222 WeakPolarHBondContact O-CG 2.95Å; L218-L222 PolarHBondContact O-N 3.28Å; L218-A254 HydrophobicContact CD2-CB 4.31Å; L218-A254 HydrophobicContact CG-CB 4.42Å; L218-M257 HydrophobicContact CD1-CE 4.36Å; L218-M257 HydrophobicContact CD2-CB 3.74Å; L218-M257 HydrophobicContact CD2-SD 4.29Å; L218-I258 HydrophobicContact CB-CD1 4Å; L218-I258 HydrophobicContact CD2-CD1 3.66Å; L218-I258 HydrophobicContact CD2-CG1 3.6Å; L218-I258 HydrophobicContact CG-CD1 4.48Å; L218-F315 HydrophobicContact CD1-CD2 4.46Å; L218-F315 HydrophobicContact CD1-CE2 3.84Å |
| 219 | R | 94.2 | Very high | 93.2 | Very high | 18 Ų | 18 | 63.2 Ų | 63.2 | 7% | 0.068 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.5 | -47.9 | 177 | -168.3 | -164.5 | 168.2 | -73.9 | -2.9 | 111.5 | L215 W216 K221 L222 E223 S247 L250 D251 A254 | L215-R219 VanDerWaalsContact O-CB 3.31Å; L215-R219 WeakPolarHBondContact O-CB 3.3Å; L215-R219 PolarHBondContact O-N 2.91Å; W216-R219 VanDerWaalsContact CZ3-CD 3.49Å; W216-R219 PolarHBondContact O-N 3.49Å; R219-K221 VanDerWaalsContact C-N 3.32Å; R219-K221 PolarHBondContact O-N 2.92Å; R219-L222 PolarHBondContact O-N 2.99Å; R219-E223 IonicContact CZ-OE2 2.67Å; R219-E223 IonicContact NH1-OE2 2.89Å; R219-E223 PolarHBondContact NH1-OE2 3.36Å; R219-E223 IonicContact NH2-OE2 2.69Å; R219-E223 WeakPolarHBondContact O-CB 3.12Å; R219-E223 PolarHBondContact O-N 3.4Å; R219-S247 PolarHBondContact NH2-OG 3.21Å; R219-L250 HydrophobicContact CG-CB 3.75Å; R219-D251 VanDerWaalsContact CD-OD1 3.22Å; R219-D251 WeakPolarHBondContact CD-OD1 3.48Å; R219-D251 IonicContact NE-OD1 3.1Å; R219-D251 PolarHBondContact NE-OD1 2.93Å; R219-A254 HydrophobicContact CB-CB 4.39Å |
| 220 | D | 93.4 | Very high | 93.5 | Very high | 62 Ų | 62 | 58.8 Ų | 58.8 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.1 | -31.8 | -179.8 | -65.2 | -13.2 | 0 | 0 | 0 | 111.4 | R75 W216 L218 S224 | R75-D220 IonicContact NH2-OD1 3.63Å; R75-D220 PolarHBondContact NH2-OD1 3.42Å; R75-D220 VanDerWaalsContact NH2-OD1 3.11Å; R75-D220 IonicContact NH2-OD2 2.89Å; R75-D220 PolarHBondContact NH2-OD2 3.07Å; W216-D220 WeakPolarHBondContact O-CB 3.44Å; W216-D220 PolarHBondContact O-N 3.2Å; L218-D220 PolarHBondContact O-N 3.14Å; D220-S224 WeakPolarHBondContact O-CB 3.44Å; D220-S224 PolarHBondContact O-N 2.61Å; D220-S224 PolarHBondContact O-OG 2.95Å |
| 221 | K | 93.8 | Very high | 93.7 | Very high | 110 Ų | 110 | 52.7 Ų | 52.7 | 48% | 0.478 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.3 | -43.8 | 170.9 | -76.4 | 178.2 | -178.6 | -176.3 | 0 | 112.8 | S217 L218 R219 E223 S224 Q225 | S217-K221 WeakPolarHBondContact O-CG 3.41Å; S217-K221 PolarHBondContact O-N 3.37Å; L218-K221 WeakPolarHBondContact O-CB 3.42Å; L218-K221 PolarHBondContact O-N 3.22Å; R219-K221 VanDerWaalsContact C-N 3.32Å; R219-K221 PolarHBondContact O-N 2.92Å; K221-E223 VanDerWaalsContact C-N 3.32Å; K221-S224 WeakPolarHBondContact CA-OG 3.34Å; K221-S224 PolarHBondContact O-N 3.1Å; K221-S224 PolarHBondContact O-OG 3.45Å; K221-S224 VanDerWaalsContact O-OG 3.07Å; K221-Q225 WeakPolarHBondContact O-CB 3.47Å; K221-Q225 PolarHBondContact O-N 3.27Å |
| 222 | L | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 175 | -73.4 | 164.6 | 0 | 0 | 0 | 110.5 | L218 R219 S224 Q225 V226 L231 L250 V253 A254 M257 F315 L316 | L218-L222 HydrophobicContact CD1-CD1 4.44Å; L218-L222 HydrophobicContact CD1-CG 4.35Å; L218-L222 HydrophobicContact CG-CD1 3.95Å; L218-L222 HydrophobicContact CG-CG 4.35Å; L218-L222 WeakPolarHBondContact O-CG 2.95Å; L218-L222 PolarHBondContact O-N 3.28Å; R219-L222 PolarHBondContact O-N 2.99Å; L222-S224 VanDerWaalsContact C-N 3.28Å; L222-S224 PolarHBondContact O-N 2.88Å; L222-Q225 PolarHBondContact O-N 3.42Å; L222-V226 HydrophobicContact CD2-CB 4.39Å; L222-V226 HydrophobicContact CD2-CG2 3.92Å; L222-V226 WeakPolarHBondContact O-CB 3.36Å; L222-V226 PolarHBondContact O-N 3.42Å; L222-L231 HydrophobicContact CB-CD2 4.27Å; L222-L231 HydrophobicContact CD2-CD2 4.01Å; L222-L250 HydrophobicContact CB-CD2 3.64Å; L222-V253 HydrophobicContact CD1-CB 4.16Å; L222-V253 HydrophobicContact CD1-CG1 3.75Å; L222-V253 HydrophobicContact CD2-CG1 3.97Å; L222-A254 HydrophobicContact CD1-CB 4.12Å; L222-M257 HydrophobicContact CD1-SD 4.32Å; L222-M257 HydrophobicContact CD2-SD 4.03Å; L222-F315 HydrophobicContact CD2-CE2 4.29Å; L222-F315 HydrophobicContact CD2-CZ 3.84Å; L222-F315 HydrophobicContact CG-CZ 4.28Å; L222-L316 HydrophobicContact CD2-CD2 4.49Å |
| 223 | E | 93.7 | Very high | 94 | Very high | 90 Ų | 90 | 53.9 Ų | 53.9 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.1 | -32.3 | 179.4 | -171.7 | 161.7 | -157 | 0 | 0 | 112.9 | R219 K221 L250 | R219-E223 IonicContact CZ-OE2 2.67Å; R219-E223 IonicContact NH1-OE2 2.89Å; R219-E223 PolarHBondContact NH1-OE2 3.36Å; R219-E223 IonicContact NH2-OE2 2.69Å; R219-E223 WeakPolarHBondContact O-CB 3.12Å; R219-E223 PolarHBondContact O-N 3.4Å; K221-E223 VanDerWaalsContact C-N 3.32Å; E223-L250 HydrophobicContact CB-CD1 3.73Å; E223-L250 HydrophobicContact CB-CD2 3.91Å; E223-L250 HydrophobicContact CB-CG 4.5Å; E223-L250 HydrophobicContact CG-CD1 3.8Å |
| 224 | S | 92.6 | Very high | 94.2 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 62% | 0.622 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -88.2 | -22.7 | -179.3 | 50.6 | 0 | 0 | 0 | 0 | 114.9 | D220 K221 L222 | D220-S224 WeakPolarHBondContact O-CB 3.44Å; D220-S224 PolarHBondContact O-N 2.61Å; D220-S224 PolarHBondContact O-OG 2.95Å; K221-S224 WeakPolarHBondContact CA-OG 3.34Å; K221-S224 PolarHBondContact O-N 3.1Å; K221-S224 PolarHBondContact O-OG 3.45Å; K221-S224 VanDerWaalsContact O-OG 3.07Å; L222-S224 VanDerWaalsContact C-N 3.28Å; L222-S224 PolarHBondContact O-N 2.88Å |
| 225 | Q | 93.4 | Very high | 94.2 | Very high | 105 Ų | 105 | 46.3 Ų | 46.3 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -126.4 | -11.1 | -169.1 | -60.5 | -176.9 | 24.9 | 0 | 0 | 115 | K221 L222 V313 F315 | K221-Q225 WeakPolarHBondContact O-CB 3.47Å; K221-Q225 PolarHBondContact O-N 3.27Å; L222-Q225 PolarHBondContact O-N 3.42Å; Q225-V313 HydrophobicContact CB-CG1 4.26Å; Q225-F315 HydrophobicContact CB-CE1 4.02Å; Q225-F315 VanDerWaalsContact OE1-CD1 3.25Å |
| 226 | V | 93.3 | Very high | 94.3 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -123.1 | 126.8 | -174.3 | -174 | 0 | 0 | 0 | 0 | 110.2 | L222 A230 L231 L234 V313 F315 L316 | L222-V226 HydrophobicContact CD2-CB 4.39Å; L222-V226 HydrophobicContact CD2-CG2 3.92Å; L222-V226 WeakPolarHBondContact O-CB 3.36Å; L222-V226 PolarHBondContact O-N 3.42Å; V226-A230 HydrophobicContact CG1-CB 3.63Å; V226-L231 HydrophobicContact CB-CD2 4.2Å; V226-L231 HydrophobicContact CG1-CD2 3.84Å; V226-L231 HydrophobicContact CG1-CG 4.01Å; V226-L234 HydrophobicContact CG1-CD1 4.34Å; V226-V313 HydrophobicContact CG2-CG1 4.39Å; V226-F315 HydrophobicContact CG2-CE1 4.05Å; V226-F315 HydrophobicContact CG2-CZ 3.99Å; V226-L316 HydrophobicContact CG2-CD1 3.92Å; V226-L316 HydrophobicContact CG2-CG 4.46Å |
| 227 | S | 93.2 | Very high | 94.4 | Very high | 63 Ų | 63 | 56.1 Ų | 56.1 | 44% | 0.441 | 29% | 0.285 | S | S | . | . | trans | -66.3 | 157.6 | 178.8 | 69.3 | 0 | 0 | 0 | 0 | 111.8 | E229 A230 L231 | S227-E229 PolarHBondContact O-N 3.2Å; S227-A230 PolarHBondContact O-N 3.04Å; S227-A230 WeakPolarHBondContact OG-CB 3.47Å; S227-A230 PolarHBondContact OG-N 2.85Å; S227-L231 WeakPolarHBondContact O-CG 3.26Å; S227-L231 PolarHBondContact O-N 3.02Å | ||
| 228 | K | 93.9 | Very high | 94.4 | Very high | 102 Ų | 102 | 53.8 Ų | 53.8 | 44% | 0.443 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.6 | -37.9 | 178.5 | -176.2 | -174 | 169.6 | -160.7 | 0 | 111.7 | L231 I232 L246 L249 | K228-L231 PolarHBondContact O-N 3.32Å; K228-I232 WeakPolarHBondContact O-CG1 3.39Å; K228-I232 PolarHBondContact O-N 2.96Å; K228-I232 VanDerWaalsContact O-N 3.12Å; K228-L246 HydrophobicContact CB-CD1 4.32Å; K228-L246 HydrophobicContact CG-CD1 4.29Å; K228-L249 HydrophobicContact CG-CD1 3.9Å |
| 229 | E | 94.2 | Very high | 94.3 | Very high | 129 Ų | 129 | 57.3 Ų | 57.3 | 60% | 0.603 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64 | -44 | 177.5 | -64.8 | 65.1 | -140.8 | 0 | 0 | 110.4 | S227 L231 I232 G233 | S227-E229 PolarHBondContact O-N 3.2Å; E229-L231 PolarHBondContact O-N 2.97Å; E229-I232 PolarHBondContact O-N 3.38Å; E229-G233 PolarHBondContact O-N 3.45Å |
| 230 | A | 94.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 57.3 Ų | 57.3 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.9 | -36.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V226 S227 I232 G233 L234 Y310 | V226-A230 HydrophobicContact CG1-CB 3.63Å; S227-A230 PolarHBondContact O-N 3.04Å; S227-A230 WeakPolarHBondContact OG-CB 3.47Å; S227-A230 PolarHBondContact OG-N 2.85Å; A230-I232 VanDerWaalsContact C-N 3.31Å; A230-I232 PolarHBondContact O-N 3.48Å; A230-G233 PolarHBondContact O-N 2.63Å; A230-L234 WeakPolarHBondContact O-CB 3.26Å; A230-L234 VanDerWaalsContact O-CG 3.23Å; A230-L234 WeakPolarHBondContact O-CG 3.37Å; A230-L234 PolarHBondContact O-N 3.21Å; A230-Y310 HydrophobicContact CB-CD1 3.69Å; A230-Y310 HydrophobicContact CB-CE1 3.55Å |
| 231 | L | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 173.3 | -66.3 | 172.3 | 0 | 0 | 0 | 112.2 | L222 V226 S227 K228 E229 L235 L246 L249 L250 V253 | L222-L231 HydrophobicContact CB-CD2 4.27Å; L222-L231 HydrophobicContact CD2-CD2 4.01Å; V226-L231 HydrophobicContact CB-CD2 4.2Å; V226-L231 HydrophobicContact CG1-CD2 3.84Å; V226-L231 HydrophobicContact CG1-CG 4.01Å; S227-L231 WeakPolarHBondContact O-CG 3.26Å; S227-L231 PolarHBondContact O-N 3.02Å; K228-L231 PolarHBondContact O-N 3.32Å; E229-L231 PolarHBondContact O-N 2.97Å; L231-L235 PolarHBondContact O-N 3Å; L231-L246 HydrophobicContact CD1-CD1 3.81Å; L231-L249 HydrophobicContact CB-CB 4.39Å; L231-L249 HydrophobicContact CD1-CB 4.4Å; L231-L250 HydrophobicContact CD1-CD2 3.58Å; L231-L250 HydrophobicContact CD1-CG 4.04Å; L231-L250 HydrophobicContact CD2-CD2 4.28Å; L231-V253 HydrophobicContact CB-CG2 4.27Å; L231-V253 HydrophobicContact CD2-CB 4.19Å; L231-V253 HydrophobicContact CD2-CG1 4.14Å; L231-V253 HydrophobicContact CD2-CG2 3.97Å |
| 232 | I | 96.2 | Very high | 93.8 | Very high | 46 Ų | 46 | 54.7 Ų | 54.7 | 24% | 0.236 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65 | -51.6 | 175.3 | -68.8 | 166.8 | 0 | 0 | 0 | 109.7 | K228 E229 A230 L234 L235 E236 V242 L249 | K228-I232 WeakPolarHBondContact O-CG1 3.39Å; K228-I232 PolarHBondContact O-N 2.96Å; K228-I232 VanDerWaalsContact O-N 3.12Å; E229-I232 PolarHBondContact O-N 3.38Å; A230-I232 VanDerWaalsContact C-N 3.31Å; A230-I232 PolarHBondContact O-N 3.48Å; I232-L234 VanDerWaalsContact C-N 3.29Å; I232-L234 PolarHBondContact O-N 3.17Å; I232-L235 PolarHBondContact O-N 3.45Å; I232-E236 HydrophobicContact CG2-CG 4.18Å; I232-E236 WeakPolarHBondContact CG2-OE1 3.42Å; I232-E236 WeakPolarHBondContact O-CG 3.47Å; I232-E236 PolarHBondContact O-N 3.44Å; I232-V242 HydrophobicContact CB-CG1 4.45Å; I232-V242 HydrophobicContact CG1-CG1 4.05Å; I232-V242 HydrophobicContact CG2-CG1 4.02Å; I232-L249 HydrophobicContact CD1-CD1 4.33Å; I232-L249 HydrophobicContact CG1-CD1 3.94Å; I232-L249 HydrophobicContact CG1-CD2 3.88Å |
| 233 | G | 95.7 | Very high | 93.6 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.1 | -35.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | E229 A230 L235 E236 Y237 | E229-G233 PolarHBondContact O-N 3.45Å; A230-G233 PolarHBondContact O-N 2.63Å; G233-L235 PolarHBondContact O-N 3.26Å; G233-E236 PolarHBondContact O-N 3.3Å; G233-Y237 VanDerWaalsContact O-CB 3.29Å; G233-Y237 WeakPolarHBondContact O-CB 3.37Å; G233-Y237 PolarHBondContact O-N 3.43Å |
| 234 | L | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 173.3 | -79.7 | 170.6 | 0 | 0 | 0 | 112.8 | V226 A230 I232 N238 V253 F304 I306 Y310 L316 | V226-L234 HydrophobicContact CG1-CD1 4.34Å; A230-L234 WeakPolarHBondContact O-CB 3.26Å; A230-L234 VanDerWaalsContact O-CG 3.23Å; A230-L234 WeakPolarHBondContact O-CG 3.37Å; A230-L234 PolarHBondContact O-N 3.21Å; I232-L234 VanDerWaalsContact C-N 3.29Å; I232-L234 PolarHBondContact O-N 3.17Å; L234-N238 PolarHBondContact O-ND2 3.08Å; L234-V253 HydrophobicContact CD1-CG1 4.21Å; L234-F304 HydrophobicContact CB-CZ 4.22Å; L234-F304 HydrophobicContact CD2-CE1 4.31Å; L234-F304 HydrophobicContact CD2-CZ 4.47Å; L234-I306 HydrophobicContact CD2-CD1 3.97Å; L234-Y310 HydrophobicContact CD2-CD2 3.77Å; L234-Y310 HydrophobicContact CD2-CE2 4.46Å; L234-Y310 HydrophobicContact CD2-CG 4.46Å; L234-Y310 HydrophobicContact CG-CD2 3.9Å; L234-Y310 HydrophobicContact CG-CE2 4.28Å; L234-L316 HydrophobicContact CD1-CD1 4.28Å |
| 235 | L | 95.3 | Very high | 93 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.1 | -45.6 | 177.5 | -69 | 175.4 | 0 | 0 | 0 | 111.6 | L231 I232 G233 Y237 N238 E239 Q240 V242 L249 A252 V253 | L231-L235 PolarHBondContact O-N 3Å; I232-L235 PolarHBondContact O-N 3.45Å; G233-L235 PolarHBondContact O-N 3.26Å; L235-Y237 PolarHBondContact O-N 3.3Å; L235-N238 CarbonylContact O-C 3.47Å; L235-N238 PolarHBondContact O-N 3.28Å; L235-N238 VanDerWaalsContact O-N 3.12Å; L235-E239 PolarHBondContact O-N 3.07Å; L235-E239 VanDerWaalsContact O-N 3.17Å; L235-Q240 HydrophobicContact CB-CB 4.13Å; L235-Q240 HydrophobicContact CD2-CB 3.84Å; L235-Q240 HydrophobicContact CD2-CG 4.29Å; L235-Q240 PolarHBondContact O-N 2.94Å; L235-V242 HydrophobicContact CB-CG2 4.06Å; L235-L249 HydrophobicContact CD1-CD2 3.81Å; L235-A252 HydrophobicContact CD1-CB 4.06Å; L235-A252 HydrophobicContact CD2-CB 4.2Å; L235-V253 HydrophobicContact CD1-CG2 4.01Å; L235-V253 HydrophobicContact CD2-CG2 3.75Å; L235-V253 HydrophobicContact CG-CG2 3.61Å |
| 236 | E | 94.5 | Very high | 92.8 | Very high | 121 Ų | 121 | 51.8 Ų | 51.8 | 57% | 0.565 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60 | -45.7 | 179.6 | -70.7 | 178.2 | 161.6 | 0 | 0 | 111.6 | I232 G233 N238 E239 V242 | I232-E236 HydrophobicContact CG2-CG 4.18Å; I232-E236 WeakPolarHBondContact CG2-OE1 3.42Å; I232-E236 WeakPolarHBondContact O-CG 3.47Å; I232-E236 PolarHBondContact O-N 3.44Å; G233-E236 PolarHBondContact O-N 3.3Å; E236-N238 PolarHBondContact O-N 3.36Å; E236-E239 WeakPolarHBondContact O-CA 3.47Å; E236-E239 PolarHBondContact O-N 3.19Å; E236-V242 HydrophobicContact CG-CG2 3.68Å |
| 237 | Y | 95.2 | Very high | 92.6 | Very high | 131 Ų | 131 | 52.9 Ų | 52.9 | 51% | 0.514 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.3 | -29 | 176.7 | -176.1 | -97.4 | 0 | 0 | 0 | 113.3 | G233 L235 E239 K305 P307 | G233-Y237 VanDerWaalsContact O-CB 3.29Å; G233-Y237 WeakPolarHBondContact O-CB 3.37Å; G233-Y237 PolarHBondContact O-N 3.43Å; L235-Y237 PolarHBondContact O-N 3.3Å; Y237-E239 VanDerWaalsContact C-N 3.35Å; Y237-K305 HydrophobicContact CD1-CB 4.31Å; Y237-K305 HydrophobicContact CE1-CB 3.72Å; Y237-K305 HydrophobicContact CE1-CD 4.43Å; Y237-P307 HydrophobicContact CD1-CG 3.62Å; Y237-P307 HydrophobicContact CD2-CB 4.41Å; Y237-P307 HydrophobicContact CD2-CG 3.79Å; Y237-P307 HydrophobicContact CE1-CG 4.11Å; Y237-P307 HydrophobicContact CE2-CG 4.28Å; Y237-P307 HydrophobicContact CG-CB 4.47Å; Y237-P307 HydrophobicContact CG-CG 3.43Å; Y237-P307 VanDerWaalsContact CG-CG 3.43Å |
| 238 | N | 94.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 11.6 | 177.3 | -72.6 | -87.1 | 0 | 0 | 0 | 112.7 | L234 L235 E236 Q240 A261 R302 F304 K305 | L234-N238 PolarHBondContact O-ND2 3.08Å; L235-N238 CarbonylContact O-C 3.47Å; L235-N238 PolarHBondContact O-N 3.28Å; L235-N238 VanDerWaalsContact O-N 3.12Å; E236-N238 PolarHBondContact O-N 3.36Å; N238-Q240 HydrophobicContact CB-CG 3.88Å; N238-Q240 PolarHBondContact O-N 3.39Å; N238-Q240 PolarHBondContact O-NE2 3.29Å; N238-A261 HydrophobicContact CB-CB 4.17Å; N238-R302 PolarHBondContact O-NH2 3.4Å; N238-F304 HydrophobicContact CB-CD2 3.95Å; N238-F304 HydrophobicContact CB-CE2 3.79Å; N238-F304 VanDerWaalsContact CG-CD2 3.49Å; N238-F304 VanDerWaalsContact CG-CE2 3.5Å; N238-F304 VanDerWaalsContact ND2-CE2 3.34Å; N238-F304 WeakPolarHBondContact ND2-CE2 3.09Å; N238-F304 WeakPolarHBondContact ND2-CZ 3.34Å; N238-K305 PolarHBondContact ND2-O 2.92Å; N238-K305 PolarHBondContact OD1-N 3.15Å |
| 239 | E | 91.7 | Very high | 92.4 | Very high | 97 Ų | 97 | 51.3 Ų | 51.3 | 45% | 0.453 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 40.1 | -176.5 | -37.6 | 162.2 | 167.8 | 0 | 0 | 112.3 | L235 E236 Y237 R302 | L235-E239 PolarHBondContact O-N 3.07Å; L235-E239 VanDerWaalsContact O-N 3.17Å; E236-E239 WeakPolarHBondContact O-CA 3.47Å; E236-E239 PolarHBondContact O-N 3.19Å; Y237-E239 VanDerWaalsContact C-N 3.35Å; E239-R302 VanDerWaalsContact CB-NH2 3.32Å; E239-R302 IonicContact OE2-CZ 3.21Å; E239-R302 IonicContact OE2-NH1 2.91Å; E239-R302 PolarHBondContact OE2-NH1 2.86Å; E239-R302 IonicContact OE2-NH2 3.31Å; E239-R302 PolarHBondContact OE2-NH2 2.77Å |
| 240 | Q | 91.3 | Very high | 92.4 | Very high | 17 Ų | 17 | 45.1 Ų | 45.1 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | trans | -92.2 | 159.9 | 179.6 | -59.6 | -58.4 | -81.9 | 0 | 0 | 111.3 | L235 N238 V242 A261 L262 | L235-Q240 HydrophobicContact CB-CB 4.13Å; L235-Q240 HydrophobicContact CD2-CB 3.84Å; L235-Q240 HydrophobicContact CD2-CG 4.29Å; L235-Q240 PolarHBondContact O-N 2.94Å; N238-Q240 HydrophobicContact CB-CG 3.88Å; N238-Q240 PolarHBondContact O-N 3.39Å; N238-Q240 PolarHBondContact O-NE2 3.29Å; Q240-V242 PolarHBondContact O-N 3.13Å; Q240-A261 HydrophobicContact CG-CB 4.37Å; Q240-L262 PolarHBondContact NE2-O 3.17Å | ||
| 241 | H | 88.4 | Confident | 92.2 | Very high | 67 Ų | 67 | 47.3 Ų | 47.3 | 31% | 0.31 | 25% | 0.248 | S | C | . | . | trans | -62.7 | 128.4 | 169.5 | 177.7 | 61.7 | 0 | 0 | 0 | 110.2 | P243 P272 H274 | H241-P243 WeakPolarHBondContact O-CD 3.4Å; H241-P272 HydrophobicContact CB-CB 4.07Å; H241-P272 HydrophobicContact CB-CG 3.79Å; H241-H274 HydrophobicContact CB-CB 4.39Å | ||
| 242 | V | 91.6 | Very high | 92.1 | Very high | 50 Ų | 50 | 48.7 Ų | 48.7 | 30% | 0.303 | 26% | 0.26 | S | S | . | . | trans | -95.8 | 100.8 | 175.2 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | I232 L235 E236 Q240 L249 | I232-V242 HydrophobicContact CB-CG1 4.45Å; I232-V242 HydrophobicContact CG1-CG1 4.05Å; I232-V242 HydrophobicContact CG2-CG1 4.02Å; L235-V242 HydrophobicContact CB-CG2 4.06Å; E236-V242 HydrophobicContact CG-CG2 3.68Å; Q240-V242 PolarHBondContact O-N 3.13Å; V242-L249 HydrophobicContact CG1-CD2 3.84Å | ||
| 243 | P | 89.9 | Confident | 92.1 | Very high | 17 Ų | 17 | 46.5 Ų | 46.5 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | trans | -76 | 155.7 | 179.1 | 32 | -37.7 | 0 | 0 | 0 | 112.2 | H241 R248 L249 A252 | H241-P243 WeakPolarHBondContact O-CD 3.4Å; P243-R248 HydrophobicContact CB-CB 3.67Å; P243-R248 HydrophobicContact CG-CB 3.76Å; P243-R248 WeakPolarHBondContact CG-O 3.1Å; P243-L249 HydrophobicContact CG-CD2 4.19Å; P243-L249 HydrophobicContact CG-CG 4.45Å; P243-L249 WeakPolarHBondContact O-CD2 3.5Å; P243-L249 WeakPolarHBondContact O-CG 3.42Å; P243-A252 HydrophobicContact CG-CB 4.06Å | ||
| 244 | S | 86.3 | Confident | 92.1 | Very high | 94 Ų | 94 | 46.1 Ų | 46.1 | 66% | 0.657 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -81.3 | 136.1 | 173.4 | 60.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 245 | G | 86.5 | Confident | 92 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 93.3 | 141.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S247 R248 L249 | G245-S247 PolarHBondContact O-N 3.43Å; G245-R248 PolarHBondContact O-N 3.19Å; G245-L249 PolarHBondContact O-N 2.8Å |
| 246 | L | 90.4 | Very high | 92 | Very high | 73 Ų | 73 | 46.7 Ų | 46.7 | 38% | 0.382 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.3 | -46.8 | -171.3 | -178.2 | 61 | 0 | 0 | 0 | 113.3 | K228 L231 R248 L249 L250 | K228-L246 HydrophobicContact CB-CD1 4.32Å; K228-L246 HydrophobicContact CG-CD1 4.29Å; L231-L246 HydrophobicContact CD1-CD1 3.81Å; L246-R248 VanDerWaalsContact C-N 3.31Å; L246-R248 PolarHBondContact O-N 3.25Å; L246-L249 WeakPolarHBondContact O-CB 3.46Å; L246-L249 PolarHBondContact O-N 2.82Å; L246-L250 HydrophobicContact CD1-CD1 4.31Å; L246-L250 HydrophobicContact CD1-CG 4.25Å; L246-L250 HydrophobicContact CG-CD1 3.99Å; L246-L250 HydrophobicContact CG-CG 4.41Å; L246-L250 WeakPolarHBondContact O-CG 3.43Å; L246-L250 PolarHBondContact O-N 3.32Å |
| 247 | S | 88.3 | Confident | 92 | Very high | 36 Ų | 36 | 41 Ų | 41 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.4 | -44.1 | -179.3 | -169.9 | 0 | 0 | 0 | 0 | 112.6 | R219 G245 L250 D251 | R219-S247 PolarHBondContact NH2-OG 3.21Å; G245-S247 PolarHBondContact O-N 3.43Å; S247-L250 WeakPolarHBondContact O-CB 3.5Å; S247-L250 PolarHBondContact O-N 2.69Å; S247-D251 PolarHBondContact O-N 3.05Å; S247-D251 VanDerWaalsContact O-OD2 3.07Å |
| 248 | R | 88.8 | Confident | 92 | Very high | 130 Ų | 130 | 35.2 Ų | 35.2 | 49% | 0.491 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71.1 | -33.4 | -178.6 | -65.8 | -177 | 179.2 | 155 | -4.7 | 112 | P243 G245 L246 D251 A252 | P243-R248 HydrophobicContact CB-CB 3.67Å; P243-R248 HydrophobicContact CG-CB 3.76Å; P243-R248 WeakPolarHBondContact CG-O 3.1Å; G245-R248 PolarHBondContact O-N 3.19Å; L246-R248 VanDerWaalsContact C-N 3.31Å; L246-R248 PolarHBondContact O-N 3.25Å; R248-D251 PolarHBondContact O-N 3.15Å; R248-A252 VanDerWaalsContact O-CB 3.29Å; R248-A252 WeakPolarHBondContact O-CB 3.46Å; R248-A252 PolarHBondContact O-N 3.37Å |
| 249 | L | 93.7 | Very high | 92 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61 | -48.3 | 172.1 | -73.6 | 167.2 | 0 | 0 | 0 | 110.4 | K228 L231 I232 L235 V242 P243 G245 L246 D251 A252 V253 | K228-L249 HydrophobicContact CG-CD1 3.9Å; L231-L249 HydrophobicContact CB-CB 4.39Å; L231-L249 HydrophobicContact CD1-CB 4.4Å; I232-L249 HydrophobicContact CD1-CD1 4.33Å; I232-L249 HydrophobicContact CG1-CD1 3.94Å; I232-L249 HydrophobicContact CG1-CD2 3.88Å; L235-L249 HydrophobicContact CD1-CD2 3.81Å; V242-L249 HydrophobicContact CG1-CD2 3.84Å; P243-L249 HydrophobicContact CG-CD2 4.19Å; P243-L249 HydrophobicContact CG-CG 4.45Å; P243-L249 WeakPolarHBondContact O-CD2 3.5Å; P243-L249 WeakPolarHBondContact O-CG 3.42Å; G245-L249 PolarHBondContact O-N 2.8Å; L246-L249 WeakPolarHBondContact O-CB 3.46Å; L246-L249 PolarHBondContact O-N 2.82Å; L249-D251 VanDerWaalsContact C-N 3.35Å; L249-D251 PolarHBondContact O-N 3Å; L249-A252 PolarHBondContact O-N 3.41Å; L249-V253 WeakPolarHBondContact O-CG2 3.43Å; L249-V253 PolarHBondContact O-N 2.91Å |
| 250 | L | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.5 | -46 | 177.2 | -68.7 | 166.3 | 0 | 0 | 0 | 111.7 | R219 L222 E223 L231 L246 S247 A254 | R219-L250 HydrophobicContact CG-CB 3.75Å; L222-L250 HydrophobicContact CB-CD2 3.64Å; E223-L250 HydrophobicContact CB-CD1 3.73Å; E223-L250 HydrophobicContact CB-CD2 3.91Å; E223-L250 HydrophobicContact CB-CG 4.5Å; E223-L250 HydrophobicContact CG-CD1 3.8Å; L231-L250 HydrophobicContact CD1-CD2 3.58Å; L231-L250 HydrophobicContact CD1-CG 4.04Å; L231-L250 HydrophobicContact CD2-CD2 4.28Å; L246-L250 HydrophobicContact CD1-CD1 4.31Å; L246-L250 HydrophobicContact CD1-CG 4.25Å; L246-L250 HydrophobicContact CG-CD1 3.99Å; L246-L250 HydrophobicContact CG-CG 4.41Å; L246-L250 WeakPolarHBondContact O-CG 3.43Å; L246-L250 PolarHBondContact O-N 3.32Å; S247-L250 WeakPolarHBondContact O-CB 3.5Å; S247-L250 PolarHBondContact O-N 2.69Å; L250-A254 WeakPolarHBondContact O-CB 3.12Å; L250-A254 PolarHBondContact O-N 3.36Å |
| 251 | D | 91.8 | Very high | 92.3 | Very high | 55 Ų | 55 | 29.6 Ų | 29.6 | 29% | 0.294 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.5 | -43 | 179.2 | -58.3 | -26.3 | 0 | 0 | 0 | 111.5 | R219 S247 R248 L249 D255 | R219-D251 VanDerWaalsContact CD-OD1 3.22Å; R219-D251 WeakPolarHBondContact CD-OD1 3.48Å; R219-D251 IonicContact NE-OD1 3.1Å; R219-D251 PolarHBondContact NE-OD1 2.93Å; S247-D251 PolarHBondContact O-N 3.05Å; S247-D251 VanDerWaalsContact O-OD2 3.07Å; R248-D251 PolarHBondContact O-N 3.15Å; L249-D251 VanDerWaalsContact C-N 3.35Å; L249-D251 PolarHBondContact O-N 3Å; D251-D255 WeakPolarHBondContact O-CB 3.35Å; D251-D255 PolarHBondContact O-N 3.06Å |
| 252 | A | 93.4 | Very high | 92.6 | Very high | 29 Ų | 29 | 26.9 Ų | 26.9 | 24% | 0.24 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.8 | -45.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L235 P243 R248 L249 A256 | L235-A252 HydrophobicContact CD1-CB 4.06Å; L235-A252 HydrophobicContact CD2-CB 4.2Å; P243-A252 HydrophobicContact CG-CB 4.06Å; R248-A252 VanDerWaalsContact O-CB 3.29Å; R248-A252 WeakPolarHBondContact O-CB 3.46Å; R248-A252 PolarHBondContact O-N 3.37Å; L249-A252 PolarHBondContact O-N 3.41Å; A252-A256 VanDerWaalsContact O-CB 3.31Å; A252-A256 WeakPolarHBondContact O-CB 3.36Å; A252-A256 PolarHBondContact O-N 3.48Å |
| 253 | V | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.3 | -43.5 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | L222 L231 L234 L235 L249 D255 A256 M257 | L222-V253 HydrophobicContact CD1-CB 4.16Å; L222-V253 HydrophobicContact CD1-CG1 3.75Å; L222-V253 HydrophobicContact CD2-CG1 3.97Å; L231-V253 HydrophobicContact CB-CG2 4.27Å; L231-V253 HydrophobicContact CD2-CB 4.19Å; L231-V253 HydrophobicContact CD2-CG1 4.14Å; L231-V253 HydrophobicContact CD2-CG2 3.97Å; L234-V253 HydrophobicContact CD1-CG1 4.21Å; L235-V253 HydrophobicContact CD1-CG2 4.01Å; L235-V253 HydrophobicContact CD2-CG2 3.75Å; L235-V253 HydrophobicContact CG-CG2 3.61Å; L249-V253 WeakPolarHBondContact O-CG2 3.43Å; L249-V253 PolarHBondContact O-N 2.91Å; V253-D255 PolarHBondContact O-N 3.24Å; V253-A256 PolarHBondContact O-N 2.9Å; V253-M257 HydrophobicContact CG1-CG 4.12Å; V253-M257 HydrophobicContact CG1-SD 3.68Å; V253-M257 VanDerWaalsContact O-CB 3.3Å; V253-M257 WeakPolarHBondContact O-CB 3.4Å; V253-M257 VanDerWaalsContact O-CG 3.27Å; V253-M257 WeakPolarHBondContact O-CG 3.49Å; V253-M257 PolarHBondContact O-N 2.91Å |
| 254 | A | 95.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 31 Ų | 31 | 2% | 0.017 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L215 L218 R219 L222 L250 I258 | L215-A254 HydrophobicContact CD2-CB 4.19Å; L218-A254 HydrophobicContact CD2-CB 4.31Å; L218-A254 HydrophobicContact CG-CB 4.42Å; R219-A254 HydrophobicContact CB-CB 4.39Å; L222-A254 HydrophobicContact CD1-CB 4.12Å; L250-A254 WeakPolarHBondContact O-CB 3.12Å; L250-A254 PolarHBondContact O-N 3.36Å; A254-I258 WeakPolarHBondContact O-CB 3.44Å; A254-I258 WeakPolarHBondContact O-CG1 3.43Å; A254-I258 PolarHBondContact O-N 2.91Å |
| 255 | D | 94.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 26.6 Ų | 26.6 | 6% | 0.064 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.4 | -48 | 175 | -173.6 | -93.2 | 0 | 0 | 0 | 111.4 | D251 V253 M257 I258 F259 R301 R326 | D251-D255 WeakPolarHBondContact O-CB 3.35Å; D251-D255 PolarHBondContact O-N 3.06Å; V253-D255 PolarHBondContact O-N 3.24Å; D255-M257 PolarHBondContact O-N 3.49Å; D255-I258 PolarHBondContact O-N 2.91Å; D255-F259 WeakPolarHBondContact O-CD2 3.14Å; D255-F259 PolarHBondContact O-N 2.81Å; D255-F259 VanDerWaalsContact OD2-CD2 3.3Å; D255-F259 WeakPolarHBondContact OD2-CD2 3.25Å; D255-R301 IonicContact OD1-CZ 2.72Å; D255-R301 VanDerWaalsContact OD1-CZ 3.31Å; D255-R301 IonicContact OD1-NH1 3.2Å; D255-R301 PolarHBondContact OD1-NH1 2.94Å; D255-R301 IonicContact OD1-NH2 3.74Å; D255-R301 PolarHBondContact OD1-NH2 3.25Å; D255-R301 IonicContact OD2-NH2 3.92Å; D255-R326 IonicContact OD2-NE 2.81Å |
| 256 | A | 95.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | A252 V253 G260 F304 | A252-A256 VanDerWaalsContact O-CB 3.31Å; A252-A256 WeakPolarHBondContact O-CB 3.36Å; A252-A256 PolarHBondContact O-N 3.48Å; V253-A256 PolarHBondContact O-N 2.9Å; A256-G260 CarbonylContact O-C 3.5Å; A256-G260 WeakPolarHBondContact O-CA 3.46Å; A256-G260 PolarHBondContact O-N 2.91Å; A256-F304 HydrophobicContact CB-CD2 3.53Å; A256-F304 HydrophobicContact CB-CE2 3.56Å; A256-F304 HydrophobicContact CB-CG 4.49Å; A256-F304 WeakPolarHBondContact O-CB 3.44Å |
| 257 | M | 95.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.3 | -34.5 | 175.8 | -74.5 | -178.3 | 74.8 | 0 | 0 | 113 | L218 L222 V253 D255 F304 I306 F315 L316 Y319 | L218-M257 HydrophobicContact CD1-CE 4.36Å; L218-M257 HydrophobicContact CD2-CB 3.74Å; L218-M257 HydrophobicContact CD2-SD 4.29Å; L222-M257 HydrophobicContact CD1-SD 4.32Å; L222-M257 HydrophobicContact CD2-SD 4.03Å; V253-M257 HydrophobicContact CG1-CG 4.12Å; V253-M257 HydrophobicContact CG1-SD 3.68Å; V253-M257 VanDerWaalsContact O-CB 3.3Å; V253-M257 WeakPolarHBondContact O-CB 3.4Å; V253-M257 VanDerWaalsContact O-CG 3.27Å; V253-M257 WeakPolarHBondContact O-CG 3.49Å; V253-M257 PolarHBondContact O-N 2.91Å; D255-M257 PolarHBondContact O-N 3.49Å; M257-F304 HydrophobicContact CB-CD1 4.45Å; M257-F304 HydrophobicContact CG-CD1 3.59Å; M257-F304 HydrophobicContact CG-CE1 3.41Å; M257-F304 VanDerWaalsContact CG-CE1 3.41Å; M257-F304 HydrophobicContact CG-CG 4.32Å; M257-F304 HydrophobicContact CG-CZ 4.02Å; M257-F304 HydrophobicContact SD-CE1 4.37Å; M257-I306 HydrophobicContact CE-CD1 4.33Å; M257-F315 HydrophobicContact CE-CE2 4.28Å; M257-L316 HydrophobicContact CE-CD2 3.58Å; M257-L316 HydrophobicContact SD-CD2 4.23Å; M257-Y319 HydrophobicContact CB-CE2 4.02Å; M257-Y319 HydrophobicContact CE-CD2 3.54Å; M257-Y319 HydrophobicContact CE-CE2 3.83Å; M257-Y319 HydrophobicContact CE-CG 4.11Å; M257-Y319 HydrophobicContact CG-CE2 4.43Å; M257-Y319 WeakPolarHBondContact O-CE2 3.37Å; M257-Y319 PolarHBondContact O-OH 3.2Å |
| 258 | I | 95 | Very high | 91.8 | Very high | 8 Ų | 8 | 24.3 Ų | 24.3 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -83.4 | -41.9 | -177.1 | -72.2 | 163.1 | 0 | 0 | 0 | 112.1 | L214 L215 L218 A254 D255 R324 | L214-I258 HydrophobicContact CD2-CD1 4.46Å; L214-I258 HydrophobicContact CD2-CG2 3.84Å; L214-I258 HydrophobicContact CG-CD1 3.9Å; L214-I258 HydrophobicContact CG-CG1 4.39Å; L214-I258 HydrophobicContact CG-CG2 4.45Å; L215-I258 HydrophobicContact CD2-CD1 3.82Å; L215-I258 HydrophobicContact CG-CD1 4.38Å; L218-I258 HydrophobicContact CB-CD1 4Å; L218-I258 HydrophobicContact CD2-CD1 3.66Å; L218-I258 HydrophobicContact CD2-CG1 3.6Å; L218-I258 HydrophobicContact CG-CD1 4.48Å; A254-I258 WeakPolarHBondContact O-CB 3.44Å; A254-I258 WeakPolarHBondContact O-CG1 3.43Å; A254-I258 PolarHBondContact O-N 2.91Å; D255-I258 PolarHBondContact O-N 2.91Å; I258-R324 PolarHBondContact O-NH1 3.02Å |
| 259 | F | 95.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.013 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -108.2 | -19.6 | -172 | -55.3 | -76 | 0 | 0 | 0 | 113.5 | Q211 L215 D255 R301 Y321 R324 R326 | Q211-F259 HydrophobicContact CG-CE1 4.28Å; Q211-F259 HydrophobicContact CG-CZ 3.67Å; L215-F259 HydrophobicContact CD2-CE2 4Å; L215-F259 HydrophobicContact CG-CE2 4.4Å; D255-F259 WeakPolarHBondContact O-CD2 3.14Å; D255-F259 PolarHBondContact O-N 2.81Å; D255-F259 VanDerWaalsContact OD2-CD2 3.3Å; D255-F259 WeakPolarHBondContact OD2-CD2 3.25Å; F259-R301 VanDerWaalsContact O-CD 3.24Å; F259-R301 WeakPolarHBondContact O-CD 3.4Å; F259-Y321 PolarHBondContact O-OH 3.46Å; F259-R324 HydrophobicContact CD1-CB 3.93Å; F259-R324 HydrophobicContact CE1-CB 4.22Å; F259-R326 HydrophobicContact CD1-CB 3.94Å; F259-R326 HydrophobicContact CE1-CB 4.17Å; F259-R326 VanDerWaalsContact CE2-CD 3.42Å; F259-R326 HydrophobicContact CG-CB 4.15Å; F259-R326 VanDerWaalsContact CZ-CD 3.47Å |
| 260 | G | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | 113.4 | 159.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | A256 R301 R302 Y321 | A256-G260 CarbonylContact O-C 3.5Å; A256-G260 WeakPolarHBondContact O-CA 3.46Å; A256-G260 PolarHBondContact O-N 2.91Å; G260-R301 PolarHBondContact O-NH1 3.08Å; G260-R302 CarbonylContact C-O 3.43Å; G260-R302 VanDerWaalsContact CA-O 3.31Å; G260-R302 WeakPolarHBondContact CA-O 3.39Å; G260-Y321 VanDerWaalsContact CA-CE2 3.49Å | ||
| 261 | A | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 133.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | N238 Q240 R301 R302 F304 | N238-A261 HydrophobicContact CB-CB 4.17Å; Q240-A261 HydrophobicContact CG-CB 4.37Å; A261-R301 CarbonylContact O-C 3.59Å; A261-R301 WeakPolarHBondContact O-CA 3.22Å; A261-R302 HydrophobicContact CB-CG 3.84Å; A261-R302 PolarHBondContact N-O 2.7Å; A261-R302 PolarHBondContact O-N 3.03Å; A261-F304 HydrophobicContact CB-CD2 4.25Å |
| 262 | L | 93.2 | Very high | 89.3 | Confident | 11 Ų | 11 | 30.2 Ų | 30.2 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 143.4 | 178.2 | -64.3 | 163.6 | 0 | 0 | 0 | 111 | Q240 L273 F280 P299 R301 | Q240-L262 PolarHBondContact NE2-O 3.17Å; L262-L273 HydrophobicContact CB-CB 4.24Å; L262-L273 HydrophobicContact CD1-CB 4.02Å; L262-L273 WeakPolarHBondContact CD1-O 3.09Å; L262-L273 HydrophobicContact CG-CB 4.5Å; L262-F280 HydrophobicContact CD1-CD1 3.65Å; L262-F280 HydrophobicContact CD1-CE1 3.94Å; L262-F280 HydrophobicContact CD2-CD1 3.71Å; L262-F280 HydrophobicContact CD2-CE1 3.93Å; L262-F280 HydrophobicContact CD2-CG 4.22Å; L262-F280 HydrophobicContact CG-CD1 4.36Å; L262-P299 HydrophobicContact CD2-CB 3.58Å; L262-P299 HydrophobicContact CD2-CG 3.45Å; L262-P299 VanDerWaalsContact CD2-CG 3.45Å; L262-R301 HydrophobicContact CD2-CG 4.09Å |
| 263 | S | 90.7 | Very high | 89.1 | Confident | 35 Ų | 35 | 29 Ų | 29 | 25% | 0.245 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -81.3 | 165.8 | 171.4 | -50.2 | 0 | 0 | 0 | 0 | 111.3 | D300 | S263-D300 WeakPolarHBondContact CB-O 3.41Å; S263-D300 PolarHBondContact N-O 3.18Å; S263-D300 PolarHBondContact OG-O 3.17Å |
| 264 | Y | 88.7 | Confident | 88.7 | Confident | 119 Ų | 119 | 31.6 Ų | 31.6 | 47% | 0.467 | 16% | 0.162 | S | C | . | . | B | Isolated β-bridge | trans | -59.3 | 151.5 | 173.9 | -76.8 | -87 | 0 | 0 | 0 | 112.1 | P266 | Y264-P266 WeakPolarHBondContact O-CD 3.47Å |
| 265 | C | 87 | Confident | 88.3 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 121 | 177.1 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | S267 K269 G271 L273 C282 Y294 | C265-S267 PolarHBondContact O-N 3.3Å; C265-K269 WeakPolarHBondContact O-CA 3.32Å; C265-K269 PolarHBondContact O-N 3.33Å; C265-G271 WeakPolarHBondContact CB-O 3.29Å; C265-G271 PolarHBondContact N-O 3.21Å; C265-L273 HydrophobicContact CB-CD2 4.05Å; C265-C282 HydrophobicContact CB-CB 4.03Å; C265-C282 VanDerWaalsContact CB-SG 3.52Å; C265-C282 VanDerWaalsContact SG-SG 3.6Å; C265-Y294 VanDerWaalsContact SG-CB 3.54Å |
| 266 | P | 85.9 | Confident | 87.5 | Confident | 72 Ų | 72 | 35.1 Ų | 35.1 | 47% | 0.468 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -17.5 | -178.5 | 29 | -35.6 | 0 | 0 | 0 | 113.2 | Y264 Y294 | Y264-P266 WeakPolarHBondContact O-CD 3.47Å; P266-Y294 HydrophobicContact CG-CD1 4.49Å; P266-Y294 HydrophobicContact CG-CD2 4.25Å; P266-Y294 HydrophobicContact CG-CE1 3.82Å; P266-Y294 HydrophobicContact CG-CE2 3.55Å; P266-Y294 VanDerWaalsContact CG-OH 3.3Å; P266-Y294 WeakPolarHBondContact CG-OH 3.38Å |
| 267 | S | 82.3 | Confident | 86.5 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -70.3 | 179.7 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | C265 S689 L690 | C265-S267 PolarHBondContact O-N 3.3Å; S267-S689 WeakPolarHBondContact CB-OG 3.13Å; S267-S689 PolarHBondContact OG-OG 3.13Å; S267-L690 WeakPolarHBondContact O-CD1 3.34Å |
| 268 | C | 82.5 | Confident | 85.7 | Confident | 17 Ų | 17 | 35.2 Ų | 35.2 | 12% | 0.115 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -14.1 | -178.7 | 69.1 | 0 | 0 | 0 | 0 | 114.3 | N270 C282 A286 C292 | C268-N270 HydrophobicContact CB-CB 4.49Å; C268-N270 PolarHBondContact O-N 3.34Å; C268-N270 PolarHBondContact O-ND2 2.96Å; C268-N270 PolarHBondContact O-OD1 2.85Å; C268-N270 PolarHBondContact SG-N 3.19Å; C268-C282 PolarHBondContact SG-SG 3.34Å; C268-A286 HydrophobicContact CB-CB 4.5Å; C268-C292 HydrophobicContact CB-CB 4.05Å |
| 269 | K | 83.5 | Confident | 85.1 | Confident | 163 Ų | 163 | 35.1 Ų | 35.1 | 71% | 0.709 | 18% | 0.179 | S | C | * | . | S | Bend | trans | 58.1 | 3.1 | -174.3 | -56.1 | -177.8 | -178.9 | 178.4 | 0 | 115.8 | C265 | C265-K269 WeakPolarHBondContact O-CA 3.32Å; C265-K269 PolarHBondContact O-N 3.33Å |
| 270 | N | 74.8 | Confident | 84.7 | Confident | 116 Ų | 116 | 35 Ų | 35 | 62% | 0.62 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -107.4 | -6.2 | -168.4 | -68.2 | -19.7 | 0 | 0 | 0 | 114.5 | C268 A284 | C268-N270 HydrophobicContact CB-CB 4.49Å; C268-N270 PolarHBondContact O-N 3.34Å; C268-N270 PolarHBondContact O-ND2 2.96Å; C268-N270 PolarHBondContact O-OD1 2.85Å; C268-N270 PolarHBondContact SG-N 3.19Å; N270-A284 HydrophobicContact CB-CB 4.18Å |
| 271 | G | 74.4 | Confident | 84.2 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | trans | -140.6 | 142.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | C265 | C265-G271 WeakPolarHBondContact CB-O 3.29Å; C265-G271 PolarHBondContact N-O 3.21Å | ||
| 272 | P | 83.5 | Confident | 83.9 | Confident | 31 Ų | 31 | 36.3 Ų | 36.3 | 20% | 0.201 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -63.6 | 148.3 | 165.2 | 28.8 | -34 | 0 | 0 | 0 | 110.3 | H241 S283 | H241-P272 HydrophobicContact CB-CB 4.07Å; H241-P272 HydrophobicContact CB-CG 3.79Å; P272-S283 PolarHBondContact O-OG 3.28Å |
| 273 | L | 89.4 | Confident | 83.2 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 152.7 | 169.7 | -60.8 | 174.3 | 0 | 0 | 0 | 109.7 | L262 C265 F280 K281 C282 Y294 T296 P299 | L262-L273 HydrophobicContact CB-CB 4.24Å; L262-L273 HydrophobicContact CD1-CB 4.02Å; L262-L273 WeakPolarHBondContact CD1-O 3.09Å; L262-L273 HydrophobicContact CG-CB 4.5Å; C265-L273 HydrophobicContact CB-CD2 4.05Å; L273-F280 HydrophobicContact CB-CB 4.42Å; L273-K281 CarbonylContact C-O 3.52Å; L273-K281 WeakPolarHBondContact CA-O 3.42Å; L273-C282 HydrophobicContact CD2-CB 4.13Å; L273-Y294 HydrophobicContact CD1-CE1 4.27Å; L273-Y294 HydrophobicContact CD2-CD1 3.72Å; L273-Y294 HydrophobicContact CD2-CE1 3.91Å; L273-T296 HydrophobicContact CD1-CG2 4.46Å; L273-P299 HydrophobicContact CD1-CB 3.86Å |
| 274 | H | 87.1 | Confident | 83 | Confident | 54 Ų | 54 | 36.4 Ų | 36.4 | 25% | 0.25 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 151.3 | 172.4 | 70.5 | -71.4 | 0 | 0 | 0 | 110.4 | H241 F280 K281 | H241-H274 HydrophobicContact CB-CB 4.39Å; H274-F280 CarbonylContact O-C 3.44Å; H274-F280 VanDerWaalsContact O-CA 3.25Å; H274-F280 WeakPolarHBondContact O-CA 3.33Å; H274-K281 PolarHBondContact CE1-O 3.09Å; H274-K281 PolarHBondContact N-O 2.91Å; H274-K281 PolarHBondContact ND1-O 3.24Å; H274-K281 PolarHBondContact O-N 2.82Å |
| 275 | Y | 86.4 | Confident | 82.9 | Confident | 58 Ų | 58 | 32.8 Ų | 32.8 | 23% | 0.227 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 134.8 | 175.2 | 178.5 | -88 | 0 | 0 | 0 | 110.9 | D72 F280 F328 | D72-Y275 VanDerWaalsContact CB-OH 3.31Å; D72-Y275 WeakPolarHBondContact CB-OH 3.4Å; Y275-F280 HydrophobicContact CD2-CE1 4.09Å; Y275-F280 AromaticContact CD2-CZ 3.91Å; Y275-F280 HydrophobicContact CD2-CZ 3.91Å; Y275-F280 HydrophobicContact CG-CE1 4.46Å; Y275-F328 HydrophobicContact CD2-CE1 4.04Å; Y275-F328 HydrophobicContact CD2-CZ 4.38Å; Y275-F328 HydrophobicContact CE2-CD1 4.31Å; Y275-F328 AromaticContact CE2-CE1 3.41Å; Y275-F328 HydrophobicContact CE2-CE1 3.41Å; Y275-F328 VanDerWaalsContact CE2-CE1 3.41Å; Y275-F328 HydrophobicContact CE2-CZ 4.14Å |
| 276 | S | 78.5 | Confident | 82.7 | Confident | 29 Ų | 29 | 34.4 Ų | 34.4 | 20% | 0.203 | 19% | 0.188 | C | C | . | . | trans | -155.3 | 111.9 | 172.3 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | Q279 | S276-Q279 CarbonylContact C-O 3.58Å; S276-Q279 PolarHBondContact N-O 3.13Å; S276-Q279 WeakPolarHBondContact O-CG 3.46Å | ||
| 277 | N | 74.2 | Confident | 82.8 | Confident | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 47 | 74.2 | 172.9 | -59.3 | -29 | 0 | 0 | 0 | 113 | Y5 N70 Q279 V333 | Y5-N277 VanDerWaalsContact CE2-ND2 3.31Å; Y5-N277 WeakPolarHBondContact CE2-ND2 3.46Å; Y5-N277 WeakPolarHBondContact OH-CB 3.49Å; Y5-N277 PolarHBondContact OH-ND2 3.03Å; N70-N277 VanDerWaalsContact CA-OD1 3.26Å; N70-N277 WeakPolarHBondContact CA-OD1 3.16Å; N70-N277 PolarHBondContact N-OD1 2.97Å; N277-Q279 VanDerWaalsContact C-N 3.32Å; N277-Q279 PolarHBondContact O-N 3.33Å; N277-V333 VanDerWaalsContact O-CG2 3.29Å; N277-V333 WeakPolarHBondContact O-CG2 3.47Å |
| 278 | G | 77.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 79.3 | 6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | D72 R297 F328 | D72-G278 PolarHBondContact OD2-N 3.3Å; G278-R297 WeakPolarHBondContact O-CG 3.45Å; G278-R297 PolarHBondContact O-NE 3.2Å; G278-F328 VanDerWaalsContact CA-CD1 3.47Å; G278-F328 WeakPolarHBondContact O-CD1 3.34Å; G278-F328 VanDerWaalsContact O-CE1 3.27Å; G278-F328 WeakPolarHBondContact O-CE1 3.06Å |
| 279 | Q | 82.8 | Confident | 83.5 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 2% | 0.023 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -161.3 | 166.3 | -178.1 | 55.2 | -174.7 | -23.4 | 0 | 0 | 112.3 | S276 N277 K281 H295 R297 V333 | S276-Q279 CarbonylContact C-O 3.58Å; S276-Q279 PolarHBondContact N-O 3.13Å; S276-Q279 WeakPolarHBondContact O-CG 3.46Å; N277-Q279 VanDerWaalsContact C-N 3.32Å; N277-Q279 PolarHBondContact O-N 3.33Å; Q279-K281 VanDerWaalsContact CD-CE 3.46Å; Q279-K281 HydrophobicContact CG-CG 4.26Å; Q279-H295 PolarHBondContact OE1-CD2 3.22Å; Q279-R297 HydrophobicContact CB-CG 4.19Å; Q279-V333 HydrophobicContact CB-CG2 4.13Å; Q279-V333 HydrophobicContact CG-CG2 3.89Å |
| 280 | F | 87.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.8 | 170.5 | -63.8 | -86.4 | 0 | 0 | 0 | 110.2 | L262 L273 H274 Y275 H295 T296 P299 R301 R326 F328 | L262-F280 HydrophobicContact CD1-CD1 3.65Å; L262-F280 HydrophobicContact CD1-CE1 3.94Å; L262-F280 HydrophobicContact CD2-CD1 3.71Å; L262-F280 HydrophobicContact CD2-CE1 3.93Å; L262-F280 HydrophobicContact CD2-CG 4.22Å; L262-F280 HydrophobicContact CG-CD1 4.36Å; L273-F280 HydrophobicContact CB-CB 4.42Å; H274-F280 CarbonylContact O-C 3.44Å; H274-F280 VanDerWaalsContact O-CA 3.25Å; H274-F280 WeakPolarHBondContact O-CA 3.33Å; Y275-F280 HydrophobicContact CD2-CE1 4.09Å; Y275-F280 AromaticContact CD2-CZ 3.91Å; Y275-F280 HydrophobicContact CD2-CZ 3.91Å; Y275-F280 HydrophobicContact CG-CE1 4.46Å; F280-H295 CarbonylContact O-C 3.5Å; F280-H295 WeakPolarHBondContact O-CA 3.3Å; F280-H295 WeakPolarHBondContact O-CB 3.49Å; F280-T296 HydrophobicContact CB-CG2 4.32Å; F280-T296 WeakPolarHBondContact CB-O 3.35Å; F280-T296 PolarHBondContact N-O 3.15Å; F280-T296 PolarHBondContact O-N 3.25Å; F280-P299 HydrophobicContact CB-CB 4.39Å; F280-P299 HydrophobicContact CB-CG 4.36Å; F280-P299 HydrophobicContact CD1-CG 4.33Å; F280-P299 HydrophobicContact CD2-CB 4.24Å; F280-P299 VanDerWaalsContact CD2-CD 3.42Å; F280-P299 HydrophobicContact CD2-CG 3.36Å; F280-P299 HydrophobicContact CE2-CG 3.66Å; F280-P299 HydrophobicContact CG-CB 4.25Å; F280-P299 HydrophobicContact CG-CG 3.74Å; F280-P299 HydrophobicContact CZ-CG 4.39Å; F280-R301 VanDerWaalsContact CE1-NH2 3.26Å; F280-R326 HydrophobicContact CE2-CG 4.28Å; F280-R326 HydrophobicContact CZ-CG 4.3Å; F280-F328 AromaticContact CD2-CZ 3.99Å; F280-F328 HydrophobicContact CD2-CZ 3.99Å; F280-F328 AromaticContact CE2-CE2 3.99Å; F280-F328 HydrophobicContact CE2-CE2 3.99Å; F280-F328 AromaticContact CE2-CZ 3.44Å; F280-F328 HydrophobicContact CE2-CZ 3.44Å; F280-F328 VanDerWaalsContact CE2-CZ 3.44Å; F280-F328 HydrophobicContact CZ-CZ 4.15Å |
| 281 | K | 85.1 | Confident | 84.3 | Confident | 23 Ų | 23 | 26.3 Ų | 26.3 | 10% | 0.1 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 147.3 | -178 | -58.2 | -172.6 | -179.3 | -175.5 | 0 | 110.7 | L273 H274 Q279 Y294 H295 | L273-K281 CarbonylContact C-O 3.52Å; L273-K281 WeakPolarHBondContact CA-O 3.42Å; H274-K281 PolarHBondContact CE1-O 3.09Å; H274-K281 PolarHBondContact N-O 2.91Å; H274-K281 PolarHBondContact ND1-O 3.24Å; H274-K281 PolarHBondContact O-N 2.82Å; Q279-K281 VanDerWaalsContact CD-CE 3.46Å; Q279-K281 HydrophobicContact CG-CG 4.26Å; K281-Y294 WeakPolarHBondContact CA-O 3.32Å; K281-H295 HydrophobicContact CG-CB 4.01Å |
| 282 | C | 86.3 | Confident | 84.7 | Confident | 6 Ų | 6 | 26.6 Ų | 26.6 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 139.3 | 167.3 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | C265 C268 L273 A284 C292 Y294 | C265-C282 HydrophobicContact CB-CB 4.03Å; C265-C282 VanDerWaalsContact CB-SG 3.52Å; C265-C282 VanDerWaalsContact SG-SG 3.6Å; C268-C282 PolarHBondContact SG-SG 3.34Å; L273-C282 HydrophobicContact CD2-CB 4.13Å; C282-A284 PolarHBondContact SG-N 3.2Å; C282-C292 HydrophobicContact CB-CB 3.84Å; C282-C292 VanDerWaalsContact SG-CB 3.56Å; C282-Y294 PolarHBondContact N-O 3.05Å |
| 283 | S | 80 | Confident | 84.6 | Confident | 31 Ų | 31 | 27.3 Ų | 27.3 | 22% | 0.217 | 15% | 0.145 | C | C | . | . | trans | -106.9 | -8.9 | 174.2 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | P272 | P272-S283 PolarHBondContact O-OG 3.28Š| ||
| 284 | A | 84.9 | Confident | 84.3 | Confident | 16 Ų | 16 | 29.2 Ų | 29.2 | 13% | 0.132 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -70.3 | 149.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | N270 C282 A286 C292 | N270-A284 HydrophobicContact CB-CB 4.18Å; C282-A284 PolarHBondContact SG-N 3.2Å; A284-A286 PolarHBondContact O-N 3.07Å; A284-C292 PolarHBondContact O-N 3.04Å |
| 285 | M | 86.4 | Confident | 84 | Confident | 43 Ų | 43 | 30.2 Ų | 30.2 | 21% | 0.212 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -65.2 | 125.8 | 164.5 | -64.7 | -58.5 | -61.5 | 0 | 0 | 109.1 | T287 Q291 P595 | M285-T287 WeakPolarHBondContact CE-O 3.5Å; M285-Q291 HydrophobicContact SD-CG 3.52Å; M285-Q291 VanDerWaalsContact SD-CG 3.52Å; M285-P595 HydrophobicContact CE-CB 3.87Å; M285-P595 HydrophobicContact CE-CG 4.27Å; M285-P595 HydrophobicContact CG-CB 3.93Å; M285-P595 HydrophobicContact CG-CG 4.12Å; M285-P595 HydrophobicContact SD-CB 4.12Å |
| 286 | A | 83.7 | Confident | 83.9 | Confident | 35 Ų | 35 | 28.4 Ų | 28.4 | 29% | 0.289 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -85.7 | -34.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | C268 A284 V290 C292 T693 | C268-A286 HydrophobicContact CB-CB 4.5Å; A284-A286 PolarHBondContact O-N 3.07Å; A286-V290 PolarHBondContact N-O 3.41Å; A286-C292 HydrophobicContact CB-CB 3.98Å; A286-T693 HydrophobicContact CB-CG2 3.39Å |
| 287 | T | 88 | Confident | 84.2 | Confident | 20 Ų | 20 | 30.8 Ų | 30.8 | 12% | 0.123 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -134.8 | 173.3 | 172.5 | 68.8 | 0 | 0 | 0 | 0 | 108.6 | M285 W289 V290 S697 | M285-T287 WeakPolarHBondContact CE-O 3.5Å; T287-W289 PolarHBondContact O-N 3.32Å; T287-W289 VanDerWaalsContact O-N 3.15Å; T287-W289 PolarHBondContact OG1-N 3.09Å; T287-V290 PolarHBondContact N-O 3.48Å; T287-V290 PolarHBondContact OG1-N 3.09Å; T287-V290 VanDerWaalsContact OG1-N 3.14Å; T287-S697 WeakPolarHBondContact CB-OG 3.4Å; T287-S697 WeakPolarHBondContact CG2-OG 3.5Å; T287-S697 PolarHBondContact OG1-OG 3.24Å |
| 288 | E | 89.7 | Confident | 84.8 | Confident | 94 Ų | 94 | 35.8 Ų | 35.8 | 44% | 0.439 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -66.2 | -8.9 | 172.5 | 66.2 | -77.7 | -178.8 | 0 | 0 | 114.1 | K593 | E288-K593 HydrophobicContact CB-CG 4.34Å; E288-K593 WeakPolarHBondContact CB-O 3.35Å; E288-K593 HydrophobicContact CG-CB 3.85Å; E288-K593 HydrophobicContact CG-CG 3.91Å; E288-K593 PolarHBondContact O-NZ 3.48Å |
| 289 | W | 90.6 | Very high | 85.4 | Confident | 26 Ų | 26 | 36.6 Ų | 36.6 | 10% | 0.098 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -99.3 | -44.8 | 179.8 | -59.9 | 92 | 0 | 0 | 0 | 112.8 | T287 K593 Y599 T700 R701 T704 | T287-W289 PolarHBondContact O-N 3.32Å; T287-W289 VanDerWaalsContact O-N 3.15Å; T287-W289 PolarHBondContact OG1-N 3.09Å; W289-K593 HydrophobicContact CD2-CG 4.01Å; W289-K593 HydrophobicContact CE3-CD 4.26Å; W289-K593 HydrophobicContact CE3-CG 4.15Å; W289-K593 HydrophobicContact CH2-CB 4.39Å; W289-K593 HydrophobicContact CH2-CD 4.03Å; W289-K593 HydrophobicContact CH2-CG 4.03Å; W289-K593 HydrophobicContact CZ2-CB 3.96Å; W289-K593 HydrophobicContact CZ2-CD 4.36Å; W289-K593 HydrophobicContact CZ2-CG 3.85Å; W289-K593 HydrophobicContact CZ3-CD 3.96Å; W289-K593 HydrophobicContact CZ3-CG 4.17Å; W289-Y599 HydrophobicContact CH2-CD1 4.47Å; W289-Y599 AromaticContact CH2-CD2 3.61Å; W289-Y599 HydrophobicContact CH2-CD2 3.61Å; W289-Y599 HydrophobicContact CH2-CE2 4.05Å; W289-Y599 AromaticContact CH2-CG 3.85Å; W289-Y599 HydrophobicContact CH2-CG 3.85Å; W289-Y599 HydrophobicContact CZ2-CD2 4.19Å; W289-Y599 HydrophobicContact CZ2-CE2 4.31Å; W289-Y599 HydrophobicContact CZ3-CG 4.49Å; W289-T700 HydrophobicContact CE3-CG2 4.47Å; W289-R701 HydrophobicContact CD2-CB 4.09Å; W289-R701 HydrophobicContact CD2-CG 4.32Å; W289-R701 HydrophobicContact CE3-CB 4.29Å; W289-R701 HydrophobicContact CH2-CG 3.98Å; W289-R701 HydrophobicContact CZ2-CB 4.34Å; W289-R701 HydrophobicContact CZ2-CG 3.68Å; W289-R701 HydrophobicContact CZ3-CB 4.5Å; W289-R701 HydrophobicContact CZ3-CG 4.42Å; W289-T704 HydrophobicContact CH2-CG2 4.41Å; W289-T704 HydrophobicContact CZ3-CG2 3.88Å |
| 290 | V | 88.9 | Confident | 85.7 | Confident | 9 Ų | 9 | 42.1 Ų | 42.1 | 6% | 0.055 | 22% | 0.222 | C | C | . | . | trans | -137.1 | 150.5 | -168.9 | -58 | 0 | 0 | 0 | 0 | 114.6 | A286 T287 T693 L696 T700 | A286-V290 PolarHBondContact N-O 3.41Å; T287-V290 PolarHBondContact N-O 3.48Å; T287-V290 PolarHBondContact OG1-N 3.09Å; T287-V290 VanDerWaalsContact OG1-N 3.14Å; V290-T693 HydrophobicContact CG2-CG2 4.18Å; V290-L696 HydrophobicContact CB-CD2 4.17Å; V290-L696 HydrophobicContact CG1-CD2 4.2Å; V290-L696 HydrophobicContact CG1-CG 4.1Å; V290-L696 HydrophobicContact CG2-CD2 4.44Å; V290-T700 HydrophobicContact CG1-CG2 4.18Å; V290-T700 WeakPolarHBondContact CG1-OG1 3.39Å | ||
| 291 | Q | 84.9 | Confident | 85.9 | Confident | 60 Ų | 60 | 44.7 Ų | 44.7 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | B | Isolated β-bridge | trans | -72.3 | 151.1 | 170.8 | -69.4 | 179.3 | -19.4 | 0 | 0 | 111.2 | M285 L293 | M285-Q291 HydrophobicContact SD-CG 3.52Å; M285-Q291 VanDerWaalsContact SD-CG 3.52Å; Q291-L293 PolarHBondContact O-N 3.38Å |
| 292 | C | 83.2 | Confident | 86.3 | Confident | 7 Ų | 7 | 48 Ų | 48 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | trans | -61.1 | 127.4 | 174.7 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | C268 C282 A284 A286 Y294 | C268-C292 HydrophobicContact CB-CB 4.05Å; C282-C292 HydrophobicContact CB-CB 3.84Å; C282-C292 VanDerWaalsContact SG-CB 3.56Å; A284-C292 PolarHBondContact O-N 3.04Å; A286-C292 HydrophobicContact CB-CB 3.98Å; C292-Y294 PolarHBondContact O-N 2.91Å; C292-Y294 VanDerWaalsContact SG-CB 3.52Å | ||
| 293 | L | 81.2 | Confident | 86.7 | Confident | 46 Ų | 46 | 54.9 Ų | 54.9 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | trans | -80.9 | 1.6 | 179.9 | -66.2 | -179.3 | 0 | 0 | 0 | 114.2 | Q291 H295 I522 R692 T693 L696 | Q291-L293 PolarHBondContact O-N 3.38Å; L293-H295 PolarHBondContact O-N 2.84Å; L293-H295 PolarHBondContact O-ND1 3.23Å; L293-H295 VanDerWaalsContact O-ND1 3.11Å; L293-I522 HydrophobicContact CD2-CD1 3.56Å; L293-I522 HydrophobicContact CD2-CG1 4.14Å; L293-R692 HydrophobicContact CD1-CG 4.03Å; L293-T693 WeakPolarHBondContact CB-OG1 3.37Å; L293-T693 PolarHBondContact N-OG1 2.93Å; L293-L696 HydrophobicContact CD1-CB 4.14Å; L293-L696 HydrophobicContact CD1-CD2 3.73Å; L293-L696 HydrophobicContact CD2-CD2 3.73Å; L293-L696 HydrophobicContact CG-CD2 3.89Å | ||
| 294 | Y | 82.5 | Confident | 87.5 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 18% | 0.176 | 26% | 0.263 | C | S | . | . | trans | -60.3 | 128.1 | -178.2 | -179 | -93.7 | 0 | 0 | 0 | 111.1 | C265 P266 L273 K281 C282 C292 T296 | C265-Y294 VanDerWaalsContact SG-CB 3.54Å; P266-Y294 HydrophobicContact CG-CD1 4.49Å; P266-Y294 HydrophobicContact CG-CD2 4.25Å; P266-Y294 HydrophobicContact CG-CE1 3.82Å; P266-Y294 HydrophobicContact CG-CE2 3.55Å; P266-Y294 VanDerWaalsContact CG-OH 3.3Å; P266-Y294 WeakPolarHBondContact CG-OH 3.38Å; L273-Y294 HydrophobicContact CD1-CE1 4.27Å; L273-Y294 HydrophobicContact CD2-CD1 3.72Å; L273-Y294 HydrophobicContact CD2-CE1 3.91Å; K281-Y294 WeakPolarHBondContact CA-O 3.32Å; C282-Y294 PolarHBondContact N-O 3.05Å; C292-Y294 PolarHBondContact O-N 2.91Å; C292-Y294 VanDerWaalsContact SG-CB 3.52Å; Y294-T296 HydrophobicContact CE1-CG2 3.77Å | ||
| 295 | H | 81.7 | Confident | 87.9 | Confident | 75 Ų | 75 | 59.1 Ų | 59.1 | 35% | 0.347 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 153.9 | 173 | 61.7 | -84 | 0 | 0 | 0 | 110.2 | Q279 F280 K281 L293 | Q279-H295 PolarHBondContact OE1-CD2 3.22Å; F280-H295 CarbonylContact O-C 3.5Å; F280-H295 WeakPolarHBondContact O-CA 3.3Å; F280-H295 WeakPolarHBondContact O-CB 3.49Å; K281-H295 HydrophobicContact CG-CB 4.01Å; L293-H295 PolarHBondContact O-N 2.84Å; L293-H295 PolarHBondContact O-ND1 3.23Å; L293-H295 VanDerWaalsContact O-ND1 3.11Å |
| 296 | T | 83.5 | Confident | 88.3 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 147.6 | 178.1 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | L273 F280 Y294 T298 P299 | L273-T296 HydrophobicContact CD1-CG2 4.46Å; F280-T296 HydrophobicContact CB-CG2 4.32Å; F280-T296 WeakPolarHBondContact CB-O 3.35Å; F280-T296 PolarHBondContact N-O 3.15Å; F280-T296 PolarHBondContact O-N 3.25Å; Y294-T296 HydrophobicContact CE1-CG2 3.77Å; T296-T298 PolarHBondContact OG1-N 3.46Å; T296-T298 PolarHBondContact OG1-O 3.5Å; T296-T298 PolarHBondContact OG1-OG1 2.96Å; T296-P299 HydrophobicContact CG2-CB 3.87Å |
| 297 | R | 85.4 | Confident | 88.8 | Confident | 80 Ų | 80 | 56.8 Ų | 56.8 | 30% | 0.302 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -87.5 | -14.3 | 165.8 | -71.4 | -173.2 | 171.5 | 168.3 | 0.7 | 112.3 | G278 Q279 P299 F328 S332 | G278-R297 WeakPolarHBondContact O-CG 3.45Å; G278-R297 PolarHBondContact O-NE 3.2Å; Q279-R297 HydrophobicContact CB-CG 4.19Å; R297-P299 VanDerWaalsContact C-CD 3.46Å; R297-P299 WeakPolarHBondContact O-CD 3.49Å; R297-F328 HydrophobicContact CB-CD2 4.04Å; R297-F328 HydrophobicContact CB-CE2 4.09Å; R297-F328 HydrophobicContact CG-CD2 4.21Å; R297-F328 HydrophobicContact CG-CE2 4.44Å; R297-F328 VanDerWaalsContact O-CE2 3.26Å; R297-F328 WeakPolarHBondContact O-CE2 3.5Å; R297-S332 PolarHBondContact NH2-OG 3.23Å |
| 298 | T | 86.8 | Confident | 89 | Confident | 112 Ų | 112 | 64.6 Ų | 64.6 | 69% | 0.687 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -124.5 | 67.9 | -175.3 | 50.4 | 0 | 0 | 0 | 0 | 110.2 | T296 | T296-T298 PolarHBondContact OG1-N 3.46Å; T296-T298 PolarHBondContact OG1-O 3.5Å; T296-T298 PolarHBondContact OG1-OG1 2.96Å |
| 299 | P | 89.2 | Confident | 89.1 | Confident | 17 Ų | 17 | 66.4 Ų | 66.4 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | trans | -71.3 | 147.9 | 178.8 | 33.5 | -38.6 | 0 | 0 | 0 | 111 | L262 L273 F280 T296 R297 R301 | L262-P299 HydrophobicContact CD2-CB 3.58Å; L262-P299 HydrophobicContact CD2-CG 3.45Å; L262-P299 VanDerWaalsContact CD2-CG 3.45Å; L273-P299 HydrophobicContact CD1-CB 3.86Å; F280-P299 HydrophobicContact CB-CB 4.39Å; F280-P299 HydrophobicContact CB-CG 4.36Å; F280-P299 HydrophobicContact CD1-CG 4.33Å; F280-P299 HydrophobicContact CD2-CB 4.24Å; F280-P299 VanDerWaalsContact CD2-CD 3.42Å; F280-P299 HydrophobicContact CD2-CG 3.36Å; F280-P299 HydrophobicContact CE2-CG 3.66Å; F280-P299 HydrophobicContact CG-CB 4.25Å; F280-P299 HydrophobicContact CG-CG 3.74Å; F280-P299 HydrophobicContact CZ-CG 4.39Å; T296-P299 HydrophobicContact CG2-CB 3.87Å; R297-P299 VanDerWaalsContact C-CD 3.46Å; R297-P299 WeakPolarHBondContact O-CD 3.49Å; P299-R301 HydrophobicContact CG-CG 4.43Å | ||
| 300 | D | 89.8 | Confident | 89.2 | Confident | 120 Ų | 120 | 67 Ų | 67 | 64% | 0.642 | 31% | 0.311 | S | S | * | . | trans | -68.8 | 131.3 | 168.7 | -67.5 | -37.1 | 0 | 0 | 0 | 110.3 | S263 | S263-D300 WeakPolarHBondContact CB-O 3.41Å; S263-D300 PolarHBondContact N-O 3.18Å; S263-D300 PolarHBondContact OG-O 3.17Å | ||
| 301 | R | 92.5 | Very high | 89.2 | Confident | 54 Ų | 54 | 70.5 Ų | 70.5 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 147.2 | -176.9 | -66.3 | -178.8 | -178.1 | -105.2 | 13.8 | 112.3 | D255 F259 G260 A261 L262 F280 P299 | D255-R301 IonicContact OD1-CZ 2.72Å; D255-R301 VanDerWaalsContact OD1-CZ 3.31Å; D255-R301 IonicContact OD1-NH1 3.2Å; D255-R301 PolarHBondContact OD1-NH1 2.94Å; D255-R301 IonicContact OD1-NH2 3.74Å; D255-R301 PolarHBondContact OD1-NH2 3.25Å; D255-R301 IonicContact OD2-NH2 3.92Å; F259-R301 VanDerWaalsContact O-CD 3.24Å; F259-R301 WeakPolarHBondContact O-CD 3.4Å; G260-R301 PolarHBondContact O-NH1 3.08Å; A261-R301 CarbonylContact O-C 3.59Å; A261-R301 WeakPolarHBondContact O-CA 3.22Å; L262-R301 HydrophobicContact CD2-CG 4.09Å; F280-R301 VanDerWaalsContact CE1-NH2 3.26Å; P299-R301 HydrophobicContact CG-CG 4.43Å |
| 302 | R | 93.6 | Very high | 89.3 | Confident | 92 Ų | 92 | 73.7 Ų | 73.7 | 35% | 0.347 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 164.4 | 171.9 | 64.3 | -168.5 | 177.8 | -163.7 | -0.9 | 110.7 | N238 E239 G260 A261 F304 | N238-R302 PolarHBondContact O-NH2 3.4Å; E239-R302 VanDerWaalsContact CB-NH2 3.32Å; E239-R302 IonicContact OE2-CZ 3.21Å; E239-R302 IonicContact OE2-NH1 2.91Å; E239-R302 PolarHBondContact OE2-NH1 2.86Å; E239-R302 IonicContact OE2-NH2 3.31Å; E239-R302 PolarHBondContact OE2-NH2 2.77Å; G260-R302 CarbonylContact C-O 3.43Å; G260-R302 VanDerWaalsContact CA-O 3.31Å; G260-R302 WeakPolarHBondContact CA-O 3.39Å; A261-R302 HydrophobicContact CB-CG 3.84Å; A261-R302 PolarHBondContact N-O 2.7Å; A261-R302 PolarHBondContact O-N 3.03Å; R302-F304 PolarHBondContact O-N 3.32Å |
| 303 | K | 94.7 | Very high | 89.6 | Confident | 151 Ų | 151 | 74.3 Ų | 74.3 | 66% | 0.657 | 35% | 0.349 | S | S | * | . | trans | -61.6 | 128.8 | 179.6 | -60 | -173 | 178.1 | 176.3 | 0 | 110 | Y321 | K303-Y321 HydrophobicContact CB-CD1 4.03Å; K303-Y321 HydrophobicContact CB-CE1 4.46Å; K303-Y321 HydrophobicContact CB-CG 4.38Å; K303-Y321 HydrophobicContact CD-CD1 4.24Å; K303-Y321 HydrophobicContact CG-CD1 3.65Å; K303-Y321 HydrophobicContact CG-CE1 3.93Å; K303-Y321 HydrophobicContact CG-CG 4.46Å | ||
| 304 | F | 95.2 | Very high | 89.9 | Confident | 6 Ų | 6 | 77.7 Ų | 77.7 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | trans | -73.4 | 135 | 171.4 | -168.8 | -94.8 | 0 | 0 | 0 | 109.7 | L234 N238 A256 M257 A261 R302 I306 Y319 | L234-F304 HydrophobicContact CB-CZ 4.22Å; L234-F304 HydrophobicContact CD2-CE1 4.31Å; L234-F304 HydrophobicContact CD2-CZ 4.47Å; N238-F304 HydrophobicContact CB-CD2 3.95Å; N238-F304 HydrophobicContact CB-CE2 3.79Å; N238-F304 VanDerWaalsContact CG-CD2 3.49Å; N238-F304 VanDerWaalsContact CG-CE2 3.5Å; N238-F304 VanDerWaalsContact ND2-CE2 3.34Å; N238-F304 WeakPolarHBondContact ND2-CE2 3.09Å; N238-F304 WeakPolarHBondContact ND2-CZ 3.34Å; A256-F304 HydrophobicContact CB-CD2 3.53Å; A256-F304 HydrophobicContact CB-CE2 3.56Å; A256-F304 HydrophobicContact CB-CG 4.49Å; A256-F304 WeakPolarHBondContact O-CB 3.44Å; M257-F304 HydrophobicContact CB-CD1 4.45Å; M257-F304 HydrophobicContact CG-CD1 3.59Å; M257-F304 HydrophobicContact CG-CE1 3.41Å; M257-F304 VanDerWaalsContact CG-CE1 3.41Å; M257-F304 HydrophobicContact CG-CG 4.32Å; M257-F304 HydrophobicContact CG-CZ 4.02Å; M257-F304 HydrophobicContact SD-CE1 4.37Å; A261-F304 HydrophobicContact CB-CD2 4.25Å; R302-F304 PolarHBondContact O-N 3.32Å; F304-I306 HydrophobicContact CD1-CD1 3.92Å; F304-I306 HydrophobicContact CE1-CD1 3.64Å; F304-Y319 HydrophobicContact CD1-CE1 4.38Å | ||
| 305 | K | 95 | Very high | 90.3 | Very high | 131 Ų | 131 | 77.7 Ų | 77.7 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | trans | -117.6 | 141.4 | -175.5 | -64.8 | -179.8 | -176.7 | 176.1 | 0 | 110.3 | Y237 N238 P307 | Y237-K305 HydrophobicContact CD1-CB 4.31Å; Y237-K305 HydrophobicContact CE1-CB 3.72Å; Y237-K305 HydrophobicContact CE1-CD 4.43Å; N238-K305 PolarHBondContact ND2-O 2.92Å; N238-K305 PolarHBondContact OD1-N 3.15Å; K305-P307 WeakPolarHBondContact O-CD 3.38Å | ||
| 306 | I | 94.9 | Very high | 90.8 | Very high | 25 Ų | 25 | 74.2 Ų | 74.2 | 13% | 0.128 | 35% | 0.352 | C | S | . | . | trans | -98.2 | 116.3 | 174.9 | -52.4 | -57.2 | 0 | 0 | 0 | 108.9 | L234 M257 F304 Q311 L316 Y319 | L234-I306 HydrophobicContact CD2-CD1 3.97Å; M257-I306 HydrophobicContact CE-CD1 4.33Å; F304-I306 HydrophobicContact CD1-CD1 3.92Å; F304-I306 HydrophobicContact CE1-CD1 3.64Å; I306-Q311 HydrophobicContact CG2-CG 4.31Å; I306-L316 HydrophobicContact CD1-CD2 4.38Å; I306-L316 HydrophobicContact CG2-CB 4.12Å; I306-Y319 HydrophobicContact CD1-CD1 4.04Å; I306-Y319 HydrophobicContact CD1-CG 4.39Å; I306-Y319 HydrophobicContact CG1-CD1 3.66Å; I306-Y319 HydrophobicContact CG1-CE1 4.43Å; I306-Y319 HydrophobicContact CG1-CG 4.14Å | ||
| 307 | P | 93.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 79.2 Ų | 79.2 | 2% | 0.019 | 37% | 0.373 | C | S | . | . | trans | -52.2 | 147.7 | 169.3 | -28.7 | 36.3 | 0 | 0 | 0 | 112.7 | Y237 K305 E309 Y310 | Y237-P307 HydrophobicContact CD1-CG 3.62Å; Y237-P307 HydrophobicContact CD2-CB 4.41Å; Y237-P307 HydrophobicContact CD2-CG 3.79Å; Y237-P307 HydrophobicContact CE1-CG 4.11Å; Y237-P307 HydrophobicContact CE2-CG 4.28Å; Y237-P307 HydrophobicContact CG-CB 4.47Å; Y237-P307 HydrophobicContact CG-CG 3.43Å; Y237-P307 VanDerWaalsContact CG-CG 3.43Å; K305-P307 WeakPolarHBondContact O-CD 3.38Å; P307-E309 HydrophobicContact CB-CG 3.76Å; P307-E309 PolarHBondContact O-N 3.34Å; P307-Y310 HydrophobicContact CB-CD2 3.68Å; P307-Y310 HydrophobicContact CB-CE2 3.95Å; P307-Y310 HydrophobicContact CG-CD2 3.67Å; P307-Y310 HydrophobicContact CG-CE2 3.79Å; P307-Y310 PolarHBondContact O-N 3.45Å | ||
| 308 | K | 91.3 | Very high | 91.4 | Very high | 185 Ų | 185 | 81 Ų | 81 | 80% | 0.804 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -59.3 | -33.8 | 179.4 | -71.1 | -176.1 | 178.3 | -179.8 | 0 | 112.7 | Y310 Q311 | K308-Y310 PolarHBondContact O-N 3.4Å; K308-Q311 WeakPolarHBondContact O-CB 3.41Å; K308-Q311 PolarHBondContact O-N 3.13Å |
| 309 | E | 92.5 | Very high | 91.7 | Very high | 132 Ų | 132 | 78.1 Ų | 78.1 | 62% | 0.617 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -64.4 | -19.4 | 179.3 | 63.5 | -161.8 | -126.7 | 0 | 0 | 114.7 | P307 | P307-E309 HydrophobicContact CB-CG 3.76Å; P307-E309 PolarHBondContact O-N 3.34Å |
| 310 | Y | 91.7 | Very high | 91.8 | Very high | 38 Ų | 38 | 86 Ų | 86 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -106.7 | 13.4 | 178.4 | -52.2 | -53.5 | 0 | 0 | 0 | 113.2 | A230 L234 P307 K308 D312 L316 | A230-Y310 HydrophobicContact CB-CD1 3.69Å; A230-Y310 HydrophobicContact CB-CE1 3.55Å; L234-Y310 HydrophobicContact CD2-CD2 3.77Å; L234-Y310 HydrophobicContact CD2-CE2 4.46Å; L234-Y310 HydrophobicContact CD2-CG 4.46Å; L234-Y310 HydrophobicContact CG-CD2 3.9Å; L234-Y310 HydrophobicContact CG-CE2 4.28Å; P307-Y310 HydrophobicContact CB-CD2 3.68Å; P307-Y310 HydrophobicContact CB-CE2 3.95Å; P307-Y310 HydrophobicContact CG-CD2 3.67Å; P307-Y310 HydrophobicContact CG-CE2 3.79Å; P307-Y310 PolarHBondContact O-N 3.45Å; K308-Y310 PolarHBondContact O-N 3.4Å; Y310-D312 VanDerWaalsContact CA-OD1 3.29Å; Y310-D312 WeakPolarHBondContact CA-OD1 3.16Å; Y310-L316 WeakPolarHBondContact O-CB 3.45Å |
| 311 | Q | 89 | Confident | 91.9 | Very high | 82 Ų | 82 | 82.7 Ų | 82.7 | 38% | 0.383 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 5 | 176.2 | -64 | -176.2 | 6.5 | 0 | 0 | 113 | I306 K308 V313 K317 | I306-Q311 HydrophobicContact CG2-CG 4.31Å; K308-Q311 WeakPolarHBondContact O-CB 3.41Å; K308-Q311 PolarHBondContact O-N 3.13Å; Q311-V313 VanDerWaalsContact C-N 3.29Å; Q311-K317 HydrophobicContact CB-CB 4.23Å; Q311-K317 HydrophobicContact CB-CG 4.29Å; Q311-K317 WeakPolarHBondContact O-CB 3.39Å |
| 312 | D | 87.6 | Confident | 91.8 | Very high | 127 Ų | 127 | 83.7 Ų | 83.7 | 68% | 0.679 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -26.3 | 166.8 | 62.9 | -39.7 | 0 | 0 | 0 | 112 | Y310 | Y310-D312 VanDerWaalsContact CA-OD1 3.29Å; Y310-D312 WeakPolarHBondContact CA-OD1 3.16Å |
| 313 | V | 89.1 | Confident | 91.7 | Very high | 21 Ų | 21 | 88.1 Ų | 88.1 | 13% | 0.127 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -84.5 | 114.4 | 172.9 | -177 | 0 | 0 | 0 | 0 | 110.2 | Q225 V226 Q311 F315 L316 K317 | Q225-V313 HydrophobicContact CB-CG1 4.26Å; V226-V313 HydrophobicContact CG2-CG1 4.39Å; Q311-V313 VanDerWaalsContact C-N 3.29Å; V313-F315 VanDerWaalsContact C-N 3.31Å; V313-F315 HydrophobicContact CG1-CD1 3.48Å; V313-F315 VanDerWaalsContact CG1-CD1 3.48Å; V313-F315 HydrophobicContact CG1-CE1 3.45Å; V313-F315 VanDerWaalsContact CG1-CE1 3.45Å; V313-F315 HydrophobicContact CG1-CZ 4.5Å; V313-F315 PolarHBondContact O-N 3.01Å; V313-F315 VanDerWaalsContact O-N 3.11Å; V313-L316 HydrophobicContact CB-CB 4.13Å; V313-L316 HydrophobicContact CB-CD1 3.95Å; V313-L316 HydrophobicContact CB-CG 3.97Å; V313-L316 HydrophobicContact CG1-CB 4.47Å; V313-L316 HydrophobicContact CG1-CD1 4.3Å; V313-L316 HydrophobicContact CG1-CG 4Å; V313-L316 HydrophobicContact CG2-CD1 4.28Å; V313-L316 WeakPolarHBondContact O-CA 3.21Å; V313-L316 WeakPolarHBondContact O-CB 3.16Å; V313-L316 PolarHBondContact O-N 2.72Å; V313-K317 PolarHBondContact O-N 3Å |
| 314 | D | 87.9 | Confident | 91.5 | Very high | 117 Ų | 117 | 85.7 Ų | 85.7 | 63% | 0.626 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -51 | -41.8 | -171.1 | -81.3 | -27.5 | 0 | 0 | 0 | 114.7 | N318 | D314-N318 PolarHBondContact O-N 2.99Å; D314-N318 VanDerWaalsContact O-N 3.16Å; D314-N318 PolarHBondContact O-ND2 2.97Å |
| 315 | F | 91 | Very high | 91.2 | Very high | 45 Ų | 45 | 90.7 Ų | 90.7 | 20% | 0.197 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -77.5 | -24.9 | -179.5 | 86.9 | -87.9 | 0 | 0 | 0 | 113.1 | L218 L222 Q225 V226 M257 V313 Y319 | L218-F315 HydrophobicContact CD1-CD2 4.46Å; L218-F315 HydrophobicContact CD1-CE2 3.84Å; L222-F315 HydrophobicContact CD2-CE2 4.29Å; L222-F315 HydrophobicContact CD2-CZ 3.84Å; L222-F315 HydrophobicContact CG-CZ 4.28Å; Q225-F315 HydrophobicContact CB-CE1 4.02Å; Q225-F315 VanDerWaalsContact OE1-CD1 3.25Å; V226-F315 HydrophobicContact CG2-CE1 4.05Å; V226-F315 HydrophobicContact CG2-CZ 3.99Å; M257-F315 HydrophobicContact CE-CE2 4.28Å; V313-F315 VanDerWaalsContact C-N 3.31Å; V313-F315 HydrophobicContact CG1-CD1 3.48Å; V313-F315 VanDerWaalsContact CG1-CD1 3.48Å; V313-F315 HydrophobicContact CG1-CE1 3.45Å; V313-F315 VanDerWaalsContact CG1-CE1 3.45Å; V313-F315 HydrophobicContact CG1-CZ 4.5Å; V313-F315 PolarHBondContact O-N 3.01Å; V313-F315 VanDerWaalsContact O-N 3.11Å; F315-Y319 PolarHBondContact O-N 3.18Å |
| 316 | L | 93.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 85.7 Ų | 85.7 | 1% | 0.01 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -75 | -40.4 | 172.1 | -64.5 | -173.5 | 0 | 0 | 0 | 110.7 | L222 V226 L234 M257 I306 Y310 V313 N318 Y319 | L222-L316 HydrophobicContact CD2-CD2 4.49Å; V226-L316 HydrophobicContact CG2-CD1 3.92Å; V226-L316 HydrophobicContact CG2-CG 4.46Å; L234-L316 HydrophobicContact CD1-CD1 4.28Å; M257-L316 HydrophobicContact CE-CD2 3.58Å; M257-L316 HydrophobicContact SD-CD2 4.23Å; I306-L316 HydrophobicContact CD1-CD2 4.38Å; I306-L316 HydrophobicContact CG2-CB 4.12Å; Y310-L316 WeakPolarHBondContact O-CB 3.45Å; V313-L316 HydrophobicContact CB-CB 4.13Å; V313-L316 HydrophobicContact CB-CD1 3.95Å; V313-L316 HydrophobicContact CB-CG 3.97Å; V313-L316 HydrophobicContact CG1-CB 4.47Å; V313-L316 HydrophobicContact CG1-CD1 4.3Å; V313-L316 HydrophobicContact CG1-CG 4Å; V313-L316 HydrophobicContact CG2-CD1 4.28Å; V313-L316 WeakPolarHBondContact O-CA 3.21Å; V313-L316 WeakPolarHBondContact O-CB 3.16Å; V313-L316 PolarHBondContact O-N 2.72Å; L316-N318 VanDerWaalsContact C-N 3.29Å; L316-N318 PolarHBondContact O-N 2.78Å; L316-Y319 VanDerWaalsContact O-CB 3.24Å; L316-Y319 WeakPolarHBondContact O-CB 3.43Å; L316-Y319 PolarHBondContact O-N 3.44Å |
| 317 | K | 90.4 | Very high | 90.6 | Very high | 124 Ų | 124 | 87.1 Ų | 87.1 | 54% | 0.539 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -56.7 | -42.6 | 173.3 | -175.3 | 178.9 | 178.4 | 177.2 | 0 | 112.5 | Q311 V313 Y319 | Q311-K317 HydrophobicContact CB-CB 4.23Å; Q311-K317 HydrophobicContact CB-CG 4.29Å; Q311-K317 WeakPolarHBondContact O-CB 3.39Å; V313-K317 PolarHBondContact O-N 3Å; K317-Y319 VanDerWaalsContact C-N 3.33Å |
| 318 | N | 91.4 | Very high | 89.9 | Confident | 117 Ų | 117 | 87.9 Ų | 87.9 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 5.2 | -178.1 | -67 | -54.9 | 0 | 0 | 0 | 113.7 | D314 L316 K320 | D314-N318 PolarHBondContact O-N 2.99Å; D314-N318 VanDerWaalsContact O-N 3.16Å; D314-N318 PolarHBondContact O-ND2 2.97Å; L316-N318 VanDerWaalsContact C-N 3.29Å; L316-N318 PolarHBondContact O-N 2.78Å; N318-K320 PolarHBondContact O-N 3.21Å |
| 319 | Y | 92.3 | Very high | 88.9 | Confident | 52 Ų | 52 | 80 Ų | 80 | 20% | 0.204 | 38% | 0.384 | C | S | . | . | trans | -64.7 | 127 | -178.4 | 171.3 | -95.3 | 0 | 0 | 0 | 111.6 | M257 F304 I306 F315 L316 K317 Y321 | M257-Y319 HydrophobicContact CB-CE2 4.02Å; M257-Y319 HydrophobicContact CE-CD2 3.54Å; M257-Y319 HydrophobicContact CE-CE2 3.83Å; M257-Y319 HydrophobicContact CE-CG 4.11Å; M257-Y319 HydrophobicContact CG-CE2 4.43Å; M257-Y319 WeakPolarHBondContact O-CE2 3.37Å; M257-Y319 PolarHBondContact O-OH 3.2Å; F304-Y319 HydrophobicContact CD1-CE1 4.38Å; I306-Y319 HydrophobicContact CD1-CD1 4.04Å; I306-Y319 HydrophobicContact CD1-CG 4.39Å; I306-Y319 HydrophobicContact CG1-CD1 3.66Å; I306-Y319 HydrophobicContact CG1-CE1 4.43Å; I306-Y319 HydrophobicContact CG1-CG 4.14Å; F315-Y319 PolarHBondContact O-N 3.18Å; L316-Y319 VanDerWaalsContact O-CB 3.24Å; L316-Y319 WeakPolarHBondContact O-CB 3.43Å; L316-Y319 PolarHBondContact O-N 3.44Å; K317-Y319 VanDerWaalsContact C-N 3.33Å; Y319-Y321 WeakPolarHBondContact OH-CD2 3.27Å | ||
| 320 | K | 90.6 | Very high | 87.5 | Confident | 181 Ų | 181 | 77.5 Ų | 77.5 | 79% | 0.787 | 38% | 0.379 | S | S | * | . | trans | -123.4 | 121.3 | 171.6 | -67.6 | -176.8 | -178.5 | 178.2 | 0 | 109.6 | N318 V322 | N318-K320 PolarHBondContact O-N 3.21Å; K320-V322 PolarHBondContact O-N 3.35Å | ||
| 321 | Y | 91.8 | Very high | 85.9 | Confident | 52 Ų | 52 | 81.1 Ų | 81.1 | 20% | 0.204 | 40% | 0.401 | C | S | . | . | trans | -66.7 | 126.7 | 176.7 | 176.2 | -104.7 | 0 | 0 | 0 | 111.1 | F259 G260 K303 Y319 K323 | F259-Y321 PolarHBondContact O-OH 3.46Å; G260-Y321 VanDerWaalsContact CA-CE2 3.49Å; K303-Y321 HydrophobicContact CB-CD1 4.03Å; K303-Y321 HydrophobicContact CB-CE1 4.46Å; K303-Y321 HydrophobicContact CB-CG 4.38Å; K303-Y321 HydrophobicContact CD-CD1 4.24Å; K303-Y321 HydrophobicContact CG-CD1 3.65Å; K303-Y321 HydrophobicContact CG-CE1 3.93Å; K303-Y321 HydrophobicContact CG-CG 4.46Å; Y319-Y321 WeakPolarHBondContact OH-CD2 3.27Å; Y321-K323 HydrophobicContact CE1-CB 4.12Å | ||
| 322 | V | 91.7 | Very high | 84.2 | Confident | 75 Ų | 75 | 77.8 Ų | 77.8 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | trans | -116.7 | 123.4 | 171.3 | 177.8 | 0 | 0 | 0 | 0 | 107.2 | K320 R324 | K320-V322 PolarHBondContact O-N 3.35Å; V322-R324 PolarHBondContact O-N 3.11Å; V322-R324 PolarHBondContact O-NH1 3.18Å | ||
| 323 | K | 90.7 | Very high | 82.6 | Confident | 185 Ų | 185 | 72.7 Ų | 72.7 | 80% | 0.804 | 36% | 0.36 | S | S | * | . | trans | -62.9 | 121.3 | -179.3 | -170.8 | 178.6 | -177.9 | -178.9 | 0 | 109.5 | Y321 | Y321-K323 HydrophobicContact CE1-CB 4.12Š| ||
| 324 | R | 91.3 | Very high | 80.6 | Confident | 100 Ų | 100 | 75.6 Ų | 75.6 | 38% | 0.377 | 38% | 0.381 | S | S | . | . | trans | -133.3 | 149.2 | 177.8 | -66.1 | 179.7 | -173.8 | 92 | -0.7 | 109.5 | I258 F259 V322 | I258-R324 PolarHBondContact O-NH1 3.02Å; F259-R324 HydrophobicContact CD1-CB 3.93Å; F259-R324 HydrophobicContact CE1-CB 4.22Å; V322-R324 PolarHBondContact O-N 3.11Å; V322-R324 PolarHBondContact O-NH1 3.18Å | ||
| 325 | T | 88.3 | Confident | 78.8 | Confident | 110 Ų | 110 | 72.1 Ų | 72.1 | 68% | 0.675 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -93.9 | 134.6 | 172.5 | -56.8 | 0 | 0 | 0 | 0 | 109.2 | L327 | T325-L327 PolarHBondContact O-N 2.87Š|
| 326 | R | 89.5 | Confident | 76.6 | Confident | 26 Ų | 26 | 73.4 Ų | 73.4 | 10% | 0.098 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 119.8 | 174.3 | -177.8 | 71.3 | -173.8 | 173.7 | -3.1 | 109.4 | Q211 L215 D255 F259 F280 F328 | Q211-R326 VanDerWaalsContact NE2-CZ 3.33Å; L215-R326 VanDerWaalsContact CD1-CZ 3.41Å; L215-R326 VanDerWaalsContact CG-NH1 3.32Å; D255-R326 IonicContact OD2-NE 2.81Å; F259-R326 HydrophobicContact CD1-CB 3.94Å; F259-R326 HydrophobicContact CE1-CB 4.17Å; F259-R326 VanDerWaalsContact CE2-CD 3.42Å; F259-R326 HydrophobicContact CG-CB 4.15Å; F259-R326 VanDerWaalsContact CZ-CD 3.47Å; F280-R326 HydrophobicContact CE2-CG 4.28Å; F280-R326 HydrophobicContact CZ-CG 4.3Å; R326-F328 HydrophobicContact CB-CE2 4.13Å; R326-F328 HydrophobicContact CG-CD2 4.32Å; R326-F328 HydrophobicContact CG-CE1 4.28Å; R326-F328 HydrophobicContact CG-CE2 3.6Å; R326-F328 HydrophobicContact CG-CZ 3.63Å |
| 327 | L | 86.9 | Confident | 74.7 | Confident | 55 Ų | 55 | 77.7 Ų | 77.7 | 29% | 0.288 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 149.7 | 174.3 | -57.1 | 177.4 | 0 | 0 | 0 | 110.8 | E207 L208 Q211 T325 | E207-L327 HydrophobicContact CB-CD1 3.6Å; L208-L327 HydrophobicContact CD2-CB 3.66Å; L208-L327 HydrophobicContact CG-CB 4.44Å; Q211-L327 PolarHBondContact NE2-O 3.45Å; T325-L327 PolarHBondContact O-N 2.87Å |
| 328 | F | 79.5 | Confident | 73.4 | Confident | 20 Ų | 20 | 72.7 Ų | 72.7 | 9% | 0.088 | 38% | 0.381 | C | S | . | . | trans | -136.2 | 139.3 | -179.1 | -67.7 | -81.1 | 0 | 0 | 0 | 110.1 | Y275 G278 F280 R297 R326 | Y275-F328 HydrophobicContact CD2-CE1 4.04Å; Y275-F328 HydrophobicContact CD2-CZ 4.38Å; Y275-F328 HydrophobicContact CE2-CD1 4.31Å; Y275-F328 AromaticContact CE2-CE1 3.41Å; Y275-F328 HydrophobicContact CE2-CE1 3.41Å; Y275-F328 VanDerWaalsContact CE2-CE1 3.41Å; Y275-F328 HydrophobicContact CE2-CZ 4.14Å; G278-F328 VanDerWaalsContact CA-CD1 3.47Å; G278-F328 WeakPolarHBondContact O-CD1 3.34Å; G278-F328 VanDerWaalsContact O-CE1 3.27Å; G278-F328 WeakPolarHBondContact O-CE1 3.06Å; F280-F328 AromaticContact CD2-CZ 3.99Å; F280-F328 HydrophobicContact CD2-CZ 3.99Å; F280-F328 AromaticContact CE2-CE2 3.99Å; F280-F328 HydrophobicContact CE2-CE2 3.99Å; F280-F328 AromaticContact CE2-CZ 3.44Å; F280-F328 HydrophobicContact CE2-CZ 3.44Å; F280-F328 VanDerWaalsContact CE2-CZ 3.44Å; F280-F328 HydrophobicContact CZ-CZ 4.15Å; R297-F328 HydrophobicContact CB-CD2 4.04Å; R297-F328 HydrophobicContact CB-CE2 4.09Å; R297-F328 HydrophobicContact CG-CD2 4.21Å; R297-F328 HydrophobicContact CG-CE2 4.44Å; R297-F328 VanDerWaalsContact O-CE2 3.26Å; R297-F328 WeakPolarHBondContact O-CE2 3.5Å; R326-F328 HydrophobicContact CB-CE2 4.13Å; R326-F328 HydrophobicContact CG-CD2 4.32Å; R326-F328 HydrophobicContact CG-CE1 4.28Å; R326-F328 HydrophobicContact CG-CE2 3.6Å; R326-F328 HydrophobicContact CG-CZ 3.63Å | ||
| 329 | P | 69.6 | Low | 72.6 | Confident | 20 Ų | 20 | 68.1 Ų | 68.1 | 13% | 0.13 | 36% | 0.358 | C | S | . | . | trans | -57.3 | 142.2 | 173.5 | -21.9 | 31.9 | 0 | 0 | 0 | 111 | L208 D331 S332 | L208-P329 HydrophobicContact CD1-CB 4.32Å; L208-P329 HydrophobicContact CD1-CG 4.23Å; L208-P329 HydrophobicContact CD2-CG 4.44Å; P329-D331 PolarHBondContact O-N 3.34Å; P329-D331 VanDerWaalsContact O-N 3.17Å; P329-S332 WeakPolarHBondContact O-CB 3.48Å; P329-S332 PolarHBondContact O-N 3.01Å; P329-S332 PolarHBondContact O-OG 2.89Å | ||
| 330 | P | 63.1 | Low | 72 | Confident | 78 Ų | 78 | 65.6 Ų | 65.6 | 51% | 0.506 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -52 | -42.1 | 177.8 | -26.7 | 33.7 | 0 | 0 | 0 | 112.3 | S332 | P330-S332 VanDerWaalsContact C-N 3.28Å; P330-S332 PolarHBondContact O-N 3.47Å |
| 331 | D | 59.2 | Low | 71.2 | Confident | 114 Ų | 114 | 60.7 Ų | 60.7 | 61% | 0.61 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -77.2 | -6.6 | -175.8 | -53.5 | -24.8 | 0 | 0 | 0 | 114.3 | P329 V333 | P329-D331 PolarHBondContact O-N 3.34Å; P329-D331 VanDerWaalsContact O-N 3.17Å; D331-V333 PolarHBondContact O-N 2.88Å; D331-V333 VanDerWaalsContact O-N 3.09Å |
| 332 | S | 54.2 | Low | 70 | Confident | 13 Ų | 13 | 60.7 Ų | 60.7 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -71 | -6.4 | -166.7 | 57.8 | 0 | 0 | 0 | 0 | 115.7 | D72 R297 P329 P330 | D72-S332 VanDerWaalsContact OD2-CB 3.25Å; D72-S332 WeakPolarHBondContact OD2-CB 3.31Å; R297-S332 PolarHBondContact NH2-OG 3.23Å; P329-S332 WeakPolarHBondContact O-CB 3.48Å; P329-S332 PolarHBondContact O-N 3.01Å; P329-S332 PolarHBondContact O-OG 2.89Å; P330-S332 VanDerWaalsContact C-N 3.28Å; P330-S332 PolarHBondContact O-N 3.47Å |
| 333 | V | 53.7 | Low | 69.6 | Low | 19 Ų | 19 | 57.6 Ų | 57.6 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | trans | -156.8 | 128.6 | 172.1 | -163.8 | 0 | 0 | 0 | 0 | 110 | N277 Q279 D331 D335 | N277-V333 VanDerWaalsContact O-CG2 3.29Å; N277-V333 WeakPolarHBondContact O-CG2 3.47Å; Q279-V333 HydrophobicContact CB-CG2 4.13Å; Q279-V333 HydrophobicContact CG-CG2 3.89Å; D331-V333 PolarHBondContact O-N 2.88Å; D331-V333 VanDerWaalsContact O-N 3.09Å; V333-D335 VanDerWaalsContact C-N 3.32Å; V333-D335 HydrophobicContact CG1-CB 3.79Å; V333-D335 PolarHBondContact O-N 3.32Å | ||
| 334 | S | 46.9 | Very low | 69.3 | Low | 83 Ų | 83 | 52.8 Ų | 52.8 | 58% | 0.58 | 31% | 0.309 | S | S | * | . | trans | -89.9 | 23.6 | 174.3 | 49.3 | 0 | 0 | 0 | 0 | 114.4 | V3 | V3-S334 WeakPolarHBondContact CG2-OG 3.4Š| ||
| 335 | D | 48.9 | Very low | 69.2 | Low | 43 Ų | 43 | 48 Ų | 48 | 23% | 0.23 | 29% | 0.291 | C | S | . | . | trans | -100.1 | 38.6 | -178.7 | -78.1 | -42.6 | 0 | 0 | 0 | 112.5 | V333 T337 | V333-D335 VanDerWaalsContact C-N 3.32Å; V333-D335 HydrophobicContact CG1-CB 3.79Å; V333-D335 PolarHBondContact O-N 3.32Å; D335-T337 VanDerWaalsContact C-N 3.31Å; D335-T337 PolarHBondContact O-N 3.3Å; D335-T337 VanDerWaalsContact O-N 3.07Å | ||
| 336 | I | 46.3 | Very low | 69.3 | Low | 72 Ų | 72 | 43.4 Ų | 43.4 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | trans | -76.1 | 94.4 | 159.2 | -56.9 | -180 | 0 | 0 | 0 | 106.1 | G338 T341 N367 G369 | I336-G338 PolarHBondContact O-N 3.36Å; I336-T341 PolarHBondContact O-OG1 3.03Å; I336-N367 WeakPolarHBondContact CG2-O 3.27Å; I336-G369 WeakPolarHBondContact O-CA 3.48Å | ||
| 337 | T | 52.2 | Low | 69.4 | Low | 92 Ų | 92 | 42.3 Ų | 42.3 | 56% | 0.564 | 26% | 0.257 | S | S | * | . | trans | -68.3 | 112.6 | 164.8 | 45.8 | 0 | 0 | 0 | 0 | 107.9 | D335 | D335-T337 VanDerWaalsContact C-N 3.31Å; D335-T337 PolarHBondContact O-N 3.3Å; D335-T337 VanDerWaalsContact O-N 3.07Å | ||
| 338 | G | 63.3 | Low | 69.6 | Low | 19 Ų | 19 | 39.8 Ų | 39.8 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | trans | -144.3 | 176.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | I336 L340 T341 L368 | I336-G338 PolarHBondContact O-N 3.36Å; G338-L340 PolarHBondContact O-N 2.96Å; G338-T341 PolarHBondContact N-OG1 2.97Å; G338-T341 WeakPolarHBondContact O-CB 3.5Å; G338-T341 PolarHBondContact O-N 3.48Å; G338-T341 PolarHBondContact O-OG1 3.45Å; G338-L368 CarbonylContact C-O 3.39Å; G338-L368 WeakPolarHBondContact CA-O 3.31Å | ||
| 339 | P | 74 | Confident | 69.8 | Low | 21 Ų | 21 | 43.2 Ų | 43.2 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -13.1 | -173.9 | 26.7 | -34.9 | 0 | 0 | 0 | 113.6 | L368 F427 L437 I441 | P339-L368 WeakPolarHBondContact CD-O 3.4Å; P339-L368 HydrophobicContact CG-CB 4.47Å; P339-L368 HydrophobicContact CG-CD2 4.1Å; P339-F427 HydrophobicContact CB-CD1 4Å; P339-F427 HydrophobicContact CB-CE1 3.79Å; P339-F427 HydrophobicContact CG-CD1 3.48Å; P339-F427 VanDerWaalsContact CG-CD1 3.48Å; P339-F427 HydrophobicContact CG-CE1 3.78Å; P339-L437 HydrophobicContact CB-CD2 3.93Å; P339-L437 HydrophobicContact CG-CD2 4.26Å; P339-I441 WeakPolarHBondContact O-CD1 3.45Å |
| 340 | L | 80.6 | Confident | 70.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 9.4 | 177 | -54.5 | -176 | 0 | 0 | 0 | 113.9 | G338 G342 L343 F345 F365 L368 G369 F423 F427 | G338-L340 PolarHBondContact O-N 2.96Å; L340-G342 PolarHBondContact O-N 2.93Å; L340-L343 HydrophobicContact CB-CD1 4.15Å; L340-L343 HydrophobicContact CD2-CD1 3.81Å; L340-L343 WeakPolarHBondContact O-CB 3.45Å; L340-L343 WeakPolarHBondContact O-CG 3.43Å; L340-L343 PolarHBondContact O-N 2.85Å; L340-L343 VanDerWaalsContact O-N 3.1Å; L340-F345 HydrophobicContact CB-CE2 4.08Å; L340-F345 HydrophobicContact CB-CZ 4.43Å; L340-F345 HydrophobicContact CD1-CE2 4.04Å; L340-F345 HydrophobicContact CD1-CZ 4.01Å; L340-F345 HydrophobicContact CD2-CZ 4.43Å; L340-F365 HydrophobicContact CD1-CD1 3.65Å; L340-F365 HydrophobicContact CD1-CE1 4.11Å; L340-L368 WeakPolarHBondContact CA-O 3.29Å; L340-L368 HydrophobicContact CB-CB 4.32Å; L340-L368 WeakPolarHBondContact CB-O 3.38Å; L340-L368 HydrophobicContact CD1-CB 3.68Å; L340-L368 HydrophobicContact CD1-CD1 3.93Å; L340-L368 HydrophobicContact CD1-CG 4.49Å; L340-L368 HydrophobicContact CG-CB 3.81Å; L340-L368 PolarHBondContact N-O 2.97Å; L340-G369 CarbonylContact C-O 3.58Å; L340-F423 HydrophobicContact CD1-CE1 3.97Å; L340-F423 HydrophobicContact CD2-CE1 3.59Å; L340-F423 HydrophobicContact CD2-CZ 3.64Å; L340-F423 HydrophobicContact CG-CE1 4.47Å; L340-F427 HydrophobicContact CD2-CE1 3.8Å; L340-F427 HydrophobicContact CD2-CE2 4.12Å; L340-F427 HydrophobicContact CD2-CZ 3.51Å; L340-F427 HydrophobicContact CG-CE1 4.44Å; L340-F427 HydrophobicContact CG-CZ 4.47Å |
| 341 | T | 73.7 | Confident | 71.3 | Confident | 77 Ų | 77 | 43.6 Ų | 43.6 | 47% | 0.472 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 133 | 177 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | I336 G338 L343 G369 | I336-T341 PolarHBondContact O-OG1 3.03Å; G338-T341 PolarHBondContact N-OG1 2.97Å; G338-T341 WeakPolarHBondContact O-CB 3.5Å; G338-T341 PolarHBondContact O-N 3.48Å; G338-T341 PolarHBondContact O-OG1 3.45Å; T341-L343 VanDerWaalsContact C-N 3.35Å; T341-G369 VanDerWaalsContact CA-O 3.29Å; T341-G369 WeakPolarHBondContact CA-O 3.38Å; T341-G369 PolarHBondContact N-O 3.28Å |
| 342 | G | 67.1 | Low | 72.6 | Confident | 53 Ų | 53 | 38.7 Ų | 38.7 | 55% | 0.546 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 2.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L340 | L340-G342 PolarHBondContact O-N 2.93Š|
| 343 | L | 81.6 | Confident | 73.9 | Confident | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | trans | -103 | 135.4 | 172.4 | -42.9 | -179.9 | 0 | 0 | 0 | 110.1 | L340 T341 F345 A371 I381 I441 R458 | L340-L343 HydrophobicContact CB-CD1 4.15Å; L340-L343 HydrophobicContact CD2-CD1 3.81Å; L340-L343 WeakPolarHBondContact O-CB 3.45Å; L340-L343 WeakPolarHBondContact O-CG 3.43Å; L340-L343 PolarHBondContact O-N 2.85Å; L340-L343 VanDerWaalsContact O-N 3.1Å; T341-L343 VanDerWaalsContact C-N 3.35Å; L343-F345 HydrophobicContact CB-CD2 4.4Å; L343-F345 HydrophobicContact CB-CE2 3.54Å; L343-F345 HydrophobicContact CB-CZ 3.74Å; L343-F345 HydrophobicContact CD1-CE2 4.3Å; L343-F345 HydrophobicContact CD1-CZ 3.85Å; L343-F345 HydrophobicContact CG-CZ 4.47Å; L343-A371 PolarHBondContact O-N 3.29Å; L343-I381 HydrophobicContact CB-CD1 4.39Å; L343-I441 HydrophobicContact CD1-CG2 3.9Å; L343-R458 VanDerWaalsContact CD2-CZ 3.43Å | ||
| 344 | F | 84.3 | Confident | 75.4 | Confident | 83 Ų | 83 | 45.7 Ų | 45.7 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.6 | 178.7 | -58.1 | -92.3 | 0 | 0 | 0 | 109.7 | A371 M373 N379 I381 | F344-A371 CarbonylContact C-O 3.56Å; F344-A371 WeakPolarHBondContact CA-O 3.46Å; F344-A371 HydrophobicContact CD1-CB 3.67Å; F344-A371 HydrophobicContact CE1-CB 4.05Å; F344-A371 HydrophobicContact CG-CB 4.38Å; F344-M373 HydrophobicContact CB-CG 3.96Å; F344-M373 HydrophobicContact CB-SD 4.29Å; F344-M373 HydrophobicContact CD1-SD 3.79Å; F344-M373 HydrophobicContact CG-SD 4.47Å; F344-N379 HydrophobicContact CD2-CB 4.4Å; F344-I381 PolarHBondContact O-N 2.88Å |
| 345 | F | 90.1 | Very high | 77.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 134.2 | -175.8 | -63.8 | -84.4 | 0 | 0 | 0 | 111.4 | L340 L343 F365 A371 I372 M373 I381 V383 I419 F423 | L340-F345 HydrophobicContact CB-CE2 4.08Å; L340-F345 HydrophobicContact CB-CZ 4.43Å; L340-F345 HydrophobicContact CD1-CE2 4.04Å; L340-F345 HydrophobicContact CD1-CZ 4.01Å; L340-F345 HydrophobicContact CD2-CZ 4.43Å; L343-F345 HydrophobicContact CB-CD2 4.4Å; L343-F345 HydrophobicContact CB-CE2 3.54Å; L343-F345 HydrophobicContact CB-CZ 3.74Å; L343-F345 HydrophobicContact CD1-CE2 4.3Å; L343-F345 HydrophobicContact CD1-CZ 3.85Å; L343-F345 HydrophobicContact CG-CZ 4.47Å; F345-F365 HydrophobicContact CB-CD1 4.48Å; F345-F365 AromaticContact CD1-CD1 3.68Å; F345-F365 HydrophobicContact CD1-CD1 3.68Å; F345-F365 AromaticContact CD1-CE1 3.52Å; F345-F365 HydrophobicContact CD1-CE1 3.52Å; F345-F365 HydrophobicContact CD1-CZ 4.33Å; F345-F365 AromaticContact CD2-CD1 3.72Å; F345-F365 HydrophobicContact CD2-CD1 3.72Å; F345-F365 HydrophobicContact CD2-CE1 4.37Å; F345-F365 HydrophobicContact CD2-CG 4.47Å; F345-F365 AromaticContact CE1-CD1 3.71Å; F345-F365 HydrophobicContact CE1-CD1 3.71Å; F345-F365 AromaticContact CE1-CE1 3.35Å; F345-F365 HydrophobicContact CE1-CE1 3.35Å; F345-F365 HydrophobicContact CE1-CZ 4.38Å; F345-F365 AromaticContact CE2-CD1 3.72Å; F345-F365 HydrophobicContact CE2-CD1 3.72Å; F345-F365 HydrophobicContact CE2-CE1 4.22Å; F345-F365 AromaticContact CG-CD1 3.69Å; F345-F365 HydrophobicContact CG-CD1 3.69Å; F345-F365 HydrophobicContact CG-CE1 4.03Å; F345-F365 HydrophobicContact CG-CG 4.37Å; F345-F365 AromaticContact CZ-CD1 3.72Å; F345-F365 HydrophobicContact CZ-CD1 3.72Å; F345-F365 AromaticContact CZ-CE1 3.72Å; F345-F365 HydrophobicContact CZ-CE1 3.72Å; F345-A371 PolarHBondContact N-O 2.97Å; F345-I372 HydrophobicContact CB-CD1 4.2Å; F345-M373 WeakPolarHBondContact O-CB 3.44Å; F345-M373 PolarHBondContact O-N 3.3Å; F345-I381 CarbonylContact C-O 3.6Å; F345-I381 VanDerWaalsContact CA-O 3.26Å; F345-I381 WeakPolarHBondContact CA-O 3.41Å; F345-I381 HydrophobicContact CD1-CB 3.96Å; F345-I381 HydrophobicContact CD1-CG2 4.04Å; F345-I381 HydrophobicContact CE1-CB 4.12Å; F345-I381 HydrophobicContact CE1-CD1 4.12Å; F345-I381 HydrophobicContact CE1-CG2 4.03Å; F345-I381 HydrophobicContact CZ-CD1 4.46Å; F345-V383 HydrophobicContact CD1-CG2 3.93Å; F345-I419 HydrophobicContact CE1-CD1 4.1Å; F345-F423 HydrophobicContact CE1-CE1 4.47Å; F345-F423 HydrophobicContact CZ-CE1 4.36Å |
| 346 | Y | 91 | Very high | 78.9 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 121.8 | 166.6 | -179.8 | -84.7 | 0 | 0 | 0 | 108.3 | M373 L376 I381 V382 V383 A407 | Y346-M373 WeakPolarHBondContact CD2-O 3.41Å; Y346-L376 HydrophobicContact CD1-CD1 3.38Å; Y346-L376 HydrophobicContact CD1-CG 4.2Å; Y346-L376 HydrophobicContact CD2-CD1 4.04Å; Y346-L376 HydrophobicContact CD2-CG 4.31Å; Y346-L376 HydrophobicContact CE1-CD1 3.51Å; Y346-L376 HydrophobicContact CE2-CD1 4.13Å; Y346-L376 HydrophobicContact CG-CD1 3.66Å; Y346-L376 HydrophobicContact CG-CG 4Å; Y346-I381 PolarHBondContact N-O 3.33Å; Y346-V382 HydrophobicContact CD1-CG1 4.27Å; Y346-V382 CarbonylContact O-C 3.59Å; Y346-V382 VanDerWaalsContact O-CA 3.27Å; Y346-V382 WeakPolarHBondContact O-CA 3.32Å; Y346-V383 PolarHBondContact O-N 3.04Å; Y346-A407 HydrophobicContact CE1-CB 3.65Å |
| 347 | I | 91.5 | Very high | 80.8 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.6 | -175.2 | -50.6 | -170.3 | 0 | 0 | 0 | 108.8 | F352 K358 L361 I362 F365 I372 V383 | I347-F352 HydrophobicContact CG2-CE1 4.33Å; I347-F352 HydrophobicContact CG2-CE2 4.24Å; I347-F352 HydrophobicContact CG2-CZ 3.6Å; I347-K358 HydrophobicContact CB-CG 4.4Å; I347-K358 HydrophobicContact CG2-CG 4.11Å; I347-K358 WeakPolarHBondContact O-CE 3.23Å; I347-K358 PolarHBondContact O-NZ 3.29Å; I347-L361 HydrophobicContact CD1-CB 3.86Å; I347-L361 HydrophobicContact CG2-CB 4.11Å; I347-L361 HydrophobicContact CG2-CD1 4.09Å; I347-I362 HydrophobicContact CB-CG1 4.46Å; I347-I362 HydrophobicContact CD1-CB 4.47Å; I347-I362 HydrophobicContact CD1-CG1 3.83Å; I347-I362 HydrophobicContact CG1-CG1 4.4Å; I347-F365 HydrophobicContact CD1-CD2 3.71Å; I347-F365 HydrophobicContact CD1-CE2 4.28Å; I347-F365 HydrophobicContact CD1-CG 4.36Å; I347-I372 HydrophobicContact CD1-CD1 4.35Å; I347-V383 HydrophobicContact CB-CB 4.43Å; I347-V383 HydrophobicContact CG1-CB 4.09Å; I347-V383 HydrophobicContact CG1-CG2 4.15Å; I347-V383 HydrophobicContact CG2-CB 4.29Å |
| 348 | T | 90.6 | Very high | 82.4 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | trans | -69 | 179.6 | 175.5 | 60.2 | 0 | 0 | 0 | 0 | 111 | G350 F352 K358 V382 V383 S384 E388 L408 | T348-G350 VanDerWaalsContact C-N 3.31Å; T348-F352 VanDerWaalsContact O-CZ 3.3Å; T348-F352 WeakPolarHBondContact O-CZ 3.35Å; T348-K358 WeakPolarHBondContact O-CD 3.38Å; T348-K358 WeakPolarHBondContact O-CG 3.13Å; T348-V382 HydrophobicContact CG2-CG1 4.06Å; T348-V383 PolarHBondContact N-O 3.16Å; T348-V383 PolarHBondContact OG1-O 2.78Å; T348-S384 WeakPolarHBondContact OG1-CA 3.48Å; T348-E388 WeakPolarHBondContact CB-OE2 3.14Å; T348-E388 PolarHBondContact OG1-OE2 2.87Å; T348-L408 HydrophobicContact CG2-CD1 4.49Å; T348-L408 HydrophobicContact CG2-CD2 4.23Å; T348-L408 HydrophobicContact CG2-CG 4.23Å | ||
| 349 | N | 84.3 | Confident | 83.3 | Confident | 92 Ų | 92 | 47.4 Ų | 47.4 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | trans | -84.5 | -8.8 | -179.5 | -67.2 | -14.2 | 0 | 0 | 0 | 112.5 | K358 | N349-K358 WeakPolarHBondContact OD1-CD 3.35Å; N349-K358 PolarHBondContact OD1-NZ 3.33Å | ||
| 350 | G | 80 | Confident | 83.8 | Confident | 12 Ų | 12 | 50 Ų | 50 | 12% | 0.124 | 30% | 0.298 | C | S | . | . | trans | 82 | -161.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T348 E388 | T348-G350 VanDerWaalsContact C-N 3.31Å; G350-E388 WeakPolarHBondContact CA-OE2 3.42Å; G350-E388 PolarHBondContact N-OE2 3.23Å; G350-E388 VanDerWaalsContact O-CD 3.25Å | ||
| 351 | P | 83.1 | Confident | 84.1 | Confident | 95 Ų | 95 | 50 Ų | 50 | 62% | 0.617 | 30% | 0.298 | S | S | * | . | cis | -69.6 | 146.9 | 13.5 | 28.5 | -35.3 | 0 | 0 | 0 | 112.8 | T385 | P351-T385 WeakPolarHBondContact O-CG2 3.26Å; P351-T385 PolarHBondContact O-OG1 3.49Å | ||
| 352 | F | 86.7 | Confident | 84.6 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | trans | -101 | 141.2 | 176.6 | -64.6 | -75.8 | 0 | 0 | 0 | 110.8 | I347 T348 S354 G355 K356 K358 L361 V383 T385 E421 | I347-F352 HydrophobicContact CG2-CE1 4.33Å; I347-F352 HydrophobicContact CG2-CE2 4.24Å; I347-F352 HydrophobicContact CG2-CZ 3.6Å; T348-F352 VanDerWaalsContact O-CZ 3.3Å; T348-F352 WeakPolarHBondContact O-CZ 3.35Å; F352-S354 PolarHBondContact O-N 2.91Å; F352-S354 VanDerWaalsContact O-N 3.13Å; F352-G355 PolarHBondContact O-N 3.18Å; F352-K356 WeakPolarHBondContact CD2-O 3.31Å; F352-K358 HydrophobicContact CE2-CB 4.42Å; F352-L361 HydrophobicContact CB-CD1 4.35Å; F352-L361 HydrophobicContact CD1-CD1 3.55Å; F352-L361 HydrophobicContact CD2-CD1 3.56Å; F352-L361 HydrophobicContact CE1-CD1 3.6Å; F352-L361 HydrophobicContact CE2-CD1 3.62Å; F352-L361 HydrophobicContact CG-CD1 3.54Å; F352-L361 HydrophobicContact CZ-CD1 3.64Å; F352-V383 HydrophobicContact CE1-CG1 4.4Å; F352-T385 HydrophobicContact CB-CG2 4.46Å; F352-T385 HydrophobicContact CD1-CG2 3.89Å; F352-T385 HydrophobicContact CG-CG2 4.49Å; F352-E421 WeakPolarHBondContact CB-OE2 3.5Å | ||
| 353 | D | 82.8 | Confident | 85.3 | Confident | 115 Ų | 115 | 53 Ų | 53 | 62% | 0.615 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26.9 | -172.2 | -60.2 | -27.6 | 0 | 0 | 0 | 113.6 | G355 E421 | D353-G355 VanDerWaalsContact C-N 3.28Å; D353-G355 PolarHBondContact O-N 3.14Å; D353-E421 PolarHBondContact N-OE1 3.17Å |
| 354 | S | 83.7 | Confident | 85.5 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 45% | 0.448 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -7.7 | 178.1 | 71.9 | 0 | 0 | 0 | 0 | 113.7 | F352 K356 E421 | F352-S354 PolarHBondContact O-N 2.91Å; F352-S354 VanDerWaalsContact O-N 3.13Å; S354-K356 PolarHBondContact O-N 3.46Å; S354-K356 VanDerWaalsContact OG-CB 3.31Å; S354-K356 WeakPolarHBondContact OG-CB 3.27Å; S354-K356 WeakPolarHBondContact OG-CD 3.43Å; S354-K356 WeakPolarHBondContact OG-CG 3.26Å; S354-K356 PolarHBondContact OG-N 3.11Å; S354-E421 WeakPolarHBondContact CA-OE1 3.44Å; S354-E421 WeakPolarHBondContact CB-OE1 3.5Å; S354-E421 PolarHBondContact N-OE1 3.07Å; S354-E421 PolarHBondContact OG-OE1 3.29Å; S354-E421 PolarHBondContact OG-OE2 3.47Å |
| 355 | G | 84.2 | Confident | 85.5 | Confident | 67 Ų | 67 | 51.6 Ų | 51.6 | 69% | 0.691 | 28% | 0.281 | S | S | * | . | trans | 73.1 | 5.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F352 D353 | F352-G355 PolarHBondContact O-N 3.18Å; D353-G355 VanDerWaalsContact C-N 3.28Å; D353-G355 PolarHBondContact O-N 3.14Å | ||
| 356 | K | 85.7 | Confident | 84.8 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 27% | 0.274 | 29% | 0.294 | S | S | . | . | trans | -69.9 | 143.7 | 175.9 | -71.4 | 175 | -172.1 | -177.9 | 0 | 111.3 | F352 S354 Q360 L361 E364 | F352-K356 WeakPolarHBondContact CD2-O 3.31Å; S354-K356 PolarHBondContact O-N 3.46Å; S354-K356 VanDerWaalsContact OG-CB 3.31Å; S354-K356 WeakPolarHBondContact OG-CB 3.27Å; S354-K356 WeakPolarHBondContact OG-CD 3.43Å; S354-K356 WeakPolarHBondContact OG-CG 3.26Å; S354-K356 PolarHBondContact OG-N 3.11Å; K356-Q360 HydrophobicContact CB-CB 4.2Å; K356-Q360 HydrophobicContact CG-CB 4.49Å; K356-L361 HydrophobicContact CB-CD2 4.32Å; K356-L361 HydrophobicContact CB-CG 4.2Å; K356-L361 HydrophobicContact CD-CD2 3.85Å; K356-E364 WeakPolarHBondContact CD-OE1 3.48Å; K356-E364 WeakPolarHBondContact CE-OE1 3.39Å; K356-E364 IonicContact NZ-OE1 3.79Å; K356-E364 PolarHBondContact NZ-OE1 2.98Å; K356-E364 IonicContact NZ-OE2 3.79Å; K356-E364 PolarHBondContact NZ-OE2 3Å | ||
| 357 | T | 86.4 | Confident | 84.1 | Confident | 58 Ų | 58 | 57.7 Ų | 57.7 | 36% | 0.356 | 32% | 0.319 | S | S | . | . | trans | -78 | 159.1 | 170.1 | 81.7 | 0 | 0 | 0 | 0 | 110.6 | E359 Q360 L361 | T357-E359 VanDerWaalsContact CB-OE2 3.25Å; T357-E359 WeakPolarHBondContact CB-OE2 3.25Å; T357-E359 PolarHBondContact O-N 2.94Å; T357-E359 PolarHBondContact OG1-N 3.29Å; T357-E359 PolarHBondContact OG1-OE2 3.35Å; T357-Q360 WeakPolarHBondContact O-CB 3.22Å; T357-Q360 PolarHBondContact O-N 3.11Å; T357-Q360 PolarHBondContact OG1-N 3.34Å; T357-L361 PolarHBondContact O-N 2.89Å; T357-L361 VanDerWaalsContact O-N 3.11Å | ||
| 358 | K | 85.8 | Confident | 83.4 | Confident | 47 Ų | 47 | 59 Ų | 59 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -49.1 | -42.3 | 172.1 | 177.2 | -179.8 | -176.3 | 166.8 | 0 | 112.2 | I347 T348 N349 F352 Q360 L361 I362 | I347-K358 HydrophobicContact CB-CG 4.4Å; I347-K358 HydrophobicContact CG2-CG 4.11Å; I347-K358 WeakPolarHBondContact O-CE 3.23Å; I347-K358 PolarHBondContact O-NZ 3.29Å; T348-K358 WeakPolarHBondContact O-CD 3.38Å; T348-K358 WeakPolarHBondContact O-CG 3.13Å; N349-K358 WeakPolarHBondContact OD1-CD 3.35Å; N349-K358 PolarHBondContact OD1-NZ 3.33Å; F352-K358 HydrophobicContact CE2-CB 4.42Å; K358-Q360 VanDerWaalsContact C-N 3.32Å; K358-Q360 PolarHBondContact O-N 3.13Å; K358-L361 PolarHBondContact O-N 2.74Å; K358-I362 HydrophobicContact CG-CD1 3.91Å; K358-I362 HydrophobicContact CG-CG1 4.34Å; K358-I362 WeakPolarHBondContact O-CB 3.36Å; K358-I362 VanDerWaalsContact O-CG1 3.26Å; K358-I362 WeakPolarHBondContact O-CG1 3.39Å; K358-I362 PolarHBondContact O-N 3.01Å |
| 359 | E | 81.6 | Confident | 82.4 | Confident | 109 Ų | 109 | 59.6 Ų | 59.6 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.6 | -28.5 | -179.4 | -58.3 | 70.8 | -150.9 | 0 | 0 | 112.9 | T357 R363 | T357-E359 VanDerWaalsContact CB-OE2 3.25Å; T357-E359 WeakPolarHBondContact CB-OE2 3.25Å; T357-E359 PolarHBondContact O-N 2.94Å; T357-E359 PolarHBondContact OG1-N 3.29Å; T357-E359 PolarHBondContact OG1-OE2 3.35Å; E359-R363 WeakPolarHBondContact O-CG 3.49Å; E359-R363 PolarHBondContact O-N 3.22Å; E359-R363 PolarHBondContact O-NE 2.66Å |
| 360 | Q | 84 | Confident | 82 | Confident | 77 Ų | 77 | 55.5 Ų | 55.5 | 36% | 0.36 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72 | -44.3 | 172.6 | -70.5 | 173.8 | -42.2 | 0 | 0 | 110.5 | K356 T357 K358 R363 E364 | K356-Q360 HydrophobicContact CB-CB 4.2Å; K356-Q360 HydrophobicContact CG-CB 4.49Å; T357-Q360 WeakPolarHBondContact O-CB 3.22Å; T357-Q360 PolarHBondContact O-N 3.11Å; T357-Q360 PolarHBondContact OG1-N 3.34Å; K358-Q360 VanDerWaalsContact C-N 3.32Å; K358-Q360 PolarHBondContact O-N 3.13Å; Q360-R363 PolarHBondContact O-N 2.79Å; Q360-E364 PolarHBondContact O-N 2.87Å |
| 361 | L | 88.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 175.9 | -68.3 | 177.7 | 0 | 0 | 0 | 112.4 | I347 F352 K356 T357 K358 R363 E364 F365 E421 L424 | I347-L361 HydrophobicContact CD1-CB 3.86Å; I347-L361 HydrophobicContact CG2-CB 4.11Å; I347-L361 HydrophobicContact CG2-CD1 4.09Å; F352-L361 HydrophobicContact CB-CD1 4.35Å; F352-L361 HydrophobicContact CD1-CD1 3.55Å; F352-L361 HydrophobicContact CD2-CD1 3.56Å; F352-L361 HydrophobicContact CE1-CD1 3.6Å; F352-L361 HydrophobicContact CE2-CD1 3.62Å; F352-L361 HydrophobicContact CG-CD1 3.54Å; F352-L361 HydrophobicContact CZ-CD1 3.64Å; K356-L361 HydrophobicContact CB-CD2 4.32Å; K356-L361 HydrophobicContact CB-CG 4.2Å; K356-L361 HydrophobicContact CD-CD2 3.85Å; T357-L361 PolarHBondContact O-N 2.89Å; T357-L361 VanDerWaalsContact O-N 3.11Å; K358-L361 PolarHBondContact O-N 2.74Å; L361-R363 PolarHBondContact O-N 2.91Å; L361-E364 PolarHBondContact O-N 2.58Å; L361-E364 VanDerWaalsContact O-N 3.1Å; L361-F365 WeakPolarHBondContact O-CD2 3.39Å; L361-F365 PolarHBondContact O-N 3.1Å; L361-E421 HydrophobicContact CD1-CB 4.16Å; L361-E421 HydrophobicContact CD2-CB 3.98Å; L361-E421 WeakPolarHBondContact CD2-OE2 3.46Å; L361-L424 HydrophobicContact CD2-CD1 3.6Å |
| 362 | I | 84.2 | Confident | 81.9 | Confident | 52 Ų | 52 | 54.8 Ų | 54.8 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -52.3 | -46.4 | 174.4 | -76.7 | 177.6 | 0 | 0 | 0 | 110.5 | I347 K358 A366 I372 | I347-I362 HydrophobicContact CB-CG1 4.46Å; I347-I362 HydrophobicContact CD1-CB 4.47Å; I347-I362 HydrophobicContact CD1-CG1 3.83Å; I347-I362 HydrophobicContact CG1-CG1 4.4Å; K358-I362 HydrophobicContact CG-CD1 3.91Å; K358-I362 HydrophobicContact CG-CG1 4.34Å; K358-I362 WeakPolarHBondContact O-CB 3.36Å; K358-I362 VanDerWaalsContact O-CG1 3.26Å; K358-I362 WeakPolarHBondContact O-CG1 3.39Å; K358-I362 PolarHBondContact O-N 3.01Å; I362-A366 WeakPolarHBondContact O-CB 3.27Å; I362-A366 PolarHBondContact O-N 3.16Å; I362-I372 HydrophobicContact CB-CG2 4.41Å; I362-I372 HydrophobicContact CD1-CG2 4.15Å; I362-I372 HydrophobicContact CG1-CG2 3.81Å; I362-I372 HydrophobicContact CG2-CG1 4.15Å; I362-I372 HydrophobicContact CG2-CG2 4.06Å |
| 363 | R | 80.4 | Confident | 81.6 | Confident | 141 Ų | 141 | 56.1 Ų | 56.1 | 53% | 0.532 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 177.5 | -78.5 | -177.4 | -74.5 | 174.4 | -5.6 | 112.6 | E359 Q360 L361 A366 N367 | E359-R363 WeakPolarHBondContact O-CG 3.49Å; E359-R363 PolarHBondContact O-N 3.22Å; E359-R363 PolarHBondContact O-NE 2.66Å; Q360-R363 PolarHBondContact O-N 2.79Å; L361-R363 PolarHBondContact O-N 2.91Å; R363-A366 PolarHBondContact O-N 3.43Å; R363-N367 VanDerWaalsContact O-CB 3.25Å; R363-N367 WeakPolarHBondContact O-CB 2.94Å; R363-N367 PolarHBondContact O-N 2.85Å; R363-N367 PolarHBondContact O-ND2 2.77Å; R363-N367 PolarHBondContact O-OD1 3.2Å |
| 364 | E | 86.3 | Confident | 81.1 | Confident | 62 Ų | 62 | 54.8 Ų | 54.8 | 29% | 0.29 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | -179.8 | -73.4 | -177.5 | -148.5 | 0 | 0 | 112.7 | K356 Q360 L361 N367 L368 L424 | K356-E364 WeakPolarHBondContact CD-OE1 3.48Å; K356-E364 WeakPolarHBondContact CE-OE1 3.39Å; K356-E364 IonicContact NZ-OE1 3.79Å; K356-E364 PolarHBondContact NZ-OE1 2.98Å; K356-E364 IonicContact NZ-OE2 3.79Å; K356-E364 PolarHBondContact NZ-OE2 3Å; Q360-E364 PolarHBondContact O-N 2.87Å; L361-E364 PolarHBondContact O-N 2.58Å; L361-E364 VanDerWaalsContact O-N 3.1Å; E364-N367 PolarHBondContact O-N 3.04Å; E364-L368 WeakPolarHBondContact O-CG 3.46Å; E364-L368 PolarHBondContact O-N 3.15Å; E364-L424 HydrophobicContact CB-CD1 3.8Å; E364-L424 HydrophobicContact CB-CD2 4.34Å; E364-L424 WeakPolarHBondContact OE2-CD1 3.31Å |
| 365 | F | 84.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 175.1 | -84.5 | -84.7 | 0 | 0 | 0 | 111.9 | L340 F345 I347 L361 L368 G369 G370 I372 V383 I419 F423 L424 | L340-F365 HydrophobicContact CD1-CD1 3.65Å; L340-F365 HydrophobicContact CD1-CE1 4.11Å; F345-F365 HydrophobicContact CB-CD1 4.48Å; F345-F365 AromaticContact CD1-CD1 3.68Å; F345-F365 HydrophobicContact CD1-CD1 3.68Å; F345-F365 AromaticContact CD1-CE1 3.52Å; F345-F365 HydrophobicContact CD1-CE1 3.52Å; F345-F365 HydrophobicContact CD1-CZ 4.33Å; F345-F365 AromaticContact CD2-CD1 3.72Å; F345-F365 HydrophobicContact CD2-CD1 3.72Å; F345-F365 HydrophobicContact CD2-CE1 4.37Å; F345-F365 HydrophobicContact CD2-CG 4.47Å; F345-F365 AromaticContact CE1-CD1 3.71Å; F345-F365 HydrophobicContact CE1-CD1 3.71Å; F345-F365 AromaticContact CE1-CE1 3.35Å; F345-F365 HydrophobicContact CE1-CE1 3.35Å; F345-F365 HydrophobicContact CE1-CZ 4.38Å; F345-F365 AromaticContact CE2-CD1 3.72Å; F345-F365 HydrophobicContact CE2-CD1 3.72Å; F345-F365 HydrophobicContact CE2-CE1 4.22Å; F345-F365 AromaticContact CG-CD1 3.69Å; F345-F365 HydrophobicContact CG-CD1 3.69Å; F345-F365 HydrophobicContact CG-CE1 4.03Å; F345-F365 HydrophobicContact CG-CG 4.37Å; F345-F365 AromaticContact CZ-CD1 3.72Å; F345-F365 HydrophobicContact CZ-CD1 3.72Å; F345-F365 AromaticContact CZ-CE1 3.72Å; F345-F365 HydrophobicContact CZ-CE1 3.72Å; I347-F365 HydrophobicContact CD1-CD2 3.71Å; I347-F365 HydrophobicContact CD1-CE2 4.28Å; I347-F365 HydrophobicContact CD1-CG 4.36Å; L361-F365 WeakPolarHBondContact O-CD2 3.39Å; L361-F365 PolarHBondContact O-N 3.1Å; F365-L368 PolarHBondContact O-N 2.98Å; F365-G369 PolarHBondContact O-N 3.02Å; F365-G370 WeakPolarHBondContact O-CA 3.47Å; F365-G370 PolarHBondContact O-N 3.33Å; F365-I372 HydrophobicContact CB-CD1 3.55Å; F365-V383 HydrophobicContact CE1-CG2 4.16Å; F365-V383 HydrophobicContact CE2-CB 4.47Å; F365-V383 HydrophobicContact CE2-CG1 4.01Å; F365-V383 HydrophobicContact CE2-CG2 3.8Å; F365-V383 HydrophobicContact CZ-CG1 4.21Å; F365-V383 HydrophobicContact CZ-CG2 3.57Å; F365-I419 HydrophobicContact CZ-CD1 4.46Å; F365-F423 AromaticContact CE1-CD1 3.71Å; F365-F423 HydrophobicContact CE1-CD1 3.71Å; F365-F423 AromaticContact CE1-CE1 3.95Å; F365-F423 HydrophobicContact CE1-CE1 3.95Å; F365-F423 AromaticContact CZ-CD1 3.97Å; F365-F423 HydrophobicContact CZ-CD1 3.97Å; F365-L424 HydrophobicContact CD1-CD2 4.09Å; F365-L424 HydrophobicContact CD2-CD1 3.8Å; F365-L424 HydrophobicContact CD2-CD2 3.93Å; F365-L424 HydrophobicContact CD2-CG 4.15Å; F365-L424 HydrophobicContact CE1-CD2 4.03Å; F365-L424 HydrophobicContact CE1-CG 4.43Å; F365-L424 HydrophobicContact CE2-CD1 3.51Å; F365-L424 HydrophobicContact CE2-CD2 3.87Å; F365-L424 HydrophobicContact CE2-CG 3.68Å; F365-L424 HydrophobicContact CG-CD2 4.03Å; F365-L424 HydrophobicContact CZ-CD1 4.2Å; F365-L424 HydrophobicContact CZ-CD2 3.92Å; F365-L424 HydrophobicContact CZ-CG 3.83Å |
| 366 | A | 74.7 | Confident | 80.4 | Confident | 32 Ų | 32 | 53.6 Ų | 53.6 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I362 R363 L368 G369 I372 | I362-A366 WeakPolarHBondContact O-CB 3.27Å; I362-A366 PolarHBondContact O-N 3.16Å; R363-A366 PolarHBondContact O-N 3.43Å; A366-L368 PolarHBondContact O-N 3.49Å; A366-G369 WeakPolarHBondContact O-CA 3.44Å; A366-G369 PolarHBondContact O-N 3.12Å; A366-I372 HydrophobicContact CB-CG1 4.18Å |
| 367 | N | 77 | Confident | 79.9 | Confident | 109 Ų | 109 | 52.2 Ų | 52.2 | 58% | 0.583 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.3 | -22.5 | 176.5 | -74.2 | -15.3 | 0 | 0 | 0 | 113.4 | I336 R363 E364 | I336-N367 WeakPolarHBondContact CG2-O 3.27Å; R363-N367 VanDerWaalsContact O-CB 3.25Å; R363-N367 WeakPolarHBondContact O-CB 2.94Å; R363-N367 PolarHBondContact O-N 2.85Å; R363-N367 PolarHBondContact O-ND2 2.77Å; R363-N367 PolarHBondContact O-OD1 3.2Å; E364-N367 PolarHBondContact O-N 3.04Å |
| 368 | L | 78.1 | Confident | 79.4 | Confident | 31 Ų | 31 | 54 Ų | 54 | 16% | 0.162 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 6.4 | 172.9 | -65.6 | 172.6 | 0 | 0 | 0 | 112.8 | G338 P339 L340 E364 F365 A366 L424 F427 | G338-L368 CarbonylContact C-O 3.39Å; G338-L368 WeakPolarHBondContact CA-O 3.31Å; P339-L368 WeakPolarHBondContact CD-O 3.4Å; P339-L368 HydrophobicContact CG-CB 4.47Å; P339-L368 HydrophobicContact CG-CD2 4.1Å; L340-L368 WeakPolarHBondContact CA-O 3.29Å; L340-L368 HydrophobicContact CB-CB 4.32Å; L340-L368 WeakPolarHBondContact CB-O 3.38Å; L340-L368 HydrophobicContact CD1-CB 3.68Å; L340-L368 HydrophobicContact CD1-CD1 3.93Å; L340-L368 HydrophobicContact CD1-CG 4.49Å; L340-L368 HydrophobicContact CG-CB 3.81Å; L340-L368 PolarHBondContact N-O 2.97Å; E364-L368 WeakPolarHBondContact O-CG 3.46Å; E364-L368 PolarHBondContact O-N 3.15Å; F365-L368 PolarHBondContact O-N 2.98Å; A366-L368 PolarHBondContact O-N 3.49Å; L368-L424 HydrophobicContact CD1-CD2 3.57Å; L368-F427 HydrophobicContact CD1-CB 3.62Å; L368-F427 HydrophobicContact CD1-CD1 4.32Å; L368-F427 HydrophobicContact CD1-CD2 4.14Å; L368-F427 HydrophobicContact CD1-CG 3.76Å; L368-F427 HydrophobicContact CD2-CB 3.89Å; L368-F427 HydrophobicContact CD2-CG 4.42Å; L368-F427 HydrophobicContact CG-CB 4.43Å |
| 369 | G | 68.2 | Low | 78.9 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 7.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | I336 L340 T341 F365 A366 | I336-G369 WeakPolarHBondContact O-CA 3.48Å; L340-G369 CarbonylContact C-O 3.58Å; T341-G369 VanDerWaalsContact CA-O 3.29Å; T341-G369 WeakPolarHBondContact CA-O 3.38Å; T341-G369 PolarHBondContact N-O 3.28Å; F365-G369 PolarHBondContact O-N 3.02Å; A366-G369 WeakPolarHBondContact O-CA 3.44Å; A366-G369 PolarHBondContact O-N 3.12Å |
| 370 | G | 77.2 | Confident | 79 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 6% | 0.062 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 135.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F365 | F365-G370 WeakPolarHBondContact O-CA 3.47Å; F365-G370 PolarHBondContact O-N 3.33Å |
| 371 | A | 75 | Confident | 79.4 | Confident | 40 Ų | 40 | 47 Ų | 47 | 33% | 0.331 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 119 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L343 F344 F345 | L343-A371 PolarHBondContact O-N 3.29Å; F344-A371 CarbonylContact C-O 3.56Å; F344-A371 WeakPolarHBondContact CA-O 3.46Å; F344-A371 HydrophobicContact CD1-CB 3.67Å; F344-A371 HydrophobicContact CE1-CB 4.05Å; F344-A371 HydrophobicContact CG-CB 4.38Å; F345-A371 PolarHBondContact N-O 2.97Å |
| 372 | I | 84.9 | Confident | 79.6 | Confident | 53 Ų | 53 | 47 Ų | 47 | 27% | 0.272 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 123.2 | -177.6 | -51.9 | -57.4 | 0 | 0 | 0 | 110.5 | F345 I347 I362 F365 A366 | F345-I372 HydrophobicContact CB-CD1 4.2Å; I347-I372 HydrophobicContact CD1-CD1 4.35Å; I362-I372 HydrophobicContact CB-CG2 4.41Å; I362-I372 HydrophobicContact CD1-CG2 4.15Å; I362-I372 HydrophobicContact CG1-CG2 3.81Å; I362-I372 HydrophobicContact CG2-CG1 4.15Å; I362-I372 HydrophobicContact CG2-CG2 4.06Å; F365-I372 HydrophobicContact CB-CD1 3.55Å; A366-I372 HydrophobicContact CB-CG1 4.18Å |
| 373 | M | 79.5 | Confident | 80.1 | Confident | 39 Ų | 39 | 44.5 Ų | 44.5 | 19% | 0.192 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -97.5 | 127 | -177.4 | -61.6 | -64.4 | -60.2 | 0 | 0 | 110.7 | F344 F345 Y346 K375 | F344-M373 HydrophobicContact CB-CG 3.96Å; F344-M373 HydrophobicContact CB-SD 4.29Å; F344-M373 HydrophobicContact CD1-SD 3.79Å; F344-M373 HydrophobicContact CG-SD 4.47Å; F345-M373 WeakPolarHBondContact O-CB 3.44Å; F345-M373 PolarHBondContact O-N 3.3Å; Y346-M373 WeakPolarHBondContact CD2-O 3.41Å; M373-K375 VanDerWaalsContact C-N 3.3Å; M373-K375 WeakPolarHBondContact CB-O 3.46Å |
| 374 | S | 74.2 | Confident | 80.7 | Confident | 86 Ų | 86 | 37.8 Ų | 37.8 | 60% | 0.601 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -75.8 | -20.3 | 173 | 58.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 375 | K | 72.2 | Confident | 80.8 | Confident | 74 Ų | 74 | 35 Ų | 35 | 32% | 0.322 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -132.5 | 147.8 | 176.4 | -74 | -179.8 | 170.7 | 169.7 | 0 | 110.8 | I90 L93 M373 | I90-K375 HydrophobicContact CG2-CD 4.48Å; I90-K375 VanDerWaalsContact CG2-CE 3.44Å; I90-K375 PolarHBondContact O-NZ 2.96Å; L93-K375 VanDerWaalsContact CD1-NZ 3.34Å; M373-K375 VanDerWaalsContact C-N 3.3Å; M373-K375 WeakPolarHBondContact CB-O 3.46Å |
| 376 | L | 80.1 | Confident | 81 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | trans | -66.4 | 134 | 173.9 | -112.5 | 115.7 | 0 | 0 | 0 | 110.8 | Y346 V382 A407 T410 A411 L416 | Y346-L376 HydrophobicContact CD1-CD1 3.38Å; Y346-L376 HydrophobicContact CD1-CG 4.2Å; Y346-L376 HydrophobicContact CD2-CD1 4.04Å; Y346-L376 HydrophobicContact CD2-CG 4.31Å; Y346-L376 HydrophobicContact CE1-CD1 3.51Å; Y346-L376 HydrophobicContact CE2-CD1 4.13Å; Y346-L376 HydrophobicContact CG-CD1 3.66Å; Y346-L376 HydrophobicContact CG-CG 4Å; L376-V382 HydrophobicContact CD1-CG2 4.28Å; L376-V382 HydrophobicContact CD2-CG2 3.86Å; L376-V382 HydrophobicContact CG-CG2 4.19Å; L376-A407 HydrophobicContact CD1-CB 3.55Å; L376-A407 WeakPolarHBondContact CD1-O 3.27Å; L376-T410 HydrophobicContact CD2-CG2 4.46Å; L376-A411 HydrophobicContact CD2-CB 3.84Å; L376-L416 HydrophobicContact CD2-CD1 3.37Å | ||
| 377 | S | 74.6 | Confident | 81.4 | Confident | 34 Ų | 34 | 41.4 Ų | 41.4 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | trans | -125.2 | 167 | 171.8 | 76.8 | 0 | 0 | 0 | 0 | 110 | N379 S380 L416 | S377-N379 PolarHBondContact O-N 3.03Å; S377-N379 PolarHBondContact OG-N 3.17Å; S377-S380 PolarHBondContact N-OG 2.98Å; S377-S380 WeakPolarHBondContact O-CB 3.48Å; S377-S380 PolarHBondContact O-N 2.96Å; S377-S380 VanDerWaalsContact O-N 3.07Å; S377-S380 PolarHBondContact O-OG 3.1Å; S377-S380 PolarHBondContact OG-N 2.85Å; S377-S380 PolarHBondContact OG-OG 2.76Å; S377-L416 VanDerWaalsContact O-CD1 3.24Å; S377-L416 WeakPolarHBondContact O-CD1 3.49Å | ||
| 378 | V | 76.9 | Confident | 81.8 | Confident | 95 Ų | 95 | 36.5 Ų | 36.5 | 58% | 0.576 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -14.5 | 174 | -63.9 | 0 | 0 | 0 | 0 | 113.9 | Y414 L416 | V378-Y414 HydrophobicContact CG1-CD1 4.36Å; V378-Y414 HydrophobicContact CG1-CD2 4.35Å; V378-Y414 HydrophobicContact CG1-CG 4.27Å; V378-L416 WeakPolarHBondContact O-CD2 3.26Å |
| 379 | N | 74 | Confident | 82 | Confident | 78 Ų | 78 | 35.3 Ų | 35.3 | 42% | 0.417 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -1.5 | 179 | -65.7 | -19.7 | 0 | 0 | 0 | 113.3 | F344 S377 | F344-N379 HydrophobicContact CD2-CB 4.4Å; S377-N379 PolarHBondContact O-N 3.03Å; S377-N379 PolarHBondContact OG-N 3.17Å |
| 380 | S | 84.6 | Confident | 82.6 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 135.2 | -176 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | S377 | S377-S380 PolarHBondContact N-OG 2.98Å; S377-S380 WeakPolarHBondContact O-CB 3.48Å; S377-S380 PolarHBondContact O-N 2.96Å; S377-S380 VanDerWaalsContact O-N 3.07Å; S377-S380 PolarHBondContact O-OG 3.1Å; S377-S380 PolarHBondContact OG-N 2.85Å; S377-S380 PolarHBondContact OG-OG 2.76Å |
| 381 | I | 92.1 | Very high | 82.4 | Confident | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 122.6 | 159 | -63.3 | 165.8 | 0 | 0 | 0 | 106.5 | L343 F344 F345 Y346 I419 L445 R458 | L343-I381 HydrophobicContact CB-CD1 4.39Å; F344-I381 PolarHBondContact O-N 2.88Å; F345-I381 CarbonylContact C-O 3.6Å; F345-I381 VanDerWaalsContact CA-O 3.26Å; F345-I381 WeakPolarHBondContact CA-O 3.41Å; F345-I381 HydrophobicContact CD1-CB 3.96Å; F345-I381 HydrophobicContact CD1-CG2 4.04Å; F345-I381 HydrophobicContact CE1-CB 4.12Å; F345-I381 HydrophobicContact CE1-CD1 4.12Å; F345-I381 HydrophobicContact CE1-CG2 4.03Å; F345-I381 HydrophobicContact CZ-CD1 4.46Å; Y346-I381 PolarHBondContact N-O 3.33Å; I381-I419 HydrophobicContact CG2-CD1 3.71Å; I381-I419 HydrophobicContact CG2-CG1 3.8Å; I381-I419 HydrophobicContact CG2-CG2 4.07Å; I381-L445 HydrophobicContact CD1-CD1 3.89Å; I381-L445 HydrophobicContact CD1-CD2 3.87Å; I381-L445 HydrophobicContact CG2-CD2 4.34Å; I381-R458 VanDerWaalsContact CD1-NH2 3.3Å |
| 382 | V | 93 | Very high | 82.2 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 129.4 | -178.7 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | Y346 T348 L376 L408 A411 R417 V418 I419 | Y346-V382 HydrophobicContact CD1-CG1 4.27Å; Y346-V382 CarbonylContact O-C 3.59Å; Y346-V382 VanDerWaalsContact O-CA 3.27Å; Y346-V382 WeakPolarHBondContact O-CA 3.32Å; T348-V382 HydrophobicContact CG2-CG1 4.06Å; L376-V382 HydrophobicContact CD1-CG2 4.28Å; L376-V382 HydrophobicContact CD2-CG2 3.86Å; L376-V382 HydrophobicContact CG-CG2 4.19Å; V382-L408 HydrophobicContact CG1-CD2 3.82Å; V382-A411 HydrophobicContact CG2-CB 3.86Å; V382-R417 PolarHBondContact N-O 2.96Å; V382-V418 HydrophobicContact CB-CB 4.48Å; V382-V418 HydrophobicContact CB-CG1 4.27Å; V382-V418 HydrophobicContact CB-CG2 4.16Å; V382-V418 HydrophobicContact CG1-CG1 4.24Å; V382-V418 CarbonylContact O-C 3.34Å; V382-V418 VanDerWaalsContact O-CA 3.29Å; V382-V418 WeakPolarHBondContact O-CA 3.43Å; V382-I419 PolarHBondContact O-N 3.45Å |
| 383 | V | 93.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 116.6 | 172.9 | -174.1 | 0 | 0 | 0 | 0 | 107.7 | F345 Y346 I347 T348 F352 F365 I419 E421 | F345-V383 HydrophobicContact CD1-CG2 3.93Å; Y346-V383 PolarHBondContact O-N 3.04Å; I347-V383 HydrophobicContact CB-CB 4.43Å; I347-V383 HydrophobicContact CG1-CB 4.09Å; I347-V383 HydrophobicContact CG1-CG2 4.15Å; I347-V383 HydrophobicContact CG2-CB 4.29Å; T348-V383 PolarHBondContact N-O 3.16Å; T348-V383 PolarHBondContact OG1-O 2.78Å; F352-V383 HydrophobicContact CE1-CG1 4.4Å; F365-V383 HydrophobicContact CE1-CG2 4.16Å; F365-V383 HydrophobicContact CE2-CB 4.47Å; F365-V383 HydrophobicContact CE2-CG1 4.01Å; F365-V383 HydrophobicContact CE2-CG2 3.8Å; F365-V383 HydrophobicContact CZ-CG1 4.21Å; F365-V383 HydrophobicContact CZ-CG2 3.57Å; V383-I419 WeakPolarHBondContact CA-O 3.29Å; V383-I419 HydrophobicContact CG2-CD1 4.23Å; V383-I419 HydrophobicContact CG2-CG1 4.07Å; V383-E421 HydrophobicContact CG1-CB 4.37Å |
| 384 | S | 92.6 | Very high | 79.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -151.8 | 174.8 | -173.6 | -167 | 0 | 0 | 0 | 0 | 110.8 | T348 E388 L408 I419 N420 I450 | T348-S384 WeakPolarHBondContact OG1-CA 3.48Å; S384-E388 PolarHBondContact OG-OE2 3.19Å; S384-L408 WeakPolarHBondContact OG-CD1 3.33Å; S384-I419 PolarHBondContact N-O 3Å; S384-N420 WeakPolarHBondContact O-CA 3.37Å; S384-I450 VanDerWaalsContact O-CD1 3.31Å; S384-I450 WeakPolarHBondContact O-CD1 3.47Å | ||
| 385 | T | 90.4 | Very high | 78.6 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | trans | -103.9 | 161.4 | 171.2 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | P351 F352 N387 E388 L389 | P351-T385 WeakPolarHBondContact O-CG2 3.26Å; P351-T385 PolarHBondContact O-OG1 3.49Å; F352-T385 HydrophobicContact CB-CG2 4.46Å; F352-T385 HydrophobicContact CD1-CG2 3.89Å; F352-T385 HydrophobicContact CG-CG2 4.49Å; T385-N387 VanDerWaalsContact C-N 3.28Å; T385-N387 PolarHBondContact O-N 2.95Å; T385-E388 PolarHBondContact O-N 3.16Å; T385-E388 PolarHBondContact OG1-N 3.31Å; T385-L389 PolarHBondContact O-N 3.34Å | ||
| 386 | L | 86.9 | Confident | 77.5 | Confident | 88 Ų | 88 | 51.2 Ų | 51.2 | 46% | 0.461 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 176.1 | -160.5 | 88 | 0 | 0 | 0 | 110.7 | E388 L389 E390 I450 | L386-E388 PolarHBondContact O-N 2.91Å; L386-L389 CarbonylContact O-C 3.51Å; L386-L389 WeakPolarHBondContact O-CA 3.49Å; L386-L389 VanDerWaalsContact O-CB 3.31Å; L386-L389 WeakPolarHBondContact O-CB 3.35Å; L386-L389 PolarHBondContact O-N 3.32Å; L386-E390 VanDerWaalsContact CD2-OE1 3.27Å; L386-E390 WeakPolarHBondContact CD2-OE1 3.34Å; L386-E390 HydrophobicContact CG-CG 4.46Å; L386-E390 WeakPolarHBondContact O-CG 3.37Å; L386-E390 PolarHBondContact O-N 2.86Å; L386-I450 HydrophobicContact CD1-CB 4.17Å; L386-I450 HydrophobicContact CD1-CG2 4.36Å |
| 387 | N | 83.8 | Confident | 76 | Confident | 79 Ų | 79 | 57.3 Ų | 57.3 | 42% | 0.422 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 177.9 | -174.2 | 30.1 | 0 | 0 | 0 | 112.4 | T385 L389 E390 Q391 | T385-N387 VanDerWaalsContact C-N 3.28Å; T385-N387 PolarHBondContact O-N 2.95Å; N387-L389 VanDerWaalsContact C-N 3.25Å; N387-L389 PolarHBondContact O-N 3.38Å; N387-E390 PolarHBondContact O-N 3.48Å; N387-Q391 VanDerWaalsContact O-CG 3.26Å; N387-Q391 WeakPolarHBondContact O-CG 3.44Å; N387-Q391 PolarHBondContact O-N 2.79Å; N387-Q391 PolarHBondContact OD1-NE2 3.32Å |
| 388 | E | 85.2 | Confident | 74.9 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 3% | 0.033 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.8 | -31.7 | 174.5 | -74.1 | -172.5 | 100.9 | 0 | 0 | 112.3 | T348 G350 S384 T385 L386 S404 L408 | T348-E388 WeakPolarHBondContact CB-OE2 3.14Å; T348-E388 PolarHBondContact OG1-OE2 2.87Å; G350-E388 WeakPolarHBondContact CA-OE2 3.42Å; G350-E388 PolarHBondContact N-OE2 3.23Å; G350-E388 VanDerWaalsContact O-CD 3.25Å; S384-E388 PolarHBondContact OG-OE2 3.19Å; T385-E388 PolarHBondContact O-N 3.16Å; T385-E388 PolarHBondContact OG1-N 3.31Å; L386-E388 PolarHBondContact O-N 2.91Å; E388-S404 WeakPolarHBondContact OE1-CB 3.42Å; E388-S404 PolarHBondContact OE1-OG 2.94Å; E388-L408 HydrophobicContact CB-CD1 3.8Å |
| 389 | L | 83.5 | Confident | 73.4 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -74.2 | -40.3 | 178.9 | -155.4 | 98.2 | 0 | 0 | 0 | 112.3 | T385 L386 N387 I392 L408 V418 I450 W453 | T385-L389 PolarHBondContact O-N 3.34Å; L386-L389 CarbonylContact O-C 3.51Å; L386-L389 WeakPolarHBondContact O-CA 3.49Å; L386-L389 VanDerWaalsContact O-CB 3.31Å; L386-L389 WeakPolarHBondContact O-CB 3.35Å; L386-L389 PolarHBondContact O-N 3.32Å; N387-L389 VanDerWaalsContact C-N 3.25Å; N387-L389 PolarHBondContact O-N 3.38Å; L389-I392 WeakPolarHBondContact O-CB 3.27Å; L389-I392 PolarHBondContact O-N 2.59Å; L389-L408 HydrophobicContact CD1-CD2 4.24Å; L389-V418 HydrophobicContact CD1-CB 4.19Å; L389-V418 HydrophobicContact CD1-CG1 4.02Å; L389-V418 HydrophobicContact CD1-CG2 4.09Å; L389-I450 VanDerWaalsContact CD2-O 3.26Å; L389-I450 WeakPolarHBondContact CD2-O 3.42Å; L389-W453 HydrophobicContact CD1-CH2 3.69Å; L389-W453 HydrophobicContact CD1-CZ3 4.1Å; L389-W453 HydrophobicContact CD2-CZ3 4.43Å; L389-W453 HydrophobicContact CG-CH2 4.42Å; L389-W453 HydrophobicContact CG-CZ3 4.37Å |
| 390 | E | 80.6 | Confident | 72.1 | Confident | 98 Ų | 98 | 66 Ų | 66 | 46% | 0.458 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.9 | -35.9 | 178.8 | -74.1 | 174 | 167.5 | 0 | 0 | 111.8 | L386 N387 I392 Q393 S394 | L386-E390 VanDerWaalsContact CD2-OE1 3.27Å; L386-E390 WeakPolarHBondContact CD2-OE1 3.34Å; L386-E390 HydrophobicContact CG-CG 4.46Å; L386-E390 WeakPolarHBondContact O-CG 3.37Å; L386-E390 PolarHBondContact O-N 2.86Å; N387-E390 PolarHBondContact O-N 3.48Å; E390-I392 PolarHBondContact O-N 2.74Å; E390-Q393 PolarHBondContact O-N 2.91Å; E390-S394 PolarHBondContact O-N 2.77Å |
| 391 | Q | 72.8 | Confident | 70.4 | Confident | 84 Ų | 84 | 73.3 Ų | 73.3 | 39% | 0.393 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -12.2 | 175.4 | -72.9 | 172.8 | 20.9 | 0 | 0 | 114.5 | N387 | N387-Q391 VanDerWaalsContact O-CG 3.26Å; N387-Q391 WeakPolarHBondContact O-CG 3.44Å; N387-Q391 PolarHBondContact O-N 2.79Å; N387-Q391 PolarHBondContact OD1-NE2 3.32Å |
| 392 | I | 70.1 | Confident | 69 | Low | 30 Ų | 30 | 76 Ų | 76 | 15% | 0.154 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -24.8 | 173.7 | -54.8 | 162.3 | 0 | 0 | 0 | 110.8 | L389 E390 K405 L408 | L389-I392 WeakPolarHBondContact O-CB 3.27Å; L389-I392 PolarHBondContact O-N 2.59Å; E390-I392 PolarHBondContact O-N 2.74Å; I392-K405 HydrophobicContact CG1-CG 4.26Å; I392-L408 HydrophobicContact CD1-CB 3.11Å; I392-L408 HydrophobicContact CD1-CD1 3.76Å; I392-L408 HydrophobicContact CD1-CG 4.05Å; I392-L408 HydrophobicContact CG1-CB 4.32Å |
| 393 | Q | 58.4 | Low | 67.3 | Low | 100 Ų | 100 | 83.8 Ų | 83.8 | 47% | 0.467 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -24.2 | -175.8 | -60.7 | -177.1 | 7.7 | 0 | 0 | 112.7 | E390 N452 | E390-Q393 PolarHBondContact O-N 2.91Å; Q393-N452 PolarHBondContact NE2-ND2 3.02Å; Q393-N452 PolarHBondContact NE2-OD1 3.35Å |
| 394 | S | 54.8 | Low | 66.1 | Low | 77 Ų | 77 | 84.5 Ų | 84.5 | 54% | 0.538 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -91.8 | -18.8 | -170 | 58.2 | 0 | 0 | 0 | 0 | 116.7 | E390 | E390-S394 PolarHBondContact O-N 2.77Š|
| 395 | D | 49.7 | Very low | 65.3 | Low | 85 Ų | 85 | 86.7 Ų | 86.7 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | trans | -133.4 | 95.1 | -168.2 | -72.7 | -54.7 | 0 | 0 | 0 | 114.7 | N397 K405 | D395-N397 PolarHBondContact O-N 2.84Å; D395-K405 PolarHBondContact O-NZ 3.32Å | ||
| 396 | N | 49.7 | Very low | 64.8 | Low | 171 Ų | 171 | 90.5 Ų | 90.5 | 91% | 0.914 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -76.2 | -1.8 | 167.1 | -88.4 | -27.8 | 0 | 0 | 0 | 113.6 | ||
| 397 | N | 49.6 | Very low | 64.6 | Low | 160 Ų | 160 | 86.7 Ų | 86.7 | 86% | 0.856 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -128.7 | 0.2 | -167.8 | -86.8 | -23.1 | 0 | 0 | 0 | 117.1 | D395 | D395-N397 PolarHBondContact O-N 2.84Š|
| 398 | D | 49.9 | Very low | 64.8 | Low | 107 Ų | 107 | 83 Ų | 83 | 57% | 0.572 | 42% | 0.417 | S | S | * | . | trans | -102.1 | 120.2 | 178.3 | -153 | -17.6 | 0 | 0 | 0 | 112.8 | S400 | D398-S400 PolarHBondContact O-N 3.49Å; D398-S400 PolarHBondContact OD1-N 3Å | ||
| 399 | K | 47.1 | Very low | 64.8 | Low | 207 Ų | 207 | 85.9 Ų | 85.9 | 90% | 0.9 | 44% | 0.436 | S | S | * | . | trans | -79.2 | 1.7 | -176.5 | -74.1 | 177.2 | 178.8 | 169.3 | 0 | 113.2 | K401 | K399-K401 PolarHBondContact O-N 3.47Š| ||
| 400 | S | 44.9 | Very low | 64.8 | Low | 75 Ų | 75 | 88 Ų | 88 | 52% | 0.524 | 45% | 0.448 | S | S | . | . | trans | -78.5 | 90.1 | 172.4 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | D398 T402 | D398-S400 PolarHBondContact O-N 3.49Å; D398-S400 PolarHBondContact OD1-N 3Å; S400-T402 PolarHBondContact O-N 2.81Å | ||
| 401 | K | 49.6 | Very low | 65.1 | Low | 158 Ų | 158 | 83.3 Ų | 83.3 | 69% | 0.687 | 43% | 0.427 | S | S | * | . | trans | -78.7 | 100.9 | 173.5 | -73.9 | 173.9 | 154.7 | -147.3 | 0 | 110.4 | K399 E406 | K399-K401 PolarHBondContact O-N 3.47Å; K401-E406 WeakPolarHBondContact CD-OE1 3.45Å; K401-E406 IonicContact NZ-OE1 3.43Å; K401-E406 PolarHBondContact NZ-OE1 3.32Å | ||
| 402 | T | 61.8 | Low | 65.8 | Low | 62 Ų | 62 | 85.2 Ų | 85.2 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | trans | -75.1 | 144.6 | 165.6 | 50.3 | 0 | 0 | 0 | 0 | 110.1 | S400 S404 K405 E406 | S400-T402 PolarHBondContact O-N 2.81Å; T402-S404 PolarHBondContact O-N 2.97Å; T402-K405 WeakPolarHBondContact O-CB 3.38Å; T402-K405 PolarHBondContact O-N 2.85Å; T402-K405 WeakPolarHBondContact OG1-CB 3.34Å; T402-E406 PolarHBondContact O-N 2.77Å | ||
| 403 | Y | 59.1 | Low | 66.4 | Low | 164 Ų | 164 | 87.5 Ų | 87.5 | 64% | 0.643 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -57.4 | -31.9 | -180 | -138.1 | -90 | 0 | 0 | 0 | 112.2 | A407 | Y403-A407 WeakPolarHBondContact O-CB 3.28Å; Y403-A407 PolarHBondContact O-N 3.45Å; Y403-A407 VanDerWaalsContact O-N 3.11Å |
| 404 | S | 68.1 | Low | 67.6 | Low | 15 Ų | 15 | 88 Ų | 88 | 11% | 0.105 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67 | -39.3 | 174.6 | 42.5 | 0 | 0 | 0 | 0 | 113 | E388 T402 E406 A407 L408 | E388-S404 WeakPolarHBondContact OE1-CB 3.42Å; E388-S404 PolarHBondContact OE1-OG 2.94Å; T402-S404 PolarHBondContact O-N 2.97Å; S404-E406 VanDerWaalsContact C-N 3.34Å; S404-E406 PolarHBondContact O-N 3.5Å; S404-A407 PolarHBondContact O-N 3.34Å; S404-L408 WeakPolarHBondContact O-CB 3.26Å; S404-L408 WeakPolarHBondContact O-CG 3.29Å; S404-L408 PolarHBondContact O-N 2.93Å |
| 405 | K | 76.3 | Confident | 69.1 | Low | 45 Ų | 45 | 84.5 Ų | 84.5 | 20% | 0.196 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 176.2 | -166.1 | 173.2 | -175.5 | 170.5 | 0 | 111.3 | I392 D395 T402 T409 | I392-K405 HydrophobicContact CG1-CG 4.26Å; D395-K405 PolarHBondContact O-NZ 3.32Å; T402-K405 WeakPolarHBondContact O-CB 3.38Å; T402-K405 PolarHBondContact O-N 2.85Å; T402-K405 WeakPolarHBondContact OG1-CB 3.34Å; K405-T409 VanDerWaalsContact O-CB 3.29Å; K405-T409 WeakPolarHBondContact O-CB 3.34Å; K405-T409 PolarHBondContact O-N 2.94Å; K405-T409 PolarHBondContact O-OG1 2.88Å |
| 406 | E | 79.6 | Confident | 70.9 | Confident | 83 Ų | 83 | 81 Ų | 81 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.1 | -43.4 | 176.4 | -65.2 | -165.3 | 149.6 | 0 | 0 | 112.2 | K401 T402 S404 L408 T409 T410 | K401-E406 WeakPolarHBondContact CD-OE1 3.45Å; K401-E406 IonicContact NZ-OE1 3.43Å; K401-E406 PolarHBondContact NZ-OE1 3.32Å; T402-E406 PolarHBondContact O-N 2.77Å; S404-E406 VanDerWaalsContact C-N 3.34Å; S404-E406 PolarHBondContact O-N 3.5Å; E406-L408 PolarHBondContact O-N 2.95Å; E406-T409 PolarHBondContact O-N 3.24Å; E406-T410 WeakPolarHBondContact O-CB 3.47Å; E406-T410 PolarHBondContact O-N 3.41Å; E406-T410 PolarHBondContact O-OG1 2.88Å |
| 407 | A | 82.6 | Confident | 73 | Confident | 7 Ų | 7 | 75.7 Ų | 75.7 | 6% | 0.058 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y346 L376 Y403 S404 T410 A411 | Y346-A407 HydrophobicContact CE1-CB 3.65Å; L376-A407 HydrophobicContact CD1-CB 3.55Å; L376-A407 WeakPolarHBondContact CD1-O 3.27Å; Y403-A407 WeakPolarHBondContact O-CB 3.28Å; Y403-A407 PolarHBondContact O-N 3.45Å; Y403-A407 VanDerWaalsContact O-N 3.11Å; S404-A407 PolarHBondContact O-N 3.34Å; A407-T410 WeakPolarHBondContact O-CB 3.3Å; A407-T410 PolarHBondContact O-N 3.43Å; A407-A411 WeakPolarHBondContact O-CB 3.47Å; A407-A411 PolarHBondContact O-N 2.98Å |
| 408 | L | 87.1 | Confident | 75.1 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -74.8 | -31.7 | -179.2 | -67.3 | 169.1 | 0 | 0 | 0 | 112.9 | T348 V382 S384 E388 L389 I392 S404 E406 T410 A411 R412 V418 | T348-L408 HydrophobicContact CG2-CD1 4.49Å; T348-L408 HydrophobicContact CG2-CD2 4.23Å; T348-L408 HydrophobicContact CG2-CG 4.23Å; V382-L408 HydrophobicContact CG1-CD2 3.82Å; S384-L408 WeakPolarHBondContact OG-CD1 3.33Å; E388-L408 HydrophobicContact CB-CD1 3.8Å; L389-L408 HydrophobicContact CD1-CD2 4.24Å; I392-L408 HydrophobicContact CD1-CB 3.11Å; I392-L408 HydrophobicContact CD1-CD1 3.76Å; I392-L408 HydrophobicContact CD1-CG 4.05Å; I392-L408 HydrophobicContact CG1-CB 4.32Å; S404-L408 WeakPolarHBondContact O-CB 3.26Å; S404-L408 WeakPolarHBondContact O-CG 3.29Å; S404-L408 PolarHBondContact O-N 2.93Å; E406-L408 PolarHBondContact O-N 2.95Å; L408-T410 VanDerWaalsContact C-N 3.31Å; L408-A411 WeakPolarHBondContact O-CB 3.44Å; L408-A411 PolarHBondContact O-N 2.69Å; L408-R412 PolarHBondContact O-N 2.67Å; L408-V418 HydrophobicContact CD2-CG1 4.03Å; L408-V418 HydrophobicContact CD2-CG2 4.19Å |
| 409 | T | 85.2 | Confident | 77.2 | Confident | 69 Ų | 69 | 63 Ų | 63 | 42% | 0.423 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 169.4 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | K405 E406 R412 S413 | K405-T409 VanDerWaalsContact O-CB 3.29Å; K405-T409 WeakPolarHBondContact O-CB 3.34Å; K405-T409 PolarHBondContact O-N 2.94Å; K405-T409 PolarHBondContact O-OG1 2.88Å; E406-T409 PolarHBondContact O-N 3.24Å; T409-R412 PolarHBondContact O-N 2.87Å; T409-S413 PolarHBondContact O-N 3.26Å |
| 410 | T | 84.3 | Confident | 79.4 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 30% | 0.301 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 175.3 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | L376 E406 A407 L408 R412 S413 Y414 | L376-T410 HydrophobicContact CD2-CG2 4.46Å; E406-T410 WeakPolarHBondContact O-CB 3.47Å; E406-T410 PolarHBondContact O-N 3.41Å; E406-T410 PolarHBondContact O-OG1 2.88Å; A407-T410 WeakPolarHBondContact O-CB 3.3Å; A407-T410 PolarHBondContact O-N 3.43Å; L408-T410 VanDerWaalsContact C-N 3.31Å; T410-R412 VanDerWaalsContact C-N 3.31Å; T410-R412 PolarHBondContact O-N 2.85Å; T410-S413 WeakPolarHBondContact CA-OG 3.18Å; T410-S413 PolarHBondContact O-N 3.29Å; T410-S413 PolarHBondContact O-OG 2.97Å; T410-Y414 HydrophobicContact CG2-CD2 3.82Å; T410-Y414 HydrophobicContact CG2-CE2 3.47Å; T410-Y414 VanDerWaalsContact CG2-CE2 3.47Å; T410-Y414 PolarHBondContact O-N 3.47Å |
| 411 | A | 86.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L376 V382 A407 L408 Y414 G415 L416 V418 W453 | L376-A411 HydrophobicContact CD2-CB 3.84Å; V382-A411 HydrophobicContact CG2-CB 3.86Å; A407-A411 WeakPolarHBondContact O-CB 3.47Å; A407-A411 PolarHBondContact O-N 2.98Å; L408-A411 WeakPolarHBondContact O-CB 3.44Å; L408-A411 PolarHBondContact O-N 2.69Å; A411-Y414 PolarHBondContact O-N 3.36Å; A411-G415 PolarHBondContact O-N 3.11Å; A411-L416 HydrophobicContact CB-CB 4.23Å; A411-L416 HydrophobicContact CB-CD1 4.41Å; A411-L416 PolarHBondContact O-N 3.41Å; A411-V418 HydrophobicContact CB-CG2 4.38Å; A411-W453 HydrophobicContact CB-CZ2 4.45Å |
| 412 | R | 87.7 | Confident | 83.5 | Confident | 124 Ų | 124 | 48.7 Ų | 48.7 | 47% | 0.468 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 174.9 | -174.1 | 174.8 | -175.6 | 178.5 | 2.9 | 112.1 | L408 T409 T410 Y414 G415 W453 | L408-R412 PolarHBondContact O-N 2.67Å; T409-R412 PolarHBondContact O-N 2.87Å; T410-R412 VanDerWaalsContact C-N 3.31Å; T410-R412 PolarHBondContact O-N 2.85Å; R412-Y414 VanDerWaalsContact C-N 3.25Å; R412-Y414 PolarHBondContact O-N 2.79Å; R412-G415 PolarHBondContact O-N 2.91Å; R412-G415 VanDerWaalsContact O-N 3.07Å; R412-W453 HydrophobicContact CB-CD2 4.15Å; R412-W453 HydrophobicContact CB-CE3 4.06Å; R412-W453 HydrophobicContact CB-CH2 3.82Å; R412-W453 HydrophobicContact CB-CZ2 3.94Å; R412-W453 HydrophobicContact CB-CZ3 3.9Å; R412-W453 HydrophobicContact CG-CD2 3.85Å; R412-W453 HydrophobicContact CG-CE3 3.66Å; R412-W453 HydrophobicContact CG-CG 4.41Å; R412-W453 HydrophobicContact CG-CH2 4.35Å; R412-W453 HydrophobicContact CG-CZ3 3.94Å |
| 413 | S | 84 | Confident | 84.9 | Confident | 78 Ų | 78 | 45.7 Ų | 45.7 | 55% | 0.545 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.2 | -32.9 | 179 | 62.1 | 0 | 0 | 0 | 0 | 113.1 | T409 T410 | T409-S413 PolarHBondContact O-N 3.26Å; T410-S413 WeakPolarHBondContact CA-OG 3.18Å; T410-S413 PolarHBondContact O-N 3.29Å; T410-S413 PolarHBondContact O-OG 2.97Å |
| 414 | Y | 82.7 | Confident | 86.3 | Confident | 111 Ų | 111 | 38.5 Ų | 38.5 | 44% | 0.435 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -85.9 | -7 | 175.9 | -67.6 | -27.8 | 0 | 0 | 0 | 113.9 | V378 T410 A411 R412 L416 | V378-Y414 HydrophobicContact CG1-CD1 4.36Å; V378-Y414 HydrophobicContact CG1-CD2 4.35Å; V378-Y414 HydrophobicContact CG1-CG 4.27Å; T410-Y414 HydrophobicContact CG2-CD2 3.82Å; T410-Y414 HydrophobicContact CG2-CE2 3.47Å; T410-Y414 VanDerWaalsContact CG2-CE2 3.47Å; T410-Y414 PolarHBondContact O-N 3.47Å; A411-Y414 PolarHBondContact O-N 3.36Å; R412-Y414 VanDerWaalsContact C-N 3.25Å; R412-Y414 PolarHBondContact O-N 2.79Å; Y414-L416 VanDerWaalsContact C-N 3.29Å; Y414-L416 HydrophobicContact CD2-CD1 4.27Å |
| 415 | G | 85.1 | Confident | 87.1 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 31.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A411 R412 V455 K456 | A411-G415 PolarHBondContact O-N 3.11Å; R412-G415 PolarHBondContact O-N 2.91Å; R412-G415 VanDerWaalsContact O-N 3.07Å; G415-V455 CarbonylContact O-C 3.47Å; G415-V455 WeakPolarHBondContact O-CA 3.47Å; G415-K456 PolarHBondContact O-N 3.41Å |
| 416 | L | 88.4 | Confident | 87.6 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | trans | -74.6 | 151.6 | -178.1 | -58.7 | 179.7 | 0 | 0 | 0 | 111.7 | L376 S377 V378 A411 Y414 V418 W453 | L376-L416 HydrophobicContact CD2-CD1 3.37Å; S377-L416 VanDerWaalsContact O-CD1 3.24Å; S377-L416 WeakPolarHBondContact O-CD1 3.49Å; V378-L416 WeakPolarHBondContact O-CD2 3.26Å; A411-L416 HydrophobicContact CB-CB 4.23Å; A411-L416 HydrophobicContact CB-CD1 4.41Å; A411-L416 PolarHBondContact O-N 3.41Å; Y414-L416 VanDerWaalsContact C-N 3.29Å; Y414-L416 HydrophobicContact CD2-CD1 4.27Å; L416-V418 PolarHBondContact O-N 2.88Å; L416-W453 PolarHBondContact O-NE1 3.23Å | ||
| 417 | R | 93.4 | Very high | 87.6 | Confident | 58 Ų | 58 | 36.6 Ų | 36.6 | 22% | 0.219 | 19% | 0.187 | C | C | . | . | trans | -72.3 | 124 | 173.3 | -166.2 | 176.4 | -70.1 | -84.2 | 1 | 109.5 | V382 I419 T449 V455 | V382-R417 PolarHBondContact N-O 2.96Å; R417-I419 HydrophobicContact CG-CG2 3.9Å; R417-T449 VanDerWaalsContact CD-OG1 3.28Å; R417-T449 WeakPolarHBondContact CD-OG1 3.24Å; R417-T449 HydrophobicContact CG-CG2 4.02Å; R417-T449 VanDerWaalsContact CG-OG1 3.27Å; R417-T449 WeakPolarHBondContact CG-OG1 3.15Å; R417-T449 PolarHBondContact NH1-OG1 3.31Å; R417-V455 HydrophobicContact CB-CG1 3.72Å; R417-V455 HydrophobicContact CB-CG2 4.27Å; R417-V455 HydrophobicContact CG-CG1 4.3Å; R417-V455 HydrophobicContact CG-CG2 4.27Å | ||
| 418 | V | 93.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 124.8 | 167.9 | -169.9 | 0 | 0 | 0 | 0 | 107.8 | V382 L389 L408 A411 L416 T449 I450 S451 W453 | V382-V418 HydrophobicContact CB-CB 4.48Å; V382-V418 HydrophobicContact CB-CG1 4.27Å; V382-V418 HydrophobicContact CB-CG2 4.16Å; V382-V418 HydrophobicContact CG1-CG1 4.24Å; V382-V418 CarbonylContact O-C 3.34Å; V382-V418 VanDerWaalsContact O-CA 3.29Å; V382-V418 WeakPolarHBondContact O-CA 3.43Å; L389-V418 HydrophobicContact CD1-CB 4.19Å; L389-V418 HydrophobicContact CD1-CG1 4.02Å; L389-V418 HydrophobicContact CD1-CG2 4.09Å; L408-V418 HydrophobicContact CD2-CG1 4.03Å; L408-V418 HydrophobicContact CD2-CG2 4.19Å; A411-V418 HydrophobicContact CB-CG2 4.38Å; L416-V418 PolarHBondContact O-N 2.88Å; V418-T449 CarbonylContact O-C 3.57Å; V418-T449 VanDerWaalsContact O-CA 3.3Å; V418-T449 WeakPolarHBondContact O-CA 3.39Å; V418-I450 HydrophobicContact CB-CG1 4.11Å; V418-I450 HydrophobicContact CG1-CD1 3.9Å; V418-I450 HydrophobicContact CG1-CG1 3.75Å; V418-I450 WeakPolarHBondContact O-CG1 3.41Å; V418-I450 PolarHBondContact O-N 3.27Å; V418-S451 PolarHBondContact N-OG 2.82Å; V418-S451 PolarHBondContact O-N 3.44Å; V418-W453 HydrophobicContact CG2-CH2 3.98Å; V418-W453 HydrophobicContact CG2-CZ2 3.52Å |
| 419 | I | 94.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 155 | 177.9 | 65.9 | 173 | 0 | 0 | 0 | 111 | F345 F365 I381 V382 V383 S384 R417 F423 L445 Y448 | F345-I419 HydrophobicContact CE1-CD1 4.1Å; F365-I419 HydrophobicContact CZ-CD1 4.46Å; I381-I419 HydrophobicContact CG2-CD1 3.71Å; I381-I419 HydrophobicContact CG2-CG1 3.8Å; I381-I419 HydrophobicContact CG2-CG2 4.07Å; V382-I419 PolarHBondContact O-N 3.45Å; V383-I419 WeakPolarHBondContact CA-O 3.29Å; V383-I419 HydrophobicContact CG2-CD1 4.23Å; V383-I419 HydrophobicContact CG2-CG1 4.07Å; S384-I419 PolarHBondContact N-O 3Å; R417-I419 HydrophobicContact CG-CG2 3.9Å; I419-F423 HydrophobicContact CD1-CB 4.07Å; I419-F423 HydrophobicContact CD1-CD1 3.97Å; I419-F423 HydrophobicContact CD1-CD2 4.39Å; I419-F423 HydrophobicContact CD1-CG 3.89Å; I419-L445 HydrophobicContact CD1-CD2 4.06Å; I419-L445 HydrophobicContact CG2-CD2 4.21Å; I419-Y448 CarbonylContact C-O 3.6Å; I419-Y448 WeakPolarHBondContact CA-O 3.28Å; I419-Y448 WeakPolarHBondContact CB-O 3.47Å |
| 420 | N | 93.1 | Very high | 83.9 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | trans | -84.2 | 162.1 | 168.9 | 73.4 | 37.8 | 0 | 0 | 0 | 111.8 | S384 Q422 F423 Y448 I450 | S384-N420 WeakPolarHBondContact O-CA 3.37Å; N420-Q422 PolarHBondContact O-N 2.97Å; N420-Q422 VanDerWaalsContact OD1-CB 3.26Å; N420-Q422 WeakPolarHBondContact OD1-CB 3.5Å; N420-Q422 PolarHBondContact OD1-N 3.41Å; N420-F423 WeakPolarHBondContact O-CB 3.5Å; N420-F423 PolarHBondContact O-N 2.8Å; N420-Y448 PolarHBondContact N-O 2.87Å; N420-Y448 WeakPolarHBondContact OD1-CD1 3.26Å; N420-I450 HydrophobicContact CB-CG2 3.97Å | ||
| 421 | E | 90.5 | Very high | 82.6 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -69.6 | -17.2 | -179.2 | 62.3 | 169.3 | 175.1 | 0 | 0 | 114.4 | F352 D353 S354 L361 V383 F423 L424 | F352-E421 WeakPolarHBondContact CB-OE2 3.5Å; D353-E421 PolarHBondContact N-OE1 3.17Å; S354-E421 WeakPolarHBondContact CA-OE1 3.44Å; S354-E421 WeakPolarHBondContact CB-OE1 3.5Å; S354-E421 PolarHBondContact N-OE1 3.07Å; S354-E421 PolarHBondContact OG-OE1 3.29Å; S354-E421 PolarHBondContact OG-OE2 3.47Å; L361-E421 HydrophobicContact CD1-CB 4.16Å; L361-E421 HydrophobicContact CD2-CB 3.98Å; L361-E421 WeakPolarHBondContact CD2-OE2 3.46Å; V383-E421 HydrophobicContact CG1-CB 4.37Å; E421-F423 PolarHBondContact O-N 3.47Å; E421-L424 WeakPolarHBondContact O-CB 3.34Å; E421-L424 PolarHBondContact O-N 3.29Å |
| 422 | Q | 90.5 | Very high | 81.1 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 48% | 0.477 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -62.7 | -15.3 | 177.6 | -59.1 | -178.8 | -8.2 | 0 | 0 | 111.4 | N420 L424 S425 Y448 | N420-Q422 PolarHBondContact O-N 2.97Å; N420-Q422 VanDerWaalsContact OD1-CB 3.26Å; N420-Q422 WeakPolarHBondContact OD1-CB 3.5Å; N420-Q422 PolarHBondContact OD1-N 3.41Å; Q422-L424 PolarHBondContact O-N 2.8Å; Q422-S425 VanDerWaalsContact O-CB 3.27Å; Q422-S425 WeakPolarHBondContact O-CB 3.29Å; Q422-S425 PolarHBondContact O-N 3.19Å; Q422-S425 PolarHBondContact O-OG 2.88Å; Q422-Y448 HydrophobicContact CB-CD1 3.98Å; Q422-Y448 HydrophobicContact CB-CE1 3.6Å |
| 423 | F | 91.2 | Very high | 79.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -47.1 | -39.6 | 165.6 | 177.3 | -102.8 | 0 | 0 | 0 | 112.9 | L340 F345 F365 I419 N420 E421 S425 E426 F427 L444 L445 Y448 | L340-F423 HydrophobicContact CD1-CE1 3.97Å; L340-F423 HydrophobicContact CD2-CE1 3.59Å; L340-F423 HydrophobicContact CD2-CZ 3.64Å; L340-F423 HydrophobicContact CG-CE1 4.47Å; F345-F423 HydrophobicContact CE1-CE1 4.47Å; F345-F423 HydrophobicContact CZ-CE1 4.36Å; F365-F423 AromaticContact CE1-CD1 3.71Å; F365-F423 HydrophobicContact CE1-CD1 3.71Å; F365-F423 AromaticContact CE1-CE1 3.95Å; F365-F423 HydrophobicContact CE1-CE1 3.95Å; F365-F423 AromaticContact CZ-CD1 3.97Å; F365-F423 HydrophobicContact CZ-CD1 3.97Å; I419-F423 HydrophobicContact CD1-CB 4.07Å; I419-F423 HydrophobicContact CD1-CD1 3.97Å; I419-F423 HydrophobicContact CD1-CD2 4.39Å; I419-F423 HydrophobicContact CD1-CG 3.89Å; N420-F423 WeakPolarHBondContact O-CB 3.5Å; N420-F423 PolarHBondContact O-N 2.8Å; E421-F423 PolarHBondContact O-N 3.47Å; F423-S425 PolarHBondContact O-N 3.26Å; F423-E426 PolarHBondContact O-N 3.08Å; F423-F427 AromaticContact CD1-CE2 3.97Å; F423-F427 HydrophobicContact CD1-CE2 3.97Å; F423-F427 HydrophobicContact CD2-CE2 4.37Å; F423-F427 HydrophobicContact CE1-CD2 4.48Å; F423-F427 AromaticContact CE1-CE2 3.54Å; F423-F427 HydrophobicContact CE1-CE2 3.54Å; F423-F427 AromaticContact CE1-CZ 3.99Å; F423-F427 HydrophobicContact CE1-CZ 3.99Å; F423-F427 AromaticContact CE2-CE2 3.97Å; F423-F427 HydrophobicContact CE2-CE2 3.97Å; F423-F427 HydrophobicContact CE2-CZ 4.21Å; F423-F427 HydrophobicContact CG-CE2 4.37Å; F423-F427 AromaticContact CZ-CE2 3.53Å; F423-F427 HydrophobicContact CZ-CE2 3.53Å; F423-F427 AromaticContact CZ-CZ 3.64Å; F423-F427 HydrophobicContact CZ-CZ 3.64Å; F423-F427 VanDerWaalsContact O-CD2 3.3Å; F423-F427 WeakPolarHBondContact O-CD2 3.41Å; F423-F427 WeakPolarHBondContact O-CE2 3.22Å; F423-L444 HydrophobicContact CD2-CB 4.3Å; F423-L444 HydrophobicContact CE2-CB 3.88Å; F423-L445 HydrophobicContact CD2-CD2 4.38Å; F423-L445 HydrophobicContact CE2-CD2 3.82Å; F423-L445 HydrophobicContact CE2-CG 4.12Å; F423-L445 HydrophobicContact CZ-CD2 4.01Å; F423-L445 HydrophobicContact CZ-CG 4.46Å; F423-Y448 HydrophobicContact CB-CD2 4.16Å; F423-Y448 HydrophobicContact CB-CG 4.01Å; F423-Y448 AromaticContact CD2-CD2 3.93Å; F423-Y448 HydrophobicContact CD2-CD2 3.93Å; F423-Y448 HydrophobicContact CD2-CG 4.43Å |
| 424 | L | 88.3 | Confident | 78.2 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -65.4 | -24.2 | 178.9 | -69.9 | 171.3 | 0 | 0 | 0 | 113.2 | L361 E364 F365 L368 E421 Q422 E426 F427 | L361-L424 HydrophobicContact CD2-CD1 3.6Å; E364-L424 HydrophobicContact CB-CD1 3.8Å; E364-L424 HydrophobicContact CB-CD2 4.34Å; E364-L424 WeakPolarHBondContact OE2-CD1 3.31Å; F365-L424 HydrophobicContact CD1-CD2 4.09Å; F365-L424 HydrophobicContact CD2-CD1 3.8Å; F365-L424 HydrophobicContact CD2-CD2 3.93Å; F365-L424 HydrophobicContact CD2-CG 4.15Å; F365-L424 HydrophobicContact CE1-CD2 4.03Å; F365-L424 HydrophobicContact CE1-CG 4.43Å; F365-L424 HydrophobicContact CE2-CD1 3.51Å; F365-L424 HydrophobicContact CE2-CD2 3.87Å; F365-L424 HydrophobicContact CE2-CG 3.68Å; F365-L424 HydrophobicContact CG-CD2 4.03Å; F365-L424 HydrophobicContact CZ-CD1 4.2Å; F365-L424 HydrophobicContact CZ-CD2 3.92Å; F365-L424 HydrophobicContact CZ-CG 3.83Å; L368-L424 HydrophobicContact CD1-CD2 3.57Å; E421-L424 WeakPolarHBondContact O-CB 3.34Å; E421-L424 PolarHBondContact O-N 3.29Å; Q422-L424 PolarHBondContact O-N 2.8Å; L424-E426 PolarHBondContact O-N 3.03Å; L424-F427 PolarHBondContact O-N 2.87Å |
| 425 | S | 86.2 | Confident | 76.7 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 44% | 0.441 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -66 | -20.6 | -179.1 | 73.2 | 0 | 0 | 0 | 0 | 113.6 | Q422 F423 F427 | Q422-S425 VanDerWaalsContact O-CB 3.27Å; Q422-S425 WeakPolarHBondContact O-CB 3.29Å; Q422-S425 PolarHBondContact O-N 3.19Å; Q422-S425 PolarHBondContact O-OG 2.88Å; F423-S425 PolarHBondContact O-N 3.26Å; S425-F427 PolarHBondContact O-N 3.46Å |
| 426 | E | 86 | Confident | 75.4 | Confident | 28 Ų | 28 | 58.1 Ų | 58.1 | 13% | 0.131 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -77 | -11.1 | 176.2 | -58.7 | -71.1 | -159.9 | 0 | 0 | 112.9 | F423 L424 K431 L444 K447 Y448 | F423-E426 PolarHBondContact O-N 3.08Å; L424-E426 PolarHBondContact O-N 3.03Å; E426-K431 IonicContact OE2-NZ 2.82Å; E426-L444 HydrophobicContact CB-CD1 4.02Å; E426-L444 HydrophobicContact CB-CD2 4.46Å; E426-L444 HydrophobicContact CG-CD1 4.34Å; E426-L444 HydrophobicContact CG-CD2 3.93Å; E426-K447 IonicContact OE1-NZ 3.66Å; E426-K447 PolarHBondContact OE1-NZ 2.9Å; E426-Y448 HydrophobicContact CG-CE2 3.54Å; E426-Y448 WeakPolarHBondContact CG-OH 3.49Å; E426-Y448 PolarHBondContact OE1-OH 2.8Å |
| 427 | F | 79.5 | Confident | 74.1 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 5% | 0.053 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -104.4 | 16.7 | -179.2 | -57.1 | -90.4 | 0 | 0 | 0 | 112.7 | P339 L340 L368 F423 L424 S425 L432 L437 L444 | P339-F427 HydrophobicContact CB-CD1 4Å; P339-F427 HydrophobicContact CB-CE1 3.79Å; P339-F427 HydrophobicContact CG-CD1 3.48Å; P339-F427 VanDerWaalsContact CG-CD1 3.48Å; P339-F427 HydrophobicContact CG-CE1 3.78Å; L340-F427 HydrophobicContact CD2-CE1 3.8Å; L340-F427 HydrophobicContact CD2-CE2 4.12Å; L340-F427 HydrophobicContact CD2-CZ 3.51Å; L340-F427 HydrophobicContact CG-CE1 4.44Å; L340-F427 HydrophobicContact CG-CZ 4.47Å; L368-F427 HydrophobicContact CD1-CB 3.62Å; L368-F427 HydrophobicContact CD1-CD1 4.32Å; L368-F427 HydrophobicContact CD1-CD2 4.14Å; L368-F427 HydrophobicContact CD1-CG 3.76Å; L368-F427 HydrophobicContact CD2-CB 3.89Å; L368-F427 HydrophobicContact CD2-CG 4.42Å; L368-F427 HydrophobicContact CG-CB 4.43Å; F423-F427 AromaticContact CD1-CE2 3.97Å; F423-F427 HydrophobicContact CD1-CE2 3.97Å; F423-F427 HydrophobicContact CD2-CE2 4.37Å; F423-F427 HydrophobicContact CE1-CD2 4.48Å; F423-F427 AromaticContact CE1-CE2 3.54Å; F423-F427 HydrophobicContact CE1-CE2 3.54Å; F423-F427 AromaticContact CE1-CZ 3.99Å; F423-F427 HydrophobicContact CE1-CZ 3.99Å; F423-F427 AromaticContact CE2-CE2 3.97Å; F423-F427 HydrophobicContact CE2-CE2 3.97Å; F423-F427 HydrophobicContact CE2-CZ 4.21Å; F423-F427 HydrophobicContact CG-CE2 4.37Å; F423-F427 AromaticContact CZ-CE2 3.53Å; F423-F427 HydrophobicContact CZ-CE2 3.53Å; F423-F427 AromaticContact CZ-CZ 3.64Å; F423-F427 HydrophobicContact CZ-CZ 3.64Å; F423-F427 VanDerWaalsContact O-CD2 3.3Å; F423-F427 WeakPolarHBondContact O-CD2 3.41Å; F423-F427 WeakPolarHBondContact O-CE2 3.22Å; L424-F427 PolarHBondContact O-N 2.87Å; S425-F427 PolarHBondContact O-N 3.46Å; F427-L432 HydrophobicContact CB-CD1 4.14Å; F427-L432 HydrophobicContact CD1-CD1 4.38Å; F427-L437 HydrophobicContact CD1-CD2 3.28Å; F427-L437 HydrophobicContact CD1-CG 4.26Å; F427-L437 HydrophobicContact CE1-CD1 4.47Å; F427-L437 HydrophobicContact CE1-CD2 3.28Å; F427-L437 HydrophobicContact CE1-CG 3.79Å; F427-L437 HydrophobicContact CG-CD2 4.35Å; F427-L437 HydrophobicContact CZ-CD2 4.36Å; F427-L444 HydrophobicContact CZ-CD1 4.31Å |
| 428 | S | 66 | Low | 72.3 | Confident | 52 Ų | 52 | 62.1 Ų | 62.1 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | trans | -63.5 | 142.7 | 175.7 | -168.9 | 0 | 0 | 0 | 0 | 111.3 | S430 K431 | S428-S430 PolarHBondContact O-N 3.49Å; S428-K431 PolarHBondContact O-N 3.47Å | ||
| 429 | P | 58.2 | Low | 70.6 | Confident | 123 Ų | 123 | 66.6 Ų | 66.6 | 80% | 0.799 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -25.7 | -177.7 | -26.7 | 33.3 | 0 | 0 | 0 | 114.7 | K431 | P429-K431 VanDerWaalsContact C-N 3.32Å; P429-K431 PolarHBondContact O-N 2.86Å |
| 430 | S | 54 | Low | 69.8 | Low | 107 Ų | 107 | 71.4 Ų | 71.4 | 75% | 0.748 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -12.2 | 178.8 | 57.3 | 0 | 0 | 0 | 0 | 114.9 | S428 | S428-S430 PolarHBondContact O-N 3.49Š|
| 431 | K | 55.4 | Low | 69.3 | Low | 130 Ų | 130 | 70.7 Ų | 70.7 | 57% | 0.565 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | 1.3 | -176.8 | -69.6 | -175.8 | 176 | 178.9 | 0 | 114.3 | E426 S428 P429 D433 | E426-K431 IonicContact OE2-NZ 2.82Å; S428-K431 PolarHBondContact O-N 3.47Å; P429-K431 VanDerWaalsContact C-N 3.32Å; P429-K431 PolarHBondContact O-N 2.86Å; K431-D433 PolarHBondContact O-N 3.36Å; K431-D433 VanDerWaalsContact O-N 3.09Å |
| 432 | L | 55.1 | Low | 68.8 | Low | 74 Ų | 74 | 75 Ų | 75 | 39% | 0.387 | 40% | 0.402 | S | S | . | . | trans | -87.4 | 81 | -163.4 | -141.4 | 87.4 | 0 | 0 | 0 | 113.7 | F427 S434 L437 | F427-L432 HydrophobicContact CB-CD1 4.14Å; F427-L432 HydrophobicContact CD1-CD1 4.38Å; L432-S434 PolarHBondContact O-N 3.33Å; L432-L437 HydrophobicContact CD1-CD2 3.75Å; L432-L437 HydrophobicContact CG-CD2 4.41Å | ||
| 433 | D | 57.2 | Low | 68.5 | Low | 85 Ų | 85 | 76.5 Ų | 76.5 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | trans | -84.7 | 87.7 | 154.4 | -173.7 | -0.6 | 0 | 0 | 0 | 108.4 | K431 K435 K436 L437 | K431-D433 PolarHBondContact O-N 3.36Å; K431-D433 VanDerWaalsContact O-N 3.09Å; D433-K435 PolarHBondContact O-N 3.41Å; D433-K436 HydrophobicContact CB-CB 4.39Å; D433-K436 PolarHBondContact O-N 3.39Å; D433-K436 WeakPolarHBondContact OD2-CD 3.45Å; D433-L437 PolarHBondContact O-N 3.46Å | ||
| 434 | S | 53.4 | Low | 68.3 | Low | 69 Ų | 69 | 77.4 Ų | 77.4 | 48% | 0.483 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -50 | -29.1 | -173 | 55.3 | 0 | 0 | 0 | 0 | 114.7 | L432 | L432-S434 PolarHBondContact O-N 3.33Å |
| 435 | K | 52.1 | Low | 68.3 | Low | 120 Ų | 120 | 76.9 Ų | 76.9 | 52% | 0.522 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -81 | -26.1 | 178.8 | -73.7 | -169.1 | 174.9 | -165.8 | 0 | 114.3 | D433 | D433-K435 PolarHBondContact O-N 3.41Å |
| 436 | K | 58.1 | Low | 68.3 | Low | 134 Ų | 134 | 76.4 Ų | 76.4 | 58% | 0.583 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -82.2 | -19 | 173.8 | -83.2 | -178.3 | -179.5 | 170 | 0 | 112.8 | D433 S439 | D433-K436 HydrophobicContact CB-CB 4.39Å; D433-K436 PolarHBondContact O-N 3.39Å; D433-K436 WeakPolarHBondContact OD2-CD 3.45Å; K436-S439 PolarHBondContact O-OG 3.36Å |
| 437 | L | 59.9 | Low | 68.5 | Low | 15 Ų | 15 | 81.4 Ų | 81.4 | 8% | 0.079 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -77.8 | -38.6 | -170.6 | -154.2 | 61.6 | 0 | 0 | 0 | 111.9 | P339 F427 L432 D433 S439 K440 I441 L444 | P339-L437 HydrophobicContact CB-CD2 3.93Å; P339-L437 HydrophobicContact CG-CD2 4.26Å; F427-L437 HydrophobicContact CD1-CD2 3.28Å; F427-L437 HydrophobicContact CD1-CG 4.26Å; F427-L437 HydrophobicContact CE1-CD1 4.47Å; F427-L437 HydrophobicContact CE1-CD2 3.28Å; F427-L437 HydrophobicContact CE1-CG 3.79Å; F427-L437 HydrophobicContact CG-CD2 4.35Å; F427-L437 HydrophobicContact CZ-CD2 4.36Å; L432-L437 HydrophobicContact CD1-CD2 3.75Å; L432-L437 HydrophobicContact CG-CD2 4.41Å; D433-L437 PolarHBondContact O-N 3.46Å; L437-S439 VanDerWaalsContact C-N 3.34Å; L437-S439 PolarHBondContact O-N 3.37Å; L437-K440 CarbonylContact O-C 3.46Å; L437-K440 WeakPolarHBondContact O-CA 3.2Å; L437-K440 PolarHBondContact O-N 3.3Å; L437-I441 WeakPolarHBondContact O-CG1 3.35Å; L437-I441 PolarHBondContact O-N 2.91Å; L437-L444 HydrophobicContact CD1-CD1 4.01Å |
| 438 | E | 55.7 | Low | 69.2 | Low | 139 Ų | 139 | 81.7 Ų | 81.7 | 65% | 0.65 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -55.9 | -43.7 | 177.5 | -90.6 | 179.8 | 163.8 | 0 | 0 | 113.1 | K440 I441 | E438-K440 PolarHBondContact O-N 2.72Å; E438-I441 HydrophobicContact CG-CD1 4.39Å; E438-I441 PolarHBondContact O-N 3.36Å |
| 439 | S | 58.9 | Low | 70.4 | Confident | 95 Ų | 95 | 80.9 Ų | 80.9 | 66% | 0.664 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -70.4 | -21 | 177.6 | 63.7 | 0 | 0 | 0 | 0 | 113.3 | K436 L437 | K436-S439 PolarHBondContact O-OG 3.36Å; L437-S439 VanDerWaalsContact C-N 3.34Å; L437-S439 PolarHBondContact O-N 3.37Å |
| 440 | K | 76.4 | Confident | 72.1 | Confident | 100 Ų | 100 | 76.3 Ų | 76.3 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -93.4 | -13.1 | 178.5 | -73.6 | -173.6 | 176.3 | -172.5 | 0 | 114.5 | L437 E438 Q442 Q443 L444 | L437-K440 CarbonylContact O-C 3.46Å; L437-K440 WeakPolarHBondContact O-CA 3.2Å; L437-K440 PolarHBondContact O-N 3.3Å; E438-K440 PolarHBondContact O-N 2.72Å; K440-Q442 VanDerWaalsContact C-N 3.26Å; K440-Q442 PolarHBondContact O-N 3.19Å; K440-Q442 VanDerWaalsContact O-N 3.17Å; K440-Q443 CarbonylContact O-C 3.04Å; K440-Q443 WeakPolarHBondContact O-CA 3.5Å; K440-Q443 WeakPolarHBondContact O-CB 3.18Å; K440-Q443 PolarHBondContact O-N 2.59Å; K440-L444 HydrophobicContact CB-CG 4.48Å; K440-L444 WeakPolarHBondContact O-CG 3.49Å; K440-L444 PolarHBondContact O-N 3.07Å |
| 441 | I | 82.2 | Confident | 73.8 | Confident | 13 Ų | 13 | 71.9 Ų | 71.9 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -53.5 | -42 | -176.3 | -76.3 | 162.8 | 0 | 0 | 0 | 112.3 | P339 L343 L437 E438 Q443 L444 L445 | P339-I441 WeakPolarHBondContact O-CD1 3.45Å; L343-I441 HydrophobicContact CD1-CG2 3.9Å; L437-I441 WeakPolarHBondContact O-CG1 3.35Å; L437-I441 PolarHBondContact O-N 2.91Å; E438-I441 HydrophobicContact CG-CD1 4.39Å; E438-I441 PolarHBondContact O-N 3.36Å; I441-Q443 VanDerWaalsContact C-N 3.34Å; I441-Q443 PolarHBondContact O-N 3.06Å; I441-L444 PolarHBondContact O-N 3.07Å; I441-L445 HydrophobicContact CG2-CD1 3.79Å; I441-L445 HydrophobicContact CG2-CG 4.14Å; I441-L445 WeakPolarHBondContact O-CB 3.12Å; I441-L445 VanDerWaalsContact O-CG 3.27Å; I441-L445 WeakPolarHBondContact O-CG 3.36Å; I441-L445 PolarHBondContact O-N 3.01Å |
| 442 | Q | 80.8 | Confident | 75.1 | Confident | 102 Ų | 102 | 70.4 Ų | 70.4 | 48% | 0.477 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 178.9 | -65.6 | -56.9 | -38 | 0 | 0 | 112.2 | K440 A446 | K440-Q442 VanDerWaalsContact C-N 3.26Å; K440-Q442 PolarHBondContact O-N 3.19Å; K440-Q442 VanDerWaalsContact O-N 3.17Å; Q442-A446 WeakPolarHBondContact O-CB 3.49Å; Q442-A446 PolarHBondContact O-N 3.42Å |
| 443 | Q | 83.4 | Confident | 76.6 | Confident | 133 Ų | 133 | 68.8 Ų | 68.8 | 62% | 0.621 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.6 | -40.4 | 174.7 | -63.5 | 176.6 | -3.9 | 0 | 0 | 111.3 | K440 I441 A446 K447 | K440-Q443 CarbonylContact O-C 3.04Å; K440-Q443 WeakPolarHBondContact O-CA 3.5Å; K440-Q443 WeakPolarHBondContact O-CB 3.18Å; K440-Q443 PolarHBondContact O-N 2.59Å; I441-Q443 VanDerWaalsContact C-N 3.34Å; I441-Q443 PolarHBondContact O-N 3.06Å; Q443-A446 PolarHBondContact O-N 2.68Å; Q443-K447 WeakPolarHBondContact O-CB 3.48Å; Q443-K447 PolarHBondContact O-N 2.97Å |
| 444 | L | 87.5 | Confident | 77.8 | Confident | 19 Ų | 19 | 73.1 Ų | 73.1 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 175.9 | -66.1 | -179.6 | 0 | 0 | 0 | 111.3 | F423 E426 F427 L437 K440 I441 A446 K447 Y448 | F423-L444 HydrophobicContact CD2-CB 4.3Å; F423-L444 HydrophobicContact CE2-CB 3.88Å; E426-L444 HydrophobicContact CB-CD1 4.02Å; E426-L444 HydrophobicContact CB-CD2 4.46Å; E426-L444 HydrophobicContact CG-CD1 4.34Å; E426-L444 HydrophobicContact CG-CD2 3.93Å; F427-L444 HydrophobicContact CZ-CD1 4.31Å; L437-L444 HydrophobicContact CD1-CD1 4.01Å; K440-L444 HydrophobicContact CB-CG 4.48Å; K440-L444 WeakPolarHBondContact O-CG 3.49Å; K440-L444 PolarHBondContact O-N 3.07Å; I441-L444 PolarHBondContact O-N 3.07Å; L444-A446 VanDerWaalsContact C-N 3.26Å; L444-A446 PolarHBondContact O-N 3.37Å; L444-K447 WeakPolarHBondContact O-CB 3.39Å; L444-K447 PolarHBondContact O-N 3.07Å; L444-K447 VanDerWaalsContact O-N 3.16Å; L444-Y448 HydrophobicContact CD2-CE2 4.4Å; L444-Y448 WeakPolarHBondContact O-CD2 3.19Å; L444-Y448 PolarHBondContact O-N 3.23Å |
| 445 | L | 88.9 | Confident | 79 | Confident | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57 | -43.3 | 174.3 | -75.3 | 174.1 | 0 | 0 | 0 | 110.8 | I381 I419 F423 I441 T449 | I381-L445 HydrophobicContact CD1-CD1 3.89Å; I381-L445 HydrophobicContact CD1-CD2 3.87Å; I381-L445 HydrophobicContact CG2-CD2 4.34Å; I419-L445 HydrophobicContact CD1-CD2 4.06Å; I419-L445 HydrophobicContact CG2-CD2 4.21Å; F423-L445 HydrophobicContact CD2-CD2 4.38Å; F423-L445 HydrophobicContact CE2-CD2 3.82Å; F423-L445 HydrophobicContact CE2-CG 4.12Å; F423-L445 HydrophobicContact CZ-CD2 4.01Å; F423-L445 HydrophobicContact CZ-CG 4.46Å; I441-L445 HydrophobicContact CG2-CD1 3.79Å; I441-L445 HydrophobicContact CG2-CG 4.14Å; I441-L445 WeakPolarHBondContact O-CB 3.12Å; I441-L445 VanDerWaalsContact O-CG 3.27Å; I441-L445 WeakPolarHBondContact O-CG 3.36Å; I441-L445 PolarHBondContact O-N 3.01Å; L445-T449 PolarHBondContact O-N 3.01Å; L445-T449 PolarHBondContact O-OG1 3.07Å |
| 446 | A | 86.5 | Confident | 80 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 45% | 0.446 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.3 | -48.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q442 Q443 L444 Y448 T449 | Q442-A446 WeakPolarHBondContact O-CB 3.49Å; Q442-A446 PolarHBondContact O-N 3.42Å; Q443-A446 PolarHBondContact O-N 2.68Å; L444-A446 VanDerWaalsContact C-N 3.26Å; L444-A446 PolarHBondContact O-N 3.37Å; A446-Y448 VanDerWaalsContact C-N 3.3Å; A446-Y448 PolarHBondContact O-N 2.88Å; A446-T449 WeakPolarHBondContact O-CB 3.45Å; A446-T449 PolarHBondContact O-N 3.37Å |
| 447 | K | 90.5 | Very high | 79.8 | Confident | 133 Ų | 133 | 70.5 Ų | 70.5 | 58% | 0.578 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -56.5 | -40.3 | 178.9 | 178.4 | -175.2 | 171.6 | -169.4 | 0 | 113.1 | E426 Q443 L444 | E426-K447 IonicContact OE1-NZ 3.66Å; E426-K447 PolarHBondContact OE1-NZ 2.9Å; Q443-K447 WeakPolarHBondContact O-CB 3.48Å; Q443-K447 PolarHBondContact O-N 2.97Å; L444-K447 WeakPolarHBondContact O-CB 3.39Å; L444-K447 PolarHBondContact O-N 3.07Å; L444-K447 VanDerWaalsContact O-N 3.16Å |
| 448 | Y | 92.9 | Very high | 79.2 | Confident | 18 Ų | 18 | 74 Ų | 74 | 7% | 0.071 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 7.7 | -176.2 | -69.8 | -74.7 | 0 | 0 | 0 | 113.9 | I419 N420 Q422 F423 E426 L444 A446 | I419-Y448 CarbonylContact C-O 3.6Å; I419-Y448 WeakPolarHBondContact CA-O 3.28Å; I419-Y448 WeakPolarHBondContact CB-O 3.47Å; N420-Y448 PolarHBondContact N-O 2.87Å; N420-Y448 WeakPolarHBondContact OD1-CD1 3.26Å; Q422-Y448 HydrophobicContact CB-CD1 3.98Å; Q422-Y448 HydrophobicContact CB-CE1 3.6Å; F423-Y448 HydrophobicContact CB-CD2 4.16Å; F423-Y448 HydrophobicContact CB-CG 4.01Å; F423-Y448 AromaticContact CD2-CD2 3.93Å; F423-Y448 HydrophobicContact CD2-CD2 3.93Å; F423-Y448 HydrophobicContact CD2-CG 4.43Å; E426-Y448 HydrophobicContact CG-CE2 3.54Å; E426-Y448 WeakPolarHBondContact CG-OH 3.49Å; E426-Y448 PolarHBondContact OE1-OH 2.8Å; L444-Y448 HydrophobicContact CD2-CE2 4.4Å; L444-Y448 WeakPolarHBondContact O-CD2 3.19Å; L444-Y448 PolarHBondContact O-N 3.23Å; A446-Y448 VanDerWaalsContact C-N 3.3Å; A446-Y448 PolarHBondContact O-N 2.88Å |
| 449 | T | 92.5 | Very high | 77.8 | Confident | 35 Ų | 35 | 70.7 Ų | 70.7 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -72.2 | 130.4 | 176.6 | -66.2 | 0 | 0 | 0 | 0 | 111 | R417 V418 L445 A446 S451 V455 | R417-T449 VanDerWaalsContact CD-OG1 3.28Å; R417-T449 WeakPolarHBondContact CD-OG1 3.24Å; R417-T449 HydrophobicContact CG-CG2 4.02Å; R417-T449 VanDerWaalsContact CG-OG1 3.27Å; R417-T449 WeakPolarHBondContact CG-OG1 3.15Å; R417-T449 PolarHBondContact NH1-OG1 3.31Å; V418-T449 CarbonylContact O-C 3.57Å; V418-T449 VanDerWaalsContact O-CA 3.3Å; V418-T449 WeakPolarHBondContact O-CA 3.39Å; L445-T449 PolarHBondContact O-N 3.01Å; L445-T449 PolarHBondContact O-OG1 3.07Å; A446-T449 WeakPolarHBondContact O-CB 3.45Å; A446-T449 PolarHBondContact O-N 3.37Å; T449-S451 WeakPolarHBondContact CG2-OG 3.43Å; T449-V455 HydrophobicContact CG2-CG2 4.2Å |
| 450 | I | 92.1 | Very high | 76.3 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | trans | -112.8 | -10.9 | 178.4 | 58.4 | 170.1 | 0 | 0 | 0 | 113 | S384 L386 L389 V418 N420 | S384-I450 VanDerWaalsContact O-CD1 3.31Å; S384-I450 WeakPolarHBondContact O-CD1 3.47Å; L386-I450 HydrophobicContact CD1-CB 4.17Å; L386-I450 HydrophobicContact CD1-CG2 4.36Å; L389-I450 VanDerWaalsContact CD2-O 3.26Å; L389-I450 WeakPolarHBondContact CD2-O 3.42Å; V418-I450 HydrophobicContact CB-CG1 4.11Å; V418-I450 HydrophobicContact CG1-CD1 3.9Å; V418-I450 HydrophobicContact CG1-CG1 3.75Å; V418-I450 WeakPolarHBondContact O-CG1 3.41Å; V418-I450 PolarHBondContact O-N 3.27Å; N420-I450 HydrophobicContact CB-CG2 3.97Å | ||
| 451 | S | 89.7 | Confident | 73.9 | Confident | 14 Ų | 14 | 72.8 Ų | 72.8 | 10% | 0.098 | 38% | 0.378 | C | S | . | . | trans | -66.3 | 132.1 | 174.6 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | V418 T449 W453 | V418-S451 PolarHBondContact N-OG 2.82Å; V418-S451 PolarHBondContact O-N 3.44Å; T449-S451 WeakPolarHBondContact CG2-OG 3.43Å; S451-W453 VanDerWaalsContact CB-CE2 3.44Å | ||
| 452 | N | 84.5 | Confident | 71.2 | Confident | 100 Ų | 100 | 77.6 Ų | 77.6 | 54% | 0.535 | 41% | 0.408 | S | S | . | . | trans | -94.5 | 10 | 179.9 | 72.3 | -24.4 | 0 | 0 | 0 | 114.6 | Q393 | Q393-N452 PolarHBondContact NE2-ND2 3.02Å; Q393-N452 PolarHBondContact NE2-OD1 3.35Å | ||
| 453 | W | 86.4 | Confident | 68.7 | Low | 39 Ų | 39 | 76.6 Ų | 76.6 | 15% | 0.148 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -101.7 | 161.1 | 172.3 | 51.2 | 81.9 | 0 | 0 | 0 | 110.8 | L389 A411 R412 L416 V418 S451 V455 | L389-W453 HydrophobicContact CD1-CH2 3.69Å; L389-W453 HydrophobicContact CD1-CZ3 4.1Å; L389-W453 HydrophobicContact CD2-CZ3 4.43Å; L389-W453 HydrophobicContact CG-CH2 4.42Å; L389-W453 HydrophobicContact CG-CZ3 4.37Å; A411-W453 HydrophobicContact CB-CZ2 4.45Å; R412-W453 HydrophobicContact CB-CD2 4.15Å; R412-W453 HydrophobicContact CB-CE3 4.06Å; R412-W453 HydrophobicContact CB-CH2 3.82Å; R412-W453 HydrophobicContact CB-CZ2 3.94Å; R412-W453 HydrophobicContact CB-CZ3 3.9Å; R412-W453 HydrophobicContact CG-CD2 3.85Å; R412-W453 HydrophobicContact CG-CE3 3.66Å; R412-W453 HydrophobicContact CG-CG 4.41Å; R412-W453 HydrophobicContact CG-CH2 4.35Å; R412-W453 HydrophobicContact CG-CZ3 3.94Å; L416-W453 PolarHBondContact O-NE1 3.23Å; V418-W453 HydrophobicContact CG2-CH2 3.98Å; V418-W453 HydrophobicContact CG2-CZ2 3.52Å; S451-W453 VanDerWaalsContact CB-CE2 3.44Å; W453-V455 PolarHBondContact O-N 3.15Å |
| 454 | E | 81.3 | Confident | 65.9 | Low | 177 Ų | 177 | 80.3 Ų | 80.3 | 83% | 0.827 | 42% | 0.417 | S | S | * | . | trans | -60.6 | 113.2 | 171.9 | -168.8 | -180 | 179.5 | 0 | 0 | 109.5 | K456 | E454-K456 PolarHBondContact O-N 3.34Å; E454-K456 VanDerWaalsContact O-N 3.09Å | ||
| 455 | V | 79.7 | Confident | 63 | Low | 34 Ų | 34 | 83.8 Ų | 83.8 | 21% | 0.206 | 43% | 0.433 | C | S | . | . | trans | -69.6 | 108.3 | 175.2 | 176.7 | 0 | 0 | 0 | 0 | 107.1 | G415 R417 T449 W453 A457 | G415-V455 CarbonylContact O-C 3.47Å; G415-V455 WeakPolarHBondContact O-CA 3.47Å; R417-V455 HydrophobicContact CB-CG1 3.72Å; R417-V455 HydrophobicContact CB-CG2 4.27Å; R417-V455 HydrophobicContact CG-CG1 4.3Å; R417-V455 HydrophobicContact CG-CG2 4.27Å; T449-V455 HydrophobicContact CG2-CG2 4.2Å; W453-V455 PolarHBondContact O-N 3.15Å; V455-A457 PolarHBondContact O-N 3.14Å | ||
| 456 | K | 72.5 | Confident | 60.2 | Low | 144 Ų | 144 | 89.5 Ų | 89.5 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | trans | -60.3 | 114.4 | 174 | -70 | -176.9 | 180 | 177.3 | 0 | 106.8 | G415 E454 R458 | G415-K456 PolarHBondContact O-N 3.41Å; E454-K456 PolarHBondContact O-N 3.34Å; E454-K456 VanDerWaalsContact O-N 3.09Å; K456-R458 PolarHBondContact O-N 2.77Å | ||
| 457 | A | 52.5 | Low | 57.3 | Low | 90 Ų | 90 | 94 Ų | 94 | 74% | 0.744 | 48% | 0.484 | S | S | * | . | trans | -49.1 | 138.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109 | V455 A459 | V455-A457 PolarHBondContact O-N 3.14Å; A457-A459 PolarHBondContact O-N 3.47Å | ||
| 458 | R | 47.8 | Very low | 54.3 | Low | 87 Ų | 87 | 94.3 Ų | 94.3 | 33% | 0.328 | 49% | 0.492 | S | S | . | . | trans | -43 | 112.5 | 174.4 | -84.3 | 178.9 | 163.2 | -175 | -7.1 | 107.5 | L343 I381 K456 I460 | L343-R458 VanDerWaalsContact CD2-CZ 3.43Å; I381-R458 VanDerWaalsContact CD1-NH2 3.3Å; K456-R458 PolarHBondContact O-N 2.77Å; R458-I460 HydrophobicContact CB-CG1 4.17Å; R458-I460 PolarHBondContact O-N 2.97Å | ||
| 459 | A | 26.7 | Very low | 51.1 | Low | 70 Ų | 70 | 100.6 Ų | 100.6 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | trans | -67.4 | 70.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 106 | A457 K461 | A457-A459 PolarHBondContact O-N 3.47Å; A459-K461 PolarHBondContact O-N 3.28Å | ||
| 460 | I | 27.6 | Very low | 47.8 | Very low | 116 Ų | 116 | 103.4 Ų | 103.4 | 60% | 0.595 | 55% | 0.545 | S | S | * | . | -58.1 | 99.6 | 129.4 | -47.9 | 178.5 | 0 | 0 | 0 | 100 | R458 V462 | R458-I460 HydrophobicContact CB-CG1 4.17Å; R458-I460 PolarHBondContact O-N 2.97Å; I460-V462 HydrophobicContact CB-CG2 4.3Å; I460-V462 HydrophobicContact CG2-CG2 3.74Å; I460-V462 PolarHBondContact O-N 3.04Å | |||
| 461 | K | 25 | Very low | 44.7 | Very low | 123 Ų | 123 | 109.9 Ų | 109.9 | 54% | 0.535 | 58% | 0.579 | S | S | . | * | trans | -56.7 | 79.2 | 146.9 | -79.4 | -173.5 | 169.1 | -168.8 | 0 | 104.2 | A459 E463 E465 | A459-K461 PolarHBondContact O-N 3.28Å; K461-E463 HydrophobicContact CB-CG 3.92Å; K461-E463 HydrophobicContact CD-CG 4.4Å; K461-E463 PolarHBondContact O-N 2.92Å; K461-E465 IonicContact NZ-OE1 3.93Å; K461-E465 PolarHBondContact NZ-OE1 2.75Å; K461-E465 IonicContact NZ-OE2 3.02Å; K461-E465 PolarHBondContact NZ-OE2 3.35Å | ||
| 462 | V | 26.4 | Very low | 41.6 | Very low | 115 Ų | 115 | 115.8 Ų | 115.8 | 70% | 0.697 | 61% | 0.61 | S | S | * | * | trans | -62.6 | 93.6 | 131.7 | -179.1 | 0 | 0 | 0 | 0 | 98.4 | I460 K464 | I460-V462 HydrophobicContact CB-CG2 4.3Å; I460-V462 HydrophobicContact CG2-CG2 3.74Å; I460-V462 PolarHBondContact O-N 3.04Å; V462-K464 VanDerWaalsContact C-N 3.28Å; V462-K464 PolarHBondContact O-N 2.84Å | ||
| 463 | E | 28 | Very low | 38.9 | Very low | 81 Ų | 81 | 118.8 Ų | 118.8 | 38% | 0.379 | 63% | 0.625 | S | S | . | * | trans | -48.3 | 99.4 | -168.8 | -81.1 | 168.3 | 172.8 | 0 | 0 | 108.1 | K461 E465 K713 | K461-E463 HydrophobicContact CB-CG 3.92Å; K461-E463 HydrophobicContact CD-CG 4.4Å; K461-E463 PolarHBondContact O-N 2.92Å; E463-E465 HydrophobicContact CB-CB 3.98Å; E463-E465 HydrophobicContact CG-CB 4.15Å; E463-E465 PolarHBondContact O-N 3.33Å; E463-K713 IonicContact OE1-NZ 2.78Å; E463-K713 PolarHBondContact OE1-NZ 2.93Å; E463-K713 IonicContact OE2-NZ 2.9Å; E463-K713 PolarHBondContact OE2-NZ 2.91Å | ||
| 464 | K | 25.3 | Very low | 36.1 | Very low | 211 Ų | 211 | 122.9 Ų | 122.9 | 92% | 0.917 | 65% | 0.65 | S | S | * | * | trans | -68.7 | 58.7 | 132.9 | -76.2 | -171.7 | 173.3 | -174.5 | 0 | 106.6 | V462 | V462-K464 VanDerWaalsContact C-N 3.28Å; V462-K464 PolarHBondContact O-N 2.84Å | ||
| 465 | E | 26.4 | Very low | 33.4 | Very low | 91 Ų | 91 | 121.7 Ų | 121.7 | 43% | 0.425 | 65% | 0.65 | S | S | . | * | trans | -134.9 | 43.1 | 157.8 | -79.2 | -176.7 | 169.9 | 0 | 0 | 106.1 | K461 E463 | K461-E465 IonicContact NZ-OE1 3.93Å; K461-E465 PolarHBondContact NZ-OE1 2.75Å; K461-E465 IonicContact NZ-OE2 3.02Å; K461-E465 PolarHBondContact NZ-OE2 3.35Å; E463-E465 HydrophobicContact CB-CB 3.98Å; E463-E465 HydrophobicContact CG-CB 4.15Å; E463-E465 PolarHBondContact O-N 3.33Å | ||
| 466 | V | 29.9 | Very low | 30.8 | Very low | 121 Ų | 121 | 123.1 Ų | 123.1 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -93.2 | -5.5 | 155.2 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 467 | N | 26.5 | Very low | 28.6 | Very low | 149 Ų | 149 | 124.3 Ų | 124.3 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -113.8 | 15.3 | -178.1 | -72.2 | -5.7 | 0 | 0 | 0 | 114.8 | ||
| 468 | N | 25.8 | Very low | 27.6 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | trans | -155.7 | 60.3 | 171.1 | -88.2 | -26.8 | 0 | 0 | 0 | 110.1 | P470 | N468-P470 WeakPolarHBondContact O-CD 3.46Š| ||
| 469 | L | 26 | Very low | 26.7 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | trans | -70 | 115.8 | 140 | -83.7 | 150.9 | 0 | 0 | 0 | 104 | L471 | L469-L471 VanDerWaalsContact C-N 3.26Å; L469-L471 PolarHBondContact O-N 3.08Å | ||
| 470 | P | 23.6 | Very low | 27 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 61% | 0.61 | 72% | 0.721 | S | S | * | * | trans | -59 | 111.2 | 151.6 | 16.7 | -6.9 | 0 | 0 | 0 | 103.4 | N468 N472 | N468-P470 WeakPolarHBondContact O-CD 3.46Å; P470-N472 PolarHBondContact O-N 3.42Å | ||
| 471 | L | 26.4 | Very low | 27.6 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | trans | -48.4 | 99.9 | 140 | -71.3 | 167.6 | 0 | 0 | 0 | 102.4 | L469 D473 | L469-L471 VanDerWaalsContact C-N 3.26Å; L469-L471 PolarHBondContact O-N 3.08Å; L471-D473 PolarHBondContact O-N 3.26Å | ||
| 472 | N | 26.1 | Very low | 28.4 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | trans | -63.2 | 90.6 | 162.5 | -83.7 | -11.9 | 0 | 0 | 0 | 103.1 | P470 D474 | P470-N472 PolarHBondContact O-N 3.42Å; N472-D474 PolarHBondContact O-N 2.97Å | ||
| 473 | D | 26.2 | Very low | 29.6 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 87% | 0.866 | 72% | 0.721 | S | S | * | * | trans | -64 | 70.3 | 160.2 | -160.3 | 15.4 | 0 | 0 | 0 | 105.2 | L471 | L471-D473 PolarHBondContact O-N 3.26Š| ||
| 474 | D | 27.8 | Very low | 30.7 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | trans | -143.5 | 81.9 | 177.6 | -132.9 | -14.1 | 0 | 0 | 0 | 107.4 | N472 | N472-D474 PolarHBondContact O-N 2.97Š| ||
| 475 | N | 25.6 | Very low | 32.1 | Very low | 153 Ų | 153 | 131 Ų | 131 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 67.1 | 90.5 | 151.4 | -63.2 | -52.1 | 0 | 0 | 0 | 117.7 | ||
| 476 | G | 25.4 | Very low | 33.8 | Very low | 63 Ų | 63 | 128.8 Ų | 128.8 | 65% | 0.649 | 67% | 0.674 | S | S | * | * | trans | 158.7 | 99.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q478 | G476-Q478 PolarHBondContact O-N 3.41Š| ||
| 477 | D | 26.7 | Very low | 35.1 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 90% | 0.904 | 67% | 0.673 | S | S | * | * | trans | -46.3 | 88.7 | 158.4 | -70.7 | -46.7 | 0 | 0 | 0 | 109.8 | E479 | D477-E479 PolarHBondContact O-N 3.49Å; D477-E479 VanDerWaalsContact O-N 3.15Å | ||
| 478 | Q | 29.9 | Very low | 36.8 | Very low | 191 Ų | 191 | 123.5 Ų | 123.5 | 89% | 0.893 | 65% | 0.649 | S | S | * | * | trans | -83.5 | 83.6 | 161.4 | -75.4 | -170.2 | -2 | 0 | 0 | 105.6 | G476 M480 | G476-Q478 PolarHBondContact O-N 3.41Å; Q478-M480 PolarHBondContact O-N 2.91Å; Q478-M480 VanDerWaalsContact O-N 3.14Å | ||
| 479 | E | 29.2 | Very low | 39 | Very low | 163 Ų | 163 | 117 Ų | 117 | 76% | 0.762 | 61% | 0.614 | S | S | * | * | trans | -32.5 | 122.8 | 157 | -81.4 | -175.1 | 133.9 | 0 | 0 | 108.1 | D477 M481 | D477-E479 PolarHBondContact O-N 3.49Å; D477-E479 VanDerWaalsContact O-N 3.15Å; E479-M481 VanDerWaalsContact C-N 3.35Å; E479-M481 PolarHBondContact O-N 2.73Å | ||
| 480 | M | 32.9 | Very low | 41.3 | Very low | 158 Ų | 158 | 110.6 Ų | 110.6 | 78% | 0.778 | 58% | 0.581 | S | S | * | * | trans | -42.2 | 106.3 | 163.7 | -91.4 | -175.4 | -73 | 0 | 0 | 107.2 | Q478 R482 | Q478-M480 PolarHBondContact O-N 2.91Å; Q478-M480 VanDerWaalsContact O-N 3.14Å; M480-R482 PolarHBondContact O-N 2.9Å | ||
| 481 | M | 39.9 | Very low | 44.2 | Very low | 123 Ų | 123 | 106.1 Ų | 106.1 | 61% | 0.606 | 55% | 0.552 | S | S | * | * | trans | -60.9 | 106.2 | -177.3 | -84.6 | -148.4 | -165.4 | 0 | 0 | 107.3 | E479 M483 P493 | E479-M481 VanDerWaalsContact C-N 3.35Å; E479-M481 PolarHBondContact O-N 2.73Å; M481-M483 PolarHBondContact O-N 2.69Å; M481-P493 HydrophobicContact CB-CB 3.66Å; M481-P493 HydrophobicContact CB-CG 4.04Å; M481-P493 HydrophobicContact CG-CB 4.1Å; M481-P493 HydrophobicContact SD-CB 3.22Å; M481-P493 WeakPolarHBondContact SD-CB 3.4Å; M481-P493 HydrophobicContact SD-CG 4.48Å | ||
| 482 | R | 42 | Very low | 47 | Very low | 190 Ų | 190 | 99.1 Ų | 99.1 | 72% | 0.717 | 52% | 0.516 | S | S | * | . | trans | -53.4 | 110.3 | -175.4 | -74.9 | 179.4 | 174.3 | 162.3 | -0.2 | 109.4 | M480 I484 | M480-R482 PolarHBondContact O-N 2.9Å; R482-I484 HydrophobicContact CB-CG1 4.43Å; R482-I484 PolarHBondContact O-N 2.98Å; R482-I484 VanDerWaalsContact O-N 3.11Å | ||
| 483 | M | 51.2 | Low | 49.6 | Very low | 101 Ų | 101 | 93.6 Ų | 93.6 | 50% | 0.498 | 49% | 0.487 | S | S | . | . | trans | -73.4 | 99.6 | 170.8 | -75.7 | -166.2 | -106.6 | 0 | 0 | 108.1 | M481 V490 P493 P655 | M481-M483 PolarHBondContact O-N 2.69Å; M483-V490 HydrophobicContact CB-CG1 3.81Å; M483-V490 HydrophobicContact CG-CG1 4.02Å; M483-V490 HydrophobicContact SD-CG1 4.33Å; M483-P493 HydrophobicContact CG-CG 4.34Å; M483-P655 HydrophobicContact CE-CB 4.34Å | ||
| 484 | I | 52.5 | Low | 52.5 | Low | 59 Ų | 59 | 90 Ų | 90 | 30% | 0.303 | 47% | 0.465 | S | S | . | . | trans | -90.2 | 114.9 | 176.1 | -52.9 | -176.1 | 0 | 0 | 0 | 108.3 | R482 K486 V498 N499 | R482-I484 HydrophobicContact CB-CG1 4.43Å; R482-I484 PolarHBondContact O-N 2.98Å; R482-I484 VanDerWaalsContact O-N 3.11Å; I484-K486 HydrophobicContact CG2-CG 4.12Å; I484-V498 HydrophobicContact CB-CG1 3.63Å; I484-V498 HydrophobicContact CD1-CG1 3.81Å; I484-V498 HydrophobicContact CG1-CG1 3.66Å; I484-N499 VanDerWaalsContact CD1-OD1 3.28Å; I484-N499 WeakPolarHBondContact CD1-OD1 3.07Å | ||
| 485 | M | 55.3 | Low | 55.4 | Low | 50 Ų | 50 | 84.2 Ų | 84.2 | 25% | 0.246 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 124.2 | 171.1 | -161.2 | -166.3 | -150.4 | 0 | 0 | 109.1 | G488 V490 S607 | M485-G488 WeakPolarHBondContact CE-O 3.33Å; M485-V490 HydrophobicContact CB-CG2 4.1Å; M485-V490 HydrophobicContact CG-CG2 4.13Å; M485-S607 WeakPolarHBondContact CE-O 3.35Å |
| 486 | K | 61.1 | Low | 58.5 | Low | 43 Ų | 43 | 85.2 Ų | 85.2 | 19% | 0.187 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.7 | 172.8 | -66.9 | 179.6 | 171.1 | 176.4 | 0 | 109.4 | I484 G488 A489 V498 N499 A501 T502 D537 | I484-K486 HydrophobicContact CG2-CG 4.12Å; K486-G488 PolarHBondContact O-N 3.07Å; K486-G488 VanDerWaalsContact O-N 3.16Å; K486-A489 PolarHBondContact N-O 3.09Å; K486-A489 PolarHBondContact O-N 3.21Å; K486-A489 VanDerWaalsContact O-O 3.08Å; K486-V498 VanDerWaalsContact CE-O 3.31Å; K486-V498 WeakPolarHBondContact CE-O 3.38Å; K486-V498 PolarHBondContact NZ-O 3.27Å; K486-N499 VanDerWaalsContact NZ-C 3.25Å; K486-N499 PolarHBondContact NZ-O 3.09Å; K486-A501 WeakPolarHBondContact CD-O 3.2Å; K486-T502 HydrophobicContact CB-CG2 3.57Å; K486-T502 HydrophobicContact CD-CG2 4Å; K486-T502 HydrophobicContact CG-CG2 4.46Å; K486-D537 IonicContact NZ-OD2 3.29Å; K486-D537 PolarHBondContact NZ-OD2 3.38Å |
| 487 | N | 57.9 | Low | 61.5 | Low | 132 Ų | 132 | 83.1 Ų | 83.1 | 71% | 0.706 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 26.2 | 179.5 | -63 | -18.4 | 0 | 0 | 0 | 115.5 | F511 | N487-F511 WeakPolarHBondContact O-CZ 3.48Š|
| 488 | G | 61.7 | Low | 64.3 | Low | 28 Ų | 28 | 76 Ų | 76 | 29% | 0.289 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 6.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | M485 K486 F511 | M485-G488 WeakPolarHBondContact CE-O 3.33Å; K486-G488 PolarHBondContact O-N 3.07Å; K486-G488 VanDerWaalsContact O-N 3.16Å; G488-F511 WeakPolarHBondContact O-CE2 3.17Å |
| 489 | A | 70.9 | Confident | 66.9 | Low | 2 Ų | 2 | 72.9 Ų | 72.9 | 2% | 0.017 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 157 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K486 V503 F511 | K486-A489 PolarHBondContact N-O 3.09Å; K486-A489 PolarHBondContact O-N 3.21Å; K486-A489 VanDerWaalsContact O-O 3.08Å; A489-V503 HydrophobicContact CB-CB 3.72Å; A489-V503 HydrophobicContact CB-CG1 4.32Å; A489-V503 HydrophobicContact CB-CG2 3.67Å; A489-F511 HydrophobicContact CB-CB 4.35Å; A489-F511 HydrophobicContact CB-CD1 3.52Å; A489-F511 HydrophobicContact CB-CD2 4.05Å; A489-F511 HydrophobicContact CB-CE1 3.7Å; A489-F511 HydrophobicContact CB-CE2 4.22Å; A489-F511 HydrophobicContact CB-CG 3.71Å; A489-F511 HydrophobicContact CB-CZ 4.07Å |
| 490 | V | 76.1 | Confident | 69.8 | Low | 16 Ų | 16 | 71.7 Ų | 71.7 | 10% | 0.097 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.5 | 179.6 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | M483 M485 Q532 | M483-V490 HydrophobicContact CB-CG1 3.81Å; M483-V490 HydrophobicContact CG-CG1 4.02Å; M483-V490 HydrophobicContact SD-CG1 4.33Å; M485-V490 HydrophobicContact CB-CG2 4.1Å; M485-V490 HydrophobicContact CG-CG2 4.13Å; V490-Q532 PolarHBondContact O-NE2 3.41Å |
| 491 | V | 84.3 | Confident | 72.6 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 128.1 | 169.8 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | P493 S495 V498 A501 V503 L534 | V491-P493 VanDerWaalsContact O-CD 3.31Å; V491-P493 WeakPolarHBondContact O-CD 3.3Å; V491-S495 WeakPolarHBondContact CG1-OG 3.27Å; V491-V498 HydrophobicContact CG1-CG2 4.46Å; V491-A501 WeakPolarHBondContact CG2-O 3.48Å; V491-V503 HydrophobicContact CG2-CG2 4.17Å; V491-L534 HydrophobicContact CB-CD2 4.38Å; V491-L534 HydrophobicContact CG1-CD1 3.9Å; V491-L534 HydrophobicContact CG1-CD2 3.93Å; V491-L534 HydrophobicContact CG2-CD2 4.01Å |
| 492 | D | 84.3 | Confident | 75 | Confident | 15 Ų | 15 | 59.2 Ų | 59.2 | 8% | 0.08 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 122.5 | 179 | -166.9 | -62.1 | 0 | 0 | 0 | 109.7 | Q494 S495 K530 Q532 F545 | D492-Q494 PolarHBondContact O-N 3.44Å; D492-Q494 VanDerWaalsContact O-N 3.12Å; D492-Q494 WeakPolarHBondContact OD1-CB 3.37Å; D492-Q494 WeakPolarHBondContact OD1-CG 3.33Å; D492-Q494 PolarHBondContact OD1-N 2.65Å; D492-S495 VanDerWaalsContact O-CB 3.24Å; D492-S495 WeakPolarHBondContact O-CB 3.34Å; D492-S495 PolarHBondContact O-N 3.5Å; D492-S495 PolarHBondContact O-OG 3.26Å; D492-S495 VanDerWaalsContact O-OG 3.12Å; D492-K530 WeakPolarHBondContact OD2-CD 3.05Å; D492-K530 IonicContact OD2-NZ 3.38Å; D492-K530 PolarHBondContact OD2-NZ 3.02Å; D492-Q532 VanDerWaalsContact CB-OE1 3.24Å; D492-F545 HydrophobicContact CB-CD1 3.94Å; D492-F545 HydrophobicContact CB-CE1 3.59Å; D492-F545 HydrophobicContact CB-CZ 4.45Å |
| 493 | P | 81.6 | Confident | 77.3 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 14% | 0.143 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -58.9 | -27.1 | -175.7 | -28.1 | 37.1 | 0 | 0 | 0 | 115.1 | M481 M483 V491 S495 E496 V498 | M481-P493 HydrophobicContact CB-CB 3.66Å; M481-P493 HydrophobicContact CB-CG 4.04Å; M481-P493 HydrophobicContact CG-CB 4.1Å; M481-P493 HydrophobicContact SD-CB 3.22Å; M481-P493 WeakPolarHBondContact SD-CB 3.4Å; M481-P493 HydrophobicContact SD-CG 4.48Å; M483-P493 HydrophobicContact CG-CG 4.34Å; V491-P493 VanDerWaalsContact O-CD 3.31Å; V491-P493 WeakPolarHBondContact O-CD 3.3Å; P493-S495 PolarHBondContact O-N 2.87Å; P493-S495 VanDerWaalsContact O-N 3.13Å; P493-E496 PolarHBondContact O-N 2.9Å; P493-E496 VanDerWaalsContact O-N 3.1Å; P493-V498 VanDerWaalsContact CA-CG2 3.48Å; P493-V498 HydrophobicContact CB-CG2 4.06Å; P493-V498 HydrophobicContact CG-CG2 4.33Å |
| 494 | Q | 85.8 | Confident | 79.3 | Confident | 85 Ų | 85 | 46 Ų | 46 | 40% | 0.397 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -70.8 | -5.4 | 177.3 | -55 | -171.6 | -68.4 | 0 | 0 | 113.2 | D492 E496 F545 T558 | D492-Q494 PolarHBondContact O-N 3.44Å; D492-Q494 VanDerWaalsContact O-N 3.12Å; D492-Q494 WeakPolarHBondContact OD1-CB 3.37Å; D492-Q494 WeakPolarHBondContact OD1-CG 3.33Å; D492-Q494 PolarHBondContact OD1-N 2.65Å; Q494-E496 VanDerWaalsContact C-N 3.3Å; Q494-F545 HydrophobicContact CB-CE2 4.39Å; Q494-F545 HydrophobicContact CB-CZ 3.81Å; Q494-F545 WeakPolarHBondContact O-CE2 3.45Å; Q494-T558 HydrophobicContact CB-CG2 4.09Å |
| 495 | S | 89.6 | Confident | 81.2 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -79.4 | -14.4 | 171.9 | 92.2 | 0 | 0 | 0 | 0 | 112.9 | V491 D492 P493 L497 | V491-S495 WeakPolarHBondContact CG1-OG 3.27Å; D492-S495 VanDerWaalsContact O-CB 3.24Å; D492-S495 WeakPolarHBondContact O-CB 3.34Å; D492-S495 PolarHBondContact O-N 3.5Å; D492-S495 PolarHBondContact O-OG 3.26Å; D492-S495 VanDerWaalsContact O-OG 3.12Å; P493-S495 PolarHBondContact O-N 2.87Å; P493-S495 VanDerWaalsContact O-N 3.13Å; S495-L497 WeakPolarHBondContact O-CG 3.21Å; S495-L497 PolarHBondContact O-N 2.89Å; S495-L497 WeakPolarHBondContact OG-CB 3.4Å; S495-L497 PolarHBondContact OG-N 3.22Å; S495-L497 VanDerWaalsContact OG-N 3.15Å |
| 496 | E | 89.6 | Confident | 82.9 | Confident | 173 Ų | 173 | 45.9 Ų | 45.9 | 81% | 0.808 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 60.1 | 17.7 | -173.1 | -55.4 | 176.9 | 178.3 | 0 | 0 | 114.2 | P493 Q494 | P493-E496 PolarHBondContact O-N 2.9Å; P493-E496 VanDerWaalsContact O-N 3.1Å; Q494-E496 VanDerWaalsContact C-N 3.3Å |
| 497 | L | 89.9 | Confident | 84.2 | Confident | 20 Ų | 20 | 49.8 Ų | 49.8 | 11% | 0.105 | 25% | 0.254 | C | S | . | . | trans | -115.6 | 6.5 | -175.2 | -63.8 | 168.4 | 0 | 0 | 0 | 113.9 | S495 N499 K500 A501 L534 W543 T560 | S495-L497 WeakPolarHBondContact O-CG 3.21Å; S495-L497 PolarHBondContact O-N 2.89Å; S495-L497 WeakPolarHBondContact OG-CB 3.4Å; S495-L497 PolarHBondContact OG-N 3.22Å; S495-L497 VanDerWaalsContact OG-N 3.15Å; L497-N499 PolarHBondContact O-N 2.92Å; L497-N499 VanDerWaalsContact O-N 3.08Å; L497-K500 PolarHBondContact O-N 2.86Å; L497-A501 HydrophobicContact CB-CB 3.97Å; L497-A501 PolarHBondContact O-N 2.84Å; L497-L534 HydrophobicContact CB-CD1 4.32Å; L497-L534 HydrophobicContact CD1-CD1 3.89Å; L497-W543 HydrophobicContact CD1-CB 4.07Å; L497-W543 HydrophobicContact CD1-CD2 3.64Å; L497-W543 HydrophobicContact CD1-CE3 3.89Å; L497-W543 HydrophobicContact CD1-CG 3.71Å; L497-W543 HydrophobicContact CD2-CH2 4.48Å; L497-W543 HydrophobicContact CD2-CZ2 4.34Å; L497-T560 HydrophobicContact CD1-CG2 3.94Å | ||
| 498 | V | 83.7 | Confident | 85.6 | Confident | 18 Ų | 18 | 51 Ų | 51 | 11% | 0.109 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -44 | -176.6 | -174.5 | 0 | 0 | 0 | 0 | 112.5 | I484 K486 V491 P493 | I484-V498 HydrophobicContact CB-CG1 3.63Å; I484-V498 HydrophobicContact CD1-CG1 3.81Å; I484-V498 HydrophobicContact CG1-CG1 3.66Å; K486-V498 VanDerWaalsContact CE-O 3.31Å; K486-V498 WeakPolarHBondContact CE-O 3.38Å; K486-V498 PolarHBondContact NZ-O 3.27Å; V491-V498 HydrophobicContact CG1-CG2 4.46Å; P493-V498 VanDerWaalsContact CA-CG2 3.48Å; P493-V498 HydrophobicContact CB-CG2 4.06Å; P493-V498 HydrophobicContact CG-CG2 4.33Å |
| 499 | N | 85.2 | Confident | 86.7 | Confident | 126 Ų | 126 | 51.4 Ų | 51.4 | 67% | 0.674 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -7 | -177.7 | -66.1 | -35.8 | 0 | 0 | 0 | 114.6 | I484 K486 L497 | I484-N499 VanDerWaalsContact CD1-OD1 3.28Å; I484-N499 WeakPolarHBondContact CD1-OD1 3.07Å; K486-N499 VanDerWaalsContact NZ-C 3.25Å; K486-N499 PolarHBondContact NZ-O 3.09Å; L497-N499 PolarHBondContact O-N 2.92Å; L497-N499 VanDerWaalsContact O-N 3.08Å |
| 500 | K | 90.1 | Very high | 87.5 | Confident | 139 Ų | 139 | 55.4 Ų | 55.4 | 60% | 0.604 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | -10.5 | -169.6 | -62.6 | 178.6 | -176.8 | 171 | 0 | 114.6 | L497 D537 | L497-K500 PolarHBondContact O-N 2.86Å; K500-D537 PolarHBondContact O-N 3.26Å |
| 501 | A | 91.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 163.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K486 V491 L497 L534 Q535 D537 W543 | K486-A501 WeakPolarHBondContact CD-O 3.2Å; V491-A501 WeakPolarHBondContact CG2-O 3.48Å; L497-A501 HydrophobicContact CB-CB 3.97Å; L497-A501 PolarHBondContact O-N 2.84Å; A501-L534 HydrophobicContact CB-CB 4.15Å; A501-Q535 CarbonylContact C-O 3.5Å; A501-Q535 WeakPolarHBondContact CA-O 3.49Å; A501-Q535 VanDerWaalsContact CB-O 3.25Å; A501-Q535 WeakPolarHBondContact CB-O 3.37Å; A501-D537 WeakPolarHBondContact CA-OD1 3.42Å; A501-D537 PolarHBondContact N-OD2 3Å; A501-W543 HydrophobicContact CB-CZ3 4.26Å |
| 502 | T | 91 | Very high | 88.5 | Confident | 19 Ų | 19 | 56.4 Ų | 56.4 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 154.7 | 172.1 | 34.2 | 0 | 0 | 0 | 0 | 109.2 | K486 L504 L534 Q535 D537 | K486-T502 HydrophobicContact CB-CG2 3.57Å; K486-T502 HydrophobicContact CD-CG2 4Å; K486-T502 HydrophobicContact CG-CG2 4.46Å; T502-L504 PolarHBondContact O-N 3.07Å; T502-L534 CarbonylContact O-C 3.59Å; T502-L534 VanDerWaalsContact O-CA 3.31Å; T502-L534 WeakPolarHBondContact O-CA 3.43Å; T502-Q535 PolarHBondContact N-O 3.2Å; T502-Q535 PolarHBondContact O-N 3.37Å; T502-Q535 PolarHBondContact OG1-O 3.06Å; T502-D537 VanDerWaalsContact CG2-OD1 3.28Å; T502-D537 WeakPolarHBondContact CG2-OD1 3.46Å; T502-D537 PolarHBondContact N-OD1 3.19Å; T502-D537 PolarHBondContact OG1-OD1 3.09Å; T502-D537 VanDerWaalsContact OG1-OD1 3.12Å |
| 503 | V | 91.1 | Very high | 88.8 | Confident | 9 Ų | 9 | 55.9 Ų | 55.9 | 6% | 0.055 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 127.4 | 176.1 | -177 | 0 | 0 | 0 | 0 | 109.2 | A489 V491 F511 L534 | A489-V503 HydrophobicContact CB-CB 3.72Å; A489-V503 HydrophobicContact CB-CG1 4.32Å; A489-V503 HydrophobicContact CB-CG2 3.67Å; V491-V503 HydrophobicContact CG2-CG2 4.17Å; V503-F511 HydrophobicContact CB-CD1 4.16Å; V503-F511 HydrophobicContact CG1-CB 4.02Å; V503-F511 HydrophobicContact CG1-CD1 4.2Å; V503-L534 HydrophobicContact CG2-CD2 4.02Å |
| 504 | L | 92.9 | Very high | 89.3 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 145 | 180 | -171 | 71.4 | 0 | 0 | 0 | 110.2 | T502 M512 A533 Q535 A566 R570 | T502-L504 PolarHBondContact O-N 3.07Å; L504-M512 HydrophobicContact CD2-SD 4.36Å; L504-M512 WeakPolarHBondContact O-CB 3.21Å; L504-M512 PolarHBondContact O-N 3.48Å; L504-A533 HydrophobicContact CB-CB 3.97Å; L504-A533 HydrophobicContact CD2-CB 4.15Å; L504-A533 PolarHBondContact N-O 3.17Å; L504-Q535 HydrophobicContact CD1-CB 3.94Å; L504-Q535 HydrophobicContact CD1-CG 4.44Å; L504-A566 HydrophobicContact CD1-CB 3.96Å; L504-A566 HydrophobicContact CD2-CB 4.15Å; L504-R570 HydrophobicContact CD2-CG 3.55Å |
| 505 | K | 91.6 | Very high | 89.5 | Confident | 91 Ų | 91 | 51.2 Ų | 51.2 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -100.1 | 147.8 | 172.2 | -67.2 | 178.2 | 172.8 | -165.9 | 0 | 111.8 | G509 E510 F511 R570 | K505-G509 WeakPolarHBondContact CD-O 3.02Å; K505-E510 CarbonylContact C-O 3.56Å; K505-E510 WeakPolarHBondContact CA-O 3.03Å; K505-F511 HydrophobicContact CD-CE1 4.23Å; K505-F511 HydrophobicContact CG-CD1 3.85Å; K505-F511 HydrophobicContact CG-CE1 4.02Å; K505-R570 PolarHBondContact O-NE 3.34Å; K505-R570 PolarHBondContact O-NH2 3.09Å |
| 506 | D | 90.8 | Very high | 89.6 | Confident | 16 Ų | 16 | 51 Ų | 51 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | trans | -75.7 | -176.2 | 170.8 | 74.8 | 6.9 | 0 | 0 | 0 | 111.8 | K508 G509 E510 M512 W585 | D506-K508 PolarHBondContact O-N 3.23Å; D506-K508 WeakPolarHBondContact OD1-CA 3.21Å; D506-K508 WeakPolarHBondContact OD1-CB 3.44Å; D506-K508 PolarHBondContact OD1-N 2.69Å; D506-G509 PolarHBondContact O-N 2.96Å; D506-G509 PolarHBondContact OD1-N 3Å; D506-E510 PolarHBondContact N-O 3.13Å; D506-E510 PolarHBondContact OD1-N 3.32Å; D506-M512 HydrophobicContact CB-CG 3.88Å; D506-M512 HydrophobicContact CB-SD 3.98Å; D506-W585 PolarHBondContact OD2-NE1 2.87Å | ||
| 507 | E | 88.7 | Confident | 89.8 | Confident | 126 Ų | 126 | 43 Ų | 43 | 59% | 0.589 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17.6 | -178.8 | -58.1 | 81.9 | -175.4 | 0 | 0 | 113.4 | K574 | E507-K574 IonicContact OE1-NZ 3.87Å; E507-K574 PolarHBondContact OE1-NZ 2.98Å; E507-K574 VanDerWaalsContact OE1-NZ 3.1Å; E507-K574 IonicContact OE2-NZ 3.89Å; E507-K574 PolarHBondContact OE2-NZ 2.94Å |
| 508 | K | 86.8 | Confident | 90 | Very high | 158 Ų | 158 | 44.1 Ų | 44.1 | 69% | 0.687 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -2.6 | 177.7 | -63.9 | 179.4 | -178 | 173.7 | 0 | 112.8 | D506 | D506-K508 PolarHBondContact O-N 3.23Å; D506-K508 WeakPolarHBondContact OD1-CA 3.21Å; D506-K508 WeakPolarHBondContact OD1-CB 3.44Å; D506-K508 PolarHBondContact OD1-N 2.69Å |
| 509 | G | 86.5 | Confident | 90.4 | Very high | 36 Ų | 36 | 43.6 Ų | 43.6 | 37% | 0.371 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 87.8 | 6.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K505 D506 | K505-G509 WeakPolarHBondContact CD-O 3.02Å; D506-G509 PolarHBondContact O-N 2.96Å; D506-G509 PolarHBondContact OD1-N 3Å |
| 510 | E | 86.4 | Confident | 90.6 | Very high | 86 Ų | 86 | 39.1 Ų | 39.1 | 40% | 0.402 | 19% | 0.192 | S | C | . | . | trans | -80.6 | 141.6 | 177.2 | -65.6 | -72.6 | 149.5 | 0 | 0 | 110.3 | K505 D506 M512 | K505-E510 CarbonylContact C-O 3.56Å; K505-E510 WeakPolarHBondContact CA-O 3.03Å; D506-E510 PolarHBondContact N-O 3.13Å; D506-E510 PolarHBondContact OD1-N 3.32Å; E510-M512 PolarHBondContact O-N 3.44Å | ||
| 511 | F | 89.3 | Confident | 90.5 | Very high | 37 Ų | 37 | 32.7 Ų | 32.7 | 16% | 0.162 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -68.1 | 129.9 | 176.5 | -63.5 | -73.3 | 0 | 0 | 0 | 111 | N487 G488 A489 V503 K505 T513 | N487-F511 WeakPolarHBondContact O-CZ 3.48Å; G488-F511 WeakPolarHBondContact O-CE2 3.17Å; A489-F511 HydrophobicContact CB-CB 4.35Å; A489-F511 HydrophobicContact CB-CD1 3.52Å; A489-F511 HydrophobicContact CB-CD2 4.05Å; A489-F511 HydrophobicContact CB-CE1 3.7Å; A489-F511 HydrophobicContact CB-CE2 4.22Å; A489-F511 HydrophobicContact CB-CG 3.71Å; A489-F511 HydrophobicContact CB-CZ 4.07Å; V503-F511 HydrophobicContact CB-CD1 4.16Å; V503-F511 HydrophobicContact CG1-CB 4.02Å; V503-F511 HydrophobicContact CG1-CD1 4.2Å; K505-F511 HydrophobicContact CD-CE1 4.23Å; K505-F511 HydrophobicContact CG-CD1 3.85Å; K505-F511 HydrophobicContact CG-CE1 4.02Å; F511-T513 HydrophobicContact CB-CG2 4.05Å; F511-T513 PolarHBondContact O-N 2.94Å |
| 512 | M | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -81.4 | 74.3 | 177.2 | -63.8 | -170.9 | 75.3 | 0 | 0 | 110.1 | L504 D506 E510 Q532 A533 R570 F573 K574 W585 | L504-M512 HydrophobicContact CD2-SD 4.36Å; L504-M512 WeakPolarHBondContact O-CB 3.21Å; L504-M512 PolarHBondContact O-N 3.48Å; D506-M512 HydrophobicContact CB-CG 3.88Å; D506-M512 HydrophobicContact CB-SD 3.98Å; E510-M512 PolarHBondContact O-N 3.44Å; M512-Q532 WeakPolarHBondContact O-CA 3.46Å; M512-A533 HydrophobicContact CB-CB 3.89Å; M512-A533 PolarHBondContact O-N 2.96Å; M512-R570 HydrophobicContact CE-CB 4.05Å; M512-R570 HydrophobicContact CE-CG 4.15Å; M512-R570 HydrophobicContact SD-CB 4.12Å; M512-R570 HydrophobicContact SD-CG 3.53Å; M512-R570 VanDerWaalsContact SD-CG 3.53Å; M512-F573 VanDerWaalsContact C-CE2 3.47Å; M512-F573 HydrophobicContact CB-CD2 4.29Å; M512-F573 HydrophobicContact CB-CE1 4.32Å; M512-F573 HydrophobicContact CB-CE2 4.06Å; M512-F573 HydrophobicContact CB-CZ 4.1Å; M512-F573 HydrophobicContact CE-CB 3.89Å; M512-F573 HydrophobicContact CE-CD1 3.37Å; M512-F573 HydrophobicContact CE-CE1 4.02Å; M512-F573 HydrophobicContact CE-CG 3.7Å; M512-F573 WeakPolarHBondContact O-CE2 3.35Å; M512-K574 HydrophobicContact CE-CG 4.2Å; M512-W585 HydrophobicContact CB-CZ2 4.49Å; M512-W585 HydrophobicContact CG-CZ2 4.23Å | ||
| 513 | T | 90.7 | Very high | 89.4 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 136.5 | 176.3 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | F511 L531 Q532 Y605 | F511-T513 HydrophobicContact CB-CG2 4.05Å; F511-T513 PolarHBondContact O-N 2.94Å; T513-L531 CarbonylContact C-O 3.48Å; T513-L531 WeakPolarHBondContact CA-O 3.4Å; T513-Q532 WeakPolarHBondContact OG1-CG 3.4Å; T513-Q532 PolarHBondContact OG1-NE2 2.97Å; T513-Q532 VanDerWaalsContact OG1-NE2 3.1Å; T513-Y605 HydrophobicContact CG2-CD1 4.34Å; T513-Y605 HydrophobicContact CG2-CD2 4.5Å; T513-Y605 HydrophobicContact CG2-CE1 3.71Å; T513-Y605 HydrophobicContact CG2-CE2 3.91Å; T513-Y605 VanDerWaalsContact CG2-CZ 3.5Å; T513-Y605 PolarHBondContact OG1-OH 2.82Å |
| 514 | A | 90.8 | Very high | 89 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 141.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L516 K530 L531 Y577 W585 | A514-L516 HydrophobicContact CB-CD2 4.03Å; A514-K530 WeakPolarHBondContact O-CA 3.5Å; A514-L531 PolarHBondContact N-O 3.33Å; A514-L531 PolarHBondContact O-N 3.23Å; A514-Y577 HydrophobicContact CB-CD2 4.08Å; A514-Y577 HydrophobicContact CB-CE2 4.07Å; A514-W585 HydrophobicContact CB-CZ3 4.35Å |
| 515 | V | 90.2 | Very high | 88.7 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 5% | 0.048 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.5 | 168.9 | -179 | 0 | 0 | 0 | 0 | 106.7 | K530 L601 L603 | V515-K530 HydrophobicContact CG1-CG 4.39Å; V515-K530 HydrophobicContact CG2-CG 4.24Å; V515-L601 HydrophobicContact CG1-CD1 4.13Å; V515-L601 PolarHBondContact O-N 3.21Å; V515-L603 HydrophobicContact CB-CD1 3.54Å; V515-L603 HydrophobicContact CG1-CD1 4.25Å; V515-L603 HydrophobicContact CG2-CD1 3.33Å |
| 516 | L | 93.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 142.9 | -173.5 | -38.4 | 173.6 | 0 | 0 | 0 | 110 | A514 F528 Y529 Y577 K580 T581 F598 Y599 E600 | A514-L516 HydrophobicContact CB-CD2 4.03Å; L516-F528 CarbonylContact O-C 3.55Å; L516-F528 VanDerWaalsContact O-CA 3.32Å; L516-F528 WeakPolarHBondContact O-CA 3.14Å; L516-Y529 HydrophobicContact CD1-CD1 4.03Å; L516-Y529 PolarHBondContact N-O 3.47Å; L516-Y529 PolarHBondContact O-N 2.98Å; L516-Y577 HydrophobicContact CD2-CE2 4.27Å; L516-K580 HydrophobicContact CD1-CB 3.87Å; L516-T581 HydrophobicContact CD1-CG2 3.73Å; L516-T581 HydrophobicContact CD2-CG2 3.85Å; L516-T581 HydrophobicContact CG-CG2 4.44Å; L516-F598 HydrophobicContact CB-CB 3.67Å; L516-F598 HydrophobicContact CB-CD1 3.97Å; L516-F598 HydrophobicContact CB-CG 4.11Å; L516-F598 HydrophobicContact CD1-CB 4.1Å; L516-F598 HydrophobicContact CG-CB 4.49Å; L516-Y599 CarbonylContact C-O 3.59Å; L516-Y599 WeakPolarHBondContact CA-O 3.48Å; L516-E600 HydrophobicContact CD2-CB 3.83Å; L516-E600 HydrophobicContact CD2-CG 4.04Å |
| 517 | G | 92.8 | Very high | 88.8 | Confident | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 147.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y599 | G517-Y599 PolarHBondContact N-O 2.97Å; G517-Y599 PolarHBondContact O-N 2.53Å |
| 518 | M | 93.4 | Very high | 88.9 | Confident | 44 Ų | 44 | 29.8 Ų | 29.8 | 22% | 0.217 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 118.3 | 170.3 | -173.5 | 173.4 | 64.1 | 0 | 0 | 110.4 | S527 F598 | M518-S527 PolarHBondContact N-O 3.3Å; M518-S527 PolarHBondContact O-N 3.23Å; M518-F598 HydrophobicContact CB-CD1 3.55Å; M518-F598 HydrophobicContact CB-CE1 3.73Å; M518-F598 HydrophobicContact CB-CG 3.99Å; M518-F598 HydrophobicContact CB-CZ 4.31Å; M518-F598 HydrophobicContact CE-CD2 4.45Å; M518-F598 HydrophobicContact CE-CE2 3.97Å; M518-F598 HydrophobicContact CE-CZ 3.99Å; M518-F598 HydrophobicContact SD-CD2 4.49Å |
| 519 | V | 92.7 | Very high | 89.3 | Confident | 8 Ų | 8 | 22.9 Ų | 22.9 | 5% | 0.048 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.3 | 174.9 | -170.9 | 0 | 0 | 0 | 0 | 109.4 | L521 S525 T700 P715 | V519-L521 HydrophobicContact CG1-CD1 3.57Å; V519-S525 WeakPolarHBondContact CA-O 3.43Å; V519-T700 HydrophobicContact CB-CG2 4.32Å; V519-T700 WeakPolarHBondContact O-CG2 3.15Å; V519-P715 HydrophobicContact CG1-CB 4.48Å; V519-P715 HydrophobicContact CG1-CG 3.89Å |
| 520 | D | 89 | Confident | 89.5 | Confident | 31 Ų | 31 | 22.4 Ų | 22.4 | 17% | 0.166 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 96.9 | 170.9 | -176.1 | -30.2 | 0 | 0 | 0 | 107.4 | I522 K523 G524 S525 | D520-I522 PolarHBondContact O-N 2.97Å; D520-I522 WeakPolarHBondContact OD1-CB 3.22Å; D520-I522 PolarHBondContact OD1-N 2.9Å; D520-I522 VanDerWaalsContact OD1-N 3.07Å; D520-K523 HydrophobicContact CB-CB 4.23Å; D520-K523 PolarHBondContact O-N 3.28Å; D520-K523 PolarHBondContact OD1-N 3.16Å; D520-K523 WeakPolarHBondContact OD2-CD 3.45Å; D520-K523 WeakPolarHBondContact OD2-CE 3.34Å; D520-K523 WeakPolarHBondContact OD2-CG 3.12Å; D520-K523 IonicContact OD2-NZ 3.93Å; D520-K523 PolarHBondContact OD2-NZ 3.48Å; D520-G524 WeakPolarHBondContact O-CA 3.39Å; D520-G524 PolarHBondContact O-N 2.85Å; D520-S525 WeakPolarHBondContact CB-OG 3.48Å; D520-S525 PolarHBondContact N-O 3.48Å; D520-S525 PolarHBondContact O-N 3.36Å |
| 521 | L | 87.8 | Confident | 89.9 | Confident | 5 Ų | 5 | 18.3 Ų | 18.3 | 3% | 0.026 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -20.7 | -177.8 | -92 | 79.8 | 0 | 0 | 0 | 112.7 | V519 L696 T700 Y703 T714 P715 M717 | V519-L521 HydrophobicContact CG1-CD1 3.57Å; L521-L696 HydrophobicContact CB-CD1 3.48Å; L521-L696 VanDerWaalsContact CB-CD1 3.48Å; L521-L696 HydrophobicContact CD2-CD1 3.99Å; L521-L696 HydrophobicContact CG-CD1 4.33Å; L521-T700 HydrophobicContact CD1-CG2 4.47Å; L521-T700 WeakPolarHBondContact CD1-OG1 3.5Å; L521-Y703 HydrophobicContact CD1-CD2 4Å; L521-Y703 HydrophobicContact CD2-CE2 4.47Å; L521-T714 WeakPolarHBondContact O-CG2 3.46Å; L521-P715 HydrophobicContact CD1-CB 4.24Å; L521-P715 HydrophobicContact CG-CB 4.15Å; L521-M717 HydrophobicContact CD2-CB 4.42Å |
| 522 | I | 80.4 | Confident | 90.2 | Very high | 28 Ų | 28 | 16.9 Ų | 16.9 | 14% | 0.144 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -44.4 | 178 | -58.8 | 174.9 | 0 | 0 | 0 | 109.9 | Q2 L293 D520 G524 L696 | Q2-I522 HydrophobicContact CB-CG2 4.14Å; Q2-I522 HydrophobicContact CG-CG2 3.62Å; L293-I522 HydrophobicContact CD2-CD1 3.56Å; L293-I522 HydrophobicContact CD2-CG1 4.14Å; D520-I522 PolarHBondContact O-N 2.97Å; D520-I522 WeakPolarHBondContact OD1-CB 3.22Å; D520-I522 PolarHBondContact OD1-N 2.9Å; D520-I522 VanDerWaalsContact OD1-N 3.07Å; I522-G524 VanDerWaalsContact C-N 3.35Å; I522-L696 HydrophobicContact CD1-CD2 3.66Å; I522-L696 HydrophobicContact CG1-CD2 3.58Å |
| 523 | K | 79.3 | Confident | 90.3 | Very high | 131 Ų | 131 | 16.9 Ų | 16.9 | 57% | 0.57 | 8% | 0.084 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -16.5 | 177.7 | -64.9 | -178.6 | -164.5 | 133.4 | 0 | 113.2 | D520 S525 | D520-K523 HydrophobicContact CB-CB 4.23Å; D520-K523 PolarHBondContact O-N 3.28Å; D520-K523 PolarHBondContact OD1-N 3.16Å; D520-K523 WeakPolarHBondContact OD2-CD 3.45Å; D520-K523 WeakPolarHBondContact OD2-CE 3.34Å; D520-K523 WeakPolarHBondContact OD2-CG 3.12Å; D520-K523 IonicContact OD2-NZ 3.93Å; D520-K523 PolarHBondContact OD2-NZ 3.48Å; K523-S525 VanDerWaalsContact C-N 3.29Å |
| 524 | G | 82.8 | Confident | 90.6 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 3% | 0.031 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 9.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D520 I522 R550 T714 | D520-G524 WeakPolarHBondContact O-CA 3.39Å; D520-G524 PolarHBondContact O-N 2.85Å; I522-G524 VanDerWaalsContact C-N 3.35Å; G524-R550 PolarHBondContact O-NH1 2.77Å; G524-R550 PolarHBondContact O-NH2 3.06Å; G524-T714 WeakPolarHBondContact CA-OG1 3.14Å |
| 525 | S | 86.8 | Confident | 90.7 | Very high | 14 Ų | 14 | 20 Ų | 20 | 10% | 0.098 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 140.6 | 177.7 | 58.5 | 0 | 0 | 0 | 0 | 111.2 | D43 V519 D520 K523 | D43-S525 WeakPolarHBondContact OD2-CA 3.31Å; D43-S525 WeakPolarHBondContact OD2-CB 3.05Å; V519-S525 WeakPolarHBondContact CA-O 3.43Å; D520-S525 WeakPolarHBondContact CB-OG 3.48Å; D520-S525 PolarHBondContact N-O 3.48Å; D520-S525 PolarHBondContact O-N 3.36Å; K523-S525 VanDerWaalsContact C-N 3.29Å |
| 526 | N | 90.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 82.8 | 179.7 | -179.1 | 22.2 | 0 | 0 | 0 | 107.9 | D43 R550 I551 H708 P715 | D43-N526 VanDerWaalsContact OD2-C 3.27Å; D43-N526 PolarHBondContact OD2-N 3.05Å; N526-R550 WeakPolarHBondContact O-CA 3.43Å; N526-I551 PolarHBondContact O-N 2.64Å; N526-I551 VanDerWaalsContact OD1-CD1 3.31Å; N526-I551 WeakPolarHBondContact OD1-CD1 3.44Å; N526-H708 PolarHBondContact ND2-O 3.01Å; N526-P715 HydrophobicContact CB-CG 4.15Å |
| 527 | S | 92.3 | Very high | 90.8 | Very high | 11 Ų | 11 | 23.9 Ų | 23.9 | 8% | 0.077 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 147.4 | -162.8 | -51.6 | 0 | 0 | 0 | 0 | 112.6 | D43 M518 G549 | D43-S527 WeakPolarHBondContact CB-OG 3.33Å; D43-S527 PolarHBondContact OD2-OG 2.63Å; M518-S527 PolarHBondContact N-O 3.3Å; M518-S527 PolarHBondContact O-N 3.23Å; S527-G549 CarbonylContact C-O 3.48Å; S527-G549 VanDerWaalsContact CA-O 3.3Å; S527-G549 WeakPolarHBondContact CA-O 3.39Å |
| 528 | F | 92.7 | Very high | 90.7 | Very high | 15 Ų | 15 | 33.5 Ų | 33.5 | 7% | 0.066 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 158.4 | 169.1 | 75.2 | -89 | 0 | 0 | 0 | 111.6 | L516 K530 A547 W548 G549 I551 K653 | L516-F528 CarbonylContact O-C 3.55Å; L516-F528 VanDerWaalsContact O-CA 3.32Å; L516-F528 WeakPolarHBondContact O-CA 3.14Å; F528-K530 HydrophobicContact CD2-CG 4.14Å; F528-K530 HydrophobicContact CE2-CG 4.45Å; F528-A547 HydrophobicContact CE2-CB 4.13Å; F528-W548 WeakPolarHBondContact O-CA 3.4Å; F528-G549 VanDerWaalsContact CD1-O 3.27Å; F528-G549 WeakPolarHBondContact CD1-O 3.46Å; F528-G549 VanDerWaalsContact CE1-C 3.48Å; F528-G549 VanDerWaalsContact CE1-CA 3.47Å; F528-G549 PolarHBondContact N-O 2.89Å; F528-G549 PolarHBondContact O-N 2.94Å; F528-I551 HydrophobicContact CB-CD1 4.3Å; F528-I551 HydrophobicContact CB-CG1 3.84Å; F528-I551 HydrophobicContact CD1-CG1 3.98Å; F528-I551 HydrophobicContact CG-CG1 4.39Å; F528-K653 HydrophobicContact CB-CD 4.29Å; F528-K653 HydrophobicContact CD1-CD 4.07Å; F528-K653 VanDerWaalsContact CD1-CE 3.43Å; F528-K653 HydrophobicContact CD2-CD 3.92Å; F528-K653 HydrophobicContact CE1-CD 4.46Å; F528-K653 VanDerWaalsContact CE1-CE 3.4Å; F528-K653 VanDerWaalsContact CE1-NZ 3.32Å; F528-K653 HydrophobicContact CE2-CD 4.35Å; F528-K653 HydrophobicContact CG-CD 3.8Å; F528-K653 HydrophobicContact CG-CG 4.46Å |
| 529 | Y | 93.3 | Very high | 90.5 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 5% | 0.051 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 119.7 | 167.7 | -164.4 | -84.8 | 0 | 0 | 0 | 110.1 | L516 L531 R546 A547 W548 I576 K580 | L516-Y529 HydrophobicContact CD1-CD1 4.03Å; L516-Y529 PolarHBondContact N-O 3.47Å; L516-Y529 PolarHBondContact O-N 2.98Å; Y529-L531 HydrophobicContact CD1-CB 4.47Å; Y529-L531 HydrophobicContact CE1-CB 4.25Å; Y529-L531 HydrophobicContact CE1-CD1 4.47Å; Y529-R546 HydrophobicContact CE1-CG 4.27Å; Y529-R546 WeakPolarHBondContact OH-CD 3.29Å; Y529-A547 CarbonylContact C-O 3.13Å; Y529-A547 WeakPolarHBondContact CA-O 3.35Å; Y529-W548 HydrophobicContact CD2-CB 3.59Å; Y529-W548 HydrophobicContact CE2-CB 4.02Å; Y529-W548 HydrophobicContact CE2-CE3 4.48Å; Y529-I576 HydrophobicContact CE1-CG2 4.11Å; Y529-I576 WeakPolarHBondContact OH-CG2 3.41Å; Y529-K580 HydrophobicContact CD1-CG 4.25Å; Y529-K580 HydrophobicContact CE1-CG 3.93Å; Y529-K580 HydrophobicContact CE2-CD 4.24Å; Y529-K580 HydrophobicContact CE2-CG 4.31Å; Y529-K580 WeakPolarHBondContact OH-CE 3.45Å |
| 530 | K | 92.5 | Very high | 90.3 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 139.5 | 173.2 | -59.3 | -175.6 | 174.4 | -179.5 | 0 | 109.7 | D492 A514 V515 F528 R546 A547 R652 | D492-K530 WeakPolarHBondContact OD2-CD 3.05Å; D492-K530 IonicContact OD2-NZ 3.38Å; D492-K530 PolarHBondContact OD2-NZ 3.02Å; A514-K530 WeakPolarHBondContact O-CA 3.5Å; V515-K530 HydrophobicContact CG1-CG 4.39Å; V515-K530 HydrophobicContact CG2-CG 4.24Å; F528-K530 HydrophobicContact CD2-CG 4.14Å; F528-K530 HydrophobicContact CE2-CG 4.45Å; K530-R546 VanDerWaalsContact O-CA 3.3Å; K530-R546 WeakPolarHBondContact O-CA 3.15Å; K530-A547 HydrophobicContact CB-CB 4.21Å; K530-A547 PolarHBondContact N-O 3.22Å; K530-A547 PolarHBondContact O-N 3.5Å; K530-R652 PolarHBondContact NZ-O 3.5Å; K530-R652 VanDerWaalsContact NZ-O 3.09Å |
| 531 | L | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 129.9 | 178.2 | -175.5 | 66.5 | 0 | 0 | 0 | 109.4 | T513 A514 Y529 V544 F545 R546 F573 I576 | T513-L531 CarbonylContact C-O 3.48Å; T513-L531 WeakPolarHBondContact CA-O 3.4Å; A514-L531 PolarHBondContact N-O 3.33Å; A514-L531 PolarHBondContact O-N 3.23Å; Y529-L531 HydrophobicContact CD1-CB 4.47Å; Y529-L531 HydrophobicContact CE1-CB 4.25Å; Y529-L531 HydrophobicContact CE1-CD1 4.47Å; L531-V544 HydrophobicContact CD1-CG1 3.85Å; L531-F545 WeakPolarHBondContact CA-O 3.34Å; L531-R546 HydrophobicContact CD1-CG 3.5Å; L531-F573 HydrophobicContact CB-CE2 4.22Å; L531-F573 HydrophobicContact CD1-CD2 4.26Å; L531-F573 HydrophobicContact CD2-CD1 4.21Å; L531-F573 HydrophobicContact CD2-CD2 3.84Å; L531-F573 HydrophobicContact CD2-CE1 4.09Å; L531-F573 HydrophobicContact CD2-CE2 3.75Å; L531-F573 HydrophobicContact CD2-CG 4.08Å; L531-F573 HydrophobicContact CD2-CZ 3.87Å; L531-F573 HydrophobicContact CG-CD2 3.62Å; L531-F573 HydrophobicContact CG-CE2 3.47Å; L531-F573 VanDerWaalsContact CG-CE2 3.47Å; L531-F573 HydrophobicContact CG-CG 4.33Å; L531-F573 HydrophobicContact CG-CZ 4.05Å; L531-I576 HydrophobicContact CD1-CB 4.31Å; L531-I576 HydrophobicContact CD1-CD1 4.42Å; L531-I576 HydrophobicContact CD1-CG2 3.82Å; L531-I576 HydrophobicContact CD2-CB 4.32Å; L531-I576 HydrophobicContact CD2-CG2 4.07Å |
| 532 | Q | 94.3 | Very high | 90.9 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 136.1 | 176.7 | -67.6 | -163.8 | -45.5 | 0 | 0 | 111.3 | V490 D492 M512 T513 L534 V544 F545 | V490-Q532 PolarHBondContact O-NE2 3.41Å; D492-Q532 VanDerWaalsContact CB-OE1 3.24Å; M512-Q532 WeakPolarHBondContact O-CA 3.46Å; T513-Q532 WeakPolarHBondContact OG1-CG 3.4Å; T513-Q532 PolarHBondContact OG1-NE2 2.97Å; T513-Q532 VanDerWaalsContact OG1-NE2 3.1Å; Q532-L534 HydrophobicContact CB-CD2 4.22Å; Q532-L534 HydrophobicContact CB-CG 4.49Å; Q532-V544 CarbonylContact O-C 3.51Å; Q532-V544 WeakPolarHBondContact O-CA 3.46Å; Q532-F545 HydrophobicContact CB-CB 4.39Å; Q532-F545 HydrophobicContact CB-CD1 4.48Å; Q532-F545 PolarHBondContact N-O 3.19Å; Q532-F545 PolarHBondContact O-N 3.42Å |
| 533 | A | 96.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 131.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | L504 M512 W543 F573 | L504-A533 HydrophobicContact CB-CB 3.97Å; L504-A533 HydrophobicContact CD2-CB 4.15Å; L504-A533 PolarHBondContact N-O 3.17Å; M512-A533 HydrophobicContact CB-CB 3.89Å; M512-A533 PolarHBondContact O-N 2.96Å; A533-W543 CarbonylContact C-O 3.47Å; A533-W543 WeakPolarHBondContact CA-O 3.39Å; A533-F573 HydrophobicContact CB-CB 4.34Å; A533-F573 HydrophobicContact CB-CD2 3.82Å; A533-F573 HydrophobicContact CB-CG 4.34Å |
| 534 | L | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 142.7 | -174.1 | -55.8 | 176.3 | 0 | 0 | 0 | 109.9 | V491 L497 A501 T502 V503 Q532 C542 W543 F545 | V491-L534 HydrophobicContact CB-CD2 4.38Å; V491-L534 HydrophobicContact CG1-CD1 3.9Å; V491-L534 HydrophobicContact CG1-CD2 3.93Å; V491-L534 HydrophobicContact CG2-CD2 4.01Å; L497-L534 HydrophobicContact CB-CD1 4.32Å; L497-L534 HydrophobicContact CD1-CD1 3.89Å; A501-L534 HydrophobicContact CB-CB 4.15Å; T502-L534 CarbonylContact O-C 3.59Å; T502-L534 VanDerWaalsContact O-CA 3.31Å; T502-L534 WeakPolarHBondContact O-CA 3.43Å; V503-L534 HydrophobicContact CG2-CD2 4.02Å; Q532-L534 HydrophobicContact CB-CD2 4.22Å; Q532-L534 HydrophobicContact CB-CG 4.49Å; L534-C542 CarbonylContact O-C 3.58Å; L534-C542 WeakPolarHBondContact O-CA 3.22Å; L534-C542 WeakPolarHBondContact O-CB 3.32Å; L534-W543 HydrophobicContact CB-CB 4.37Å; L534-W543 HydrophobicContact CB-CE3 4.48Å; L534-W543 PolarHBondContact N-O 2.79Å; L534-W543 PolarHBondContact O-N 2.9Å; L534-F545 HydrophobicContact CD1-CB 4.16Å |
| 535 | Q | 94.2 | Very high | 93.3 | Very high | 73 Ų | 73 | 35.8 Ų | 35.8 | 34% | 0.341 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 139.4 | 175 | -175.6 | 171.5 | 21.5 | 0 | 0 | 109.9 | A501 T502 L504 | A501-Q535 CarbonylContact C-O 3.5Å; A501-Q535 WeakPolarHBondContact CA-O 3.49Å; A501-Q535 VanDerWaalsContact CB-O 3.25Å; A501-Q535 WeakPolarHBondContact CB-O 3.37Å; T502-Q535 PolarHBondContact N-O 3.2Å; T502-Q535 PolarHBondContact O-N 3.37Å; T502-Q535 PolarHBondContact OG1-O 3.06Å; L504-Q535 HydrophobicContact CD1-CB 3.94Å; L504-Q535 HydrophobicContact CD1-CG 4.44Å |
| 536 | S | 94 | Very high | 93.7 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 13% | 0.126 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 137.9 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | K538 S539 R541 | S536-K538 PolarHBondContact O-N 2.72Å; S536-K538 PolarHBondContact OG-N 2.72Å; S536-S539 WeakPolarHBondContact CB-O 3.4Å; S536-S539 WeakPolarHBondContact CB-OG 3.49Å; S536-S539 PolarHBondContact OG-N 3.21Å; S536-S539 PolarHBondContact OG-OG 3.12Å; S536-R541 VanDerWaalsContact CB-O 3.27Å; S536-R541 WeakPolarHBondContact CB-O 3.47Å; S536-R541 PolarHBondContact N-O 2.78Å |
| 537 | D | 90.7 | Very high | 93.8 | Very high | 72 Ų | 72 | 36.6 Ų | 36.6 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -70.2 | -15.6 | 176.5 | -60.3 | -21.6 | 0 | 0 | 0 | 112.6 | K486 K500 A501 T502 | K486-D537 IonicContact NZ-OD2 3.29Å; K486-D537 PolarHBondContact NZ-OD2 3.38Å; K500-D537 PolarHBondContact O-N 3.26Å; A501-D537 WeakPolarHBondContact CA-OD1 3.42Å; A501-D537 PolarHBondContact N-OD2 3Å; T502-D537 VanDerWaalsContact CG2-OD1 3.28Å; T502-D537 WeakPolarHBondContact CG2-OD1 3.46Å; T502-D537 PolarHBondContact N-OD1 3.19Å; T502-D537 PolarHBondContact OG1-OD1 3.09Å; T502-D537 VanDerWaalsContact OG1-OD1 3.12Å |
| 538 | K | 90.6 | Very high | 93.9 | Very high | 205 Ų | 205 | 39.8 Ų | 39.8 | 89% | 0.891 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -124.9 | -9 | -171.1 | -62.2 | -174.7 | 179.2 | -175.9 | 0 | 114.7 | S536 | S536-K538 PolarHBondContact O-N 2.72Å; S536-K538 PolarHBondContact OG-N 2.72Å |
| 539 | S | 89.7 | Confident | 93.8 | Very high | 49 Ų | 49 | 39.2 Ų | 39.2 | 34% | 0.343 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -147.8 | 162.9 | -171.7 | 71.9 | 0 | 0 | 0 | 0 | 110.9 | S536 R541 | S536-S539 WeakPolarHBondContact CB-O 3.4Å; S536-S539 WeakPolarHBondContact CB-OG 3.49Å; S536-S539 PolarHBondContact OG-N 3.21Å; S536-S539 PolarHBondContact OG-OG 3.12Å; S539-R541 PolarHBondContact O-N 2.94Å; S539-R541 WeakPolarHBondContact OG-CB 3.38Å |
| 540 | P | 88.8 | Confident | 93.6 | Very high | 100 Ų | 100 | 38.8 Ų | 38.8 | 65% | 0.649 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -70.8 | -5.7 | 176 | 28.7 | -35.6 | 0 | 0 | 0 | 113.7 | C542 | P540-C542 PolarHBondContact O-SG 2.78Š|
| 541 | R | 93.7 | Very high | 93.4 | Very high | 120 Ų | 120 | 37.8 Ų | 37.8 | 45% | 0.453 | 18% | 0.182 | S | C | . | . | trans | -63.4 | 136.5 | -177.8 | -169.5 | 173.8 | 176.5 | 172.6 | 2.2 | 110.8 | S536 S539 W543 S562 | S536-R541 VanDerWaalsContact CB-O 3.27Å; S536-R541 WeakPolarHBondContact CB-O 3.47Å; S536-R541 PolarHBondContact N-O 2.78Å; S539-R541 PolarHBondContact O-N 2.94Å; S539-R541 WeakPolarHBondContact OG-CB 3.38Å; R541-W543 HydrophobicContact CB-CH2 4.3Å; R541-W543 HydrophobicContact CB-CZ2 4.42Å; R541-W543 HydrophobicContact CG-CH2 4.12Å; R541-W543 HydrophobicContact CG-CZ2 3.77Å; R541-S562 VanDerWaalsContact CZ-OG 3.25Å; R541-S562 PolarHBondContact NE-OG 2.8Å; R541-S562 PolarHBondContact NH2-OG 2.89Å | ||
| 542 | C | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 163.5 | 178 | -64 | 0 | 0 | 0 | 0 | 110.3 | L534 P540 F563 A566 A569 | L534-C542 CarbonylContact O-C 3.58Å; L534-C542 WeakPolarHBondContact O-CA 3.22Å; L534-C542 WeakPolarHBondContact O-CB 3.32Å; P540-C542 PolarHBondContact O-SG 2.78Å; C542-F563 PolarHBondContact N-O 3.13Å; C542-F563 PolarHBondContact O-N 3.31Å; C542-A566 VanDerWaalsContact SG-CA 3.57Å; C542-A566 PolarHBondContact SG-N 3.41Å; C542-A569 HydrophobicContact CB-CB 3.64Å |
| 543 | W | 97.3 | Very high | 92.4 | Very high | 27 Ų | 27 | 39.2 Ų | 39.2 | 10% | 0.102 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 152.4 | 175.7 | -60 | -94.6 | 0 | 0 | 0 | 111.2 | L497 A501 A533 L534 R541 T560 E561 | L497-W543 HydrophobicContact CD1-CB 4.07Å; L497-W543 HydrophobicContact CD1-CD2 3.64Å; L497-W543 HydrophobicContact CD1-CE3 3.89Å; L497-W543 HydrophobicContact CD1-CG 3.71Å; L497-W543 HydrophobicContact CD2-CH2 4.48Å; L497-W543 HydrophobicContact CD2-CZ2 4.34Å; A501-W543 HydrophobicContact CB-CZ3 4.26Å; A533-W543 CarbonylContact C-O 3.47Å; A533-W543 WeakPolarHBondContact CA-O 3.39Å; L534-W543 HydrophobicContact CB-CB 4.37Å; L534-W543 HydrophobicContact CB-CE3 4.48Å; L534-W543 PolarHBondContact N-O 2.79Å; L534-W543 PolarHBondContact O-N 2.9Å; R541-W543 HydrophobicContact CB-CH2 4.3Å; R541-W543 HydrophobicContact CB-CZ2 4.42Å; R541-W543 HydrophobicContact CG-CH2 4.12Å; R541-W543 HydrophobicContact CG-CZ2 3.77Å; W543-T560 HydrophobicContact CB-CG2 4Å; W543-T560 HydrophobicContact CG-CG2 4.13Å; W543-E561 CarbonylContact C-O 3.56Å; W543-E561 WeakPolarHBondContact CA-O 3.45Å; W543-E561 WeakPolarHBondContact CB-O 3.2Å |
| 544 | V | 97.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 116.9 | 163.3 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | L531 Q532 E561 F563 A569 F573 I576 | L531-V544 HydrophobicContact CD1-CG1 3.85Å; Q532-V544 CarbonylContact O-C 3.51Å; Q532-V544 WeakPolarHBondContact O-CA 3.46Å; V544-E561 PolarHBondContact N-O 2.84Å; V544-E561 PolarHBondContact O-N 3.03Å; V544-F563 HydrophobicContact CB-CD2 4.47Å; V544-F563 HydrophobicContact CB-CE2 3.79Å; V544-F563 HydrophobicContact CG2-CD2 3.98Å; V544-F563 HydrophobicContact CG2-CE2 3.57Å; V544-F563 HydrophobicContact CG2-CZ 4.32Å; V544-A569 HydrophobicContact CG2-CB 4.13Å; V544-A569 WeakPolarHBondContact CG2-O 3.24Å; V544-F573 HydrophobicContact CG2-CB 4.5Å; V544-I576 HydrophobicContact CG1-CD1 4.12Å |
| 545 | F | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 138 | 177.3 | 173.6 | -105.9 | 0 | 0 | 0 | 110.7 | D492 Q494 L531 Q532 L534 A547 T558 T560 | D492-F545 HydrophobicContact CB-CD1 3.94Å; D492-F545 HydrophobicContact CB-CE1 3.59Å; D492-F545 HydrophobicContact CB-CZ 4.45Å; Q494-F545 HydrophobicContact CB-CE2 4.39Å; Q494-F545 HydrophobicContact CB-CZ 3.81Å; Q494-F545 WeakPolarHBondContact O-CE2 3.45Å; L531-F545 WeakPolarHBondContact CA-O 3.34Å; Q532-F545 HydrophobicContact CB-CB 4.39Å; Q532-F545 HydrophobicContact CB-CD1 4.48Å; Q532-F545 PolarHBondContact N-O 3.19Å; Q532-F545 PolarHBondContact O-N 3.42Å; L534-F545 HydrophobicContact CD1-CB 4.16Å; F545-A547 HydrophobicContact CE1-CB 4.06Å; F545-A547 HydrophobicContact CZ-CB 3.88Å; F545-T558 HydrophobicContact CE2-CG2 4.2Å; F545-T558 HydrophobicContact CZ-CG2 4.05Å; F545-T560 WeakPolarHBondContact CD2-OG1 3.44Å |
| 546 | R | 96.2 | Very high | 91.1 | Very high | 31 Ų | 31 | 43.1 Ų | 43.1 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 143.5 | 173.9 | -69.6 | 174.7 | -73.6 | -171.9 | 15.7 | 111.1 | Y529 K530 L531 W548 T558 K559 E561 | Y529-R546 HydrophobicContact CE1-CG 4.27Å; Y529-R546 WeakPolarHBondContact OH-CD 3.29Å; K530-R546 VanDerWaalsContact O-CA 3.3Å; K530-R546 WeakPolarHBondContact O-CA 3.15Å; L531-R546 HydrophobicContact CD1-CG 3.5Å; R546-W548 HydrophobicContact CB-CE3 4.34Å; R546-W548 HydrophobicContact CB-CZ3 4.25Å; R546-T558 CarbonylContact O-C 3.53Å; R546-T558 WeakPolarHBondContact O-CA 3.26Å; R546-K559 PolarHBondContact N-O 3.49Å; R546-K559 PolarHBondContact O-N 2.79Å; R546-E561 IonicContact CZ-OE1 2.93Å; R546-E561 IonicContact NH1-OE1 3.62Å; R546-E561 IonicContact NH2-OE1 3.96Å; R546-E561 PolarHBondContact NH2-OE1 3.01Å |
| 547 | A | 92.7 | Very high | 91 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | F528 Y529 K530 F545 G557 T558 | F528-A547 HydrophobicContact CE2-CB 4.13Å; Y529-A547 CarbonylContact C-O 3.13Å; Y529-A547 WeakPolarHBondContact CA-O 3.35Å; K530-A547 HydrophobicContact CB-CB 4.21Å; K530-A547 PolarHBondContact N-O 3.22Å; K530-A547 PolarHBondContact O-N 3.5Å; F545-A547 HydrophobicContact CE1-CB 4.06Å; F545-A547 HydrophobicContact CZ-CB 3.88Å; A547-G557 WeakPolarHBondContact CA-O 3.41Å; A547-T558 HydrophobicContact CB-CG2 3.87Å |
| 548 | W | 94.2 | Very high | 91.2 | Very high | 77 Ų | 77 | 43.4 Ų | 43.4 | 29% | 0.292 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 158.8 | 176.8 | 63.6 | 88.6 | 0 | 0 | 0 | 109.9 | N41 F528 Y529 R546 G556 G557 K559 | N41-W548 PolarHBondContact O-NE1 3.2Å; N41-W548 VanDerWaalsContact O-NE1 3.11Å; F528-W548 WeakPolarHBondContact O-CA 3.4Å; Y529-W548 HydrophobicContact CD2-CB 3.59Å; Y529-W548 HydrophobicContact CE2-CB 4.02Å; Y529-W548 HydrophobicContact CE2-CE3 4.48Å; R546-W548 HydrophobicContact CB-CE3 4.34Å; R546-W548 HydrophobicContact CB-CZ3 4.25Å; W548-G556 CarbonylContact O-C 3.27Å; W548-G556 WeakPolarHBondContact O-CA 3.31Å; W548-G557 PolarHBondContact N-O 3.07Å; W548-G557 PolarHBondContact O-N 2.97Å; W548-K559 HydrophobicContact CH2-CB 4.04Å; W548-K559 HydrophobicContact CZ3-CB 3.93Å |
| 549 | G | 90.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164 | -175.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | S527 F528 I555 | S527-G549 CarbonylContact C-O 3.48Å; S527-G549 VanDerWaalsContact CA-O 3.3Å; S527-G549 WeakPolarHBondContact CA-O 3.39Å; F528-G549 VanDerWaalsContact CD1-O 3.27Å; F528-G549 WeakPolarHBondContact CD1-O 3.46Å; F528-G549 VanDerWaalsContact CE1-C 3.48Å; F528-G549 VanDerWaalsContact CE1-CA 3.47Å; F528-G549 PolarHBondContact N-O 2.89Å; F528-G549 PolarHBondContact O-N 2.94Å; G549-I555 CarbonylContact C-O 3.01Å; G549-I555 WeakPolarHBondContact CA-O 3.29Å |
| 550 | R | 90.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 2% | 0.019 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 128.2 | 171.6 | -175.6 | 178.3 | -175.4 | 90.2 | 3.7 | 109.2 | D43 G524 N526 T553 I555 G711 K713 | D43-R550 HydrophobicContact CB-CB 3.94Å; D43-R550 WeakPolarHBondContact OD1-CD 3.41Å; D43-R550 IonicContact OD1-CZ 3.94Å; D43-R550 IonicContact OD1-NE 2.78Å; D43-R550 IonicContact OD1-NH1 3.75Å; D43-R550 PolarHBondContact OD1-NH1 2.99Å; D43-R550 IonicContact OD2-NH1 3.78Å; D43-R550 PolarHBondContact OD2-NH1 3.27Å; G524-R550 PolarHBondContact O-NH1 2.77Å; G524-R550 PolarHBondContact O-NH2 3.06Å; N526-R550 WeakPolarHBondContact O-CA 3.43Å; R550-T553 WeakPolarHBondContact CB-OG1 2.87Å; R550-T553 HydrophobicContact CG-CG2 4.34Å; R550-T553 PolarHBondContact O-N 3.07Å; R550-T553 PolarHBondContact O-OG1 2.93Å; R550-I555 HydrophobicContact CB-CB 4.2Å; R550-I555 HydrophobicContact CB-CG2 4.31Å; R550-I555 PolarHBondContact N-O 3.05Å; R550-G711 PolarHBondContact NE-O 3.04Å; R550-K713 PolarHBondContact NH2-O 3.1Å |
| 551 | I | 88.4 | Confident | 92.1 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 139.1 | -179.6 | -66.3 | 164.3 | 0 | 0 | 0 | 109.4 | N526 F528 T553 D650 P707 H708 | N526-I551 PolarHBondContact O-N 2.64Å; N526-I551 VanDerWaalsContact OD1-CD1 3.31Å; N526-I551 WeakPolarHBondContact OD1-CD1 3.44Å; F528-I551 HydrophobicContact CB-CD1 4.3Å; F528-I551 HydrophobicContact CB-CG1 3.84Å; F528-I551 HydrophobicContact CD1-CG1 3.98Å; F528-I551 HydrophobicContact CG-CG1 4.39Å; I551-T553 VanDerWaalsContact C-N 3.26Å; I551-T553 PolarHBondContact O-N 3.19Å; I551-D650 HydrophobicContact CG2-CB 3.49Å; I551-D650 VanDerWaalsContact CG2-CB 3.49Å; I551-P707 HydrophobicContact CD1-CB 4.07Å; I551-H708 WeakPolarHBondContact CG2-O 3.46Å |
| 552 | G | 81.5 | Confident | 92.2 | Very high | 20 Ų | 20 | 33.8 Ų | 33.8 | 21% | 0.206 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -6.8 | 179 | 0 | 0 | 0 | 0 | 0 | 116.7 | D650 D709 | G552-D650 WeakPolarHBondContact CA-OD2 3.43Å; G552-D650 PolarHBondContact N-OD2 2.67Å; G552-D709 VanDerWaalsContact CA-OD1 3.28Å; G552-D709 WeakPolarHBondContact CA-OD1 3.41Å; G552-D709 WeakPolarHBondContact CA-OD2 3.48Å |
| 553 | T | 85.4 | Confident | 92.2 | Very high | 18 Ų | 18 | 35.2 Ų | 35.2 | 11% | 0.11 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -120 | 176.4 | -175.3 | 73.5 | 0 | 0 | 0 | 0 | 112.5 | R550 I551 I555 R652 | R550-T553 WeakPolarHBondContact CB-OG1 2.87Å; R550-T553 HydrophobicContact CG-CG2 4.34Å; R550-T553 PolarHBondContact O-N 3.07Å; R550-T553 PolarHBondContact O-OG1 2.93Å; I551-T553 VanDerWaalsContact C-N 3.26Å; I551-T553 PolarHBondContact O-N 3.19Å; T553-I555 WeakPolarHBondContact OG1-CB 3.18Å; T553-I555 PolarHBondContact OG1-N 2.76Å; T553-I555 VanDerWaalsContact OG1-N 3.16Å; T553-R652 PolarHBondContact O-NH2 2.7Å |
| 554 | S | 85 | Confident | 92 | Very high | 121 Ų | 121 | 38.4 Ų | 38.4 | 85% | 0.846 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -87.3 | -3.3 | 166.8 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | G556 | S554-G556 PolarHBondContact O-N 3.42Š|
| 555 | I | 85.7 | Confident | 91.7 | Very high | 14 Ų | 14 | 41.4 Ų | 41.4 | 7% | 0.072 | 25% | 0.246 | C | C | . | . | trans | -66.6 | 124.7 | 176.3 | -70 | 166.9 | 0 | 0 | 0 | 109 | Q38 F42 G549 R550 T553 F712 | Q38-I555 HydrophobicContact CG-CD1 3.47Å; Q38-I555 VanDerWaalsContact CG-CD1 3.47Å; F42-I555 WeakPolarHBondContact O-CG2 3.48Å; G549-I555 CarbonylContact C-O 3.01Å; G549-I555 WeakPolarHBondContact CA-O 3.29Å; R550-I555 HydrophobicContact CB-CB 4.2Å; R550-I555 HydrophobicContact CB-CG2 4.31Å; R550-I555 PolarHBondContact N-O 3.05Å; T553-I555 WeakPolarHBondContact OG1-CB 3.18Å; T553-I555 PolarHBondContact OG1-N 2.76Å; T553-I555 VanDerWaalsContact OG1-N 3.16Å; I555-F712 HydrophobicContact CD1-CD1 4.08Å; I555-F712 HydrophobicContact CD1-CE1 3.48Å; I555-F712 VanDerWaalsContact CD1-CE1 3.48Å; I555-F712 HydrophobicContact CD1-CZ 4.48Å; I555-F712 HydrophobicContact CG1-CE1 4.44Å | ||
| 556 | G | 88.9 | Confident | 91.6 | Very high | 20 Ų | 20 | 42.2 Ų | 42.2 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.8 | -161.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P40 W548 S554 | P40-G556 PolarHBondContact O-N 3.43Å; W548-G556 CarbonylContact O-C 3.27Å; W548-G556 WeakPolarHBondContact O-CA 3.31Å; S554-G556 PolarHBondContact O-N 3.42Å |
| 557 | G | 91.6 | Very high | 91.5 | Very high | 27 Ų | 27 | 46 Ų | 46 | 28% | 0.278 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 168.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A547 W548 | A547-G557 WeakPolarHBondContact CA-O 3.41Å; W548-G557 PolarHBondContact N-O 3.07Å; W548-G557 PolarHBondContact O-N 2.97Å |
| 558 | T | 94 | Very high | 91.6 | Very high | 68 Ų | 68 | 48.1 Ų | 48.1 | 42% | 0.417 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 155.2 | 173.5 | 61.3 | 0 | 0 | 0 | 0 | 110 | Q494 F545 R546 A547 | Q494-T558 HydrophobicContact CB-CG2 4.09Å; F545-T558 HydrophobicContact CE2-CG2 4.2Å; F545-T558 HydrophobicContact CZ-CG2 4.05Å; R546-T558 CarbonylContact O-C 3.53Å; R546-T558 WeakPolarHBondContact O-CA 3.26Å; A547-T558 HydrophobicContact CB-CG2 3.87Å |
| 559 | K | 96 | Very high | 91.7 | Very high | 96 Ų | 96 | 44.4 Ų | 44.4 | 42% | 0.417 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 120.5 | 173.4 | -176.4 | 162.9 | 175.2 | -143.4 | 0 | 110.2 | R546 W548 E561 | R546-K559 PolarHBondContact N-O 3.49Å; R546-K559 PolarHBondContact O-N 2.79Å; W548-K559 HydrophobicContact CH2-CB 4.04Å; W548-K559 HydrophobicContact CZ3-CB 3.93Å; K559-E561 HydrophobicContact CD-CG 4.34Å; K559-E561 VanDerWaalsContact CE-CD 3.45Å; K559-E561 WeakPolarHBondContact CE-OE1 3.3Å; K559-E561 HydrophobicContact CG-CG 4.03Å; K559-E561 VanDerWaalsContact NZ-CD 3.25Å; K559-E561 IonicContact NZ-OE1 2.73Å; K559-E561 PolarHBondContact NZ-OE1 2.88Å; K559-E561 IonicContact NZ-OE2 2.64Å |
| 560 | T | 96.2 | Very high | 91.9 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 34% | 0.344 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 114.1 | 172.9 | -51.2 | 0 | 0 | 0 | 0 | 109 | L497 W543 F545 | L497-T560 HydrophobicContact CD1-CG2 3.94Å; W543-T560 HydrophobicContact CB-CG2 4Å; W543-T560 HydrophobicContact CG-CG2 4.13Å; F545-T560 WeakPolarHBondContact CD2-OG1 3.44Å |
| 561 | E | 96 | Very high | 92.2 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 29% | 0.29 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 140.4 | 176.1 | -63.8 | -163.9 | -131 | 0 | 0 | 110.6 | W543 V544 R546 K559 F563 | W543-E561 CarbonylContact C-O 3.56Å; W543-E561 WeakPolarHBondContact CA-O 3.45Å; W543-E561 WeakPolarHBondContact CB-O 3.2Å; V544-E561 PolarHBondContact N-O 2.84Å; V544-E561 PolarHBondContact O-N 3.03Å; R546-E561 IonicContact CZ-OE1 2.93Å; R546-E561 IonicContact NH1-OE1 3.62Å; R546-E561 IonicContact NH2-OE1 3.96Å; R546-E561 PolarHBondContact NH2-OE1 3.01Å; K559-E561 HydrophobicContact CD-CG 4.34Å; K559-E561 VanDerWaalsContact CE-CD 3.45Å; K559-E561 WeakPolarHBondContact CE-OE1 3.3Å; K559-E561 HydrophobicContact CG-CG 4.03Å; K559-E561 VanDerWaalsContact NZ-CD 3.25Å; K559-E561 IonicContact NZ-OE1 2.73Å; K559-E561 PolarHBondContact NZ-OE1 2.88Å; K559-E561 IonicContact NZ-OE2 2.64Å; E561-F563 HydrophobicContact CB-CE2 3.7Å; E561-F563 HydrophobicContact CB-CZ 4.05Å |
| 562 | S | 95.8 | Very high | 92.6 | Very high | 59 Ų | 59 | 51.1 Ų | 51.1 | 41% | 0.413 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 138.1 | -175.4 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | R541 | R541-S562 VanDerWaalsContact CZ-OG 3.25Å; R541-S562 PolarHBondContact NE-OG 2.8Å; R541-S562 PolarHBondContact NH2-OG 2.89Å |
| 563 | F | 96.2 | Very high | 93.4 | Very high | 29 Ų | 29 | 50.2 Ų | 50.2 | 13% | 0.127 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 148.2 | -179.3 | -63.3 | -87.9 | 0 | 0 | 0 | 111 | C542 V544 E561 N565 A569 T572 | C542-F563 PolarHBondContact N-O 3.13Å; C542-F563 PolarHBondContact O-N 3.31Å; V544-F563 HydrophobicContact CB-CD2 4.47Å; V544-F563 HydrophobicContact CB-CE2 3.79Å; V544-F563 HydrophobicContact CG2-CD2 3.98Å; V544-F563 HydrophobicContact CG2-CE2 3.57Å; V544-F563 HydrophobicContact CG2-CZ 4.32Å; E561-F563 HydrophobicContact CB-CE2 3.7Å; E561-F563 HydrophobicContact CB-CZ 4.05Å; F563-N565 VanDerWaalsContact C-N 3.33Å; F563-N565 PolarHBondContact O-N 2.97Å; F563-A569 HydrophobicContact CB-CB 4.11Å; F563-A569 HydrophobicContact CD2-CB 4.16Å; F563-A569 HydrophobicContact CG-CB 4.2Å; F563-T572 HydrophobicContact CE1-CG2 4.26Å; F563-T572 WeakPolarHBondContact CE1-OG1 3.46Å; F563-T572 HydrophobicContact CE2-CG2 4.5Å; F563-T572 HydrophobicContact CZ-CG2 3.71Å |
| 564 | P | 92.9 | Very high | 93.9 | Very high | 94 Ų | 94 | 50.9 Ų | 50.9 | 61% | 0.61 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -71 | -26.9 | -176 | 27 | -34.3 | 0 | 0 | 0 | 113.5 | ||
| 565 | N | 92.1 | Very high | 94.5 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 35% | 0.348 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -151.5 | 170.4 | -175.7 | 61.9 | 61.2 | 0 | 0 | 0 | 111.5 | F563 N567 S568 A569 | F563-N565 VanDerWaalsContact C-N 3.33Å; F563-N565 PolarHBondContact O-N 2.97Å; N565-N567 PolarHBondContact O-N 2.87Å; N565-N567 WeakPolarHBondContact OD1-CB 3.17Å; N565-N567 PolarHBondContact OD1-N 2.75Å; N565-N567 VanDerWaalsContact OD1-N 3.08Å; N565-S568 PolarHBondContact OD1-N 2.94Å; N565-S568 PolarHBondContact OD1-OG 2.75Å; N565-A569 PolarHBondContact O-N 2.81Å |
| 566 | A | 93.5 | Very high | 95.1 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.7 | -38.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L504 C542 S568 A569 R570 | L504-A566 HydrophobicContact CD1-CB 3.96Å; L504-A566 HydrophobicContact CD2-CB 4.15Å; C542-A566 VanDerWaalsContact SG-CA 3.57Å; C542-A566 PolarHBondContact SG-N 3.41Å; A566-S568 PolarHBondContact O-N 2.62Å; A566-A569 PolarHBondContact O-N 3.28Å; A566-R570 VanDerWaalsContact O-CG 3.29Å; A566-R570 WeakPolarHBondContact O-CG 3.27Å; A566-R570 PolarHBondContact O-N 3.09Å |
| 567 | N | 93.7 | Very high | 95.5 | Very high | 111 Ų | 111 | 50.4 Ų | 50.4 | 59% | 0.594 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.3 | -44.4 | -176.1 | -67.1 | -10.5 | 0 | 0 | 0 | 112.3 | N565 R570 S571 | N565-N567 PolarHBondContact O-N 2.87Å; N565-N567 WeakPolarHBondContact OD1-CB 3.17Å; N565-N567 PolarHBondContact OD1-N 2.75Å; N565-N567 VanDerWaalsContact OD1-N 3.08Å; N567-R570 PolarHBondContact O-N 3.4Å; N567-R570 PolarHBondContact OD1-NH1 2.86Å; N567-S571 WeakPolarHBondContact O-CB 3.47Å; N567-S571 PolarHBondContact O-N 3.28Å; N567-S571 PolarHBondContact O-OG 3.42Å |
| 568 | S | 95 | Very high | 95.8 | Very high | 44 Ų | 44 | 53.6 Ų | 53.6 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 175.1 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | N565 A566 S571 T572 | N565-S568 PolarHBondContact OD1-N 2.94Å; N565-S568 PolarHBondContact OD1-OG 2.75Å; A566-S568 PolarHBondContact O-N 2.62Å; S568-S571 PolarHBondContact O-N 3.32Å; S568-T572 PolarHBondContact O-N 3.19Å; S568-T572 PolarHBondContact O-OG1 2.88Å |
| 569 | A | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64 | -42 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | C542 V544 F563 N565 A566 F573 | C542-A569 HydrophobicContact CB-CB 3.64Å; V544-A569 HydrophobicContact CG2-CB 4.13Å; V544-A569 WeakPolarHBondContact CG2-O 3.24Å; F563-A569 HydrophobicContact CB-CB 4.11Å; F563-A569 HydrophobicContact CD2-CB 4.16Å; F563-A569 HydrophobicContact CG-CB 4.2Å; N565-A569 PolarHBondContact O-N 2.81Å; A566-A569 PolarHBondContact O-N 3.28Å; A569-F573 WeakPolarHBondContact O-CB 3.35Å; A569-F573 PolarHBondContact O-N 3.2Å |
| 570 | R | 96 | Very high | 96 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 17% | 0.17 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -47 | 175.1 | -66.4 | -163.1 | -173.9 | 90.3 | 0.7 | 111.4 | L504 K505 M512 A566 N567 T572 F573 K574 | L504-R570 HydrophobicContact CD2-CG 3.55Å; K505-R570 PolarHBondContact O-NE 3.34Å; K505-R570 PolarHBondContact O-NH2 3.09Å; M512-R570 HydrophobicContact CE-CB 4.05Å; M512-R570 HydrophobicContact CE-CG 4.15Å; M512-R570 HydrophobicContact SD-CB 4.12Å; M512-R570 HydrophobicContact SD-CG 3.53Å; M512-R570 VanDerWaalsContact SD-CG 3.53Å; A566-R570 VanDerWaalsContact O-CG 3.29Å; A566-R570 WeakPolarHBondContact O-CG 3.27Å; A566-R570 PolarHBondContact O-N 3.09Å; N567-R570 PolarHBondContact O-N 3.4Å; N567-R570 PolarHBondContact OD1-NH1 2.86Å; R570-T572 PolarHBondContact O-N 3.07Å; R570-F573 WeakPolarHBondContact O-CB 3.44Å; R570-F573 PolarHBondContact O-N 3.4Å; R570-K574 VanDerWaalsContact O-CG 3.3Å; R570-K574 WeakPolarHBondContact O-CG 3.44Å; R570-K574 PolarHBondContact O-N 3.42Å |
| 571 | S | 96.1 | Very high | 96 | Very high | 77 Ų | 77 | 49.9 Ų | 49.9 | 54% | 0.538 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | -178.6 | -55.8 | 0 | 0 | 0 | 0 | 111 | N567 S568 F573 K574 E575 | N567-S571 WeakPolarHBondContact O-CB 3.47Å; N567-S571 PolarHBondContact O-N 3.28Å; N567-S571 PolarHBondContact O-OG 3.42Å; S568-S571 PolarHBondContact O-N 3.32Å; S571-F573 PolarHBondContact O-N 2.88Å; S571-K574 PolarHBondContact O-N 3.1Å; S571-E575 PolarHBondContact O-N 2.84Å |
| 572 | T | 97.1 | Very high | 96 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 19% | 0.19 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 176.9 | -60 | 0 | 0 | 0 | 0 | 112.7 | F563 S568 R570 I576 | F563-T572 HydrophobicContact CE1-CG2 4.26Å; F563-T572 WeakPolarHBondContact CE1-OG1 3.46Å; F563-T572 HydrophobicContact CE2-CG2 4.5Å; F563-T572 HydrophobicContact CZ-CG2 3.71Å; S568-T572 PolarHBondContact O-N 3.19Å; S568-T572 PolarHBondContact O-OG1 2.88Å; R570-T572 PolarHBondContact O-N 3.07Å; T572-I576 HydrophobicContact CG2-CD1 3.61Å; T572-I576 HydrophobicContact CG2-CG1 4.34Å; T572-I576 WeakPolarHBondContact O-CB 3.16Å; T572-I576 WeakPolarHBondContact O-CD1 3.47Å; T572-I576 VanDerWaalsContact O-CG1 3.24Å; T572-I576 WeakPolarHBondContact O-CG1 2.94Å; T572-I576 PolarHBondContact O-N 2.88Å |
| 573 | F | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.1 | -49.2 | 173.1 | 178.6 | -75.1 | 0 | 0 | 0 | 111.2 | M512 L531 A533 V544 A569 R570 S571 E575 I576 Y577 W585 | M512-F573 VanDerWaalsContact C-CE2 3.47Å; M512-F573 HydrophobicContact CB-CD2 4.29Å; M512-F573 HydrophobicContact CB-CE1 4.32Å; M512-F573 HydrophobicContact CB-CE2 4.06Å; M512-F573 HydrophobicContact CB-CZ 4.1Å; M512-F573 HydrophobicContact CE-CB 3.89Å; M512-F573 HydrophobicContact CE-CD1 3.37Å; M512-F573 HydrophobicContact CE-CE1 4.02Å; M512-F573 HydrophobicContact CE-CG 3.7Å; M512-F573 WeakPolarHBondContact O-CE2 3.35Å; L531-F573 HydrophobicContact CB-CE2 4.22Å; L531-F573 HydrophobicContact CD1-CD2 4.26Å; L531-F573 HydrophobicContact CD2-CD1 4.21Å; L531-F573 HydrophobicContact CD2-CD2 3.84Å; L531-F573 HydrophobicContact CD2-CE1 4.09Å; L531-F573 HydrophobicContact CD2-CE2 3.75Å; L531-F573 HydrophobicContact CD2-CG 4.08Å; L531-F573 HydrophobicContact CD2-CZ 3.87Å; L531-F573 HydrophobicContact CG-CD2 3.62Å; L531-F573 HydrophobicContact CG-CE2 3.47Å; L531-F573 VanDerWaalsContact CG-CE2 3.47Å; L531-F573 HydrophobicContact CG-CG 4.33Å; L531-F573 HydrophobicContact CG-CZ 4.05Å; A533-F573 HydrophobicContact CB-CB 4.34Å; A533-F573 HydrophobicContact CB-CD2 3.82Å; A533-F573 HydrophobicContact CB-CG 4.34Å; V544-F573 HydrophobicContact CG2-CB 4.5Å; A569-F573 WeakPolarHBondContact O-CB 3.35Å; A569-F573 PolarHBondContact O-N 3.2Å; R570-F573 WeakPolarHBondContact O-CB 3.44Å; R570-F573 PolarHBondContact O-N 3.4Å; S571-F573 PolarHBondContact O-N 2.88Å; F573-E575 PolarHBondContact O-N 3.34Å; F573-I576 PolarHBondContact O-N 2.9Å; F573-Y577 WeakPolarHBondContact O-CB 3.47Å; F573-Y577 PolarHBondContact O-N 2.72Å; F573-W585 AromaticContact CE1-CD2 3.81Å; F573-W585 HydrophobicContact CE1-CD2 3.81Å; F573-W585 AromaticContact CE1-CE3 3.52Å; F573-W585 HydrophobicContact CE1-CE3 3.52Å; F573-W585 HydrophobicContact CE1-CH2 4.03Å; F573-W585 HydrophobicContact CE1-CZ2 4.32Å; F573-W585 AromaticContact CE1-CZ3 3.63Å; F573-W585 HydrophobicContact CE1-CZ3 3.63Å; F573-W585 HydrophobicContact CZ-CE3 4.19Å; F573-W585 HydrophobicContact CZ-CH2 4.03Å; F573-W585 AromaticContact CZ-CZ3 3.82Å; F573-W585 HydrophobicContact CZ-CZ3 3.82Å |
| 574 | K | 97.2 | Very high | 96 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 14% | 0.143 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -43.3 | -179 | -68.6 | 176.7 | -175.8 | -173.8 | 0 | 111.2 | E507 M512 R570 S571 Y577 F578 W585 E586 | E507-K574 IonicContact OE1-NZ 3.87Å; E507-K574 PolarHBondContact OE1-NZ 2.98Å; E507-K574 VanDerWaalsContact OE1-NZ 3.1Å; E507-K574 IonicContact OE2-NZ 3.89Å; E507-K574 PolarHBondContact OE2-NZ 2.94Å; M512-K574 HydrophobicContact CE-CG 4.2Å; R570-K574 VanDerWaalsContact O-CG 3.3Å; R570-K574 WeakPolarHBondContact O-CG 3.44Å; R570-K574 PolarHBondContact O-N 3.42Å; S571-K574 PolarHBondContact O-N 3.1Å; K574-Y577 PolarHBondContact O-N 2.91Å; K574-F578 WeakPolarHBondContact O-CB 3.47Å; K574-F578 PolarHBondContact O-N 2.89Å; K574-W585 HydrophobicContact CB-CB 4.49Å; K574-W585 HydrophobicContact CG-CB 3.88Å; K574-W585 HydrophobicContact CG-CG 4.23Å; K574-E586 WeakPolarHBondContact CD-OE1 3.47Å; K574-E586 WeakPolarHBondContact CE-OE1 3.3Å; K574-E586 IonicContact NZ-OE1 3.54Å; K574-E586 PolarHBondContact NZ-OE1 3.28Å |
| 575 | E | 97.4 | Very high | 96.1 | Very high | 136 Ų | 136 | 45 Ų | 45 | 64% | 0.636 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -59.1 | -49.2 | 175.4 | -176.7 | -174.9 | 179.3 | 0 | 0 | 112.1 | S571 F573 Y577 F578 E579 | S571-E575 PolarHBondContact O-N 2.84Å; F573-E575 PolarHBondContact O-N 3.34Å; E575-Y577 PolarHBondContact O-N 2.8Å; E575-F578 PolarHBondContact O-N 3.38Å; E575-E579 WeakPolarHBondContact O-CB 3.37Å; E575-E579 PolarHBondContact O-N 2.87Å |
| 576 | I | 97.7 | Very high | 96.1 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.046 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 178.9 | -67 | 161.2 | 0 | 0 | 0 | 110.5 | Y529 L531 V544 T572 F573 E579 K580 | Y529-I576 HydrophobicContact CE1-CG2 4.11Å; Y529-I576 WeakPolarHBondContact OH-CG2 3.41Å; L531-I576 HydrophobicContact CD1-CB 4.31Å; L531-I576 HydrophobicContact CD1-CD1 4.42Å; L531-I576 HydrophobicContact CD1-CG2 3.82Å; L531-I576 HydrophobicContact CD2-CB 4.32Å; L531-I576 HydrophobicContact CD2-CG2 4.07Å; V544-I576 HydrophobicContact CG1-CD1 4.12Å; T572-I576 HydrophobicContact CG2-CD1 3.61Å; T572-I576 HydrophobicContact CG2-CG1 4.34Å; T572-I576 WeakPolarHBondContact O-CB 3.16Å; T572-I576 WeakPolarHBondContact O-CD1 3.47Å; T572-I576 VanDerWaalsContact O-CG1 3.24Å; T572-I576 WeakPolarHBondContact O-CG1 2.94Å; T572-I576 PolarHBondContact O-N 2.88Å; F573-I576 PolarHBondContact O-N 2.9Å; I576-E579 PolarHBondContact O-N 3.06Å; I576-K580 HydrophobicContact CG2-CG 4.3Å; I576-K580 WeakPolarHBondContact O-CG 3.28Å; I576-K580 PolarHBondContact O-N 2.91Å |
| 577 | Y | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.4 | -51.3 | 177.2 | 179.5 | -88.4 | 0 | 0 | 0 | 110.2 | A514 L516 F573 K574 E575 E579 K580 T581 N583 W585 F591 E600 | A514-Y577 HydrophobicContact CB-CD2 4.08Å; A514-Y577 HydrophobicContact CB-CE2 4.07Å; L516-Y577 HydrophobicContact CD2-CE2 4.27Å; F573-Y577 WeakPolarHBondContact O-CB 3.47Å; F573-Y577 PolarHBondContact O-N 2.72Å; K574-Y577 PolarHBondContact O-N 2.91Å; E575-Y577 PolarHBondContact O-N 2.8Å; Y577-E579 PolarHBondContact O-N 2.62Å; Y577-K580 PolarHBondContact O-N 3.23Å; Y577-K580 VanDerWaalsContact O-N 3.13Å; Y577-T581 HydrophobicContact CD2-CG2 4.18Å; Y577-T581 HydrophobicContact CE1-CG2 4.28Å; Y577-T581 WeakPolarHBondContact CE1-OG1 3.48Å; Y577-T581 HydrophobicContact CE2-CG2 3.95Å; Y577-T581 HydrophobicContact CG-CG2 4.47Å; Y577-T581 WeakPolarHBondContact O-CG2 3.47Å; Y577-T581 PolarHBondContact O-N 3.45Å; Y577-T581 PolarHBondContact O-OG1 3.17Å; Y577-N583 WeakPolarHBondContact CD1-O 3.4Å; Y577-N583 HydrophobicContact CE1-CB 4.24Å; Y577-N583 WeakPolarHBondContact CE1-O 3.48Å; Y577-W585 HydrophobicContact CD1-CB 4.32Å; Y577-W585 HydrophobicContact CD1-CE3 4.38Å; Y577-W585 AromaticContact CD2-CE3 3.9Å; Y577-W585 HydrophobicContact CD2-CE3 3.9Å; Y577-W585 HydrophobicContact CD2-CZ3 4.2Å; Y577-W585 HydrophobicContact CE1-CE3 4.42Å; Y577-W585 AromaticContact CE2-CE3 3.93Å; Y577-W585 HydrophobicContact CE2-CE3 3.93Å; Y577-W585 HydrophobicContact CE2-CZ3 4.08Å; Y577-W585 HydrophobicContact CG-CE3 4.14Å; Y577-F591 WeakPolarHBondContact OH-CD2 3.46Å; Y577-F591 WeakPolarHBondContact OH-CE2 3.44Å; Y577-E600 PolarHBondContact OH-OE2 2.68Å |
| 578 | F | 97.5 | Very high | 95.7 | Very high | 94 Ų | 94 | 45.9 Ų | 45.9 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.1 | -43.4 | 176 | -179 | -96.6 | 0 | 0 | 0 | 112.4 | K574 E575 K580 G582 N583 E584 | K574-F578 WeakPolarHBondContact O-CB 3.47Å; K574-F578 PolarHBondContact O-N 2.89Å; E575-F578 PolarHBondContact O-N 3.38Å; F578-K580 VanDerWaalsContact C-N 3.28Å; F578-K580 PolarHBondContact O-N 3.47Å; F578-G582 VanDerWaalsContact O-CA 3.26Å; F578-G582 WeakPolarHBondContact O-CA 3.45Å; F578-G582 PolarHBondContact O-N 2.89Å; F578-N583 WeakPolarHBondContact CA-O 3.36Å; F578-E584 HydrophobicContact CD2-CG 4.34Å |
| 579 | E | 97.4 | Very high | 95.3 | Very high | 96 Ų | 96 | 52.5 Ų | 52.5 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.2 | -40.1 | 176.5 | -167.6 | -143.7 | 132.9 | 0 | 0 | 111.7 | E575 I576 Y577 K597 | E575-E579 WeakPolarHBondContact O-CB 3.37Å; E575-E579 PolarHBondContact O-N 2.87Å; I576-E579 PolarHBondContact O-N 3.06Å; Y577-E579 PolarHBondContact O-N 2.62Å; E579-K597 PolarHBondContact O-NZ 2.79Å |
| 580 | K | 96.7 | Very high | 95 | Very high | 46 Ų | 46 | 58.7 Ų | 58.7 | 20% | 0.2 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -84.6 | -33.2 | -176.4 | -63.2 | -48.2 | 177.5 | -157.6 | 0 | 114.3 | L516 Y529 I576 Y577 F578 K597 F598 | L516-K580 HydrophobicContact CD1-CB 3.87Å; Y529-K580 HydrophobicContact CD1-CG 4.25Å; Y529-K580 HydrophobicContact CE1-CG 3.93Å; Y529-K580 HydrophobicContact CE2-CD 4.24Å; Y529-K580 HydrophobicContact CE2-CG 4.31Å; Y529-K580 WeakPolarHBondContact OH-CE 3.45Å; I576-K580 HydrophobicContact CG2-CG 4.3Å; I576-K580 WeakPolarHBondContact O-CG 3.28Å; I576-K580 PolarHBondContact O-N 2.91Å; Y577-K580 PolarHBondContact O-N 3.23Å; Y577-K580 VanDerWaalsContact O-N 3.13Å; F578-K580 VanDerWaalsContact C-N 3.28Å; F578-K580 PolarHBondContact O-N 3.47Å; K580-K597 WeakPolarHBondContact O-CB 3.2Å; K580-F598 HydrophobicContact CB-CD2 4.38Å; K580-F598 PolarHBondContact O-N 3.17Å |
| 581 | T | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -106.1 | -25.4 | -173.4 | 67.2 | 0 | 0 | 0 | 0 | 113.3 | L516 Y577 N583 F591 | L516-T581 HydrophobicContact CD1-CG2 3.73Å; L516-T581 HydrophobicContact CD2-CG2 3.85Å; L516-T581 HydrophobicContact CG-CG2 4.44Å; Y577-T581 HydrophobicContact CD2-CG2 4.18Å; Y577-T581 HydrophobicContact CE1-CG2 4.28Å; Y577-T581 WeakPolarHBondContact CE1-OG1 3.48Å; Y577-T581 HydrophobicContact CE2-CG2 3.95Å; Y577-T581 HydrophobicContact CG-CG2 4.47Å; Y577-T581 WeakPolarHBondContact O-CG2 3.47Å; Y577-T581 PolarHBondContact O-N 3.45Å; Y577-T581 PolarHBondContact O-OG1 3.17Å; T581-N583 PolarHBondContact O-ND2 2.87Å; T581-N583 PolarHBondContact OG1-N 3.41Å; T581-N583 PolarHBondContact OG1-O 3.33Å; T581-F591 HydrophobicContact CG2-CE2 3.95Å; T581-F591 HydrophobicContact CG2-CZ 4.24Å |
| 582 | G | 96 | Very high | 94.7 | Very high | 26 Ų | 26 | 64.1 Ų | 64.1 | 27% | 0.268 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 72.4 | 12.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F578 | F578-G582 VanDerWaalsContact O-CA 3.26Å; F578-G582 WeakPolarHBondContact O-CA 3.45Å; F578-G582 PolarHBondContact O-N 2.89Å |
| 583 | N | 96.7 | Very high | 94.5 | Very high | 18 Ų | 18 | 64 Ų | 64 | 10% | 0.096 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -120.2 | 142.9 | -178.9 | -68.1 | -100.1 | 0 | 0 | 0 | 110.1 | Y577 F578 T581 F591 R592 | Y577-N583 WeakPolarHBondContact CD1-O 3.4Å; Y577-N583 HydrophobicContact CE1-CB 4.24Å; Y577-N583 WeakPolarHBondContact CE1-O 3.48Å; F578-N583 WeakPolarHBondContact CA-O 3.36Å; T581-N583 PolarHBondContact O-ND2 2.87Å; T581-N583 PolarHBondContact OG1-N 3.41Å; T581-N583 PolarHBondContact OG1-O 3.33Å; N583-F591 HydrophobicContact CB-CD2 4.18Å; N583-F591 HydrophobicContact CB-CE2 4.16Å; N583-R592 PolarHBondContact ND2-O 2.8Å; N583-R592 PolarHBondContact OD1-N 3.14Å; N583-R592 PolarHBondContact OD1-O 3.12Å |
| 584 | E | 95.7 | Very high | 94.3 | Very high | 95 Ų | 95 | 66.3 Ų | 66.3 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | trans | -71.7 | 140.4 | 172.2 | -63.4 | -66.4 | 174.8 | 0 | 0 | 110.6 | F578 E586 S587 R588 | F578-E584 HydrophobicContact CD2-CG 4.34Å; E584-E586 VanDerWaalsContact C-N 3.3Å; E584-E586 PolarHBondContact O-N 3.43Å; E584-S587 PolarHBondContact O-N 2.95Å; E584-R588 PolarHBondContact O-N 3.26Å | ||
| 585 | W | 95.2 | Very high | 94 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -57.3 | -42.7 | -178.2 | 173.1 | -103.3 | 0 | 0 | 0 | 112.3 | D506 M512 A514 F573 K574 Y577 S587 R588 | D506-W585 PolarHBondContact OD2-NE1 2.87Å; M512-W585 HydrophobicContact CB-CZ2 4.49Å; M512-W585 HydrophobicContact CG-CZ2 4.23Å; A514-W585 HydrophobicContact CB-CZ3 4.35Å; F573-W585 AromaticContact CE1-CD2 3.81Å; F573-W585 HydrophobicContact CE1-CD2 3.81Å; F573-W585 AromaticContact CE1-CE3 3.52Å; F573-W585 HydrophobicContact CE1-CE3 3.52Å; F573-W585 HydrophobicContact CE1-CH2 4.03Å; F573-W585 HydrophobicContact CE1-CZ2 4.32Å; F573-W585 AromaticContact CE1-CZ3 3.63Å; F573-W585 HydrophobicContact CE1-CZ3 3.63Å; F573-W585 HydrophobicContact CZ-CE3 4.19Å; F573-W585 HydrophobicContact CZ-CH2 4.03Å; F573-W585 AromaticContact CZ-CZ3 3.82Å; F573-W585 HydrophobicContact CZ-CZ3 3.82Å; K574-W585 HydrophobicContact CB-CB 4.49Å; K574-W585 HydrophobicContact CG-CB 3.88Å; K574-W585 HydrophobicContact CG-CG 4.23Å; Y577-W585 HydrophobicContact CD1-CB 4.32Å; Y577-W585 HydrophobicContact CD1-CE3 4.38Å; Y577-W585 AromaticContact CD2-CE3 3.9Å; Y577-W585 HydrophobicContact CD2-CE3 3.9Å; Y577-W585 HydrophobicContact CD2-CZ3 4.2Å; Y577-W585 HydrophobicContact CE1-CE3 4.42Å; Y577-W585 AromaticContact CE2-CE3 3.93Å; Y577-W585 HydrophobicContact CE2-CE3 3.93Å; Y577-W585 HydrophobicContact CE2-CZ3 4.08Å; Y577-W585 HydrophobicContact CG-CE3 4.14Å; W585-S587 PolarHBondContact O-N 3.1Å; W585-S587 VanDerWaalsContact O-N 3.16Å; W585-R588 WeakPolarHBondContact O-CB 3.47Å; W585-R588 VanDerWaalsContact O-CG 3.25Å; W585-R588 WeakPolarHBondContact O-CG 3.32Å; W585-R588 PolarHBondContact O-N 2.82Å; W585-R588 VanDerWaalsContact O-N 3.17Å |
| 586 | E | 92.3 | Very high | 93.6 | Very high | 81 Ų | 81 | 65.6 Ų | 65.6 | 38% | 0.379 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -64 | -22.1 | -179 | -68 | 76.2 | -171.4 | 0 | 0 | 112.8 | K574 E584 | K574-E586 WeakPolarHBondContact CD-OE1 3.47Å; K574-E586 WeakPolarHBondContact CE-OE1 3.3Å; K574-E586 IonicContact NZ-OE1 3.54Å; K574-E586 PolarHBondContact NZ-OE1 3.28Å; E584-E586 VanDerWaalsContact C-N 3.3Å; E584-E586 PolarHBondContact O-N 3.43Å |
| 587 | S | 89.9 | Confident | 93.5 | Very high | 62 Ų | 62 | 68.7 Ų | 68.7 | 43% | 0.434 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -101.9 | 10.1 | -178.3 | -61.5 | 0 | 0 | 0 | 0 | 113.2 | E584 W585 K589 N590 | E584-S587 PolarHBondContact O-N 2.95Å; W585-S587 PolarHBondContact O-N 3.1Å; W585-S587 VanDerWaalsContact O-N 3.16Å; S587-K589 PolarHBondContact O-N 2.72Å; S587-K589 VanDerWaalsContact O-N 3.08Å; S587-N590 CarbonylContact O-C 3.58Å; S587-N590 PolarHBondContact O-N 2.7Å |
| 588 | R | 87.4 | Confident | 93.4 | Very high | 69 Ų | 69 | 70 Ų | 70 | 26% | 0.26 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -56.9 | -25.6 | -176.9 | 68 | -173.4 | -72.3 | -118 | 0.2 | 115.3 | E584 W585 N590 F591 E600 | E584-R588 PolarHBondContact O-N 3.26Å; W585-R588 WeakPolarHBondContact O-CB 3.47Å; W585-R588 VanDerWaalsContact O-CG 3.25Å; W585-R588 WeakPolarHBondContact O-CG 3.32Å; W585-R588 PolarHBondContact O-N 2.82Å; W585-R588 VanDerWaalsContact O-N 3.17Å; R588-N590 PolarHBondContact O-N 2.71Å; R588-F591 WeakPolarHBondContact O-CB 3.33Å; R588-F591 PolarHBondContact O-N 3.4Å; R588-E600 IonicContact CZ-OE1 2.94Å; R588-E600 IonicContact NE-OE1 3.63Å; R588-E600 PolarHBondContact NE-OE1 3.28Å; R588-E600 VanDerWaalsContact NE-OE1 3.14Å; R588-E600 IonicContact NE-OE2 3.83Å; R588-E600 IonicContact NH2-OE1 2.72Å; R588-E600 PolarHBondContact NH2-OE1 2.81Å |
| 589 | K | 86.3 | Confident | 93.2 | Very high | 184 Ų | 184 | 67.3 Ų | 67.3 | 80% | 0.8 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -66.1 | -20.8 | 173.8 | -66.2 | -169.1 | 178.9 | -173.4 | 0 | 113.3 | S587 | S587-K589 PolarHBondContact O-N 2.72Å; S587-K589 VanDerWaalsContact O-N 3.08Å |
| 590 | N | 90.1 | Very high | 93 | Very high | 129 Ų | 129 | 63.6 Ų | 63.6 | 69% | 0.69 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -113.9 | 39.7 | 176.1 | -64 | -41.3 | 0 | 0 | 0 | 110.5 | S587 R588 R592 | S587-N590 CarbonylContact O-C 3.58Å; S587-N590 PolarHBondContact O-N 2.7Å; R588-N590 PolarHBondContact O-N 2.71Å; N590-R592 PolarHBondContact O-N 3.37Å |
| 591 | F | 92.4 | Very high | 92.6 | Very high | 41 Ų | 41 | 61.9 Ų | 61.9 | 18% | 0.18 | 30% | 0.297 | C | S | . | . | trans | -55 | 133.8 | -176.2 | -168.8 | -85.1 | 0 | 0 | 0 | 111.6 | Y577 T581 N583 R588 Y599 E600 | Y577-F591 WeakPolarHBondContact OH-CD2 3.46Å; Y577-F591 WeakPolarHBondContact OH-CE2 3.44Å; T581-F591 HydrophobicContact CG2-CE2 3.95Å; T581-F591 HydrophobicContact CG2-CZ 4.24Å; N583-F591 HydrophobicContact CB-CD2 4.18Å; N583-F591 HydrophobicContact CB-CE2 4.16Å; R588-F591 WeakPolarHBondContact O-CB 3.33Å; R588-F591 PolarHBondContact O-N 3.4Å; F591-Y599 AromaticContact CD1-CD2 3.94Å; F591-Y599 HydrophobicContact CD1-CD2 3.94Å; F591-Y599 AromaticContact CD1-CE2 3.9Å; F591-Y599 HydrophobicContact CD1-CE2 3.9Å; F591-Y599 AromaticContact CE1-CD2 3.54Å; F591-Y599 HydrophobicContact CE1-CD2 3.54Å; F591-Y599 HydrophobicContact CE1-CE2 4.01Å; F591-Y599 HydrophobicContact CE1-CG 4.25Å; F591-E600 HydrophobicContact CD2-CB 3.94Å; F591-E600 HydrophobicContact CE2-CB 3.7Å; F591-E600 HydrophobicContact CZ-CB 4.19Å | ||
| 592 | R | 93.5 | Very high | 91.9 | Very high | 196 Ų | 196 | 66.6 Ų | 66.6 | 74% | 0.74 | 32% | 0.319 | S | S | * | . | trans | -120.9 | 128.6 | 172.6 | -64.8 | -173.5 | -179.6 | -159.6 | -0.8 | 110.2 | N583 N590 V594 | N583-R592 PolarHBondContact ND2-O 2.8Å; N583-R592 PolarHBondContact OD1-N 3.14Å; N583-R592 PolarHBondContact OD1-O 3.12Å; N590-R592 PolarHBondContact O-N 3.37Å; R592-V594 PolarHBondContact O-N 2.87Å | ||
| 593 | K | 94.7 | Very high | 90.8 | Very high | 27 Ų | 27 | 66.1 Ų | 66.1 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 122.5 | 174 | 178.5 | 63.7 | 175.8 | 64.9 | 0 | 109.9 | E288 W289 K597 Y599 | E288-K593 HydrophobicContact CB-CG 4.34Å; E288-K593 WeakPolarHBondContact CB-O 3.35Å; E288-K593 HydrophobicContact CG-CB 3.85Å; E288-K593 HydrophobicContact CG-CG 3.91Å; E288-K593 PolarHBondContact O-NZ 3.48Å; W289-K593 HydrophobicContact CD2-CG 4.01Å; W289-K593 HydrophobicContact CE3-CD 4.26Å; W289-K593 HydrophobicContact CE3-CG 4.15Å; W289-K593 HydrophobicContact CH2-CB 4.39Å; W289-K593 HydrophobicContact CH2-CD 4.03Å; W289-K593 HydrophobicContact CH2-CG 4.03Å; W289-K593 HydrophobicContact CZ2-CB 3.96Å; W289-K593 HydrophobicContact CZ2-CD 4.36Å; W289-K593 HydrophobicContact CZ2-CG 3.85Å; W289-K593 HydrophobicContact CZ3-CD 3.96Å; W289-K593 HydrophobicContact CZ3-CG 4.17Å; K593-K597 WeakPolarHBondContact CE-O 3.21Å; K593-K597 PolarHBondContact NZ-O 2.89Å; K593-Y599 HydrophobicContact CB-CD2 4.2Å; K593-Y599 HydrophobicContact CD-CD2 4.08Å |
| 594 | V | 93.2 | Very high | 89.5 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 30% | 0.297 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 136.7 | 174.3 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | R592 H596 K597 | R592-V594 PolarHBondContact O-N 2.87Å; V594-H596 PolarHBondContact O-N 3.35Å; V594-K597 HydrophobicContact CB-CB 3.99Å; V594-K597 HydrophobicContact CB-CG 3.92Å; V594-K597 HydrophobicContact CG1-CB 4.38Å; V594-K597 HydrophobicContact CG1-CG 3.78Å; V594-K597 WeakPolarHBondContact O-CB 3.41Å; V594-K597 PolarHBondContact O-N 2.85Å; V594-K597 VanDerWaalsContact O-N 3.13Å |
| 595 | P | 90.3 | Very high | 87.7 | Confident | 50 Ų | 50 | 64 Ų | 64 | 33% | 0.325 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | 136 | 175.1 | -32 | 36.7 | 0 | 0 | 0 | 113.7 | M285 K597 | M285-P595 HydrophobicContact CE-CB 3.87Å; M285-P595 HydrophobicContact CE-CG 4.27Å; M285-P595 HydrophobicContact CG-CB 3.93Å; M285-P595 HydrophobicContact CG-CG 4.12Å; M285-P595 HydrophobicContact SD-CB 4.12Å; P595-K597 PolarHBondContact O-N 3.23Å |
| 596 | H | 89 | Confident | 85.5 | Confident | 105 Ų | 105 | 70.2 Ų | 70.2 | 49% | 0.486 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 9.2 | -179.7 | -49.8 | -53.8 | 0 | 0 | 0 | 116.2 | V594 | V594-H596 PolarHBondContact O-N 3.35Š|
| 597 | K | 94.7 | Very high | 83.3 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -105.6 | 158.8 | 172.4 | -61.7 | -66.9 | -172.7 | 171.3 | 0 | 110.7 | E579 K580 K593 V594 P595 | E579-K597 PolarHBondContact O-NZ 2.79Å; K580-K597 WeakPolarHBondContact O-CB 3.2Å; K593-K597 WeakPolarHBondContact CE-O 3.21Å; K593-K597 PolarHBondContact NZ-O 2.89Å; V594-K597 HydrophobicContact CB-CB 3.99Å; V594-K597 HydrophobicContact CB-CG 3.92Å; V594-K597 HydrophobicContact CG1-CB 4.38Å; V594-K597 HydrophobicContact CG1-CG 3.78Å; V594-K597 WeakPolarHBondContact O-CB 3.41Å; V594-K597 PolarHBondContact O-N 2.85Å; V594-K597 VanDerWaalsContact O-N 3.13Å; P595-K597 PolarHBondContact O-N 3.23Å |
| 598 | F | 95.5 | Very high | 81.1 | Confident | 28 Ų | 28 | 67.7 Ų | 67.7 | 12% | 0.123 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -70 | 153.9 | 177.6 | -73.2 | -100.3 | 0 | 0 | 0 | 111.7 | L516 M518 K580 | L516-F598 HydrophobicContact CB-CB 3.67Å; L516-F598 HydrophobicContact CB-CD1 3.97Å; L516-F598 HydrophobicContact CB-CG 4.11Å; L516-F598 HydrophobicContact CD1-CB 4.1Å; L516-F598 HydrophobicContact CG-CB 4.49Å; M518-F598 HydrophobicContact CB-CD1 3.55Å; M518-F598 HydrophobicContact CB-CE1 3.73Å; M518-F598 HydrophobicContact CB-CG 3.99Å; M518-F598 HydrophobicContact CB-CZ 4.31Å; M518-F598 HydrophobicContact CE-CD2 4.45Å; M518-F598 HydrophobicContact CE-CE2 3.97Å; M518-F598 HydrophobicContact CE-CZ 3.99Å; M518-F598 HydrophobicContact SD-CD2 4.49Å; K580-F598 HydrophobicContact CB-CD2 4.38Å; K580-F598 PolarHBondContact O-N 3.17Å |
| 599 | Y | 94.5 | Very high | 79.1 | Confident | 37 Ų | 37 | 68.9 Ų | 68.9 | 15% | 0.145 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 139 | 170.1 | -173.7 | -101.5 | 0 | 0 | 0 | 109.7 | W289 L516 G517 F591 K593 L601 E666 T704 L705 | W289-Y599 HydrophobicContact CH2-CD1 4.47Å; W289-Y599 AromaticContact CH2-CD2 3.61Å; W289-Y599 HydrophobicContact CH2-CD2 3.61Å; W289-Y599 HydrophobicContact CH2-CE2 4.05Å; W289-Y599 AromaticContact CH2-CG 3.85Å; W289-Y599 HydrophobicContact CH2-CG 3.85Å; W289-Y599 HydrophobicContact CZ2-CD2 4.19Å; W289-Y599 HydrophobicContact CZ2-CE2 4.31Å; W289-Y599 HydrophobicContact CZ3-CG 4.49Å; L516-Y599 CarbonylContact C-O 3.59Å; L516-Y599 WeakPolarHBondContact CA-O 3.48Å; G517-Y599 PolarHBondContact N-O 2.97Å; G517-Y599 PolarHBondContact O-N 2.53Å; F591-Y599 AromaticContact CD1-CD2 3.94Å; F591-Y599 HydrophobicContact CD1-CD2 3.94Å; F591-Y599 AromaticContact CD1-CE2 3.9Å; F591-Y599 HydrophobicContact CD1-CE2 3.9Å; F591-Y599 AromaticContact CE1-CD2 3.54Å; F591-Y599 HydrophobicContact CE1-CD2 3.54Å; F591-Y599 HydrophobicContact CE1-CE2 4.01Å; F591-Y599 HydrophobicContact CE1-CG 4.25Å; K593-Y599 HydrophobicContact CB-CD2 4.2Å; K593-Y599 HydrophobicContact CD-CD2 4.08Å; Y599-L601 HydrophobicContact CD1-CD2 4.16Å; Y599-E666 PolarHBondContact OH-OE2 2.69Å; Y599-T704 HydrophobicContact CD1-CG2 4.17Å; Y599-T704 HydrophobicContact CG-CG2 4.19Å; Y599-L705 HydrophobicContact CD1-CD2 4.36Å; Y599-L705 HydrophobicContact CE1-CD2 3.56Å |
| 600 | E | 92.7 | Very high | 77 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 127.3 | 174.5 | -176.4 | 174.5 | -172.8 | 0 | 0 | 110.7 | L516 Y577 R588 F591 | L516-E600 HydrophobicContact CD2-CB 3.83Å; L516-E600 HydrophobicContact CD2-CG 4.04Å; Y577-E600 PolarHBondContact OH-OE2 2.68Å; R588-E600 IonicContact CZ-OE1 2.94Å; R588-E600 IonicContact NE-OE1 3.63Å; R588-E600 PolarHBondContact NE-OE1 3.28Å; R588-E600 VanDerWaalsContact NE-OE1 3.14Å; R588-E600 IonicContact NE-OE2 3.83Å; R588-E600 IonicContact NH2-OE1 2.72Å; R588-E600 PolarHBondContact NH2-OE1 2.81Å; F591-E600 HydrophobicContact CD2-CB 3.94Å; F591-E600 HydrophobicContact CE2-CB 3.7Å; F591-E600 HydrophobicContact CZ-CB 4.19Å |
| 601 | L | 88.4 | Confident | 74.6 | Confident | 9 Ų | 9 | 61.6 Ų | 61.6 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 128.5 | 175.4 | -53.3 | -178.4 | 0 | 0 | 0 | 109.4 | V515 Y599 L603 T704 P707 | V515-L601 HydrophobicContact CG1-CD1 4.13Å; V515-L601 PolarHBondContact O-N 3.21Å; Y599-L601 HydrophobicContact CD1-CD2 4.16Å; L601-L603 PolarHBondContact O-N 3.04Å; L601-T704 WeakPolarHBondContact CD2-O 3.17Å; L601-P707 HydrophobicContact CD1-CG 3.58Å |
| 602 | E | 81.5 | Confident | 72.6 | Confident | 99 Ų | 99 | 67 Ų | 67 | 46% | 0.463 | 33% | 0.329 | S | S | . | . | trans | -74.8 | 110.5 | 174.5 | -171.7 | -178.9 | 174.6 | 0 | 0 | 109.4 | S660 N662 Q663 | E602-S660 WeakPolarHBondContact O-CB 3.39Å; E602-N662 PolarHBondContact OE1-ND2 3.16Å; E602-N662 WeakPolarHBondContact OE2-CB 3.45Å; E602-Q663 PolarHBondContact O-OE1 3.23Å | ||
| 603 | L | 73.6 | Confident | 70.8 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | trans | -110.6 | 132.8 | 179.3 | -65.1 | 178.8 | 0 | 0 | 0 | 109.6 | V515 L601 Y605 K658 | V515-L603 HydrophobicContact CB-CD1 3.54Å; V515-L603 HydrophobicContact CG1-CD1 4.25Å; V515-L603 HydrophobicContact CG2-CD1 3.33Å; L601-L603 PolarHBondContact O-N 3.04Å; L603-Y605 HydrophobicContact CB-CD2 4.17Å; L603-Y605 HydrophobicContact CB-CE2 3.65Å; L603-Y605 HydrophobicContact CD1-CE2 4.5Å; L603-Y605 WeakPolarHBondContact O-CD2 3.4Å; L603-Y605 PolarHBondContact O-N 3.3Å; L603-K658 HydrophobicContact CB-CB 4.05Å; L603-K658 HydrophobicContact CB-CD 4.2Å; L603-K658 HydrophobicContact CD1-CD 3.88Å; L603-K658 HydrophobicContact CD2-CB 3.94Å; L603-K658 WeakPolarHBondContact CD2-O 3.48Å; L603-K658 HydrophobicContact CG-CB 4.39Å; L603-K658 HydrophobicContact CG-CD 4.47Å | ||
| 604 | D | 67.8 | Low | 68.8 | Low | 31 Ų | 31 | 63.8 Ų | 63.8 | 17% | 0.166 | 32% | 0.323 | C | S | . | . | trans | -75.2 | 94.7 | 175.8 | -166.2 | -9.3 | 0 | 0 | 0 | 109.7 | N606 K658 K742 | D604-N606 VanDerWaalsContact C-N 3.25Å; D604-N606 VanDerWaalsContact OD1-CB 3.29Å; D604-N606 WeakPolarHBondContact OD1-CB 3.24Å; D604-N606 PolarHBondContact OD1-N 3.3Å; D604-K658 PolarHBondContact N-O 3.03Å; D604-K742 WeakPolarHBondContact OD2-CE 3.35Å; D604-K742 IonicContact OD2-NZ 3.4Å; D604-K742 PolarHBondContact OD2-NZ 2.85Å | ||
| 605 | Y | 58.3 | Low | 66.8 | Low | 37 Ų | 37 | 64.8 Ų | 64.8 | 15% | 0.145 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -6.2 | 174.2 | -69.5 | -83.3 | 0 | 0 | 0 | 112.7 | T513 L603 S607 K658 | T513-Y605 HydrophobicContact CG2-CD1 4.34Å; T513-Y605 HydrophobicContact CG2-CD2 4.5Å; T513-Y605 HydrophobicContact CG2-CE1 3.71Å; T513-Y605 HydrophobicContact CG2-CE2 3.91Å; T513-Y605 VanDerWaalsContact CG2-CZ 3.5Å; T513-Y605 PolarHBondContact OG1-OH 2.82Å; L603-Y605 HydrophobicContact CB-CD2 4.17Å; L603-Y605 HydrophobicContact CB-CE2 3.65Å; L603-Y605 HydrophobicContact CD1-CE2 4.5Å; L603-Y605 WeakPolarHBondContact O-CD2 3.4Å; L603-Y605 PolarHBondContact O-N 3.3Å; Y605-S607 PolarHBondContact O-N 3.11Å; Y605-K658 HydrophobicContact CE1-CD 4.15Å; Y605-K658 VanDerWaalsContact CE1-NZ 3.34Å |
| 606 | N | 49.9 | Very low | 65.3 | Low | 133 Ų | 133 | 69.3 Ų | 69.3 | 71% | 0.711 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 3.8 | -174.2 | -63 | -35.5 | 0 | 0 | 0 | 113.4 | D604 S608 | D604-N606 VanDerWaalsContact C-N 3.25Å; D604-N606 VanDerWaalsContact OD1-CB 3.29Å; D604-N606 WeakPolarHBondContact OD1-CB 3.24Å; D604-N606 PolarHBondContact OD1-N 3.3Å; N606-S608 VanDerWaalsContact C-N 3.28Å; N606-S608 PolarHBondContact O-N 2.66Å; N606-S608 PolarHBondContact O-OG 3.03Å; N606-S608 VanDerWaalsContact O-OG 3.09Å |
| 607 | S | 46.4 | Very low | 64.3 | Low | 16 Ų | 16 | 66 Ų | 66 | 11% | 0.112 | 34% | 0.339 | C | S | . | . | trans | -62.9 | 88.1 | 173.2 | 109.4 | 0 | 0 | 0 | 0 | 109.3 | M485 Y605 K609 G657 Q745 | M485-S607 WeakPolarHBondContact CE-O 3.35Å; Y605-S607 PolarHBondContact O-N 3.11Å; S607-K609 PolarHBondContact O-N 2.76Å; S607-G657 WeakPolarHBondContact CB-O 3.29Å; S607-G657 PolarHBondContact OG-O 3.48Å; S607-Q745 VanDerWaalsContact CB-NE2 3.27Å; S607-Q745 PolarHBondContact OG-NE2 2.88Å | ||
| 608 | S | 43 | Very low | 63.4 | Low | 74 Ų | 74 | 70.6 Ų | 70.6 | 52% | 0.517 | 37% | 0.367 | S | S | . | . | trans | -73.4 | 119.9 | -173.2 | -62.9 | 0 | 0 | 0 | 0 | 109.2 | N606 | N606-S608 VanDerWaalsContact C-N 3.28Å; N606-S608 PolarHBondContact O-N 2.66Å; N606-S608 PolarHBondContact O-OG 3.03Å; N606-S608 VanDerWaalsContact O-OG 3.09Å | ||
| 609 | K | 44.7 | Very low | 62.7 | Low | 94 Ų | 94 | 71.9 Ų | 71.9 | 41% | 0.409 | 37% | 0.374 | S | S | . | . | trans | 69.9 | 84.8 | 177.7 | -52.5 | -179.4 | 179.3 | -175.9 | 0 | 114.9 | S607 N611 | S607-K609 PolarHBondContact O-N 2.76Å; K609-N611 PolarHBondContact O-N 3.46Å | ||
| 610 | T | 42.6 | Very low | 62.2 | Low | 47 Ų | 47 | 75.3 Ų | 75.3 | 29% | 0.288 | 40% | 0.401 | S | S | . | . | trans | -75.7 | 54.2 | 149.3 | 54.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 611 | N | 40.7 | Very low | 61.9 | Low | 112 Ų | 112 | 75.6 Ų | 75.6 | 60% | 0.599 | 40% | 0.404 | S | S | * | . | trans | -70.1 | 136 | 154.4 | -74.6 | -10.2 | 0 | 0 | 0 | 104.8 | K609 I613 | K609-N611 PolarHBondContact O-N 3.46Å; N611-I613 PolarHBondContact O-N 2.78Å | ||
| 612 | E | 49.7 | Very low | 61.9 | Low | 155 Ų | 155 | 84 Ų | 84 | 72% | 0.724 | 44% | 0.441 | S | S | * | . | trans | -36.1 | 120.6 | 174.4 | -68.2 | 173.2 | 171.4 | 0 | 0 | 108.6 | Q614 | E612-Q614 VanDerWaalsContact C-N 3.29Å; E612-Q614 WeakPolarHBondContact O-CA 3.5Å; E612-Q614 WeakPolarHBondContact O-CG 3.29Å; E612-Q614 PolarHBondContact O-N 3.32Å | ||
| 613 | I | 55.3 | Low | 62.3 | Low | 38 Ų | 38 | 80.6 Ų | 80.6 | 20% | 0.195 | 43% | 0.426 | C | S | . | . | trans | -54.3 | 102.8 | 177.4 | -73 | 163.2 | 0 | 0 | 0 | 105.3 | N611 T615 V637 Y741 L744 | N611-I613 PolarHBondContact O-N 2.78Å; I613-T615 VanDerWaalsContact C-N 3.29Å; I613-T615 HydrophobicContact CG2-CG2 4.37Å; I613-T615 PolarHBondContact O-N 3.39Å; I613-V637 HydrophobicContact CB-CG2 4.3Å; I613-V637 HydrophobicContact CD1-CG2 3.27Å; I613-V637 HydrophobicContact CG1-CG2 4.34Å; I613-V637 HydrophobicContact CG2-CG2 4.43Å; I613-Y741 HydrophobicContact CD1-CD2 4.48Å; I613-Y741 HydrophobicContact CD1-CE2 4.03Å; I613-L744 HydrophobicContact CD1-CB 3.71Å; I613-L744 HydrophobicContact CD1-CD1 4.07Å; I613-L744 HydrophobicContact CG1-CB 4.21Å; I613-L744 HydrophobicContact CG2-CB 4.46Å | ||
| 614 | Q | 52.2 | Low | 63.2 | Low | 117 Ų | 117 | 84.7 Ų | 84.7 | 55% | 0.547 | 44% | 0.444 | S | S | . | . | trans | -76.4 | 87.2 | -164.8 | -72 | -171.3 | -7.3 | 0 | 0 | 107.2 | E612 I616 P754 | E612-Q614 VanDerWaalsContact C-N 3.29Å; E612-Q614 WeakPolarHBondContact O-CA 3.5Å; E612-Q614 WeakPolarHBondContact O-CG 3.29Å; E612-Q614 PolarHBondContact O-N 3.32Å; Q614-I616 PolarHBondContact O-N 2.86Å; Q614-P754 HydrophobicContact CB-CG 4.11Å; Q614-P754 WeakPolarHBondContact O-CB 3.3Å; Q614-P754 WeakPolarHBondContact O-CG 3.47Å | ||
| 615 | T | 52.2 | Low | 64.4 | Low | 71 Ų | 71 | 87.5 Ų | 87.5 | 44% | 0.436 | 46% | 0.464 | S | S | . | . | trans | -76.7 | -10.5 | 172.5 | 51.8 | 0 | 0 | 0 | 0 | 112 | I613 | I613-T615 VanDerWaalsContact C-N 3.29Å; I613-T615 HydrophobicContact CG2-CG2 4.37Å; I613-T615 PolarHBondContact O-N 3.39Å | ||
| 616 | I | 58.7 | Low | 66 | Low | 144 Ų | 144 | 86.3 Ų | 86.3 | 74% | 0.738 | 46% | 0.462 | S | S | * | . | trans | -115 | 112.5 | -176.3 | -53.9 | 173.7 | 0 | 0 | 0 | 108.1 | Q614 | Q614-I616 PolarHBondContact O-N 2.86Š| ||
| 617 | S | 68.3 | Low | 68.1 | Low | 37 Ų | 37 | 80.5 Ų | 80.5 | 26% | 0.259 | 43% | 0.43 | S | S | . | . | trans | -129.3 | 143.3 | 173.5 | 177.1 | 0 | 0 | 0 | 0 | 109.1 | I619 P754 | S617-I619 PolarHBondContact O-N 2.66Å; S617-I619 WeakPolarHBondContact OG-CB 3.15Å; S617-I619 PolarHBondContact OG-N 3.16Å; S617-I619 VanDerWaalsContact OG-N 3.15Å; S617-P754 VanDerWaalsContact CB-CD 3.47Å | ||
| 618 | N | 74.5 | Confident | 70.3 | Confident | 170 Ų | 170 | 82 Ų | 82 | 91% | 0.909 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -75.2 | -4.1 | 172.4 | -67.5 | -19.4 | 0 | 0 | 0 | 112.2 | ||
| 619 | I | 81.9 | Confident | 72.7 | Confident | 55 Ų | 55 | 81 Ų | 81 | 28% | 0.282 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -87.3 | 124.9 | 179 | -61.1 | 165.2 | 0 | 0 | 0 | 108.6 | S617 C621 S750 K751 N753 | S617-I619 PolarHBondContact O-N 2.66Å; S617-I619 WeakPolarHBondContact OG-CB 3.15Å; S617-I619 PolarHBondContact OG-N 3.16Å; S617-I619 VanDerWaalsContact OG-N 3.15Å; I619-C621 PolarHBondContact O-N 3.05Å; I619-S750 VanDerWaalsContact CD1-O 3.31Å; I619-S750 WeakPolarHBondContact CD1-O 2.95Å; I619-K751 VanDerWaalsContact CD1-C 3.44Å; I619-N753 HydrophobicContact CG2-CB 4.48Å; I619-N753 PolarHBondContact O-ND2 3.06Å |
| 620 | P | 83.8 | Confident | 75 | Confident | 109 Ų | 109 | 76.5 Ų | 76.5 | 71% | 0.708 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -57 | 133.4 | 176.6 | -25.1 | 34.3 | 0 | 0 | 0 | 112.4 | ||
| 621 | C | 86 | Confident | 77.5 | Confident | 23 Ų | 23 | 74.3 Ų | 74.3 | 16% | 0.155 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 139.2 | 174.2 | 179 | 0 | 0 | 0 | 0 | 110.2 | I619 Q628 N753 D756 | I619-C621 PolarHBondContact O-N 3.05Å; C621-Q628 HydrophobicContact CB-CG 4.33Å; C621-N753 HydrophobicContact CB-CB 4.26Å; C621-D756 PolarHBondContact SG-OD1 3.45Å |
| 622 | K | 88.8 | Confident | 79.9 | Confident | 186 Ų | 186 | 74.7 Ų | 74.7 | 81% | 0.809 | 39% | 0.392 | S | S | * | . | trans | -86.1 | -14.1 | -176.6 | -62.1 | 178.2 | -175.5 | 175.5 | 0 | 113.3 | D756 | K622-D756 PolarHBondContact N-OD1 3.45Š| ||
| 623 | L | 91.1 | Very high | 82 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 15% | 0.147 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -77.4 | 153.4 | -174.5 | -58.3 | 173.1 | 0 | 0 | 0 | 112 | L627 Q628 L631 Y759 | L623-L627 HydrophobicContact CB-CB 4.18Å; L623-Q628 HydrophobicContact CB-CG 4.13Å; L623-Q628 PolarHBondContact O-NE2 3.27Å; L623-L631 HydrophobicContact CD1-CD1 3.32Å; L623-Y759 HydrophobicContact CD1-CD1 4.24Å; L623-Y759 HydrophobicContact CD1-CD2 4.24Å; L623-Y759 HydrophobicContact CD1-CG 3.79Å; L623-Y759 HydrophobicContact CD2-CD1 3.67Å; L623-Y759 HydrophobicContact CD2-CE1 3.88Å; L623-Y759 HydrophobicContact CD2-CG 4.03Å |
| 624 | H | 92 | Very high | 83.8 | Confident | 102 Ų | 102 | 66.7 Ų | 66.7 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | trans | -55.6 | 142.8 | 173.8 | -173.5 | -91.9 | 0 | 0 | 0 | 111.2 | A626 L627 Q628 P768 | H624-A626 VanDerWaalsContact ND1-CB 3.34Å; H624-A626 WeakPolarHBondContact ND1-CB 3.42Å; H624-A626 PolarHBondContact ND1-N 3.08Å; H624-A626 VanDerWaalsContact ND1-N 3.16Å; H624-A626 PolarHBondContact O-N 3.29Å; H624-A626 VanDerWaalsContact O-N 3.09Å; H624-L627 HydrophobicContact CB-CD1 4.16Å; H624-L627 HydrophobicContact CB-CG 4.31Å; H624-L627 WeakPolarHBondContact O-CA 3.15Å; H624-L627 WeakPolarHBondContact O-CB 3.34Å; H624-L627 PolarHBondContact O-N 3.31Å; H624-Q628 PolarHBondContact O-N 2.88Å; H624-P768 HydrophobicContact CB-CG 4.34Å | ||
| 625 | P | 92.2 | Very high | 85.6 | Confident | 90 Ų | 90 | 61.3 Ų | 61.3 | 58% | 0.584 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -52.7 | -36.8 | -178.3 | -29.9 | 36 | 0 | 0 | 0 | 114.7 | L627 Q628 S629 | P625-L627 PolarHBondContact O-N 3.34Å; P625-Q628 PolarHBondContact O-N 2.97Å; P625-S629 PolarHBondContact O-N 3.5Å |
| 626 | A | 92.5 | Very high | 87.3 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H624 S629 L630 P768 F802 | H624-A626 VanDerWaalsContact ND1-CB 3.34Å; H624-A626 WeakPolarHBondContact ND1-CB 3.42Å; H624-A626 PolarHBondContact ND1-N 3.08Å; H624-A626 VanDerWaalsContact ND1-N 3.16Å; H624-A626 PolarHBondContact O-N 3.29Å; H624-A626 VanDerWaalsContact O-N 3.09Å; A626-S629 PolarHBondContact O-N 3.17Å; A626-L630 WeakPolarHBondContact O-CB 3.19Å; A626-L630 PolarHBondContact O-N 3.45Å; A626-P768 HydrophobicContact CB-CG 4.33Å; A626-F802 HydrophobicContact CB-CE1 3.9Å; A626-F802 HydrophobicContact CB-CZ 3.98Å |
| 627 | L | 93 | Very high | 88.6 | Confident | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.1 | -40.5 | 175.3 | -68.9 | 173.1 | 0 | 0 | 0 | 111.3 | L623 H624 P625 S629 L630 L631 L766 F802 | L623-L627 HydrophobicContact CB-CB 4.18Å; H624-L627 HydrophobicContact CB-CD1 4.16Å; H624-L627 HydrophobicContact CB-CG 4.31Å; H624-L627 WeakPolarHBondContact O-CA 3.15Å; H624-L627 WeakPolarHBondContact O-CB 3.34Å; H624-L627 PolarHBondContact O-N 3.31Å; P625-L627 PolarHBondContact O-N 3.34Å; L627-S629 VanDerWaalsContact C-N 3.27Å; L627-S629 PolarHBondContact O-N 2.92Å; L627-L630 PolarHBondContact O-N 3.34Å; L627-L631 WeakPolarHBondContact O-CB 3.33Å; L627-L631 WeakPolarHBondContact O-CG 3.41Å; L627-L631 PolarHBondContact O-N 2.52Å; L627-L766 WeakPolarHBondContact CD1-O 3.44Å; L627-L766 HydrophobicContact CD2-CB 3.55Å; L627-L766 HydrophobicContact CD2-CD1 4.43Å; L627-F802 HydrophobicContact CD2-CD1 3.67Å; L627-F802 HydrophobicContact CD2-CE1 3.64Å; L627-F802 HydrophobicContact CG-CE1 4.18Å |
| 628 | Q | 92.9 | Very high | 89.4 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 22% | 0.224 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 174.2 | -61.9 | -175.8 | 30.9 | 0 | 0 | 111.3 | C621 L623 H624 P625 L631 K632 L755 | C621-Q628 HydrophobicContact CB-CG 4.33Å; L623-Q628 HydrophobicContact CB-CG 4.13Å; L623-Q628 PolarHBondContact O-NE2 3.27Å; H624-Q628 PolarHBondContact O-N 2.88Å; P625-Q628 PolarHBondContact O-N 2.97Å; Q628-L631 PolarHBondContact O-N 3.38Å; Q628-K632 WeakPolarHBondContact O-CB 3.44Å; Q628-K632 VanDerWaalsContact O-CG 3.29Å; Q628-K632 WeakPolarHBondContact O-CG 3.47Å; Q628-K632 PolarHBondContact O-N 2.88Å; Q628-L755 HydrophobicContact CB-CD1 4.36Å |
| 629 | S | 93.2 | Very high | 90 | Very high | 52 Ų | 52 | 52.6 Ų | 52.6 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 176.4 | -174.6 | 0 | 0 | 0 | 0 | 112.1 | P625 A626 L627 F633 R970 | P625-S629 PolarHBondContact O-N 3.5Å; A626-S629 PolarHBondContact O-N 3.17Å; L627-S629 VanDerWaalsContact C-N 3.27Å; L627-S629 PolarHBondContact O-N 2.92Å; S629-F633 PolarHBondContact O-N 3.49Å; S629-F633 VanDerWaalsContact O-N 3.16Å; S629-R970 PolarHBondContact O-NH1 2.87Å; S629-R970 PolarHBondContact OG-NH1 2.96Å |
| 630 | L | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63 | -46.4 | 175.1 | 175.4 | 65.6 | 0 | 0 | 0 | 111.9 | A626 L627 F633 I634 L766 F802 L884 L968 | A626-L630 WeakPolarHBondContact O-CB 3.19Å; A626-L630 PolarHBondContact O-N 3.45Å; L627-L630 PolarHBondContact O-N 3.34Å; L630-F633 WeakPolarHBondContact O-CA 3.48Å; L630-F633 WeakPolarHBondContact O-CB 3.32Å; L630-F633 PolarHBondContact O-N 3.35Å; L630-F633 VanDerWaalsContact O-N 3.08Å; L630-I634 HydrophobicContact CD1-CG2 4.21Å; L630-I634 PolarHBondContact O-N 3.47Å; L630-L766 HydrophobicContact CD2-CD1 3.78Å; L630-F802 HydrophobicContact CB-CE2 4.43Å; L630-F802 HydrophobicContact CB-CZ 4.16Å; L630-F802 HydrophobicContact CD2-CD2 4.14Å; L630-F802 HydrophobicContact CD2-CE1 4.45Å; L630-F802 HydrophobicContact CD2-CE2 3.99Å; L630-F802 HydrophobicContact CD2-CG 4.44Å; L630-F802 HydrophobicContact CD2-CZ 4.15Å; L630-L884 HydrophobicContact CD1-CD1 3.79Å; L630-L884 HydrophobicContact CD1-CD2 3.67Å; L630-L884 HydrophobicContact CD1-CG 4.38Å; L630-L968 HydrophobicContact CD1-CD2 4.06Å; L630-L968 HydrophobicContact CD2-CD2 3.83Å |
| 631 | L | 93.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 179.8 | -71.5 | 168.2 | 0 | 0 | 0 | 111.7 | L623 L627 Q628 F633 I634 C635 L755 Y759 L762 | L623-L631 HydrophobicContact CD1-CD1 3.32Å; L627-L631 WeakPolarHBondContact O-CB 3.33Å; L627-L631 WeakPolarHBondContact O-CG 3.41Å; L627-L631 PolarHBondContact O-N 2.52Å; Q628-L631 PolarHBondContact O-N 3.38Å; L631-F633 PolarHBondContact O-N 3.02Å; L631-I634 HydrophobicContact CD2-CD1 4.26Å; L631-I634 PolarHBondContact O-N 2.89Å; L631-C635 WeakPolarHBondContact O-CB 3.05Å; L631-C635 PolarHBondContact O-N 3.29Å; L631-C635 PolarHBondContact O-SG 2.84Å; L631-L755 HydrophobicContact CB-CD2 4.06Å; L631-L755 HydrophobicContact CD1-CB 4.39Å; L631-Y759 HydrophobicContact CD1-CD2 4.09Å; L631-Y759 HydrophobicContact CD1-CG 4.31Å; L631-Y759 HydrophobicContact CD2-CD2 4.3Å; L631-L762 HydrophobicContact CD2-CD1 3.8Å |
| 632 | K | 91.8 | Very high | 90.3 | Very high | 121 Ų | 121 | 50.6 Ų | 50.6 | 53% | 0.526 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.9 | -33.1 | 173 | -74.3 | 173.2 | -178.2 | 177.7 | 0 | 112.4 | Q628 L755 | Q628-K632 WeakPolarHBondContact O-CB 3.44Å; Q628-K632 VanDerWaalsContact O-CG 3.29Å; Q628-K632 WeakPolarHBondContact O-CG 3.47Å; Q628-K632 PolarHBondContact O-N 2.88Å; K632-L755 HydrophobicContact CG-CD1 4.29Å; K632-L755 HydrophobicContact CG-CD2 4.34Å |
| 633 | F | 93.1 | Very high | 90.2 | Very high | 23 Ų | 23 | 42.4 Ų | 42.4 | 10% | 0.101 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72.2 | -49.3 | 176.9 | 179.7 | -102.6 | 0 | 0 | 0 | 111.9 | S629 L630 L631 Q832 E882 L884 | S629-F633 PolarHBondContact O-N 3.49Å; S629-F633 VanDerWaalsContact O-N 3.16Å; L630-F633 WeakPolarHBondContact O-CA 3.48Å; L630-F633 WeakPolarHBondContact O-CB 3.32Å; L630-F633 PolarHBondContact O-N 3.35Å; L630-F633 VanDerWaalsContact O-N 3.08Å; L631-F633 PolarHBondContact O-N 3.02Å; F633-Q832 HydrophobicContact CD1-CG 4.03Å; F633-Q832 HydrophobicContact CD2-CG 4.41Å; F633-Q832 HydrophobicContact CE1-CB 4.07Å; F633-Q832 HydrophobicContact CE1-CG 3.57Å; F633-Q832 VanDerWaalsContact CE2-CD 3.42Å; F633-Q832 HydrophobicContact CE2-CG 3.98Å; F633-Q832 HydrophobicContact CG-CG 4.43Å; F633-Q832 HydrophobicContact CZ-CB 3.91Å; F633-Q832 HydrophobicContact CZ-CG 3.54Å; F633-Q832 PolarHBondContact O-NE2 3.07Å; F633-E882 HydrophobicContact CE2-CB 3.91Å; F633-E882 HydrophobicContact CZ-CB 4.29Å; F633-E882 WeakPolarHBondContact CZ-O 3.2Å; F633-L884 HydrophobicContact CD1-CD1 3.88Å; F633-L884 HydrophobicContact CD1-CG 4.22Å; F633-L884 HydrophobicContact CE1-CD1 3.81Å; F633-L884 HydrophobicContact CE1-CG 3.83Å |
| 634 | I | 93.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -80.6 | -22.4 | -176.1 | 68.3 | 175.4 | 0 | 0 | 0 | 114 | L630 L631 D636 L762 W835 M836 L839 L884 | L630-I634 HydrophobicContact CD1-CG2 4.21Å; L630-I634 PolarHBondContact O-N 3.47Å; L631-I634 HydrophobicContact CD2-CD1 4.26Å; L631-I634 PolarHBondContact O-N 2.89Å; I634-D636 VanDerWaalsContact C-N 3.34Å; I634-L762 HydrophobicContact CD1-CD1 4.28Å; I634-W835 HydrophobicContact CB-CB 4.25Å; I634-W835 HydrophobicContact CG2-CB 3.7Å; I634-W835 HydrophobicContact CG2-CG 4.42Å; I634-M836 HydrophobicContact CB-CG 4.28Å; I634-M836 HydrophobicContact CD1-CG 4.17Å; I634-M836 HydrophobicContact CD1-SD 3.79Å; I634-M836 HydrophobicContact CG1-CG 4.08Å; I634-M836 HydrophobicContact CG1-SD 3.97Å; I634-L839 HydrophobicContact CD1-CD1 3.96Å; I634-L884 HydrophobicContact CG2-CD1 3.54Å |
| 635 | C | 89.7 | Confident | 89.5 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 15.4 | 177.9 | -59.8 | 0 | 0 | 0 | 0 | 113.5 | L631 V637 L744 | L631-C635 WeakPolarHBondContact O-CB 3.05Å; L631-C635 PolarHBondContact O-N 3.29Å; L631-C635 PolarHBondContact O-SG 2.84Å; C635-V637 PolarHBondContact O-N 2.88Å; C635-L744 HydrophobicContact CB-CD2 3.76Å |
| 636 | D | 87.9 | Confident | 89.1 | Confident | 55 Ų | 55 | 38.5 Ų | 38.5 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | trans | -80.3 | 102.8 | -177.5 | -178.9 | 25.2 | 0 | 0 | 0 | 112.7 | I634 K638 S639 M640 | I634-D636 VanDerWaalsContact C-N 3.34Å; D636-K638 VanDerWaalsContact C-N 3.26Å; D636-K638 PolarHBondContact O-N 3.04Å; D636-K638 WeakPolarHBondContact OD1-CB 3.37Å; D636-K638 PolarHBondContact OD1-N 3.18Å; D636-S639 PolarHBondContact O-N 3.37Å; D636-S639 VanDerWaalsContact O-N 3.17Å; D636-S639 VanDerWaalsContact OD2-CB 3.28Å; D636-S639 WeakPolarHBondContact OD2-CB 3.4Å; D636-S639 PolarHBondContact OD2-N 3.02Å; D636-S639 PolarHBondContact OD2-OG 2.73Å; D636-M640 PolarHBondContact O-N 3.22Å | ||
| 637 | V | 86.4 | Confident | 88.8 | Confident | 28 Ų | 28 | 39.2 Ų | 39.2 | 17% | 0.17 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.4 | -37.1 | 176.7 | -176 | 0 | 0 | 0 | 0 | 111.8 | I613 C635 S639 M640 E641 L656 Y741 L744 | I613-V637 HydrophobicContact CB-CG2 4.3Å; I613-V637 HydrophobicContact CD1-CG2 3.27Å; I613-V637 HydrophobicContact CG1-CG2 4.34Å; I613-V637 HydrophobicContact CG2-CG2 4.43Å; C635-V637 PolarHBondContact O-N 2.88Å; V637-S639 VanDerWaalsContact C-N 3.28Å; V637-S639 PolarHBondContact O-N 3.12Å; V637-M640 WeakPolarHBondContact O-CB 3.23Å; V637-M640 PolarHBondContact O-N 3.33Å; V637-M640 VanDerWaalsContact O-N 3.11Å; V637-E641 WeakPolarHBondContact O-CG 3.32Å; V637-E641 PolarHBondContact O-N 2.98Å; V637-L656 HydrophobicContact CG1-CD1 3.88Å; V637-Y741 HydrophobicContact CG1-CE2 4.15Å; V637-L744 HydrophobicContact CG2-CD1 4.06Å |
| 638 | K | 85.3 | Confident | 88.4 | Confident | 151 Ų | 151 | 43.1 Ų | 43.1 | 66% | 0.657 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -65.8 | -35.4 | -179.5 | -67.4 | -176.9 | 178.7 | -179.7 | 0 | 111.4 | D636 E641 K642 | D636-K638 VanDerWaalsContact C-N 3.26Å; D636-K638 PolarHBondContact O-N 3.04Å; D636-K638 WeakPolarHBondContact OD1-CB 3.37Å; D636-K638 PolarHBondContact OD1-N 3.18Å; K638-E641 PolarHBondContact O-N 2.76Å; K638-K642 WeakPolarHBondContact O-CB 3.35Å; K638-K642 PolarHBondContact O-N 3.24Å |
| 639 | S | 86.4 | Confident | 87.9 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69 | -33.3 | 174.3 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | D636 V637 T643 Q832 | D636-S639 PolarHBondContact O-N 3.37Å; D636-S639 VanDerWaalsContact O-N 3.17Å; D636-S639 VanDerWaalsContact OD2-CB 3.28Å; D636-S639 WeakPolarHBondContact OD2-CB 3.4Å; D636-S639 PolarHBondContact OD2-N 3.02Å; D636-S639 PolarHBondContact OD2-OG 2.73Å; V637-S639 VanDerWaalsContact C-N 3.28Å; V637-S639 PolarHBondContact O-N 3.12Å; S639-T643 WeakPolarHBondContact O-CB 3.25Å; S639-T643 PolarHBondContact O-N 2.94Å; S639-T643 PolarHBondContact O-OG1 3.21Å; S639-Q832 PolarHBondContact OG-NE2 2.94Å |
| 640 | M | 88 | Confident | 87 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -48 | 170.6 | -59.9 | 175 | -173.9 | 0 | 0 | 111.7 | D636 V637 K642 T643 M644 L656 I737 A740 L744 T833 | D636-M640 PolarHBondContact O-N 3.22Å; V637-M640 WeakPolarHBondContact O-CB 3.23Å; V637-M640 PolarHBondContact O-N 3.33Å; V637-M640 VanDerWaalsContact O-N 3.11Å; M640-K642 PolarHBondContact O-N 2.97Å; M640-T643 PolarHBondContact O-N 2.66Å; M640-M644 PolarHBondContact O-N 2.85Å; M640-L656 HydrophobicContact CB-CD1 4.04Å; M640-L656 HydrophobicContact CB-CD2 4.03Å; M640-I737 HydrophobicContact CB-CG2 4.16Å; M640-A740 HydrophobicContact CE-CB 3.6Å; M640-A740 HydrophobicContact SD-CB 4.41Å; M640-L744 HydrophobicContact CE-CD1 3.86Å; M640-L744 HydrophobicContact SD-CD1 4.41Å; M640-T833 HydrophobicContact CB-CG2 4.36Å; M640-T833 HydrophobicContact CG-CG2 3.97Å |
| 641 | E | 84.8 | Confident | 85.9 | Confident | 76 Ų | 76 | 41.5 Ų | 41.5 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 176.5 | -68.4 | 179.4 | 157.2 | 0 | 0 | 111.7 | V637 K638 T643 M644 A645 L651 L656 | V637-E641 WeakPolarHBondContact O-CG 3.32Å; V637-E641 PolarHBondContact O-N 2.98Å; K638-E641 PolarHBondContact O-N 2.76Å; E641-T643 VanDerWaalsContact C-N 3.34Å; E641-T643 PolarHBondContact O-N 3.3Å; E641-M644 PolarHBondContact O-N 3.18Å; E641-A645 PolarHBondContact O-N 2.88Å; E641-L651 HydrophobicContact CB-CD1 4.07Å; E641-L656 HydrophobicContact CB-CD1 4.49Å; E641-L656 HydrophobicContact CG-CD1 3.39Å; E641-L656 HydrophobicContact CG-CG 4.29Å |
| 642 | K | 86.3 | Confident | 84.7 | Confident | 68 Ų | 68 | 47.5 Ų | 47.5 | 30% | 0.296 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60 | -44.2 | 176.2 | -175.3 | -175.5 | 171.6 | -168.2 | 0 | 111.6 | K638 M640 M644 A645 E646 | K638-K642 WeakPolarHBondContact O-CB 3.35Å; K638-K642 PolarHBondContact O-N 3.24Å; M640-K642 PolarHBondContact O-N 2.97Å; K642-M644 PolarHBondContact O-N 3.27Å; K642-A645 PolarHBondContact O-N 3.38Å; K642-E646 WeakPolarHBondContact CE-OE1 3.16Å; K642-E646 WeakPolarHBondContact O-CG 3.42Å; K642-E646 PolarHBondContact O-N 3.29Å |
| 643 | T | 86.8 | Confident | 83.6 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 8% | 0.08 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 178.2 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | S639 M640 E641 A645 E646 F647 I737 T833 | S639-T643 WeakPolarHBondContact O-CB 3.25Å; S639-T643 PolarHBondContact O-N 2.94Å; S639-T643 PolarHBondContact O-OG1 3.21Å; M640-T643 PolarHBondContact O-N 2.66Å; E641-T643 VanDerWaalsContact C-N 3.34Å; E641-T643 PolarHBondContact O-N 3.3Å; T643-A645 VanDerWaalsContact C-N 3.35Å; T643-A645 PolarHBondContact O-N 2.89Å; T643-E646 WeakPolarHBondContact O-CB 3.25Å; T643-E646 PolarHBondContact O-N 2.5Å; T643-F647 HydrophobicContact CG2-CD2 4.36Å; T643-F647 HydrophobicContact CG2-CE2 3.58Å; T643-F647 HydrophobicContact CG2-CZ 3.82Å; T643-F647 VanDerWaalsContact O-CD2 3.27Å; T643-F647 WeakPolarHBondContact O-CD2 3.39Å; T643-F647 WeakPolarHBondContact O-CG 3.48Å; T643-F647 PolarHBondContact O-N 2.93Å; T643-I737 HydrophobicContact CG2-CD1 3.93Å; T643-T833 HydrophobicContact CG2-CG2 4.39Å; T643-T833 WeakPolarHBondContact OG1-CG2 3.32Å |
| 644 | M | 85 | Confident | 82.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -40 | 173.5 | -72.5 | -174.8 | 76.3 | 0 | 0 | 112.6 | M640 E641 K642 F647 L649 L651 M654 L656 L659 L734 I737 | M640-M644 PolarHBondContact O-N 2.85Å; E641-M644 PolarHBondContact O-N 3.18Å; K642-M644 PolarHBondContact O-N 3.27Å; M644-F647 WeakPolarHBondContact O-CB 3.26Å; M644-F647 PolarHBondContact O-N 3.03Å; M644-L649 HydrophobicContact CB-CD1 4.27Å; M644-L649 HydrophobicContact CE-CD1 4.22Å; M644-L649 HydrophobicContact CG-CD1 4.5Å; M644-L649 VanDerWaalsContact O-CB 3.32Å; M644-L649 WeakPolarHBondContact O-CB 3.27Å; M644-L649 WeakPolarHBondContact O-CG 3.04Å; M644-L649 PolarHBondContact O-N 2.91Å; M644-L651 HydrophobicContact CB-CD2 3.58Å; M644-L651 HydrophobicContact CE-CD2 4Å; M644-L651 HydrophobicContact CG-CD2 4.28Å; M644-L651 HydrophobicContact SD-CD2 3.71Å; M644-M654 HydrophobicContact CE-CE 3.98Å; M644-M654 WeakPolarHBondContact CE-O 3.24Å; M644-L656 HydrophobicContact CG-CD2 4.3Å; M644-L656 HydrophobicContact SD-CD2 3.22Å; M644-L656 WeakPolarHBondContact SD-CD2 3.18Å; M644-L656 HydrophobicContact SD-CG 3.64Å; M644-L659 HydrophobicContact CE-CD1 3.85Å; M644-L659 HydrophobicContact CE-CD2 4.02Å; M644-L659 HydrophobicContact CE-CG 4.14Å; M644-L659 HydrophobicContact SD-CD1 3.99Å; M644-L734 HydrophobicContact CE-CD2 4.13Å; M644-L734 HydrophobicContact CG-CD2 3.91Å; M644-I737 HydrophobicContact CG-CD1 4.17Å; M644-I737 HydrophobicContact SD-CG2 4.44Å |
| 645 | A | 83 | Confident | 81.5 | Confident | 54 Ų | 54 | 42 Ų | 42 | 45% | 0.446 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.1 | -37.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E641 K642 T643 F647 E648 L651 | E641-A645 PolarHBondContact O-N 2.88Å; K642-A645 PolarHBondContact O-N 3.38Å; T643-A645 VanDerWaalsContact C-N 3.35Å; T643-A645 PolarHBondContact O-N 2.89Å; A645-F647 PolarHBondContact O-N 2.76Å; A645-E648 PolarHBondContact O-N 2.99Å; A645-L651 HydrophobicContact CB-CD1 4.37Å |
| 646 | E | 84.5 | Confident | 80.5 | Confident | 85 Ų | 85 | 42.3 Ų | 42.3 | 40% | 0.397 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.1 | -27.6 | 172.8 | -74 | 173.9 | -168.7 | 0 | 0 | 112.6 | K642 T643 E648 R831 | K642-E646 WeakPolarHBondContact CE-OE1 3.16Å; K642-E646 WeakPolarHBondContact O-CG 3.42Å; K642-E646 PolarHBondContact O-N 3.29Å; T643-E646 WeakPolarHBondContact O-CB 3.25Å; T643-E646 PolarHBondContact O-N 2.5Å; E646-E648 PolarHBondContact O-N 2.9Å; E646-R831 IonicContact OE2-NH1 3.86Å; E646-R831 PolarHBondContact OE2-NH1 3.23Å |
| 647 | F | 85.6 | Confident | 79.4 | Confident | 26 Ų | 26 | 40.3 Ų | 40.3 | 11% | 0.114 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 10.1 | 174.4 | -62.6 | -36.3 | 0 | 0 | 0 | 114.7 | T643 M644 A645 L649 M730 D733 | T643-F647 HydrophobicContact CG2-CD2 4.36Å; T643-F647 HydrophobicContact CG2-CE2 3.58Å; T643-F647 HydrophobicContact CG2-CZ 3.82Å; T643-F647 VanDerWaalsContact O-CD2 3.27Å; T643-F647 WeakPolarHBondContact O-CD2 3.39Å; T643-F647 WeakPolarHBondContact O-CG 3.48Å; T643-F647 PolarHBondContact O-N 2.93Å; M644-F647 WeakPolarHBondContact O-CB 3.26Å; M644-F647 PolarHBondContact O-N 3.03Å; A645-F647 PolarHBondContact O-N 2.76Å; F647-L649 VanDerWaalsContact C-N 3.31Å; F647-L649 HydrophobicContact CB-CD1 3.96Å; F647-L649 HydrophobicContact CB-CG 3.93Å; F647-L649 HydrophobicContact CD2-CD1 4.5Å; F647-M730 HydrophobicContact CB-CG 3.7Å; F647-M730 HydrophobicContact CB-SD 3.97Å; F647-M730 HydrophobicContact CD1-CB 4.31Å; F647-M730 HydrophobicContact CD1-CG 3.99Å; F647-M730 HydrophobicContact CD2-CG 3.77Å; F647-M730 HydrophobicContact CE2-CG 4.39Å; F647-M730 HydrophobicContact CG-CB 4.35Å; F647-M730 HydrophobicContact CG-CG 3.56Å; F647-M730 HydrophobicContact CG-SD 4.46Å; F647-D733 HydrophobicContact CE2-CB 3.6Å; F647-D733 HydrophobicContact CZ-CB 3.7Å; F647-D733 WeakPolarHBondContact CZ-OD2 3.38Å |
| 648 | E | 85.1 | Confident | 78.6 | Confident | 92 Ų | 92 | 40.5 Ų | 40.5 | 43% | 0.43 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 38.7 | -177.2 | -47.7 | 168.2 | 138.7 | 0 | 0 | 110.8 | A645 E646 H708 D709 K727 | A645-E648 PolarHBondContact O-N 2.99Å; E646-E648 PolarHBondContact O-N 2.9Å; E648-H708 CarbonylContact O-C 3.56Å; E648-H708 WeakPolarHBondContact O-CA 3.41Å; E648-H708 WeakPolarHBondContact O-CB 3.22Å; E648-D709 PolarHBondContact O-N 2.97Å; E648-K727 IonicContact OE2-NZ 2.71Å |
| 649 | L | 82 | Confident | 78.1 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -100.4 | 137.4 | 179 | -56.4 | 171.4 | 0 | 0 | 0 | 111.4 | M644 F647 L651 M654 I706 M730 L734 | M644-L649 HydrophobicContact CB-CD1 4.27Å; M644-L649 HydrophobicContact CE-CD1 4.22Å; M644-L649 HydrophobicContact CG-CD1 4.5Å; M644-L649 VanDerWaalsContact O-CB 3.32Å; M644-L649 WeakPolarHBondContact O-CB 3.27Å; M644-L649 WeakPolarHBondContact O-CG 3.04Å; M644-L649 PolarHBondContact O-N 2.91Å; F647-L649 VanDerWaalsContact C-N 3.31Å; F647-L649 HydrophobicContact CB-CD1 3.96Å; F647-L649 HydrophobicContact CB-CG 3.93Å; F647-L649 HydrophobicContact CD2-CD1 4.5Å; L649-L651 PolarHBondContact O-N 2.63Å; L649-L651 VanDerWaalsContact O-N 3.14Å; L649-M654 HydrophobicContact CB-CE 4.27Å; L649-M654 HydrophobicContact CD1-CE 3.77Å; L649-M654 HydrophobicContact CD2-CE 3.96Å; L649-M654 HydrophobicContact CG-CE 4.22Å; L649-I706 HydrophobicContact CD2-CG2 3.51Å; L649-M730 HydrophobicContact CD2-SD 4.39Å; L649-L734 HydrophobicContact CD1-CD1 3.83Å; L649-L734 HydrophobicContact CD1-CD2 3.62Å; L649-L734 HydrophobicContact CD1-CG 4.19Å |
| 650 | D | 74.9 | Confident | 78 | Confident | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.043 | 17% | 0.168 | C | C | . | . | trans | -82 | 96.1 | 175.5 | -171 | -21.2 | 0 | 0 | 0 | 110.6 | I551 G552 R652 K653 M654 P707 | I551-D650 HydrophobicContact CG2-CB 3.49Å; I551-D650 VanDerWaalsContact CG2-CB 3.49Å; G552-D650 WeakPolarHBondContact CA-OD2 3.43Å; G552-D650 PolarHBondContact N-OD2 2.67Å; D650-R652 PolarHBondContact O-N 3.11Å; D650-R652 VanDerWaalsContact OD1-CB 3.22Å; D650-R652 WeakPolarHBondContact OD1-CB 3.01Å; D650-R652 IonicContact OD1-CZ 2.71Å; D650-R652 PolarHBondContact OD1-N 3.49Å; D650-R652 IonicContact OD1-NE 2.84Å; D650-R652 PolarHBondContact OD1-NE 2.9Å; D650-R652 VanDerWaalsContact OD1-NE 3.1Å; D650-R652 IonicContact OD1-NH2 3.9Å; D650-R652 IonicContact OD2-CZ 3.1Å; D650-R652 IonicContact OD2-NE 3.73Å; D650-R652 IonicContact OD2-NH2 2.72Å; D650-R652 PolarHBondContact OD2-NH2 2.89Å; D650-K653 HydrophobicContact CB-CB 4.38Å; D650-K653 HydrophobicContact CB-CG 4.1Å; D650-K653 PolarHBondContact O-N 3.49Å; D650-K653 WeakPolarHBondContact OD2-CG 3.43Å; D650-M654 PolarHBondContact O-N 2.85Å; D650-P707 PolarHBondContact N-O 3.18Å | ||
| 651 | L | 71.6 | Confident | 77.9 | Confident | 52 Ų | 52 | 35.3 Ų | 35.3 | 27% | 0.272 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -22.6 | 177 | -67.9 | 175.7 | 0 | 0 | 0 | 114.1 | E641 M644 A645 L649 K653 P655 | E641-L651 HydrophobicContact CB-CD1 4.07Å; M644-L651 HydrophobicContact CB-CD2 3.58Å; M644-L651 HydrophobicContact CE-CD2 4Å; M644-L651 HydrophobicContact CG-CD2 4.28Å; M644-L651 HydrophobicContact SD-CD2 3.71Å; A645-L651 HydrophobicContact CB-CD1 4.37Å; L649-L651 PolarHBondContact O-N 2.63Å; L649-L651 VanDerWaalsContact O-N 3.14Å; L651-K653 VanDerWaalsContact C-N 3.34Å; L651-P655 WeakPolarHBondContact O-CA 3.34Å; L651-P655 WeakPolarHBondContact O-CB 3.37Å |
| 652 | R | 67.5 | Low | 78 | Confident | 127 Ų | 127 | 36.3 Ų | 36.3 | 48% | 0.479 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -20.6 | 178.4 | -53.3 | 170.6 | -63 | 173.1 | 2.8 | 112.5 | K530 T553 D650 | K530-R652 PolarHBondContact NZ-O 3.5Å; K530-R652 VanDerWaalsContact NZ-O 3.09Å; T553-R652 PolarHBondContact O-NH2 2.7Å; D650-R652 PolarHBondContact O-N 3.11Å; D650-R652 VanDerWaalsContact OD1-CB 3.22Å; D650-R652 WeakPolarHBondContact OD1-CB 3.01Å; D650-R652 IonicContact OD1-CZ 2.71Å; D650-R652 PolarHBondContact OD1-N 3.49Å; D650-R652 IonicContact OD1-NE 2.84Å; D650-R652 PolarHBondContact OD1-NE 2.9Å; D650-R652 VanDerWaalsContact OD1-NE 3.1Å; D650-R652 IonicContact OD1-NH2 3.9Å; D650-R652 IonicContact OD2-CZ 3.1Å; D650-R652 IonicContact OD2-NE 3.73Å; D650-R652 IonicContact OD2-NH2 2.72Å; D650-R652 PolarHBondContact OD2-NH2 2.89Å |
| 653 | K | 69.2 | Low | 78.1 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -36.4 | -178.3 | -51.5 | -54.3 | 169.7 | -173.6 | 0 | 111.2 | F528 D650 L651 P655 | F528-K653 HydrophobicContact CB-CD 4.29Å; F528-K653 HydrophobicContact CD1-CD 4.07Å; F528-K653 VanDerWaalsContact CD1-CE 3.43Å; F528-K653 HydrophobicContact CD2-CD 3.92Å; F528-K653 HydrophobicContact CE1-CD 4.46Å; F528-K653 VanDerWaalsContact CE1-CE 3.4Å; F528-K653 VanDerWaalsContact CE1-NZ 3.32Å; F528-K653 HydrophobicContact CE2-CD 4.35Å; F528-K653 HydrophobicContact CG-CD 3.8Å; F528-K653 HydrophobicContact CG-CG 4.46Å; D650-K653 HydrophobicContact CB-CB 4.38Å; D650-K653 HydrophobicContact CB-CG 4.1Å; D650-K653 PolarHBondContact O-N 3.49Å; D650-K653 WeakPolarHBondContact OD2-CG 3.43Å; L651-K653 VanDerWaalsContact C-N 3.34Å; K653-P655 VanDerWaalsContact C-CD 3.43Å; K653-P655 WeakPolarHBondContact O-CD 3.5Å |
| 654 | M | 72.2 | Confident | 78.3 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.02 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -123.6 | 70.7 | 173.6 | -166.9 | 173.6 | 69.7 | 0 | 0 | 109.4 | M644 L649 D650 L659 I706 L734 | M644-M654 HydrophobicContact CE-CE 3.98Å; M644-M654 WeakPolarHBondContact CE-O 3.24Å; L649-M654 HydrophobicContact CB-CE 4.27Å; L649-M654 HydrophobicContact CD1-CE 3.77Å; L649-M654 HydrophobicContact CD2-CE 3.96Å; L649-M654 HydrophobicContact CG-CE 4.22Å; D650-M654 PolarHBondContact O-N 2.85Å; M654-L659 HydrophobicContact CE-CD2 3.82Å; M654-L659 HydrophobicContact CG-CD2 3.89Å; M654-L659 HydrophobicContact CG-CG 4.42Å; M654-L659 HydrophobicContact SD-CD2 3.76Å; M654-I706 HydrophobicContact CE-CG2 4.25Å; M654-L734 HydrophobicContact CE-CD1 4.47Å |
| 655 | P | 70 | Confident | 78.6 | Confident | 19 Ų | 19 | 35.7 Ų | 35.7 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | trans | -65.4 | 153 | 175 | 28.6 | -34 | 0 | 0 | 0 | 110 | M483 L651 K653 G657 K658 L659 | M483-P655 HydrophobicContact CE-CB 4.34Å; L651-P655 WeakPolarHBondContact O-CA 3.34Å; L651-P655 WeakPolarHBondContact O-CB 3.37Å; K653-P655 VanDerWaalsContact C-CD 3.43Å; K653-P655 WeakPolarHBondContact O-CD 3.5Å; P655-G657 VanDerWaalsContact C-N 3.26Å; P655-G657 PolarHBondContact O-N 3.24Å; P655-G657 VanDerWaalsContact O-N 3.13Å; P655-K658 HydrophobicContact CG-CB 3.96Å; P655-K658 HydrophobicContact CG-CD 3.86Å; P655-K658 HydrophobicContact CG-CG 3.83Å; P655-K658 PolarHBondContact O-N 3.1Å; P655-L659 PolarHBondContact O-N 2.96Å | ||
| 656 | L | 69.1 | Low | 79 | Confident | 9 Ų | 9 | 35.1 Ų | 35.1 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -43.6 | -50.2 | -179.4 | -79.6 | 168.2 | 0 | 0 | 0 | 113.3 | V637 M640 E641 M644 K658 L659 I737 Y741 | V637-L656 HydrophobicContact CG1-CD1 3.88Å; M640-L656 HydrophobicContact CB-CD1 4.04Å; M640-L656 HydrophobicContact CB-CD2 4.03Å; E641-L656 HydrophobicContact CB-CD1 4.49Å; E641-L656 HydrophobicContact CG-CD1 3.39Å; E641-L656 HydrophobicContact CG-CG 4.29Å; M644-L656 HydrophobicContact CG-CD2 4.3Å; M644-L656 HydrophobicContact SD-CD2 3.22Å; M644-L656 WeakPolarHBondContact SD-CD2 3.18Å; M644-L656 HydrophobicContact SD-CG 3.64Å; L656-K658 PolarHBondContact O-N 2.99Å; L656-L659 HydrophobicContact CD2-CD1 4.18Å; L656-L659 PolarHBondContact O-N 3.09Å; L656-I737 HydrophobicContact CD2-CG2 3.09Å; L656-Y741 HydrophobicContact CB-CD1 4.33Å; L656-Y741 HydrophobicContact CB-CD2 3.82Å; L656-Y741 HydrophobicContact CB-CE1 4.3Å; L656-Y741 HydrophobicContact CB-CE2 3.81Å; L656-Y741 HydrophobicContact CB-CG 4.09Å; L656-Y741 HydrophobicContact CD1-CD2 4.04Å; L656-Y741 HydrophobicContact CD1-CE2 4.05Å; L656-Y741 HydrophobicContact CG-CD2 4.41Å |
| 657 | G | 63.3 | Low | 79.5 | Confident | 13 Ų | 13 | 31.1 Ų | 31.1 | 13% | 0.134 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -71.2 | 0.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | S607 P655 | S607-G657 WeakPolarHBondContact CB-O 3.29Å; S607-G657 PolarHBondContact OG-O 3.48Å; P655-G657 VanDerWaalsContact C-N 3.26Å; P655-G657 PolarHBondContact O-N 3.24Å; P655-G657 VanDerWaalsContact O-N 3.13Å |
| 658 | K | 71.2 | Confident | 79.9 | Confident | 33 Ų | 33 | 29.9 Ų | 29.9 | 14% | 0.143 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -120.3 | 5.4 | 176.5 | -64.1 | -167.2 | -174.6 | -176.8 | 0 | 113.2 | L603 D604 Y605 P655 L656 S660 | L603-K658 HydrophobicContact CB-CB 4.05Å; L603-K658 HydrophobicContact CB-CD 4.2Å; L603-K658 HydrophobicContact CD1-CD 3.88Å; L603-K658 HydrophobicContact CD2-CB 3.94Å; L603-K658 WeakPolarHBondContact CD2-O 3.48Å; L603-K658 HydrophobicContact CG-CB 4.39Å; L603-K658 HydrophobicContact CG-CD 4.47Å; D604-K658 PolarHBondContact N-O 3.03Å; Y605-K658 HydrophobicContact CE1-CD 4.15Å; Y605-K658 VanDerWaalsContact CE1-NZ 3.34Å; P655-K658 HydrophobicContact CG-CB 3.96Å; P655-K658 HydrophobicContact CG-CD 3.86Å; P655-K658 HydrophobicContact CG-CG 3.83Å; P655-K658 PolarHBondContact O-N 3.1Å; L656-K658 PolarHBondContact O-N 2.99Å; K658-S660 PolarHBondContact O-N 3.5Å |
| 659 | L | 74.3 | Confident | 80.3 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | trans | -58.9 | 127.1 | 171 | -79.2 | 161.9 | 0 | 0 | 0 | 109.3 | M644 M654 P655 L656 L734 I737 E738 | M644-L659 HydrophobicContact CE-CD1 3.85Å; M644-L659 HydrophobicContact CE-CD2 4.02Å; M644-L659 HydrophobicContact CE-CG 4.14Å; M644-L659 HydrophobicContact SD-CD1 3.99Å; M654-L659 HydrophobicContact CE-CD2 3.82Å; M654-L659 HydrophobicContact CG-CD2 3.89Å; M654-L659 HydrophobicContact CG-CG 4.42Å; M654-L659 HydrophobicContact SD-CD2 3.76Å; P655-L659 PolarHBondContact O-N 2.96Å; L656-L659 HydrophobicContact CD2-CD1 4.18Å; L656-L659 PolarHBondContact O-N 3.09Å; L659-L734 HydrophobicContact CD2-CD2 4.26Å; L659-I737 HydrophobicContact CD1-CG2 4.16Å; L659-E738 HydrophobicContact CB-CB 4.09Å; L659-E738 HydrophobicContact CB-CG 3.79Å; L659-E738 HydrophobicContact CD1-CB 4.38Å | ||
| 660 | S | 82.9 | Confident | 80.9 | Confident | 7 Ų | 7 | 28.9 Ų | 28.9 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | trans | -105.7 | 121.6 | 176.6 | 171.9 | 0 | 0 | 0 | 0 | 109.9 | E602 K658 N662 Q663 I664 | E602-S660 WeakPolarHBondContact O-CB 3.39Å; K658-S660 PolarHBondContact O-N 3.5Å; S660-N662 PolarHBondContact O-N 2.7Å; S660-N662 PolarHBondContact OG-N 3.34Å; S660-Q663 PolarHBondContact O-N 3.27Å; S660-Q663 VanDerWaalsContact O-N 3.16Å; S660-Q663 PolarHBondContact OG-N 3.32Å; S660-I664 PolarHBondContact O-N 2.86Å; S660-I664 VanDerWaalsContact O-N 3.13Å | ||
| 661 | S | 85.7 | Confident | 81.9 | Confident | 37 Ų | 37 | 28.5 Ų | 28.5 | 26% | 0.259 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -56.1 | -38.9 | 172.1 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | Q663 I664 H665 | S661-Q663 VanDerWaalsContact C-N 3.34Å; S661-Q663 PolarHBondContact O-N 3.43Å; S661-I664 PolarHBondContact O-N 2.89Å; S661-H665 PolarHBondContact O-CD2 3.42Å; S661-H665 PolarHBondContact O-N 3.38Å; S661-H665 PolarHBondContact OG-CD2 2.96Å |
| 662 | N | 87.5 | Confident | 82.8 | Confident | 97 Ų | 97 | 28 Ų | 28 | 52% | 0.519 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 176.6 | -66.5 | -21.1 | 0 | 0 | 0 | 111.9 | E602 S660 I664 H665 E666 | E602-N662 PolarHBondContact OE1-ND2 3.16Å; E602-N662 WeakPolarHBondContact OE2-CB 3.45Å; S660-N662 PolarHBondContact O-N 2.7Å; S660-N662 PolarHBondContact OG-N 3.34Å; N662-I664 VanDerWaalsContact C-N 3.32Å; N662-I664 PolarHBondContact O-N 2.81Å; N662-H665 PolarHBondContact O-N 3.29Å; N662-E666 PolarHBondContact O-N 2.97Å |
| 663 | Q | 88.2 | Confident | 83.9 | Confident | 5 Ų | 5 | 24 Ų | 24 | 2% | 0.023 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.9 | -34.9 | 179.2 | -172.4 | 170.5 | 21.9 | 0 | 0 | 112 | E602 S660 S661 A667 L705 | E602-Q663 PolarHBondContact O-OE1 3.23Å; S660-Q663 PolarHBondContact O-N 3.27Å; S660-Q663 VanDerWaalsContact O-N 3.16Å; S660-Q663 PolarHBondContact OG-N 3.32Å; S661-Q663 VanDerWaalsContact C-N 3.34Å; S661-Q663 PolarHBondContact O-N 3.43Å; Q663-A667 WeakPolarHBondContact O-CB 3.22Å; Q663-A667 PolarHBondContact O-N 2.81Å; Q663-L705 VanDerWaalsContact CD-O 3.27Å; Q663-L705 PolarHBondContact NE2-O 3.3Å |
| 664 | I | 91 | Very high | 85 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.2 | -41.9 | 174.4 | -64.1 | 165.3 | 0 | 0 | 0 | 110.7 | S660 S661 N662 A667 Y668 L731 L734 L735 | S660-I664 PolarHBondContact O-N 2.86Å; S660-I664 VanDerWaalsContact O-N 3.13Å; S661-I664 PolarHBondContact O-N 2.89Å; N662-I664 VanDerWaalsContact C-N 3.32Å; N662-I664 PolarHBondContact O-N 2.81Å; I664-A667 WeakPolarHBondContact O-CB 3.45Å; I664-A667 PolarHBondContact O-N 2.9Å; I664-Y668 HydrophobicContact CG2-CD2 4.04Å; I664-Y668 HydrophobicContact CG2-CE2 3.75Å; I664-Y668 WeakPolarHBondContact O-CD2 3.18Å; I664-Y668 PolarHBondContact O-N 3.05Å; I664-L731 HydrophobicContact CG2-CB 3.98Å; I664-L731 HydrophobicContact CG2-CD2 4.1Å; I664-L731 HydrophobicContact CG2-CG 4.4Å; I664-L734 HydrophobicContact CD1-CB 3.96Å; I664-L735 HydrophobicContact CB-CD2 4.03Å; I664-L735 HydrophobicContact CB-CG 4.41Å; I664-L735 HydrophobicContact CD1-CD2 3.91Å; I664-L735 HydrophobicContact CD1-CG 4.28Å; I664-L735 HydrophobicContact CG2-CD1 4.2Å; I664-L735 HydrophobicContact CG2-CD2 3.81Å; I664-L735 HydrophobicContact CG2-CG 3.66Å |
| 665 | H | 91.8 | Very high | 85.8 | Confident | 61 Ų | 61 | 23.7 Ų | 23.7 | 28% | 0.282 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -62.8 | -42.2 | 173.7 | -76.8 | -64 | 0 | 0 | 0 | 112.5 | S661 N662 A667 Y668 D669 D849 | S661-H665 PolarHBondContact O-CD2 3.42Å; S661-H665 PolarHBondContact O-N 3.38Å; S661-H665 PolarHBondContact OG-CD2 2.96Å; N662-H665 PolarHBondContact O-N 3.29Å; H665-A667 VanDerWaalsContact C-N 3.26Å; H665-A667 PolarHBondContact O-N 2.96Å; H665-Y668 WeakPolarHBondContact O-CB 3.46Å; H665-Y668 PolarHBondContact O-N 2.87Å; H665-Y668 VanDerWaalsContact O-N 3.12Å; H665-D669 PolarHBondContact O-N 2.84Å; H665-D669 VanDerWaalsContact O-N 3.09Å; H665-D849 VanDerWaalsContact CA-OD2 3.32Å; H665-D849 WeakPolarHBondContact CA-OD2 3.28Å; H665-D849 IonicContact CE1-OD1 3.15Å; H665-D849 IonicContact CE1-OD2 3.63Å; H665-D849 IonicContact CG-OD2 2.66Å; H665-D849 IonicContact ND1-OD1 3.04Å; H665-D849 PolarHBondContact ND1-OD1 2.8Å; H665-D849 IonicContact ND1-OD2 2.9Å; H665-D849 PolarHBondContact ND1-OD2 2.93Å |
| 666 | E | 92.5 | Very high | 86.6 | Confident | 43 Ų | 43 | 28 Ų | 28 | 20% | 0.201 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.7 | -38.3 | 173 | -164.3 | -170.1 | 162.7 | 0 | 0 | 111.5 | Y599 N662 D669 V670 R701 L705 | Y599-E666 PolarHBondContact OH-OE2 2.69Å; N662-E666 PolarHBondContact O-N 2.97Å; E666-D669 PolarHBondContact O-N 2.66Å; E666-V670 WeakPolarHBondContact O-CG2 3.32Å; E666-V670 PolarHBondContact O-N 3.2Å; E666-R701 IonicContact OE1-CZ 3.86Å; E666-R701 IonicContact OE1-NE 2.75Å; E666-R701 PolarHBondContact OE1-NE 3.26Å; E666-R701 IonicContact OE1-NH2 2.7Å; E666-R701 PolarHBondContact OE1-NH2 2.83Å; E666-L705 HydrophobicContact CB-CD1 4.12Å; E666-L705 HydrophobicContact CG-CD1 3.74Å; E666-L705 HydrophobicContact CG-CD2 4.42Å; E666-L705 VanDerWaalsContact OE2-CD2 3.29Å; E666-L705 WeakPolarHBondContact OE2-CD2 3.39Å |
| 667 | A | 94.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.9 | -34.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q663 I664 H665 V670 L671 F702 I706 L731 | Q663-A667 WeakPolarHBondContact O-CB 3.22Å; Q663-A667 PolarHBondContact O-N 2.81Å; I664-A667 WeakPolarHBondContact O-CB 3.45Å; I664-A667 PolarHBondContact O-N 2.9Å; H665-A667 VanDerWaalsContact C-N 3.26Å; H665-A667 PolarHBondContact O-N 2.96Å; A667-V670 PolarHBondContact O-N 3.46Å; A667-L671 WeakPolarHBondContact O-CG 3.49Å; A667-L671 PolarHBondContact O-N 2.69Å; A667-F702 HydrophobicContact CB-CD2 4.21Å; A667-F702 HydrophobicContact CB-CE2 4.12Å; A667-I706 HydrophobicContact CB-CD1 3.9Å; A667-I706 HydrophobicContact CB-CG1 3.7Å; A667-L731 HydrophobicContact CB-CD1 3.76Å; A667-L731 HydrophobicContact CB-CD2 4.13Å |
| 668 | Y | 94.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 171.7 | -84.5 | -61 | 0 | 0 | 0 | 112.2 | I664 H665 V670 L671 N672 I728 L731 E732 L735 P847 D849 A850 | I664-Y668 HydrophobicContact CG2-CD2 4.04Å; I664-Y668 HydrophobicContact CG2-CE2 3.75Å; I664-Y668 WeakPolarHBondContact O-CD2 3.18Å; I664-Y668 PolarHBondContact O-N 3.05Å; H665-Y668 WeakPolarHBondContact O-CB 3.46Å; H665-Y668 PolarHBondContact O-N 2.87Å; H665-Y668 VanDerWaalsContact O-N 3.12Å; Y668-V670 VanDerWaalsContact C-N 3.26Å; Y668-V670 PolarHBondContact O-N 3.23Å; Y668-L671 CarbonylContact O-C 3.6Å; Y668-L671 PolarHBondContact O-N 2.98Å; Y668-L671 VanDerWaalsContact O-N 3.09Å; Y668-N672 WeakPolarHBondContact O-CB 3.38Å; Y668-N672 PolarHBondContact O-N 2.67Å; Y668-I728 HydrophobicContact CE1-CG2 4.2Å; Y668-L731 HydrophobicContact CD1-CB 4.35Å; Y668-L731 HydrophobicContact CD1-CD1 3.7Å; Y668-L731 HydrophobicContact CD2-CB 4.4Å; Y668-L731 HydrophobicContact CD2-CD1 4.04Å; Y668-L731 HydrophobicContact CE1-CB 3.71Å; Y668-L731 HydrophobicContact CE1-CD1 3.92Å; Y668-L731 HydrophobicContact CE1-CG 4.44Å; Y668-L731 HydrophobicContact CE2-CB 3.74Å; Y668-L731 HydrophobicContact CE2-CD1 4.21Å; Y668-L731 HydrophobicContact CG-CD1 3.78Å; Y668-L731 WeakPolarHBondContact OH-CB 3.41Å; Y668-E732 VanDerWaalsContact OH-CA 3.26Å; Y668-E732 WeakPolarHBondContact OH-CA 3.07Å; Y668-E732 WeakPolarHBondContact OH-CG 3.49Å; Y668-E732 PolarHBondContact OH-N 3.23Å; Y668-L735 HydrophobicContact CE2-CD1 3.75Å; Y668-P847 HydrophobicContact CD2-CG 4.3Å; Y668-P847 HydrophobicContact CE2-CG 4.1Å; Y668-D849 WeakPolarHBondContact CB-OD2 3.33Å; Y668-A850 HydrophobicContact CD1-CB 3.64Å; Y668-A850 HydrophobicContact CE1-CB 3.76Å; Y668-A850 HydrophobicContact CG-CB 4.25Å |
| 669 | D | 93.5 | Very high | 88.9 | Confident | 77 Ų | 77 | 34.5 Ų | 34.5 | 41% | 0.412 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58 | -39.8 | 176.5 | -77.7 | -28.9 | 0 | 0 | 0 | 112.1 | H665 E666 N672 S673 D849 | H665-D669 PolarHBondContact O-N 2.84Å; H665-D669 VanDerWaalsContact O-N 3.09Å; E666-D669 PolarHBondContact O-N 2.66Å; D669-N672 PolarHBondContact O-N 2.89Å; D669-S673 PolarHBondContact O-N 2.93Å; D669-S673 PolarHBondContact O-OG 3.04Å; D669-D849 VanDerWaalsContact OD1-CB 3.29Å; D669-D849 WeakPolarHBondContact OD1-CB 3.22Å |
| 670 | V | 94.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -46.3 | 174.5 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | E666 A667 Y668 N672 S673 L674 E698 R701 F702 L705 | E666-V670 WeakPolarHBondContact O-CG2 3.32Å; E666-V670 PolarHBondContact O-N 3.2Å; A667-V670 PolarHBondContact O-N 3.46Å; Y668-V670 VanDerWaalsContact C-N 3.26Å; Y668-V670 PolarHBondContact O-N 3.23Å; V670-N672 PolarHBondContact O-N 3.1Å; V670-S673 PolarHBondContact O-N 3.46Å; V670-L674 HydrophobicContact CG1-CD1 4.2Å; V670-L674 WeakPolarHBondContact O-CG 3.28Å; V670-L674 PolarHBondContact O-N 3.4Å; V670-E698 HydrophobicContact CG1-CB 4.06Å; V670-E698 WeakPolarHBondContact CG1-O 3.45Å; V670-R701 HydrophobicContact CG1-CB 4.49Å; V670-R701 HydrophobicContact CG2-CB 4.43Å; V670-R701 HydrophobicContact CG2-CG 3.86Å; V670-F702 HydrophobicContact CG1-CB 3.78Å; V670-L705 HydrophobicContact CG2-CD1 3.93Å |
| 671 | L | 94.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -33 | 175.8 | -67.6 | -177.9 | 0 | 0 | 0 | 112 | A667 Y668 L674 S675 F702 L718 I724 K727 I728 L731 P851 | A667-L671 WeakPolarHBondContact O-CG 3.49Å; A667-L671 PolarHBondContact O-N 2.69Å; Y668-L671 CarbonylContact O-C 3.6Å; Y668-L671 PolarHBondContact O-N 2.98Å; Y668-L671 VanDerWaalsContact O-N 3.09Å; L671-L674 HydrophobicContact CD2-CD1 4.21Å; L671-L674 PolarHBondContact O-N 3.38Å; L671-S675 VanDerWaalsContact O-CB 3.31Å; L671-S675 WeakPolarHBondContact O-CB 3.43Å; L671-S675 PolarHBondContact O-N 3.25Å; L671-F702 HydrophobicContact CD1-CD2 4.42Å; L671-F702 HydrophobicContact CD1-CE2 3.77Å; L671-F702 HydrophobicContact CD1-CZ 4.47Å; L671-F702 HydrophobicContact CD2-CD2 3.67Å; L671-F702 HydrophobicContact CD2-CE2 3.69Å; L671-F702 HydrophobicContact CD2-CG 4.31Å; L671-F702 HydrophobicContact CD2-CZ 4.35Å; L671-F702 HydrophobicContact CG-CD2 3.81Å; L671-F702 HydrophobicContact CG-CE2 3.68Å; L671-L718 HydrophobicContact CD2-CD1 3.95Å; L671-I724 HydrophobicContact CB-CG2 4.49Å; L671-K727 HydrophobicContact CD1-CB 3.92Å; L671-K727 HydrophobicContact CD2-CB 4.09Å; L671-I728 HydrophobicContact CD1-CG1 3.9Å; L671-L731 HydrophobicContact CD1-CD1 3.79Å; L671-L731 HydrophobicContact CD1-CG 4.5Å; L671-P851 HydrophobicContact CB-CG 3.59Å |
| 672 | N | 90.8 | Very high | 85.8 | Confident | 41 Ų | 41 | 48.6 Ų | 48.6 | 22% | 0.219 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.4 | -44.6 | 178.8 | -172.9 | 25.7 | 0 | 0 | 0 | 110.3 | Y668 D669 V670 L674 S675 Q676 P851 | Y668-N672 WeakPolarHBondContact O-CB 3.38Å; Y668-N672 PolarHBondContact O-N 2.67Å; D669-N672 PolarHBondContact O-N 2.89Å; V670-N672 PolarHBondContact O-N 3.1Å; N672-L674 PolarHBondContact O-N 2.8Å; N672-S675 WeakPolarHBondContact O-CB 3.25Å; N672-S675 PolarHBondContact O-N 2.94Å; N672-Q676 WeakPolarHBondContact O-CG 3.4Å; N672-Q676 PolarHBondContact O-N 3.26Å; N672-Q676 PolarHBondContact OD1-NE2 3.14Å; N672-P851 HydrophobicContact CB-CB 4.44Å; N672-P851 HydrophobicContact CB-CG 4.27Å |
| 673 | S | 91.3 | Very high | 83.9 | Confident | 43 Ų | 43 | 49.6 Ų | 49.6 | 30% | 0.301 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | 173.5 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | D669 V670 S675 Q676 L677 | D669-S673 PolarHBondContact O-N 2.93Å; D669-S673 PolarHBondContact O-OG 3.04Å; V670-S673 PolarHBondContact O-N 3.46Å; S673-S675 PolarHBondContact O-N 3.27Å; S673-Q676 PolarHBondContact O-N 2.94Å; S673-L677 WeakPolarHBondContact O-CG 3.29Å; S673-L677 PolarHBondContact O-N 3.5Å |
| 674 | L | 91.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 174.4 | -79.4 | 164.1 | 0 | 0 | 0 | 112.7 | V670 L671 N672 Q676 L677 I678 I695 E698 L718 I724 | V670-L674 HydrophobicContact CG1-CD1 4.2Å; V670-L674 WeakPolarHBondContact O-CG 3.28Å; V670-L674 PolarHBondContact O-N 3.4Å; L671-L674 HydrophobicContact CD2-CD1 4.21Å; L671-L674 PolarHBondContact O-N 3.38Å; N672-L674 PolarHBondContact O-N 2.8Å; L674-Q676 VanDerWaalsContact C-N 3.31Å; L674-Q676 PolarHBondContact O-N 2.7Å; L674-L677 PolarHBondContact O-N 3.41Å; L674-I678 WeakPolarHBondContact O-CD1 3.44Å; L674-I678 WeakPolarHBondContact O-CG1 3Å; L674-I678 PolarHBondContact O-N 3.16Å; L674-I695 HydrophobicContact CD2-CB 4.33Å; L674-I695 HydrophobicContact CD2-CG2 3.91Å; L674-E698 HydrophobicContact CD1-CB 4.02Å; L674-E698 HydrophobicContact CD2-CB 3.56Å; L674-E698 HydrophobicContact CD2-CG 4.5Å; L674-E698 HydrophobicContact CG-CB 3.5Å; L674-E698 VanDerWaalsContact CG-CB 3.5Å; L674-E698 HydrophobicContact CG-CG 4.38Å; L674-L718 HydrophobicContact CD1-CB 3.74Å; L674-L718 HydrophobicContact CD1-CD1 3.58Å; L674-L718 HydrophobicContact CD1-CG 4.3Å; L674-L718 HydrophobicContact CD2-CB 4.42Å; L674-I724 HydrophobicContact CB-CD1 3.82Å |
| 675 | S | 88.6 | Confident | 79.7 | Confident | 6 Ų | 6 | 66.5 Ų | 66.5 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 177.3 | 159.5 | 0 | 0 | 0 | 0 | 111.9 | L671 N672 S673 T679 T853 | L671-S675 VanDerWaalsContact O-CB 3.31Å; L671-S675 WeakPolarHBondContact O-CB 3.43Å; L671-S675 PolarHBondContact O-N 3.25Å; N672-S675 WeakPolarHBondContact O-CB 3.25Å; N672-S675 PolarHBondContact O-N 2.94Å; S673-S675 PolarHBondContact O-N 3.27Å; S675-T679 WeakPolarHBondContact O-CB 3.38Å; S675-T679 PolarHBondContact O-N 3.34Å; S675-T679 VanDerWaalsContact O-N 3.08Å; S675-T679 PolarHBondContact O-OG1 2.91Å; S675-T853 WeakPolarHBondContact OG-CB 3.38Å; S675-T853 PolarHBondContact OG-OG1 2.97Å |
| 676 | Q | 87.2 | Confident | 77.5 | Confident | 109 Ų | 109 | 72.2 Ų | 72.2 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 176.7 | -68.8 | 174 | 16.3 | 0 | 0 | 111.7 | N672 S673 L674 I678 T679 S680 | N672-Q676 WeakPolarHBondContact O-CG 3.4Å; N672-Q676 PolarHBondContact O-N 3.26Å; N672-Q676 PolarHBondContact OD1-NE2 3.14Å; S673-Q676 PolarHBondContact O-N 2.94Å; L674-Q676 VanDerWaalsContact C-N 3.31Å; L674-Q676 PolarHBondContact O-N 2.7Å; Q676-I678 VanDerWaalsContact C-N 3.34Å; Q676-I678 PolarHBondContact O-N 3.41Å; Q676-T679 PolarHBondContact O-N 3.36Å; Q676-S680 WeakPolarHBondContact O-CB 3.17Å; Q676-S680 PolarHBondContact O-N 3.28Å; Q676-S680 PolarHBondContact O-OG 2.89Å |
| 677 | L | 86.6 | Confident | 75.6 | Confident | 50 Ų | 50 | 71.5 Ų | 71.5 | 26% | 0.262 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 177.9 | -73.1 | 169.4 | 0 | 0 | 0 | 112.4 | S673 L674 Q694 I695 E698 | S673-L677 WeakPolarHBondContact O-CG 3.29Å; S673-L677 PolarHBondContact O-N 3.5Å; L674-L677 PolarHBondContact O-N 3.41Å; L677-Q694 HydrophobicContact CD1-CB 3.81Å; L677-Q694 HydrophobicContact CD2-CB 4.2Å; L677-I695 HydrophobicContact CB-CG1 4.14Å; L677-I695 HydrophobicContact CD1-CG1 4.41Å; L677-E698 HydrophobicContact CD1-CG 4.23Å |
| 678 | I | 84.7 | Confident | 73.7 | Confident | 44 Ų | 44 | 77.2 Ų | 77.2 | 23% | 0.226 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -74.5 | -35.1 | -179.3 | -69.1 | 159.4 | 0 | 0 | 0 | 111.9 | L674 Q676 I695 D719 I724 | L674-I678 WeakPolarHBondContact O-CD1 3.44Å; L674-I678 WeakPolarHBondContact O-CG1 3Å; L674-I678 PolarHBondContact O-N 3.16Å; Q676-I678 VanDerWaalsContact C-N 3.34Å; Q676-I678 PolarHBondContact O-N 3.41Å; I678-I695 HydrophobicContact CG1-CD1 4.1Å; I678-I695 HydrophobicContact CG1-CG1 4.48Å; I678-D719 VanDerWaalsContact CD1-C 3.45Å; I678-I724 HydrophobicContact CD1-CD1 3.3Å |
| 679 | T | 79.7 | Confident | 71.8 | Confident | 98 Ų | 98 | 78.9 Ų | 78.9 | 60% | 0.601 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -79.5 | -29.9 | -177.4 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | S675 Q676 R681 | S675-T679 WeakPolarHBondContact O-CB 3.38Å; S675-T679 PolarHBondContact O-N 3.34Å; S675-T679 VanDerWaalsContact O-N 3.08Å; S675-T679 PolarHBondContact O-OG1 2.91Å; Q676-T679 PolarHBondContact O-N 3.36Å; T679-R681 PolarHBondContact O-N 2.85Å |
| 680 | S | 71.8 | Confident | 70.2 | Confident | 73 Ų | 73 | 78.8 Ų | 78.8 | 51% | 0.51 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -59.7 | 130.7 | 179.6 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | Q676 | Q676-S680 WeakPolarHBondContact O-CB 3.17Å; Q676-S680 PolarHBondContact O-N 3.28Å; Q676-S680 PolarHBondContact O-OG 2.89Å |
| 681 | R | 55 | Low | 69.1 | Low | 219 Ų | 219 | 81.3 Ų | 81.3 | 83% | 0.826 | 42% | 0.415 | S | S | * | . | trans | -74.4 | 127.4 | 176.5 | -71.8 | -176.3 | -179.4 | -177.2 | 1.7 | 108.8 | T679 T683 | T679-R681 PolarHBondContact O-N 2.85Å; R681-T683 PolarHBondContact O-N 2.9Å | ||
| 682 | P | 52.7 | Low | 68.6 | Low | 51 Ų | 51 | 85.3 Ų | 85.3 | 33% | 0.331 | 43% | 0.43 | S | S | . | . | trans | -66.2 | 105 | 176.1 | 24.2 | -30.6 | 0 | 0 | 0 | 109.4 | K684 | P682-K684 PolarHBondContact O-N 3Š| ||
| 683 | T | 46.5 | Very low | 68.3 | Low | 118 Ų | 118 | 83.6 Ų | 83.6 | 72% | 0.724 | 42% | 0.421 | S | S | * | . | trans | -79.3 | 105.9 | 169.1 | 50.2 | 0 | 0 | 0 | 0 | 108.2 | R681 | R681-T683 PolarHBondContact O-N 2.9Š| ||
| 684 | K | 43.5 | Very low | 68.2 | Low | 183 Ų | 183 | 84.8 Ų | 84.8 | 80% | 0.796 | 42% | 0.422 | S | S | * | . | S | Bend | trans | 79.3 | 134.3 | 176.6 | -52.1 | 177.2 | 179.4 | 178.1 | 0 | 115.5 | P682 Q686 S687 | P682-K684 PolarHBondContact O-N 3Å; K684-Q686 PolarHBondContact O-N 2.91Å; K684-S687 PolarHBondContact O-N 2.92Å; K684-S687 PolarHBondContact O-OG 2.52Å |
| 685 | Q | 48.2 | Very low | 68.2 | Low | 180 Ų | 180 | 85.7 Ų | 85.7 | 84% | 0.841 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -18.1 | -172.3 | -75.2 | 172.5 | -15.5 | 0 | 0 | 116.2 | ||
| 686 | Q | 44.7 | Very low | 68.3 | Low | 180 Ų | 180 | 85.8 Ų | 85.8 | 84% | 0.841 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -18.9 | 177 | -76.6 | 176.5 | -3.2 | 0 | 0 | 113.6 | K684 Q688 | K684-Q686 PolarHBondContact O-N 2.91Å; Q686-Q688 PolarHBondContact O-N 2.72Å |
| 687 | S | 52.2 | Low | 68.5 | Low | 29 Ų | 29 | 80.7 Ų | 80.7 | 20% | 0.203 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -22.1 | -177 | 75.1 | 0 | 0 | 0 | 0 | 114.2 | K684 S689 L690 D691 | K684-S687 PolarHBondContact O-N 2.92Å; K684-S687 PolarHBondContact O-OG 2.52Å; S687-S689 VanDerWaalsContact C-N 3.31Å; S687-S689 PolarHBondContact O-N 2.82Å; S687-S689 VanDerWaalsContact O-N 3.14Å; S687-L690 PolarHBondContact O-N 3.48Å; S687-L690 VanDerWaalsContact O-N 3.11Å; S687-D691 PolarHBondContact O-N 3Å |
| 688 | Q | 54.4 | Low | 68.9 | Low | 120 Ų | 120 | 79.6 Ų | 79.6 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.4 | -34 | -168.9 | -79.6 | -177.1 | -14.4 | 0 | 0 | 114.7 | Q686 R692 | Q686-Q688 PolarHBondContact O-N 2.72Å; Q688-R692 PolarHBondContact O-N 3.14Å |
| 689 | S | 55.4 | Low | 69.5 | Low | 35 Ų | 35 | 77.5 Ų | 77.5 | 25% | 0.245 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -74.1 | -31.6 | -179.3 | 70.3 | 0 | 0 | 0 | 0 | 113.3 | S267 S687 T693 | S267-S689 WeakPolarHBondContact CB-OG 3.13Å; S267-S689 PolarHBondContact OG-OG 3.13Å; S687-S689 VanDerWaalsContact C-N 3.31Å; S687-S689 PolarHBondContact O-N 2.82Å; S687-S689 VanDerWaalsContact O-N 3.14Å; S689-T693 WeakPolarHBondContact O-CB 3.3Å; S689-T693 PolarHBondContact O-N 3.21Å; S689-T693 PolarHBondContact O-OG1 3.42Å |
| 690 | L | 59.3 | Low | 70.2 | Confident | 75 Ų | 75 | 72.9 Ų | 72.9 | 39% | 0.393 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72.3 | -43.9 | 175.8 | -91.2 | 130.8 | 0 | 0 | 0 | 110.4 | S267 S687 R692 T693 Q694 | S267-L690 WeakPolarHBondContact O-CD1 3.34Å; S687-L690 PolarHBondContact O-N 3.48Å; S687-L690 VanDerWaalsContact O-N 3.11Å; L690-R692 VanDerWaalsContact C-N 3.33Å; L690-R692 PolarHBondContact O-N 2.74Å; L690-T693 WeakPolarHBondContact O-CB 3.34Å; L690-T693 PolarHBondContact O-N 2.84Å; L690-T693 VanDerWaalsContact O-N 3.11Å; L690-Q694 WeakPolarHBondContact O-CG 3.13Å; L690-Q694 PolarHBondContact O-N 2.83Å |
| 691 | D | 72.5 | Confident | 71.3 | Confident | 53 Ų | 53 | 72.1 Ų | 72.1 | 28% | 0.283 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 179.1 | -62 | -22.5 | 0 | 0 | 0 | 111.1 | S687 T693 Q694 I695 | S687-D691 PolarHBondContact O-N 3Å; D691-T693 VanDerWaalsContact C-N 3.35Å; D691-T693 PolarHBondContact O-N 3.06Å; D691-Q694 PolarHBondContact O-N 3.05Å; D691-I695 VanDerWaalsContact O-CG1 3.29Å; D691-I695 WeakPolarHBondContact O-CG1 3.46Å; D691-I695 PolarHBondContact O-N 2.89Å |
| 692 | R | 82.7 | Confident | 73.2 | Confident | 85 Ų | 85 | 61.7 Ų | 61.7 | 32% | 0.321 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 177.4 | -166.1 | 178.9 | -174.4 | 171.5 | 7.1 | 112.8 | L293 Q688 L690 Q694 L696 M717 | L293-R692 HydrophobicContact CD1-CG 4.03Å; Q688-R692 PolarHBondContact O-N 3.14Å; L690-R692 VanDerWaalsContact C-N 3.33Å; L690-R692 PolarHBondContact O-N 2.74Å; R692-Q694 VanDerWaalsContact C-N 3.33Å; R692-L696 WeakPolarHBondContact O-CB 3.25Å; R692-L696 PolarHBondContact O-N 3.19Å; R692-M717 HydrophobicContact CG-CE 4.24Å |
| 693 | T | 84.7 | Confident | 75.2 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 176.2 | -58.1 | 0 | 0 | 0 | 0 | 110.6 | A286 V290 L293 S689 L690 D691 L696 S697 | A286-T693 HydrophobicContact CB-CG2 3.39Å; V290-T693 HydrophobicContact CG2-CG2 4.18Å; L293-T693 WeakPolarHBondContact CB-OG1 3.37Å; L293-T693 PolarHBondContact N-OG1 2.93Å; S689-T693 WeakPolarHBondContact O-CB 3.3Å; S689-T693 PolarHBondContact O-N 3.21Å; S689-T693 PolarHBondContact O-OG1 3.42Å; L690-T693 WeakPolarHBondContact O-CB 3.34Å; L690-T693 PolarHBondContact O-N 2.84Å; L690-T693 VanDerWaalsContact O-N 3.11Å; D691-T693 VanDerWaalsContact C-N 3.35Å; D691-T693 PolarHBondContact O-N 3.06Å; T693-L696 PolarHBondContact O-N 3.38Å; T693-S697 WeakPolarHBondContact O-CB 3.49Å; T693-S697 PolarHBondContact O-N 3.23Å |
| 694 | Q | 89.6 | Confident | 77.4 | Confident | 68 Ų | 68 | 53.9 Ų | 53.9 | 32% | 0.318 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.2 | -44 | 175.9 | -70.4 | -66.4 | 11.5 | 0 | 0 | 112.4 | L677 L690 D691 R692 L696 S697 E698 | L677-Q694 HydrophobicContact CD1-CB 3.81Å; L677-Q694 HydrophobicContact CD2-CB 4.2Å; L690-Q694 WeakPolarHBondContact O-CG 3.13Å; L690-Q694 PolarHBondContact O-N 2.83Å; D691-Q694 PolarHBondContact O-N 3.05Å; R692-Q694 VanDerWaalsContact C-N 3.33Å; Q694-L696 VanDerWaalsContact C-N 3.27Å; Q694-L696 PolarHBondContact O-N 2.94Å; Q694-S697 WeakPolarHBondContact O-CA 3.41Å; Q694-S697 VanDerWaalsContact O-CB 3.3Å; Q694-S697 WeakPolarHBondContact O-CB 3.17Å; Q694-S697 PolarHBondContact O-N 3.16Å; Q694-E698 PolarHBondContact O-N 3.46Å |
| 695 | I | 91.5 | Very high | 79.7 | Confident | 20 Ų | 20 | 45.1 Ų | 45.1 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.8 | -41.5 | 174.3 | -66.5 | 164.9 | 0 | 0 | 0 | 110.7 | L674 L677 I678 D691 S699 M717 D719 | L674-I695 HydrophobicContact CD2-CB 4.33Å; L674-I695 HydrophobicContact CD2-CG2 3.91Å; L677-I695 HydrophobicContact CB-CG1 4.14Å; L677-I695 HydrophobicContact CD1-CG1 4.41Å; I678-I695 HydrophobicContact CG1-CD1 4.1Å; I678-I695 HydrophobicContact CG1-CG1 4.48Å; D691-I695 VanDerWaalsContact O-CG1 3.29Å; D691-I695 WeakPolarHBondContact O-CG1 3.46Å; D691-I695 PolarHBondContact O-N 2.89Å; I695-S699 VanDerWaalsContact O-CB 3.27Å; I695-S699 WeakPolarHBondContact O-CB 3.36Å; I695-S699 PolarHBondContact O-N 2.92Å; I695-S699 PolarHBondContact O-OG 2.96Å; I695-M717 HydrophobicContact CB-CE 4.42Å; I695-M717 HydrophobicContact CG2-CE 3.74Å; I695-M717 HydrophobicContact CG2-CG 4.07Å; I695-M717 HydrophobicContact CG2-SD 4.29Å; I695-D719 HydrophobicContact CG2-CB 4.09Å |
| 696 | L | 91 | Very high | 81.8 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 174.3 | -177.1 | 73.5 | 0 | 0 | 0 | 111.9 | V290 L293 L521 I522 R692 T693 Q694 S699 T700 M717 | V290-L696 HydrophobicContact CB-CD2 4.17Å; V290-L696 HydrophobicContact CG1-CD2 4.2Å; V290-L696 HydrophobicContact CG1-CG 4.1Å; V290-L696 HydrophobicContact CG2-CD2 4.44Å; L293-L696 HydrophobicContact CD1-CB 4.14Å; L293-L696 HydrophobicContact CD1-CD2 3.73Å; L293-L696 HydrophobicContact CD2-CD2 3.73Å; L293-L696 HydrophobicContact CG-CD2 3.89Å; L521-L696 HydrophobicContact CB-CD1 3.48Å; L521-L696 VanDerWaalsContact CB-CD1 3.48Å; L521-L696 HydrophobicContact CD2-CD1 3.99Å; L521-L696 HydrophobicContact CG-CD1 4.33Å; I522-L696 HydrophobicContact CD1-CD2 3.66Å; I522-L696 HydrophobicContact CG1-CD2 3.58Å; R692-L696 WeakPolarHBondContact O-CB 3.25Å; R692-L696 PolarHBondContact O-N 3.19Å; T693-L696 PolarHBondContact O-N 3.38Å; Q694-L696 VanDerWaalsContact C-N 3.27Å; Q694-L696 PolarHBondContact O-N 2.94Å; L696-S699 PolarHBondContact O-N 3.16Å; L696-T700 WeakPolarHBondContact O-CB 3.3Å; L696-T700 PolarHBondContact O-N 3.26Å; L696-T700 PolarHBondContact O-OG1 3.03Å; L696-M717 HydrophobicContact CB-SD 4.47Å; L696-M717 HydrophobicContact CD1-SD 4.34Å |
| 697 | S | 92.6 | Very high | 84 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.7 | -54.3 | 177.9 | -171 | 0 | 0 | 0 | 0 | 111 | T287 T693 Q694 S699 T700 R701 | T287-S697 WeakPolarHBondContact CB-OG 3.4Å; T287-S697 WeakPolarHBondContact CG2-OG 3.5Å; T287-S697 PolarHBondContact OG1-OG 3.24Å; T693-S697 WeakPolarHBondContact O-CB 3.49Å; T693-S697 PolarHBondContact O-N 3.23Å; Q694-S697 WeakPolarHBondContact O-CA 3.41Å; Q694-S697 VanDerWaalsContact O-CB 3.3Å; Q694-S697 WeakPolarHBondContact O-CB 3.17Å; Q694-S697 PolarHBondContact O-N 3.16Å; S697-S699 PolarHBondContact O-N 2.77Å; S697-T700 WeakPolarHBondContact O-CB 3.49Å; S697-T700 PolarHBondContact O-N 3.04Å; S697-T700 VanDerWaalsContact O-N 3.16Å; S697-R701 PolarHBondContact O-N 3.1Å |
| 698 | E | 95.1 | Very high | 85.8 | Confident | 27 Ų | 27 | 26.8 Ų | 26.8 | 13% | 0.126 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.3 | -37.1 | -179.5 | -65 | -53.3 | 136.8 | 0 | 0 | 112.1 | V670 L674 L677 Q694 T700 R701 F702 | V670-E698 HydrophobicContact CG1-CB 4.06Å; V670-E698 WeakPolarHBondContact CG1-O 3.45Å; L674-E698 HydrophobicContact CD1-CB 4.02Å; L674-E698 HydrophobicContact CD2-CB 3.56Å; L674-E698 HydrophobicContact CD2-CG 4.5Å; L674-E698 HydrophobicContact CG-CB 3.5Å; L674-E698 VanDerWaalsContact CG-CB 3.5Å; L674-E698 HydrophobicContact CG-CG 4.38Å; L677-E698 HydrophobicContact CD1-CG 4.23Å; Q694-E698 PolarHBondContact O-N 3.46Å; E698-T700 VanDerWaalsContact C-N 3.31Å; E698-T700 PolarHBondContact O-N 3.14Å; E698-R701 PolarHBondContact O-N 3.02Å; E698-R701 IonicContact OE2-NH1 3.34Å; E698-F702 PolarHBondContact O-N 2.94Å |
| 699 | S | 95.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 171.4 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | I695 L696 S697 F702 Y703 L718 | I695-S699 VanDerWaalsContact O-CB 3.27Å; I695-S699 WeakPolarHBondContact O-CB 3.36Å; I695-S699 PolarHBondContact O-N 2.92Å; I695-S699 PolarHBondContact O-OG 2.96Å; L696-S699 PolarHBondContact O-N 3.16Å; S697-S699 PolarHBondContact O-N 2.77Å; S699-F702 PolarHBondContact O-N 3.15Å; S699-Y703 WeakPolarHBondContact O-CD2 3.44Å; S699-Y703 PolarHBondContact O-N 3.28Å; S699-L718 WeakPolarHBondContact OG-CB 3.49Å; S699-L718 PolarHBondContact OG-N 2.98Å |
| 700 | T | 94.7 | Very high | 88.9 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 178 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | W289 V290 V519 L521 L696 S697 E698 T704 | W289-T700 HydrophobicContact CE3-CG2 4.47Å; V290-T700 HydrophobicContact CG1-CG2 4.18Å; V290-T700 WeakPolarHBondContact CG1-OG1 3.39Å; V519-T700 HydrophobicContact CB-CG2 4.32Å; V519-T700 WeakPolarHBondContact O-CG2 3.15Å; L521-T700 HydrophobicContact CD1-CG2 4.47Å; L521-T700 WeakPolarHBondContact CD1-OG1 3.5Å; L696-T700 WeakPolarHBondContact O-CB 3.3Å; L696-T700 PolarHBondContact O-N 3.26Å; L696-T700 PolarHBondContact O-OG1 3.03Å; S697-T700 WeakPolarHBondContact O-CB 3.49Å; S697-T700 PolarHBondContact O-N 3.04Å; S697-T700 VanDerWaalsContact O-N 3.16Å; E698-T700 VanDerWaalsContact C-N 3.31Å; E698-T700 PolarHBondContact O-N 3.14Å; T700-T704 WeakPolarHBondContact O-CB 3.17Å; T700-T704 PolarHBondContact O-N 3.02Å; T700-T704 PolarHBondContact O-OG1 3.28Å |
| 701 | R | 95.2 | Very high | 90.2 | Very high | 57 Ų | 57 | 20.6 Ų | 20.6 | 22% | 0.215 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.5 | -47.5 | 175.9 | -173.1 | 174 | 170.9 | -150 | -1.5 | 111.1 | W289 E666 V670 S697 E698 Y703 T704 L705 | W289-R701 HydrophobicContact CD2-CB 4.09Å; W289-R701 HydrophobicContact CD2-CG 4.32Å; W289-R701 HydrophobicContact CE3-CB 4.29Å; W289-R701 HydrophobicContact CH2-CG 3.98Å; W289-R701 HydrophobicContact CZ2-CB 4.34Å; W289-R701 HydrophobicContact CZ2-CG 3.68Å; W289-R701 HydrophobicContact CZ3-CB 4.5Å; W289-R701 HydrophobicContact CZ3-CG 4.42Å; E666-R701 IonicContact OE1-CZ 3.86Å; E666-R701 IonicContact OE1-NE 2.75Å; E666-R701 PolarHBondContact OE1-NE 3.26Å; E666-R701 IonicContact OE1-NH2 2.7Å; E666-R701 PolarHBondContact OE1-NH2 2.83Å; V670-R701 HydrophobicContact CG1-CB 4.49Å; V670-R701 HydrophobicContact CG2-CB 4.43Å; V670-R701 HydrophobicContact CG2-CG 3.86Å; S697-R701 PolarHBondContact O-N 3.1Å; E698-R701 PolarHBondContact O-N 3.02Å; E698-R701 IonicContact OE2-NH1 3.34Å; R701-Y703 PolarHBondContact O-N 2.93Å; R701-T704 WeakPolarHBondContact O-CB 3.17Å; R701-T704 PolarHBondContact O-N 3.25Å; R701-T704 VanDerWaalsContact O-N 3.1Å; R701-L705 HydrophobicContact CG-CD1 4.11Å; R701-L705 HydrophobicContact CG-CG 4.45Å; R701-L705 WeakPolarHBondContact O-CG 3.19Å; R701-L705 PolarHBondContact O-N 3.28Å |
| 702 | F | 95.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55.2 | -51.6 | 178 | -179.6 | -93.8 | 0 | 0 | 0 | 112.5 | A667 V670 L671 E698 S699 T704 L705 I706 H708 L718 K727 M730 L731 | A667-F702 HydrophobicContact CB-CD2 4.21Å; A667-F702 HydrophobicContact CB-CE2 4.12Å; V670-F702 HydrophobicContact CG1-CB 3.78Å; L671-F702 HydrophobicContact CD1-CD2 4.42Å; L671-F702 HydrophobicContact CD1-CE2 3.77Å; L671-F702 HydrophobicContact CD1-CZ 4.47Å; L671-F702 HydrophobicContact CD2-CD2 3.67Å; L671-F702 HydrophobicContact CD2-CE2 3.69Å; L671-F702 HydrophobicContact CD2-CG 4.31Å; L671-F702 HydrophobicContact CD2-CZ 4.35Å; L671-F702 HydrophobicContact CG-CD2 3.81Å; L671-F702 HydrophobicContact CG-CE2 3.68Å; E698-F702 PolarHBondContact O-N 2.94Å; S699-F702 PolarHBondContact O-N 3.15Å; F702-T704 PolarHBondContact O-N 3.04Å; F702-L705 PolarHBondContact O-N 3.23Å; F702-I706 HydrophobicContact CE2-CG1 4.41Å; F702-I706 HydrophobicContact CZ-CG1 4.45Å; F702-I706 PolarHBondContact O-N 3.2Å; F702-H708 AromaticContact CE1-CE1 3.67Å; F702-L718 HydrophobicContact CB-CD1 3.72Å; F702-L718 HydrophobicContact CD1-CD1 3.61Å; F702-L718 HydrophobicContact CD2-CD1 4.37Å; F702-L718 HydrophobicContact CE1-CD1 4.33Å; F702-L718 HydrophobicContact CG-CD1 3.63Å; F702-K727 HydrophobicContact CE1-CB 4.25Å; F702-K727 HydrophobicContact CE1-CD 3.94Å; F702-K727 HydrophobicContact CE1-CG 3.96Å; F702-K727 HydrophobicContact CE2-CB 4.34Å; F702-K727 HydrophobicContact CZ-CB 3.72Å; F702-K727 HydrophobicContact CZ-CD 4.05Å; F702-K727 HydrophobicContact CZ-CG 3.95Å; F702-M730 HydrophobicContact CE1-CE 4.37Å; F702-M730 HydrophobicContact CZ-CE 3.73Å; F702-L731 HydrophobicContact CE2-CD1 4.22Å |
| 703 | Y | 94.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.2 | -20.1 | -180 | -65.9 | -57.6 | 0 | 0 | 0 | 113.8 | L521 S699 R701 I706 H708 F710 P715 P716 L718 | L521-Y703 HydrophobicContact CD1-CD2 4Å; L521-Y703 HydrophobicContact CD2-CE2 4.47Å; S699-Y703 WeakPolarHBondContact O-CD2 3.44Å; S699-Y703 PolarHBondContact O-N 3.28Å; R701-Y703 PolarHBondContact O-N 2.93Å; Y703-I706 CarbonylContact O-C 3.54Å; Y703-I706 VanDerWaalsContact O-O 3.11Å; Y703-H708 HydrophobicContact CD1-CB 4.33Å; Y703-H708 AromaticContact CD1-CG 3.94Å; Y703-H708 AromaticContact CD1-ND1 3.71Å; Y703-F710 AromaticContact CD1-CE2 3.77Å; Y703-F710 HydrophobicContact CD1-CE2 3.77Å; Y703-F710 AromaticContact CD1-CZ 3.78Å; Y703-F710 HydrophobicContact CD1-CZ 3.78Å; Y703-F710 AromaticContact CE1-CE2 3.89Å; Y703-F710 HydrophobicContact CE1-CE2 3.89Å; Y703-F710 AromaticContact CE1-CZ 3.42Å; Y703-F710 HydrophobicContact CE1-CZ 3.42Å; Y703-F710 VanDerWaalsContact CE1-CZ 3.42Å; Y703-F710 HydrophobicContact CG-CE2 4.27Å; Y703-F710 AromaticContact CZ-CZ 4Å; Y703-P715 HydrophobicContact CD2-CB 3.98Å; Y703-P715 HydrophobicContact CE2-CB 4.18Å; Y703-P715 HydrophobicContact CG-CB 4.36Å; Y703-P716 WeakPolarHBondContact CE2-O 3.48Å; Y703-P716 PolarHBondContact OH-O 3.19Å; Y703-P716 VanDerWaalsContact OH-O 3.12Å; Y703-L718 HydrophobicContact CE2-CD1 4.47Å; Y703-L718 HydrophobicContact CE2-CD2 4.31Å; Y703-L718 HydrophobicContact CE2-CG 4.06Å; Y703-L718 WeakPolarHBondContact OH-CD2 3.3Å |
| 704 | T | 92.9 | Very high | 90.4 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -74.4 | -44.3 | 170.1 | -55.5 | 0 | 0 | 0 | 0 | 110.3 | W289 Y599 L601 T700 R701 F702 | W289-T704 HydrophobicContact CH2-CG2 4.41Å; W289-T704 HydrophobicContact CZ3-CG2 3.88Å; Y599-T704 HydrophobicContact CD1-CG2 4.17Å; Y599-T704 HydrophobicContact CG-CG2 4.19Å; L601-T704 WeakPolarHBondContact CD2-O 3.17Å; T700-T704 WeakPolarHBondContact O-CB 3.17Å; T700-T704 PolarHBondContact O-N 3.02Å; T700-T704 PolarHBondContact O-OG1 3.28Å; R701-T704 WeakPolarHBondContact O-CB 3.17Å; R701-T704 PolarHBondContact O-N 3.25Å; R701-T704 VanDerWaalsContact O-N 3.1Å; F702-T704 PolarHBondContact O-N 3.04Å |
| 705 | L | 91.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.6 | -38.1 | 177.4 | -68.5 | 173.5 | 0 | 0 | 0 | 112.2 | Y599 Q663 E666 V670 R701 F702 P707 | Y599-L705 HydrophobicContact CD1-CD2 4.36Å; Y599-L705 HydrophobicContact CE1-CD2 3.56Å; Q663-L705 VanDerWaalsContact CD-O 3.27Å; Q663-L705 PolarHBondContact NE2-O 3.3Å; E666-L705 HydrophobicContact CB-CD1 4.12Å; E666-L705 HydrophobicContact CG-CD1 3.74Å; E666-L705 HydrophobicContact CG-CD2 4.42Å; E666-L705 VanDerWaalsContact OE2-CD2 3.29Å; E666-L705 WeakPolarHBondContact OE2-CD2 3.39Å; V670-L705 HydrophobicContact CG2-CD1 3.93Å; R701-L705 HydrophobicContact CG-CD1 4.11Å; R701-L705 HydrophobicContact CG-CG 4.45Å; R701-L705 WeakPolarHBondContact O-CG 3.19Å; R701-L705 PolarHBondContact O-N 3.28Å; F702-L705 PolarHBondContact O-N 3.23Å; L705-P707 WeakPolarHBondContact O-CD 3.37Å |
| 706 | I | 91.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -118.2 | 98.7 | -179.3 | -52.2 | -63.2 | 0 | 0 | 0 | 108.4 | L649 M654 A667 F702 Y703 H708 M730 L731 | L649-I706 HydrophobicContact CD2-CG2 3.51Å; M654-I706 HydrophobicContact CE-CG2 4.25Å; A667-I706 HydrophobicContact CB-CD1 3.9Å; A667-I706 HydrophobicContact CB-CG1 3.7Å; F702-I706 HydrophobicContact CE2-CG1 4.41Å; F702-I706 HydrophobicContact CZ-CG1 4.45Å; F702-I706 PolarHBondContact O-N 3.2Å; Y703-I706 CarbonylContact O-C 3.54Å; Y703-I706 VanDerWaalsContact O-O 3.11Å; I706-H708 PolarHBondContact O-N 2.91Å; I706-H708 PolarHBondContact O-ND1 3.47Å; I706-M730 HydrophobicContact CG2-CE 3.85Å; I706-L731 HydrophobicContact CD1-CD2 4.06Å; I706-L731 HydrophobicContact CG1-CD2 4.08Å |
| 707 | P | 90.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.019 | 14% | 0.136 | C | C | . | . | trans | -65.5 | 105.1 | -175.2 | -23.8 | 35.5 | 0 | 0 | 0 | 112.6 | I551 L601 D650 L705 | I551-P707 HydrophobicContact CD1-CB 4.07Å; L601-P707 HydrophobicContact CD1-CG 3.58Å; D650-P707 PolarHBondContact N-O 3.18Å; L705-P707 WeakPolarHBondContact O-CD 3.37Å | ||
| 708 | H | 90.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -93.1 | 148.1 | 176.5 | -74.1 | 62 | 0 | 0 | 0 | 112.2 | N526 I551 E648 F702 Y703 I706 F710 K727 | N526-H708 PolarHBondContact ND2-O 3.01Å; I551-H708 WeakPolarHBondContact CG2-O 3.46Å; E648-H708 CarbonylContact O-C 3.56Å; E648-H708 WeakPolarHBondContact O-CA 3.41Å; E648-H708 WeakPolarHBondContact O-CB 3.22Å; F702-H708 AromaticContact CE1-CE1 3.67Å; Y703-H708 HydrophobicContact CD1-CB 4.33Å; Y703-H708 AromaticContact CD1-CG 3.94Å; Y703-H708 AromaticContact CD1-ND1 3.71Å; I706-H708 PolarHBondContact O-N 2.91Å; I706-H708 PolarHBondContact O-ND1 3.47Å; H708-F710 HydrophobicContact CB-CD2 3.97Å; H708-F710 HydrophobicContact CB-CE1 4.08Å; H708-F710 HydrophobicContact CB-CE2 3.3Å; H708-F710 HydrophobicContact CB-CZ 3.35Å; H708-F710 AromaticContact CD2-CZ 3.78Å; H708-F710 AromaticContact CG-CZ 3.73Å; H708-K727 PolarHBondContact CD2-NZ 2.93Å; H708-K727 VanDerWaalsContact CD2-NZ 3.28Å; H708-K727 PolarHBondContact NE2-NZ 2.81Å |
| 709 | D | 88.9 | Confident | 89.9 | Confident | 58 Ų | 58 | 29.1 Ų | 29.1 | 31% | 0.31 | 15% | 0.148 | S | C | . | . | trans | -92.4 | 105.8 | 166.7 | -177.6 | -1.9 | 0 | 0 | 0 | 110.2 | G552 E648 G711 | G552-D709 VanDerWaalsContact CA-OD1 3.28Å; G552-D709 WeakPolarHBondContact CA-OD1 3.41Å; G552-D709 WeakPolarHBondContact CA-OD2 3.48Å; E648-D709 PolarHBondContact O-N 2.97Å; D709-G711 PolarHBondContact OD1-N 2.83Å | ||
| 710 | F | 86.7 | Confident | 89.5 | Confident | 22 Ų | 22 | 31.7 Ų | 31.7 | 10% | 0.096 | 16% | 0.162 | C | C | . | . | trans | -105.1 | 12.1 | 171.8 | -61.3 | -62.6 | 0 | 0 | 0 | 112.6 | Y703 H708 F712 K713 P715 P716 | Y703-F710 AromaticContact CD1-CE2 3.77Å; Y703-F710 HydrophobicContact CD1-CE2 3.77Å; Y703-F710 AromaticContact CD1-CZ 3.78Å; Y703-F710 HydrophobicContact CD1-CZ 3.78Å; Y703-F710 AromaticContact CE1-CE2 3.89Å; Y703-F710 HydrophobicContact CE1-CE2 3.89Å; Y703-F710 AromaticContact CE1-CZ 3.42Å; Y703-F710 HydrophobicContact CE1-CZ 3.42Å; Y703-F710 VanDerWaalsContact CE1-CZ 3.42Å; Y703-F710 HydrophobicContact CG-CE2 4.27Å; Y703-F710 AromaticContact CZ-CZ 4Å; H708-F710 HydrophobicContact CB-CD2 3.97Å; H708-F710 HydrophobicContact CB-CE1 4.08Å; H708-F710 HydrophobicContact CB-CE2 3.3Å; H708-F710 HydrophobicContact CB-CZ 3.35Å; H708-F710 AromaticContact CD2-CZ 3.78Å; H708-F710 AromaticContact CG-CZ 3.73Å; F710-F712 PolarHBondContact O-N 2.75Å; F710-K713 WeakPolarHBondContact CB-O 3.48Å; F710-K713 WeakPolarHBondContact O-CB 3.5Å; F710-K713 PolarHBondContact O-N 2.82Å; F710-P715 HydrophobicContact CD2-CB 3.68Å; F710-P715 HydrophobicContact CD2-CG 3.63Å; F710-P715 HydrophobicContact CE2-CB 3.51Å; F710-P715 HydrophobicContact CE2-CG 3.9Å; F710-P715 HydrophobicContact CZ-CB 4.32Å; F710-P716 HydrophobicContact CE1-CG 4.36Å | ||
| 711 | G | 85.9 | Confident | 89.1 | Confident | 20 Ų | 20 | 37.5 Ų | 37.5 | 21% | 0.206 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | -123 | -169.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | R550 D709 | R550-G711 PolarHBondContact NE-O 3.04Å; D709-G711 PolarHBondContact OD1-N 2.83Å |
| 712 | F | 80 | Confident | 88.7 | Confident | 142 Ų | 142 | 41.9 Ų | 41.9 | 62% | 0.623 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -3.7 | 177.9 | -57 | -82.4 | 0 | 0 | 0 | 114.5 | Q38 I555 F710 | Q38-F712 HydrophobicContact CG-CD1 4.29Å; Q38-F712 HydrophobicContact CG-CE1 4.48Å; I555-F712 HydrophobicContact CD1-CD1 4.08Å; I555-F712 HydrophobicContact CD1-CE1 3.48Å; I555-F712 VanDerWaalsContact CD1-CE1 3.48Å; I555-F712 HydrophobicContact CD1-CZ 4.48Å; I555-F712 HydrophobicContact CG1-CE1 4.44Å; F710-F712 PolarHBondContact O-N 2.75Å |
| 713 | K | 81.2 | Confident | 88.4 | Confident | 115 Ų | 115 | 44.1 Ų | 44.1 | 50% | 0.5 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -79.1 | 150.4 | -178.4 | -63 | 178 | -178.7 | 174.8 | 0 | 110.7 | E463 R550 F710 | E463-K713 IonicContact OE1-NZ 2.78Å; E463-K713 PolarHBondContact OE1-NZ 2.93Å; E463-K713 IonicContact OE2-NZ 2.9Å; E463-K713 PolarHBondContact OE2-NZ 2.91Å; R550-K713 PolarHBondContact NH2-O 3.1Å; F710-K713 WeakPolarHBondContact CB-O 3.48Å; F710-K713 WeakPolarHBondContact O-CB 3.5Å; F710-K713 PolarHBondContact O-N 2.82Å |
| 714 | T | 81.6 | Confident | 88.3 | Confident | 47 Ų | 47 | 44.1 Ų | 44.1 | 29% | 0.288 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -67.7 | 133.1 | 170.3 | -67.4 | 0 | 0 | 0 | 0 | 109.3 | L521 G524 | L521-T714 WeakPolarHBondContact O-CG2 3.46Å; G524-T714 WeakPolarHBondContact CA-OG1 3.14Å |
| 715 | P | 89.1 | Confident | 88 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -52 | 131.2 | 171.9 | -23.7 | 30.2 | 0 | 0 | 0 | 111.1 | V519 L521 N526 Y703 F710 | V519-P715 HydrophobicContact CG1-CB 4.48Å; V519-P715 HydrophobicContact CG1-CG 3.89Å; L521-P715 HydrophobicContact CD1-CB 4.24Å; L521-P715 HydrophobicContact CG-CB 4.15Å; N526-P715 HydrophobicContact CB-CG 4.15Å; Y703-P715 HydrophobicContact CD2-CB 3.98Å; Y703-P715 HydrophobicContact CE2-CB 4.18Å; Y703-P715 HydrophobicContact CG-CB 4.36Å; F710-P715 HydrophobicContact CD2-CB 3.68Å; F710-P715 HydrophobicContact CD2-CG 3.63Å; F710-P715 HydrophobicContact CE2-CB 3.51Å; F710-P715 HydrophobicContact CE2-CG 3.9Å; F710-P715 HydrophobicContact CZ-CB 4.32Å |
| 716 | P | 90.3 | Very high | 88 | Confident | 55 Ų | 55 | 51.4 Ų | 51.4 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 151.3 | -178.1 | 27.7 | -31.3 | 0 | 0 | 0 | 111.3 | Y703 F710 | Y703-P716 WeakPolarHBondContact CE2-O 3.48Å; Y703-P716 PolarHBondContact OH-O 3.19Å; Y703-P716 VanDerWaalsContact OH-O 3.12Å; F710-P716 HydrophobicContact CE1-CG 4.36Å |
| 717 | M | 90.9 | Very high | 88.1 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 139.7 | 174.8 | -160.3 | 168 | 95.1 | 0 | 0 | 110.4 | M1 L521 R692 I695 L696 D719 | M1-M717 HydrophobicContact CE-CB 4.02Å; L521-M717 HydrophobicContact CD2-CB 4.42Å; R692-M717 HydrophobicContact CG-CE 4.24Å; I695-M717 HydrophobicContact CB-CE 4.42Å; I695-M717 HydrophobicContact CG2-CE 3.74Å; I695-M717 HydrophobicContact CG2-CG 4.07Å; I695-M717 HydrophobicContact CG2-SD 4.29Å; L696-M717 HydrophobicContact CB-SD 4.47Å; L696-M717 HydrophobicContact CD1-SD 4.34Å; M717-D719 VanDerWaalsContact C-N 3.27Å; M717-D719 HydrophobicContact CB-CB 4.41Å; M717-D719 HydrophobicContact CE-CB 3.39Å; M717-D719 HydrophobicContact CG-CB 4.19Å; M717-D719 PolarHBondContact O-N 3.41Å; M717-D719 VanDerWaalsContact O-N 3.09Å |
| 718 | L | 92.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -85.7 | 65.2 | 177.6 | -60.3 | -179.5 | 0 | 0 | 0 | 110.5 | L671 L674 S699 F702 Y703 I723 K727 | L671-L718 HydrophobicContact CD2-CD1 3.95Å; L674-L718 HydrophobicContact CD1-CB 3.74Å; L674-L718 HydrophobicContact CD1-CD1 3.58Å; L674-L718 HydrophobicContact CD1-CG 4.3Å; L674-L718 HydrophobicContact CD2-CB 4.42Å; S699-L718 WeakPolarHBondContact OG-CB 3.49Å; S699-L718 PolarHBondContact OG-N 2.98Å; F702-L718 HydrophobicContact CB-CD1 3.72Å; F702-L718 HydrophobicContact CD1-CD1 3.61Å; F702-L718 HydrophobicContact CD2-CD1 4.37Å; F702-L718 HydrophobicContact CE1-CD1 4.33Å; F702-L718 HydrophobicContact CG-CD1 3.63Å; Y703-L718 HydrophobicContact CE2-CD1 4.47Å; Y703-L718 HydrophobicContact CE2-CD2 4.31Å; Y703-L718 HydrophobicContact CE2-CG 4.06Å; Y703-L718 WeakPolarHBondContact OH-CD2 3.3Å; L718-I723 HydrophobicContact CD2-CG2 3.44Å; L718-I723 VanDerWaalsContact CD2-CG2 3.44Å; L718-K727 HydrophobicContact CD2-CG 4.13Å | ||
| 719 | D | 87.7 | Confident | 88.1 | Confident | 70 Ų | 70 | 55.8 Ų | 55.8 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | trans | -106.6 | 3.2 | -164.3 | 66.2 | 4.5 | 0 | 0 | 0 | 115.6 | I678 I695 M717 | I678-D719 VanDerWaalsContact CD1-C 3.45Å; I695-D719 HydrophobicContact CG2-CB 4.09Å; M717-D719 VanDerWaalsContact C-N 3.27Å; M717-D719 HydrophobicContact CB-CB 4.41Å; M717-D719 HydrophobicContact CE-CB 3.39Å; M717-D719 HydrophobicContact CG-CB 4.19Å; M717-D719 PolarHBondContact O-N 3.41Å; M717-D719 VanDerWaalsContact O-N 3.09Å | ||
| 720 | N | 86.3 | Confident | 88.3 | Confident | 54 Ų | 54 | 53.2 Ų | 53.2 | 29% | 0.289 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -145.1 | 155.6 | -179.5 | 66.4 | 81.4 | 0 | 0 | 0 | 112.6 | K722 I723 I724 | N720-K722 VanDerWaalsContact C-N 3.26Å; N720-K722 PolarHBondContact O-N 2.99Å; N720-K722 WeakPolarHBondContact OD1-CB 3.32Å; N720-K722 PolarHBondContact OD1-N 3.41Å; N720-I723 WeakPolarHBondContact ND2-CD1 3.27Å; N720-I723 PolarHBondContact O-N 3.23Å; N720-I723 PolarHBondContact OD1-N 3.36Å; N720-I724 PolarHBondContact O-N 3.41Å |
| 721 | K | 86.7 | Confident | 88.6 | Confident | 123 Ų | 123 | 52.2 Ų | 52.2 | 54% | 0.535 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -53.2 | -40.5 | -178.6 | 176.4 | 163.3 | -174.1 | 179.1 | 0 | 112.8 | I724 T725 T853 | K721-I724 PolarHBondContact O-N 3.02Å; K721-T725 WeakPolarHBondContact O-CB 3.47Å; K721-T725 PolarHBondContact O-N 3.19Å; K721-T725 PolarHBondContact O-OG1 3.43Å; K721-T853 HydrophobicContact CB-CG2 4.15Å; K721-T853 HydrophobicContact CD-CG2 3.81Å; K721-T853 HydrophobicContact CG-CG2 3.55Å |
| 722 | K | 87.5 | Confident | 88.8 | Confident | 150 Ų | 150 | 53.7 Ų | 53.7 | 65% | 0.652 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | -176.5 | -176 | 179.7 | 179.9 | 177.7 | 0 | 112.4 | N720 K726 | N720-K722 VanDerWaalsContact C-N 3.26Å; N720-K722 PolarHBondContact O-N 2.99Å; N720-K722 WeakPolarHBondContact OD1-CB 3.32Å; N720-K722 PolarHBondContact OD1-N 3.41Å; K722-K726 WeakPolarHBondContact O-CG 3.22Å; K722-K726 PolarHBondContact O-N 3.04Å |
| 723 | I | 89.9 | Confident | 89.3 | Confident | 46 Ų | 46 | 47.7 Ų | 47.7 | 24% | 0.236 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.1 | -42.2 | 178.2 | -60.6 | 177.9 | 0 | 0 | 0 | 110.1 | L718 N720 K726 K727 | L718-I723 HydrophobicContact CD2-CG2 3.44Å; L718-I723 VanDerWaalsContact CD2-CG2 3.44Å; N720-I723 WeakPolarHBondContact ND2-CD1 3.27Å; N720-I723 PolarHBondContact O-N 3.23Å; N720-I723 PolarHBondContact OD1-N 3.36Å; I723-K726 WeakPolarHBondContact O-CB 3.37Å; I723-K726 PolarHBondContact O-N 3.19Å; I723-K727 PolarHBondContact O-N 3.4Å; I723-K727 VanDerWaalsContact O-N 3.1Å |
| 724 | I | 91.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.2 | -49 | 177.4 | -69.5 | 171.3 | 0 | 0 | 0 | 111 | L671 L674 I678 N720 K721 K726 K727 I728 | L671-I724 HydrophobicContact CB-CG2 4.49Å; L674-I724 HydrophobicContact CB-CD1 3.82Å; I678-I724 HydrophobicContact CD1-CD1 3.3Å; N720-I724 PolarHBondContact O-N 3.41Å; K721-I724 PolarHBondContact O-N 3.02Å; I724-K726 VanDerWaalsContact C-N 3.28Å; I724-K726 PolarHBondContact O-N 3.24Å; I724-K727 CarbonylContact O-C 3.53Å; I724-K727 WeakPolarHBondContact O-CA 3.5Å; I724-K727 PolarHBondContact O-N 3.49Å; I724-I728 HydrophobicContact CG2-CD1 4.08Å; I724-I728 HydrophobicContact CG2-CG1 4.33Å; I724-I728 WeakPolarHBondContact O-CG1 3.22Å; I724-I728 PolarHBondContact O-N 2.68Å |
| 725 | T | 88.1 | Confident | 90.2 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 16% | 0.16 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57 | -40.3 | 177.6 | -59 | 0 | 0 | 0 | 0 | 112.2 | K721 K727 I728 H729 T853 G854 | K721-T725 WeakPolarHBondContact O-CB 3.47Å; K721-T725 PolarHBondContact O-N 3.19Å; K721-T725 PolarHBondContact O-OG1 3.43Å; T725-K727 VanDerWaalsContact C-N 3.32Å; T725-K727 PolarHBondContact O-N 3.24Å; T725-I728 PolarHBondContact O-N 3.16Å; T725-H729 WeakPolarHBondContact CG2-NE2 3.41Å; T725-H729 PolarHBondContact O-CD2 3.42Å; T725-H729 PolarHBondContact O-N 2.95Å; T725-H729 VanDerWaalsContact O-N 3.14Å; T725-T853 PolarHBondContact OG1-O 3.48Å; T725-G854 VanDerWaalsContact OG1-CA 3.28Å; T725-G854 WeakPolarHBondContact OG1-CA 3.29Å |
| 726 | K | 90.9 | Very high | 90.3 | Very high | 131 Ų | 131 | 42.5 Ų | 42.5 | 57% | 0.57 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -61.6 | -39.8 | 173.7 | -74.5 | -177.4 | 171.3 | -162.1 | 0 | 112.7 | K722 I723 I724 M730 | K722-K726 WeakPolarHBondContact O-CG 3.22Å; K722-K726 PolarHBondContact O-N 3.04Å; I723-K726 WeakPolarHBondContact O-CB 3.37Å; I723-K726 PolarHBondContact O-N 3.19Å; I724-K726 VanDerWaalsContact C-N 3.28Å; I724-K726 PolarHBondContact O-N 3.24Å; K726-M730 PolarHBondContact O-N 2.97Å; K726-M730 VanDerWaalsContact O-N 3.1Å |
| 727 | K | 93.8 | Very high | 90.3 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 10% | 0.096 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -74.1 | -29.3 | 179.1 | -64.6 | -54.3 | 178 | -173.5 | 0 | 112.5 | E648 L671 F702 H708 L718 I723 I724 T725 M730 L731 | E648-K727 IonicContact OE2-NZ 2.71Å; L671-K727 HydrophobicContact CD1-CB 3.92Å; L671-K727 HydrophobicContact CD2-CB 4.09Å; F702-K727 HydrophobicContact CE1-CB 4.25Å; F702-K727 HydrophobicContact CE1-CD 3.94Å; F702-K727 HydrophobicContact CE1-CG 3.96Å; F702-K727 HydrophobicContact CE2-CB 4.34Å; F702-K727 HydrophobicContact CZ-CB 3.72Å; F702-K727 HydrophobicContact CZ-CD 4.05Å; F702-K727 HydrophobicContact CZ-CG 3.95Å; H708-K727 PolarHBondContact CD2-NZ 2.93Å; H708-K727 VanDerWaalsContact CD2-NZ 3.28Å; H708-K727 PolarHBondContact NE2-NZ 2.81Å; L718-K727 HydrophobicContact CD2-CG 4.13Å; I723-K727 PolarHBondContact O-N 3.4Å; I723-K727 VanDerWaalsContact O-N 3.1Å; I724-K727 CarbonylContact O-C 3.53Å; I724-K727 WeakPolarHBondContact O-CA 3.5Å; I724-K727 PolarHBondContact O-N 3.49Å; T725-K727 VanDerWaalsContact C-N 3.32Å; T725-K727 PolarHBondContact O-N 3.24Å; K727-M730 HydrophobicContact CD-CE 4.19Å; K727-M730 HydrophobicContact CD-SD 3.89Å; K727-M730 WeakPolarHBondContact O-CB 3.47Å; K727-M730 PolarHBondContact O-N 3.18Å; K727-L731 WeakPolarHBondContact O-CG 3.48Å; K727-L731 PolarHBondContact O-N 3.44Å; K727-L731 VanDerWaalsContact O-N 3.09Å |
| 728 | I | 91.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.4 | -55.4 | 169.1 | -66.4 | 173.3 | 0 | 0 | 0 | 110 | Y668 L671 I724 T725 M730 L731 E732 P851 T853 Y855 | Y668-I728 HydrophobicContact CE1-CG2 4.2Å; L671-I728 HydrophobicContact CD1-CG1 3.9Å; I724-I728 HydrophobicContact CG2-CD1 4.08Å; I724-I728 HydrophobicContact CG2-CG1 4.33Å; I724-I728 WeakPolarHBondContact O-CG1 3.22Å; I724-I728 PolarHBondContact O-N 2.68Å; T725-I728 PolarHBondContact O-N 3.16Å; I728-M730 PolarHBondContact O-N 3.07Å; I728-L731 PolarHBondContact O-N 2.92Å; I728-E732 HydrophobicContact CG2-CG 4.5Å; I728-E732 WeakPolarHBondContact O-CG 3.35Å; I728-E732 PolarHBondContact O-N 3.15Å; I728-P851 HydrophobicContact CD1-CB 3.71Å; I728-P851 HydrophobicContact CD1-CG 3.44Å; I728-P851 VanDerWaalsContact CD1-CG 3.44Å; I728-P851 HydrophobicContact CG1-CG 3.77Å; I728-T853 WeakPolarHBondContact CD1-O 3.01Å; I728-Y855 HydrophobicContact CG2-CE2 4.27Å; I728-Y855 VanDerWaalsContact CG2-OH 3.25Å; I728-Y855 WeakPolarHBondContact CG2-OH 3.48Å |
| 729 | H | 89.5 | Confident | 89.9 | Confident | 75 Ų | 75 | 41 Ų | 41 | 35% | 0.347 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.4 | -37.3 | 179.8 | -65.9 | -47.5 | 0 | 0 | 0 | 112.9 | T725 L731 E732 D733 | T725-H729 WeakPolarHBondContact CG2-NE2 3.41Å; T725-H729 PolarHBondContact O-CD2 3.42Å; T725-H729 PolarHBondContact O-N 2.95Å; T725-H729 VanDerWaalsContact O-N 3.14Å; H729-L731 PolarHBondContact O-N 2.81Å; H729-E732 WeakPolarHBondContact CA-OE2 3.35Å; H729-E732 IonicContact CE1-OE2 3.71Å; H729-E732 IonicContact CG-OE2 2.68Å; H729-E732 IonicContact ND1-OE2 2.78Å; H729-E732 PolarHBondContact ND1-OE2 2.89Å; H729-E732 WeakPolarHBondContact O-CB 3.44Å; H729-E732 PolarHBondContact O-N 3.07Å; H729-D733 PolarHBondContact O-N 3.25Å |
| 730 | M | 92.8 | Very high | 90 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 172.5 | -179.4 | -165.7 | 83.9 | 0 | 0 | 112.3 | F647 L649 F702 I706 K726 K727 I728 E732 D733 L734 | F647-M730 HydrophobicContact CB-CG 3.7Å; F647-M730 HydrophobicContact CB-SD 3.97Å; F647-M730 HydrophobicContact CD1-CB 4.31Å; F647-M730 HydrophobicContact CD1-CG 3.99Å; F647-M730 HydrophobicContact CD2-CG 3.77Å; F647-M730 HydrophobicContact CE2-CG 4.39Å; F647-M730 HydrophobicContact CG-CB 4.35Å; F647-M730 HydrophobicContact CG-CG 3.56Å; F647-M730 HydrophobicContact CG-SD 4.46Å; L649-M730 HydrophobicContact CD2-SD 4.39Å; F702-M730 HydrophobicContact CE1-CE 4.37Å; F702-M730 HydrophobicContact CZ-CE 3.73Å; I706-M730 HydrophobicContact CG2-CE 3.85Å; K726-M730 PolarHBondContact O-N 2.97Å; K726-M730 VanDerWaalsContact O-N 3.1Å; K727-M730 HydrophobicContact CD-CE 4.19Å; K727-M730 HydrophobicContact CD-SD 3.89Å; K727-M730 WeakPolarHBondContact O-CB 3.47Å; K727-M730 PolarHBondContact O-N 3.18Å; I728-M730 PolarHBondContact O-N 3.07Å; M730-E732 VanDerWaalsContact C-N 3.32Å; M730-D733 PolarHBondContact O-N 2.85Å; M730-L734 HydrophobicContact CE-CD1 4.35Å; M730-L734 HydrophobicContact CG-CD1 4.44Å; M730-L734 VanDerWaalsContact O-CG 3.3Å; M730-L734 WeakPolarHBondContact O-CG 3.47Å; M730-L734 PolarHBondContact O-N 3.42Å |
| 731 | L | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.8 | -32.2 | 178.1 | -66.2 | -174.4 | 0 | 0 | 0 | 112.3 | I664 A667 Y668 L671 F702 I706 K727 I728 H729 L734 L735 | I664-L731 HydrophobicContact CG2-CB 3.98Å; I664-L731 HydrophobicContact CG2-CD2 4.1Å; I664-L731 HydrophobicContact CG2-CG 4.4Å; A667-L731 HydrophobicContact CB-CD1 3.76Å; A667-L731 HydrophobicContact CB-CD2 4.13Å; Y668-L731 HydrophobicContact CD1-CB 4.35Å; Y668-L731 HydrophobicContact CD1-CD1 3.7Å; Y668-L731 HydrophobicContact CD2-CB 4.4Å; Y668-L731 HydrophobicContact CD2-CD1 4.04Å; Y668-L731 HydrophobicContact CE1-CB 3.71Å; Y668-L731 HydrophobicContact CE1-CD1 3.92Å; Y668-L731 HydrophobicContact CE1-CG 4.44Å; Y668-L731 HydrophobicContact CE2-CB 3.74Å; Y668-L731 HydrophobicContact CE2-CD1 4.21Å; Y668-L731 HydrophobicContact CG-CD1 3.78Å; Y668-L731 WeakPolarHBondContact OH-CB 3.41Å; L671-L731 HydrophobicContact CD1-CD1 3.79Å; L671-L731 HydrophobicContact CD1-CG 4.5Å; F702-L731 HydrophobicContact CE2-CD1 4.22Å; I706-L731 HydrophobicContact CD1-CD2 4.06Å; I706-L731 HydrophobicContact CG1-CD2 4.08Å; K727-L731 WeakPolarHBondContact O-CG 3.48Å; K727-L731 PolarHBondContact O-N 3.44Å; K727-L731 VanDerWaalsContact O-N 3.09Å; I728-L731 PolarHBondContact O-N 2.92Å; H729-L731 PolarHBondContact O-N 2.81Å; L731-L734 HydrophobicContact CD2-CD1 4.24Å; L731-L734 PolarHBondContact O-N 2.85Å; L731-L735 PolarHBondContact O-N 2.98Å |
| 732 | E | 91 | Very high | 89.9 | Confident | 51 Ų | 51 | 35 Ų | 35 | 24% | 0.238 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.7 | -51.5 | 174.5 | -66.6 | 176.3 | 143.2 | 0 | 0 | 109.9 | Y668 I728 H729 M730 L734 L735 E736 Y855 | Y668-E732 VanDerWaalsContact OH-CA 3.26Å; Y668-E732 WeakPolarHBondContact OH-CA 3.07Å; Y668-E732 WeakPolarHBondContact OH-CG 3.49Å; Y668-E732 PolarHBondContact OH-N 3.23Å; I728-E732 HydrophobicContact CG2-CG 4.5Å; I728-E732 WeakPolarHBondContact O-CG 3.35Å; I728-E732 PolarHBondContact O-N 3.15Å; H729-E732 WeakPolarHBondContact CA-OE2 3.35Å; H729-E732 IonicContact CE1-OE2 3.71Å; H729-E732 IonicContact CG-OE2 2.68Å; H729-E732 IonicContact ND1-OE2 2.78Å; H729-E732 PolarHBondContact ND1-OE2 2.89Å; H729-E732 WeakPolarHBondContact O-CB 3.44Å; H729-E732 PolarHBondContact O-N 3.07Å; M730-E732 VanDerWaalsContact C-N 3.32Å; E732-L734 VanDerWaalsContact C-N 3.3Å; E732-L734 PolarHBondContact O-N 3.42Å; E732-L735 PolarHBondContact O-N 2.88Å; E732-E736 PolarHBondContact O-N 3.35Å; E732-Y855 WeakPolarHBondContact OE1-CE1 3.29Å; E732-Y855 VanDerWaalsContact OE1-CZ 3.25Å; E732-Y855 PolarHBondContact OE1-OH 2.75Å |
| 733 | D | 90.7 | Very high | 89.8 | Confident | 16 Ų | 16 | 28.8 Ų | 28.8 | 9% | 0.086 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.7 | -36.4 | 177.9 | -72 | -34.2 | 0 | 0 | 0 | 111.7 | F647 H729 M730 E736 I737 R831 N834 | F647-D733 HydrophobicContact CE2-CB 3.6Å; F647-D733 HydrophobicContact CZ-CB 3.7Å; F647-D733 WeakPolarHBondContact CZ-OD2 3.38Å; H729-D733 PolarHBondContact O-N 3.25Å; M730-D733 PolarHBondContact O-N 2.85Å; D733-E736 PolarHBondContact O-N 3.48Å; D733-I737 WeakPolarHBondContact O-CB 3.24Å; D733-I737 VanDerWaalsContact O-CG1 3.25Å; D733-I737 WeakPolarHBondContact O-CG1 3.38Å; D733-I737 PolarHBondContact O-N 3.33Å; D733-R831 WeakPolarHBondContact OD2-CD 3.4Å; D733-R831 IonicContact OD2-NE 2.65Å; D733-R831 PolarHBondContact OD2-NE 3.37Å; D733-R831 VanDerWaalsContact OD2-NE 3.15Å; D733-N834 PolarHBondContact OD1-ND2 2.9Å |
| 734 | L | 91.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.1 | -37.8 | 175.8 | -74.7 | 179.6 | 0 | 0 | 0 | 113.5 | M644 L649 M654 L659 I664 M730 L731 E732 E736 I737 E738 | M644-L734 HydrophobicContact CE-CD2 4.13Å; M644-L734 HydrophobicContact CG-CD2 3.91Å; L649-L734 HydrophobicContact CD1-CD1 3.83Å; L649-L734 HydrophobicContact CD1-CD2 3.62Å; L649-L734 HydrophobicContact CD1-CG 4.19Å; M654-L734 HydrophobicContact CE-CD1 4.47Å; L659-L734 HydrophobicContact CD2-CD2 4.26Å; I664-L734 HydrophobicContact CD1-CB 3.96Å; M730-L734 HydrophobicContact CE-CD1 4.35Å; M730-L734 HydrophobicContact CG-CD1 4.44Å; M730-L734 VanDerWaalsContact O-CG 3.3Å; M730-L734 WeakPolarHBondContact O-CG 3.47Å; M730-L734 PolarHBondContact O-N 3.42Å; L731-L734 HydrophobicContact CD2-CD1 4.24Å; L731-L734 PolarHBondContact O-N 2.85Å; E732-L734 VanDerWaalsContact C-N 3.3Å; E732-L734 PolarHBondContact O-N 3.42Å; L734-E736 VanDerWaalsContact C-N 3.34Å; L734-I737 PolarHBondContact O-N 2.99Å; L734-E738 VanDerWaalsContact O-CB 3.31Å; L734-E738 WeakPolarHBondContact O-CB 3.19Å; L734-E738 PolarHBondContact O-N 3.43Å |
| 735 | L | 90.1 | Very high | 88.8 | Confident | 27 Ų | 27 | 28.2 Ų | 28.2 | 14% | 0.141 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 174.4 | -78.7 | 175.3 | 0 | 0 | 0 | 111.4 | I664 Y668 L731 E732 E738 L739 | I664-L735 HydrophobicContact CB-CD2 4.03Å; I664-L735 HydrophobicContact CB-CG 4.41Å; I664-L735 HydrophobicContact CD1-CD2 3.91Å; I664-L735 HydrophobicContact CD1-CG 4.28Å; I664-L735 HydrophobicContact CG2-CD1 4.2Å; I664-L735 HydrophobicContact CG2-CD2 3.81Å; I664-L735 HydrophobicContact CG2-CG 3.66Å; Y668-L735 HydrophobicContact CE2-CD1 3.75Å; L731-L735 PolarHBondContact O-N 2.98Å; E732-L735 PolarHBondContact O-N 2.88Å; L735-E738 PolarHBondContact O-N 3.46Å; L735-L739 WeakPolarHBondContact O-CB 3.43Å; L735-L739 PolarHBondContact O-N 3.02Å |
| 736 | E | 91.2 | Very high | 87.8 | Confident | 27 Ų | 27 | 29.2 Ų | 29.2 | 13% | 0.126 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.5 | -42 | 177 | -65.6 | -63.4 | 167 | 0 | 0 | 111.9 | E732 D733 L734 L739 A740 N834 G837 R844 | E732-E736 PolarHBondContact O-N 3.35Å; D733-E736 PolarHBondContact O-N 3.48Å; L734-E736 VanDerWaalsContact C-N 3.34Å; E736-L739 PolarHBondContact O-N 3.08Å; E736-A740 VanDerWaalsContact O-CB 3.28Å; E736-A740 WeakPolarHBondContact O-CB 3.27Å; E736-A740 PolarHBondContact O-N 2.88Å; E736-N834 HydrophobicContact CB-CB 3.93Å; E736-N834 WeakPolarHBondContact CB-OD1 3.26Å; E736-N834 HydrophobicContact CG-CB 3.89Å; E736-G837 WeakPolarHBondContact OE2-CA 3.39Å; E736-R844 IonicContact OE1-CZ 2.72Å; E736-R844 IonicContact OE1-NE 3.51Å; E736-R844 IonicContact OE1-NH2 3.61Å; E736-R844 PolarHBondContact OE1-NH2 2.9Å; E736-R844 IonicContact OE2-NH2 3.78Å; E736-R844 PolarHBondContact OE2-NH2 3.33Å |
| 737 | I | 89.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 175.3 | -74.5 | 168.5 | 0 | 0 | 0 | 111.3 | M640 T643 M644 L656 L659 D733 L734 A740 Y741 T833 | M640-I737 HydrophobicContact CB-CG2 4.16Å; T643-I737 HydrophobicContact CG2-CD1 3.93Å; M644-I737 HydrophobicContact CG-CD1 4.17Å; M644-I737 HydrophobicContact SD-CG2 4.44Å; L656-I737 HydrophobicContact CD2-CG2 3.09Å; L659-I737 HydrophobicContact CD1-CG2 4.16Å; D733-I737 WeakPolarHBondContact O-CB 3.24Å; D733-I737 VanDerWaalsContact O-CG1 3.25Å; D733-I737 WeakPolarHBondContact O-CG1 3.38Å; D733-I737 PolarHBondContact O-N 3.33Å; L734-I737 PolarHBondContact O-N 2.99Å; I737-A740 PolarHBondContact O-N 2.94Å; I737-Y741 VanDerWaalsContact O-CB 3.27Å; I737-Y741 WeakPolarHBondContact O-CB 3.33Å; I737-Y741 PolarHBondContact O-N 2.83Å; I737-T833 HydrophobicContact CD1-CG2 4.34Å; I737-T833 HydrophobicContact CG1-CG2 4.19Å |
| 738 | E | 88.3 | Confident | 84.7 | Confident | 15 Ų | 15 | 32.5 Ų | 32.5 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.5 | -46 | 178.4 | -173.7 | -90.3 | -172.6 | 0 | 0 | 111.2 | L659 L734 L735 Y741 K742 | L659-E738 HydrophobicContact CB-CB 4.09Å; L659-E738 HydrophobicContact CB-CG 3.79Å; L659-E738 HydrophobicContact CD1-CB 4.38Å; L734-E738 VanDerWaalsContact O-CB 3.31Å; L734-E738 WeakPolarHBondContact O-CB 3.19Å; L734-E738 PolarHBondContact O-N 3.43Å; L735-E738 PolarHBondContact O-N 3.46Å; E738-Y741 PolarHBondContact O-N 3.19Å; E738-K742 WeakPolarHBondContact O-CG 3.37Å; E738-K742 PolarHBondContact O-N 3.4Å; E738-K742 WeakPolarHBondContact OE1-CD 3.39Å; E738-K742 WeakPolarHBondContact OE1-CE 3.16Å; E738-K742 IonicContact OE1-NZ 2.75Å; E738-K742 PolarHBondContact OE1-NZ 2.93Å |
| 739 | L | 88.2 | Confident | 83.7 | Confident | 23 Ų | 23 | 35.8 Ų | 35.8 | 12% | 0.12 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62 | -49.5 | 176.5 | 173.3 | 61.3 | 0 | 0 | 0 | 111.4 | L735 E736 Y741 K742 M743 Q841 | L735-L739 WeakPolarHBondContact O-CB 3.43Å; L735-L739 PolarHBondContact O-N 3.02Å; E736-L739 PolarHBondContact O-N 3.08Å; L739-Y741 VanDerWaalsContact C-N 3.3Å; L739-Y741 PolarHBondContact O-N 3.4Å; L739-K742 PolarHBondContact O-N 2.91Å; L739-M743 HydrophobicContact CD1-CG 4.43Å; L739-M743 HydrophobicContact CD1-SD 4.35Å; L739-M743 HydrophobicContact CG-SD 4.24Å; L739-M743 WeakPolarHBondContact O-CG 3.39Å; L739-M743 PolarHBondContact O-N 2.8Å; L739-Q841 HydrophobicContact CD2-CG 4.04Å |
| 740 | A | 89.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | M640 E736 I737 M743 L744 M836 | M640-A740 HydrophobicContact CE-CB 3.6Å; M640-A740 HydrophobicContact SD-CB 4.41Å; E736-A740 VanDerWaalsContact O-CB 3.28Å; E736-A740 WeakPolarHBondContact O-CB 3.27Å; E736-A740 PolarHBondContact O-N 2.88Å; I737-A740 PolarHBondContact O-N 2.94Å; A740-M743 WeakPolarHBondContact O-CB 3.47Å; A740-M743 PolarHBondContact O-N 2.89Å; A740-L744 WeakPolarHBondContact O-CG 3.32Å; A740-L744 PolarHBondContact O-N 3.02Å; A740-M836 HydrophobicContact CB-CB 3.67Å; A740-M836 HydrophobicContact CB-CG 4.28Å |
| 741 | Y | 86.2 | Confident | 82.2 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 13% | 0.125 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 178.1 | -165.7 | -99.1 | 0 | 0 | 0 | 111.9 | I613 V637 L656 I737 E738 L739 M743 L744 Q745 | I613-Y741 HydrophobicContact CD1-CD2 4.48Å; I613-Y741 HydrophobicContact CD1-CE2 4.03Å; V637-Y741 HydrophobicContact CG1-CE2 4.15Å; L656-Y741 HydrophobicContact CB-CD1 4.33Å; L656-Y741 HydrophobicContact CB-CD2 3.82Å; L656-Y741 HydrophobicContact CB-CE1 4.3Å; L656-Y741 HydrophobicContact CB-CE2 3.81Å; L656-Y741 HydrophobicContact CB-CG 4.09Å; L656-Y741 HydrophobicContact CD1-CD2 4.04Å; L656-Y741 HydrophobicContact CD1-CE2 4.05Å; L656-Y741 HydrophobicContact CG-CD2 4.41Å; I737-Y741 VanDerWaalsContact O-CB 3.27Å; I737-Y741 WeakPolarHBondContact O-CB 3.33Å; I737-Y741 PolarHBondContact O-N 2.83Å; E738-Y741 PolarHBondContact O-N 3.19Å; L739-Y741 VanDerWaalsContact C-N 3.3Å; L739-Y741 PolarHBondContact O-N 3.4Å; Y741-M743 VanDerWaalsContact C-N 3.3Å; Y741-M743 PolarHBondContact O-N 2.79Å; Y741-L744 PolarHBondContact O-N 3.42Å; Y741-L744 VanDerWaalsContact O-N 3.11Å; Y741-Q745 HydrophobicContact CD1-CG 4.39Å; Y741-Q745 HydrophobicContact CE1-CG 4.22Å; Y741-Q745 WeakPolarHBondContact O-CG 3.36Å; Y741-Q745 PolarHBondContact O-N 3.1Å |
| 742 | K | 84.1 | Confident | 81.7 | Confident | 90 Ų | 90 | 49 Ų | 49 | 39% | 0.391 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.5 | -39.3 | 173.9 | -80.3 | -177.1 | 168.6 | 173.8 | 0 | 112.7 | D604 E738 L739 L744 Q745 | D604-K742 WeakPolarHBondContact OD2-CE 3.35Å; D604-K742 IonicContact OD2-NZ 3.4Å; D604-K742 PolarHBondContact OD2-NZ 2.85Å; E738-K742 WeakPolarHBondContact O-CG 3.37Å; E738-K742 PolarHBondContact O-N 3.4Å; E738-K742 WeakPolarHBondContact OE1-CD 3.39Å; E738-K742 WeakPolarHBondContact OE1-CE 3.16Å; E738-K742 IonicContact OE1-NZ 2.75Å; E738-K742 PolarHBondContact OE1-NZ 2.93Å; L739-K742 PolarHBondContact O-N 2.91Å; K742-L744 VanDerWaalsContact C-N 3.34Å; K742-Q745 PolarHBondContact O-N 2.97Å |
| 743 | M | 85.1 | Confident | 81.5 | Confident | 18 Ų | 18 | 47.1 Ų | 47.1 | 9% | 0.089 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.3 | -35.3 | 174.7 | -64.4 | 170.7 | 72.4 | 0 | 0 | 112.1 | L739 A740 Y741 Q745 Q761 L762 M836 S840 | L739-M743 HydrophobicContact CD1-CG 4.43Å; L739-M743 HydrophobicContact CD1-SD 4.35Å; L739-M743 HydrophobicContact CG-SD 4.24Å; L739-M743 WeakPolarHBondContact O-CG 3.39Å; L739-M743 PolarHBondContact O-N 2.8Å; A740-M743 WeakPolarHBondContact O-CB 3.47Å; A740-M743 PolarHBondContact O-N 2.89Å; Y741-M743 VanDerWaalsContact C-N 3.3Å; Y741-M743 PolarHBondContact O-N 2.79Å; M743-Q745 PolarHBondContact O-N 2.78Å; M743-Q761 VanDerWaalsContact C-OE1 3.29Å; M743-Q761 HydrophobicContact CE-CB 3.92Å; M743-Q761 WeakPolarHBondContact CE-O 3.33Å; M743-Q761 PolarHBondContact O-NE2 3.28Å; M743-Q761 PolarHBondContact O-OE1 3.46Å; M743-L762 HydrophobicContact CE-CD2 4.23Å; M743-M836 HydrophobicContact CB-CE 3.89Å; M743-M836 HydrophobicContact CE-CE 3.78Å; M743-M836 HydrophobicContact SD-CE 4.13Å; M743-S840 VanDerWaalsContact CE-CB 3.48Å |
| 744 | L | 84.1 | Confident | 81.2 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.9 | -18.5 | 177.8 | -65.4 | 174.3 | 0 | 0 | 0 | 113.3 | I613 C635 V637 M640 A740 Y741 K742 T746 M836 | I613-L744 HydrophobicContact CD1-CB 3.71Å; I613-L744 HydrophobicContact CD1-CD1 4.07Å; I613-L744 HydrophobicContact CG1-CB 4.21Å; I613-L744 HydrophobicContact CG2-CB 4.46Å; C635-L744 HydrophobicContact CB-CD2 3.76Å; V637-L744 HydrophobicContact CG2-CD1 4.06Å; M640-L744 HydrophobicContact CE-CD1 3.86Å; M640-L744 HydrophobicContact SD-CD1 4.41Å; A740-L744 WeakPolarHBondContact O-CG 3.32Å; A740-L744 PolarHBondContact O-N 3.02Å; Y741-L744 PolarHBondContact O-N 3.42Å; Y741-L744 VanDerWaalsContact O-N 3.11Å; K742-L744 VanDerWaalsContact C-N 3.34Å; L744-T746 VanDerWaalsContact C-N 3.27Å; L744-T746 PolarHBondContact O-N 2.91Å; L744-T746 VanDerWaalsContact O-N 3.1Å; L744-M836 HydrophobicContact CD2-CE 4.32Å |
| 745 | Q | 76.1 | Confident | 81 | Confident | 29 Ų | 29 | 47.2 Ų | 47.2 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | trans | -83.3 | 43.9 | -178.9 | -69 | -168.8 | -16.3 | 0 | 0 | 114.7 | S607 Y741 K742 M743 | S607-Q745 VanDerWaalsContact CB-NE2 3.27Å; S607-Q745 PolarHBondContact OG-NE2 2.88Å; Y741-Q745 HydrophobicContact CD1-CG 4.39Å; Y741-Q745 HydrophobicContact CE1-CG 4.22Å; Y741-Q745 WeakPolarHBondContact O-CG 3.36Å; Y741-Q745 PolarHBondContact O-N 3.1Å; K742-Q745 PolarHBondContact O-N 2.97Å; M743-Q745 PolarHBondContact O-N 2.78Å | ||
| 746 | T | 66.8 | Low | 81 | Confident | 48 Ų | 48 | 46.5 Ų | 46.5 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | trans | -70 | 152.3 | 175.9 | 44.2 | 0 | 0 | 0 | 0 | 113 | L744 G748 E757 Q761 | L744-T746 VanDerWaalsContact C-N 3.27Å; L744-T746 PolarHBondContact O-N 2.91Å; L744-T746 VanDerWaalsContact O-N 3.1Å; T746-G748 PolarHBondContact O-N 3.06Å; T746-E757 PolarHBondContact OG1-OE2 3.05Å; T746-Q761 VanDerWaalsContact CG2-CD 3.49Å; T746-Q761 HydrophobicContact CG2-CG 4.42Å | ||
| 747 | K | 58.3 | Low | 80.8 | Confident | 169 Ų | 169 | 46.1 Ų | 46.1 | 74% | 0.735 | 24% | 0.239 | S | C | * | . | trans | -69.9 | 76.2 | 166 | -67.1 | 178.8 | -177.4 | 174.7 | 0 | 107.6 | D749 | K747-D749 PolarHBondContact O-N 3.14Š| ||
| 748 | G | 61.9 | Low | 80.8 | Confident | 52 Ų | 52 | 46.3 Ų | 46.3 | 54% | 0.536 | 24% | 0.24 | S | C | . | . | trans | -43.3 | 128.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T746 | T746-G748 PolarHBondContact O-N 3.06Š| ||
| 749 | D | 69.7 | Low | 81 | Confident | 70 Ų | 70 | 47.5 Ų | 47.5 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | trans | -84.7 | 116 | 171.2 | -177.8 | -3.6 | 0 | 0 | 0 | 107.9 | K747 K751 R752 E757 | K747-D749 PolarHBondContact O-N 3.14Å; D749-K751 PolarHBondContact O-N 3.35Å; D749-K751 WeakPolarHBondContact OD1-CB 3.37Å; D749-K751 PolarHBondContact OD1-N 3.23Å; D749-R752 HydrophobicContact CB-CB 4.29Å; D749-R752 HydrophobicContact CB-CG 4.01Å; D749-R752 PolarHBondContact O-N 3.23Å; D749-E757 WeakPolarHBondContact CB-OE1 3.21Å; D749-E757 PolarHBondContact N-OE1 2.9Å | ||
| 750 | S | 70.9 | Confident | 81.1 | Confident | 110 Ų | 110 | 51.4 Ų | 51.4 | 77% | 0.769 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -11.4 | 177.5 | 54.7 | 0 | 0 | 0 | 0 | 114 | I619 | I619-S750 VanDerWaalsContact CD1-O 3.31Å; I619-S750 WeakPolarHBondContact CD1-O 2.95Å |
| 751 | K | 80.3 | Confident | 81.2 | Confident | 171 Ų | 171 | 53.3 Ų | 53.3 | 74% | 0.743 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -1.7 | 178.2 | -60.7 | 177.2 | 179.5 | 178.3 | 0 | 114.1 | I619 D749 | I619-K751 VanDerWaalsContact CD1-C 3.44Å; D749-K751 PolarHBondContact O-N 3.35Å; D749-K751 WeakPolarHBondContact OD1-CB 3.37Å; D749-K751 PolarHBondContact OD1-N 3.23Å |
| 752 | R | 82.5 | Confident | 81.6 | Confident | 76 Ų | 76 | 51.8 Ų | 51.8 | 29% | 0.287 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -122.4 | 155.4 | -174.7 | -61 | -173.8 | 65.1 | 178.2 | 0.2 | 112.4 | D749 E757 E760 | D749-R752 HydrophobicContact CB-CB 4.29Å; D749-R752 HydrophobicContact CB-CG 4.01Å; D749-R752 PolarHBondContact O-N 3.23Å; R752-E757 HydrophobicContact CB-CG 4.26Å; R752-E760 IonicContact CZ-OE1 3.37Å; R752-E760 IonicContact CZ-OE2 2.97Å; R752-E760 VanDerWaalsContact CZ-OE2 3.29Å; R752-E760 IonicContact NH1-OE1 2.73Å; R752-E760 IonicContact NH1-OE2 2.66Å; R752-E760 PolarHBondContact NH1-OE2 3.04Å; R752-E760 IonicContact NH2-OE1 2.71Å; R752-E760 PolarHBondContact NH2-OE1 2.9Å; R752-E760 IonicContact NH2-OE2 2.73Å; R752-E760 PolarHBondContact NH2-OE2 3.45Å |
| 753 | N | 86.1 | Confident | 82.1 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 6% | 0.059 | 27% | 0.27 | C | S | . | . | trans | -76.5 | 128.8 | 167 | -172.2 | -66 | 0 | 0 | 0 | 108.7 | I619 C621 L755 D756 E757 | I619-N753 HydrophobicContact CG2-CB 4.48Å; I619-N753 PolarHBondContact O-ND2 3.06Å; C621-N753 HydrophobicContact CB-CB 4.26Å; N753-L755 PolarHBondContact O-N 3.49Å; N753-L755 WeakPolarHBondContact OD1-CB 3.36Å; N753-L755 PolarHBondContact OD1-N 3.2Å; N753-D756 WeakPolarHBondContact CB-OD2 3.49Å; N753-D756 WeakPolarHBondContact O-CB 3.25Å; N753-D756 PolarHBondContact O-N 2.88Å; N753-E757 PolarHBondContact O-N 3.49Å | ||
| 754 | P | 84.4 | Confident | 82.6 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.7 | -28.7 | -178.4 | -31.5 | 41.7 | 0 | 0 | 0 | 114.7 | Q614 S617 D756 E757 H758 | Q614-P754 HydrophobicContact CB-CG 4.11Å; Q614-P754 WeakPolarHBondContact O-CB 3.3Å; Q614-P754 WeakPolarHBondContact O-CG 3.47Å; S617-P754 VanDerWaalsContact CB-CD 3.47Å; P754-D756 VanDerWaalsContact C-N 3.31Å; P754-D756 PolarHBondContact O-N 2.9Å; P754-E757 PolarHBondContact O-N 3.37Å; P754-H758 PolarHBondContact O-CD2 3.01Å; P754-H758 VanDerWaalsContact O-CG 3.24Å; P754-H758 PolarHBondContact O-N 3.36Å |
| 755 | L | 88 | Confident | 83.2 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -35.1 | 173.7 | -64.3 | 178.5 | 0 | 0 | 0 | 112.1 | Q628 L631 K632 N753 E757 H758 Y759 | Q628-L755 HydrophobicContact CB-CD1 4.36Å; L631-L755 HydrophobicContact CB-CD2 4.06Å; L631-L755 HydrophobicContact CD1-CB 4.39Å; K632-L755 HydrophobicContact CG-CD1 4.29Å; K632-L755 HydrophobicContact CG-CD2 4.34Å; N753-L755 PolarHBondContact O-N 3.49Å; N753-L755 WeakPolarHBondContact OD1-CB 3.36Å; N753-L755 PolarHBondContact OD1-N 3.2Å; L755-E757 VanDerWaalsContact C-N 3.32Å; L755-H758 PolarHBondContact O-N 3.05Å; L755-Y759 VanDerWaalsContact O-CB 3.29Å; L755-Y759 WeakPolarHBondContact O-CB 3.29Å; L755-Y759 PolarHBondContact O-N 3.49Å |
| 756 | D | 89.8 | Confident | 84.2 | Confident | 11 Ų | 11 | 55.6 Ų | 55.6 | 6% | 0.059 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 175.5 | -59 | -29.1 | 0 | 0 | 0 | 110.1 | C621 K622 N753 P754 E760 | C621-D756 PolarHBondContact SG-OD1 3.45Å; K622-D756 PolarHBondContact N-OD1 3.45Å; N753-D756 WeakPolarHBondContact CB-OD2 3.49Å; N753-D756 WeakPolarHBondContact O-CB 3.25Å; N753-D756 PolarHBondContact O-N 2.88Å; P754-D756 VanDerWaalsContact C-N 3.31Å; P754-D756 PolarHBondContact O-N 2.9Å; D756-E760 WeakPolarHBondContact O-CG 3.35Å; D756-E760 PolarHBondContact O-N 2.94Å; D756-E760 VanDerWaalsContact O-N 3.12Å |
| 757 | E | 87.5 | Confident | 85.6 | Confident | 19 Ų | 19 | 57 Ų | 57 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.5 | -44.9 | 176.3 | -64.1 | -175.3 | -175 | 0 | 0 | 112.3 | T746 D749 R752 N753 P754 L755 Y759 E760 Q761 | T746-E757 PolarHBondContact OG1-OE2 3.05Å; D749-E757 WeakPolarHBondContact CB-OE1 3.21Å; D749-E757 PolarHBondContact N-OE1 2.9Å; R752-E757 HydrophobicContact CB-CG 4.26Å; N753-E757 PolarHBondContact O-N 3.49Å; P754-E757 PolarHBondContact O-N 3.37Å; L755-E757 VanDerWaalsContact C-N 3.32Å; E757-Y759 VanDerWaalsContact C-N 3.3Å; E757-Y759 PolarHBondContact O-N 2.91Å; E757-E760 PolarHBondContact O-N 2.66Å; E757-Q761 WeakPolarHBondContact O-CG 3.33Å; E757-Q761 PolarHBondContact O-N 2.86Å |
| 758 | H | 88.7 | Confident | 87.4 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 2% | 0.023 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.3 | -36.6 | 177.6 | -63.7 | -35.2 | 0 | 0 | 0 | 111.8 | P754 L755 Q761 | P754-H758 PolarHBondContact O-CD2 3.01Å; P754-H758 VanDerWaalsContact O-CG 3.24Å; P754-H758 PolarHBondContact O-N 3.36Å; L755-H758 PolarHBondContact O-N 3.05Å; H758-Q761 PolarHBondContact O-N 3Å |
| 759 | Y | 92.7 | Very high | 89 | Confident | 39 Ų | 39 | 50.2 Ų | 50.2 | 15% | 0.153 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 174 | -178.1 | -106.7 | 0 | 0 | 0 | 112.4 | L623 L631 L755 E757 Q761 L762 L766 | L623-Y759 HydrophobicContact CD1-CD1 4.24Å; L623-Y759 HydrophobicContact CD1-CD2 4.24Å; L623-Y759 HydrophobicContact CD1-CG 3.79Å; L623-Y759 HydrophobicContact CD2-CD1 3.67Å; L623-Y759 HydrophobicContact CD2-CE1 3.88Å; L623-Y759 HydrophobicContact CD2-CG 4.03Å; L631-Y759 HydrophobicContact CD1-CD2 4.09Å; L631-Y759 HydrophobicContact CD1-CG 4.31Å; L631-Y759 HydrophobicContact CD2-CD2 4.3Å; L755-Y759 VanDerWaalsContact O-CB 3.29Å; L755-Y759 WeakPolarHBondContact O-CB 3.29Å; L755-Y759 PolarHBondContact O-N 3.49Å; E757-Y759 VanDerWaalsContact C-N 3.3Å; E757-Y759 PolarHBondContact O-N 2.91Å; Y759-Q761 VanDerWaalsContact C-N 3.25Å; Y759-Q761 PolarHBondContact O-N 3.01Å; Y759-L762 HydrophobicContact CD2-CD1 4.2Å; Y759-L762 VanDerWaalsContact O-CB 3.27Å; Y759-L762 WeakPolarHBondContact O-CB 3.47Å; Y759-L762 PolarHBondContact O-N 2.91Å; Y759-L766 HydrophobicContact CE2-CB 4.19Å; Y759-L766 HydrophobicContact CE2-CD1 4.36Å; Y759-L766 HydrophobicContact CE2-CG 4.42Å; Y759-L766 PolarHBondContact OH-N 3.03Å; Y759-L766 PolarHBondContact OH-O 3.47Å |
| 760 | E | 91.4 | Very high | 90.1 | Very high | 106 Ų | 106 | 51.4 Ų | 51.4 | 50% | 0.495 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60 | -36 | 177.7 | -78.5 | 175.5 | -179.4 | 0 | 0 | 112.7 | R752 D756 E757 L762 H763 | R752-E760 IonicContact CZ-OE1 3.37Å; R752-E760 IonicContact CZ-OE2 2.97Å; R752-E760 VanDerWaalsContact CZ-OE2 3.29Å; R752-E760 IonicContact NH1-OE1 2.73Å; R752-E760 IonicContact NH1-OE2 2.66Å; R752-E760 PolarHBondContact NH1-OE2 3.04Å; R752-E760 IonicContact NH2-OE1 2.71Å; R752-E760 PolarHBondContact NH2-OE1 2.9Å; R752-E760 IonicContact NH2-OE2 2.73Å; R752-E760 PolarHBondContact NH2-OE2 3.45Å; D756-E760 WeakPolarHBondContact O-CG 3.35Å; D756-E760 PolarHBondContact O-N 2.94Å; D756-E760 VanDerWaalsContact O-N 3.12Å; E757-E760 PolarHBondContact O-N 2.66Å; E760-L762 PolarHBondContact O-N 3.13Å; E760-H763 PolarHBondContact O-N 3.09Å |
| 761 | Q | 90.3 | Very high | 91.1 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.3 | -17.4 | 176.5 | -69 | -177.3 | 69.4 | 0 | 0 | 114.1 | M743 T746 E757 H758 Y759 H763 | M743-Q761 VanDerWaalsContact C-OE1 3.29Å; M743-Q761 HydrophobicContact CE-CB 3.92Å; M743-Q761 WeakPolarHBondContact CE-O 3.33Å; M743-Q761 PolarHBondContact O-NE2 3.28Å; M743-Q761 PolarHBondContact O-OE1 3.46Å; T746-Q761 VanDerWaalsContact CG2-CD 3.49Å; T746-Q761 HydrophobicContact CG2-CG 4.42Å; E757-Q761 WeakPolarHBondContact O-CG 3.33Å; E757-Q761 PolarHBondContact O-N 2.86Å; H758-Q761 PolarHBondContact O-N 3Å; Y759-Q761 VanDerWaalsContact C-N 3.25Å; Y759-Q761 PolarHBondContact O-N 3.01Å; Q761-H763 PolarHBondContact O-CD2 2.83Å; Q761-H763 PolarHBondContact O-N 3.24Å |
| 762 | L | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16.2 | 174 | -62.6 | -178.8 | 0 | 0 | 0 | 112.2 | L631 I634 M743 Y759 E760 T764 L766 M836 L839 S840 | L631-L762 HydrophobicContact CD2-CD1 3.8Å; I634-L762 HydrophobicContact CD1-CD1 4.28Å; M743-L762 HydrophobicContact CE-CD2 4.23Å; Y759-L762 HydrophobicContact CD2-CD1 4.2Å; Y759-L762 VanDerWaalsContact O-CB 3.27Å; Y759-L762 WeakPolarHBondContact O-CB 3.47Å; Y759-L762 PolarHBondContact O-N 2.91Å; E760-L762 PolarHBondContact O-N 3.13Å; L762-T764 WeakPolarHBondContact O-CB 3.45Å; L762-T764 PolarHBondContact O-N 2.98Å; L762-T764 PolarHBondContact O-OG1 2.8Å; L762-L766 HydrophobicContact CD1-CD1 4.41Å; L762-M836 HydrophobicContact CD2-CE 4.07Å; L762-M836 HydrophobicContact CD2-SD 3.52Å; L762-M836 VanDerWaalsContact CD2-SD 3.52Å; L762-L839 HydrophobicContact CD1-CD1 4.31Å; L762-L839 HydrophobicContact CD2-CB 4.19Å; L762-S840 VanDerWaalsContact O-CA 3.24Å; L762-S840 WeakPolarHBondContact O-CA 3.45Å |
| 763 | H | 94.9 | Very high | 92.3 | Very high | 110 Ų | 110 | 45.1 Ų | 45.1 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | trans | 46.2 | 37.1 | -177.2 | -62.4 | -66.8 | 0 | 0 | 0 | 112.5 | E760 Q761 D807 | E760-H763 PolarHBondContact O-N 3.09Å; Q761-H763 PolarHBondContact O-CD2 2.83Å; Q761-H763 PolarHBondContact O-N 3.24Å; H763-D807 HydrophobicContact CB-CB 4.43Å; H763-D807 IonicContact ND1-OD2 2.76Å; H763-D807 VanDerWaalsContact O-CG 3.31Å; H763-D807 PolarHBondContact O-N 3.15Å | ||
| 764 | T | 96.8 | Very high | 92.6 | Very high | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 122.9 | -170.3 | -60.1 | 0 | 0 | 0 | 0 | 109 | L762 L766 V804 H805 R806 L839 | L762-T764 WeakPolarHBondContact O-CB 3.45Å; L762-T764 PolarHBondContact O-N 2.98Å; L762-T764 PolarHBondContact O-OG1 2.8Å; T764-L766 HydrophobicContact CG2-CD2 3.87Å; T764-L766 HydrophobicContact CG2-CG 4.08Å; T764-V804 HydrophobicContact CG2-CG1 3.77Å; T764-H805 WeakPolarHBondContact CA-O 3.44Å; T764-R806 HydrophobicContact CG2-CG 3.77Å; T764-L839 HydrophobicContact CG2-CD2 4.48Å; T764-L839 PolarHBondContact OG1-O 3.17Å |
| 765 | K | 97 | Very high | 93.1 | Very high | 103 Ų | 103 | 52.5 Ų | 52.5 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 118.3 | 171.1 | -174.2 | -172.4 | -171 | -137.1 | 0 | 108.8 | E767 H805 | K765-E767 WeakPolarHBondContact CE-OE1 3.36Å; K765-E767 WeakPolarHBondContact CE-OE2 3.22Å; K765-E767 HydrophobicContact CG-CG 4.34Å; K765-E767 IonicContact NZ-OE1 3.6Å; K765-E767 PolarHBondContact NZ-OE1 3.12Å; K765-E767 IonicContact NZ-OE2 3.56Å; K765-E767 PolarHBondContact NZ-OE2 3.14Å; K765-H805 HydrophobicContact CB-CB 4.23Å; K765-H805 PolarHBondContact N-O 3.36Å; K765-H805 PolarHBondContact O-N 3.21Å |
| 766 | L | 97 | Very high | 93.5 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.4 | 175.2 | -62.7 | 173.5 | 0 | 0 | 0 | 109.4 | L627 L630 Y759 L762 T764 E803 V804 L839 | L627-L766 WeakPolarHBondContact CD1-O 3.44Å; L627-L766 HydrophobicContact CD2-CB 3.55Å; L627-L766 HydrophobicContact CD2-CD1 4.43Å; L630-L766 HydrophobicContact CD2-CD1 3.78Å; Y759-L766 HydrophobicContact CE2-CB 4.19Å; Y759-L766 HydrophobicContact CE2-CD1 4.36Å; Y759-L766 HydrophobicContact CE2-CG 4.42Å; Y759-L766 PolarHBondContact OH-N 3.03Å; Y759-L766 PolarHBondContact OH-O 3.47Å; L762-L766 HydrophobicContact CD1-CD1 4.41Å; T764-L766 HydrophobicContact CG2-CD2 3.87Å; T764-L766 HydrophobicContact CG2-CG 4.08Å; L766-E803 WeakPolarHBondContact CA-O 3.43Å; L766-V804 HydrophobicContact CD2-CB 4.21Å; L766-V804 HydrophobicContact CD2-CG1 4.09Å; L766-V804 HydrophobicContact CD2-CG2 3.76Å; L766-L839 HydrophobicContact CD1-CD1 4.23Å; L766-L839 HydrophobicContact CD2-CD2 4.3Å |
| 767 | E | 95.1 | Very high | 93.8 | Very high | 78 Ų | 78 | 59.5 Ų | 59.5 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.2 | 179.1 | -71.1 | -179.9 | 137.7 | 0 | 0 | 109.9 | K765 L769 F802 E803 | K765-E767 WeakPolarHBondContact CE-OE1 3.36Å; K765-E767 WeakPolarHBondContact CE-OE2 3.22Å; K765-E767 HydrophobicContact CG-CG 4.34Å; K765-E767 IonicContact NZ-OE1 3.6Å; K765-E767 PolarHBondContact NZ-OE1 3.12Å; K765-E767 IonicContact NZ-OE2 3.56Å; K765-E767 PolarHBondContact NZ-OE2 3.14Å; E767-L769 PolarHBondContact O-N 2.83Å; E767-F802 CarbonylContact O-C 3.46Å; E767-F802 VanDerWaalsContact O-CA 3.24Å; E767-F802 WeakPolarHBondContact O-CA 3.09Å; E767-E803 PolarHBondContact N-O 3.05Å; E767-E803 VanDerWaalsContact N-O 3.1Å; E767-E803 PolarHBondContact O-N 3.48Å |
| 768 | P | 95.8 | Very high | 94.2 | Very high | 52 Ų | 52 | 59.7 Ų | 59.7 | 34% | 0.338 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 125.6 | 172.6 | -22.3 | 32.1 | 0 | 0 | 0 | 110.4 | H624 A626 F802 | H624-P768 HydrophobicContact CB-CG 4.34Å; A626-P768 HydrophobicContact CB-CG 4.33Å; P768-F802 HydrophobicContact CG-CD1 4.25Å; P768-F802 HydrophobicContact CG-CE1 4.16Å |
| 769 | L | 95.9 | Very high | 94.6 | Very high | 27 Ų | 27 | 59.4 Ų | 59.4 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 130 | 179.9 | -170.8 | 67.3 | 0 | 0 | 0 | 109.5 | E767 S771 C773 D775 Y776 I779 I801 Y967 | E767-L769 PolarHBondContact O-N 2.83Å; L769-S771 PolarHBondContact O-N 3.23Å; L769-C773 VanDerWaalsContact CG-SG 3.59Å; L769-D775 HydrophobicContact CD2-CB 4.25Å; L769-Y776 HydrophobicContact CB-CD2 4.21Å; L769-Y776 HydrophobicContact CD2-CD2 4.13Å; L769-Y776 HydrophobicContact CG-CD2 4.21Å; L769-I779 HydrophobicContact CD2-CD1 4.07Å; L769-I801 HydrophobicContact CB-CB 4.13Å; L769-I801 HydrophobicContact CB-CG2 3.95Å; L769-I801 HydrophobicContact CD2-CB 4.32Å; L769-I801 HydrophobicContact CD2-CG2 3.63Å; L769-I801 HydrophobicContact CG-CG2 4.45Å; L769-I801 PolarHBondContact N-O 3.07Å; L769-Y967 HydrophobicContact CD1-CE1 4.31Å; L769-Y967 HydrophobicContact CD2-CD1 4.11Å; L769-Y967 HydrophobicContact CD2-CE1 4.09Å |
| 770 | D | 93.7 | Very high | 94.8 | Very high | 94 Ų | 94 | 60.5 Ų | 60.5 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 126.5 | 177.9 | -177.5 | -4.8 | 0 | 0 | 0 | 110.3 | N772 C773 Y776 | D770-N772 PolarHBondContact O-N 2.8Å; D770-N772 VanDerWaalsContact O-N 3.12Å; D770-N772 PolarHBondContact OD1-N 3.48Å; D770-N772 PolarHBondContact OD1-ND2 3.19Å; D770-N772 VanDerWaalsContact OD1-ND2 3.09Å; D770-C773 PolarHBondContact O-N 3.3Å; D770-C773 PolarHBondContact O-SG 3.46Å; D770-Y776 WeakPolarHBondContact O-CB 2.96Å |
| 771 | S | 92.4 | Very high | 95.1 | Very high | 68 Ų | 68 | 58 Ų | 58 | 48% | 0.476 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.1 | -179.7 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | L769 | L769-S771 PolarHBondContact O-N 3.23Š|
| 772 | N | 93.4 | Very high | 95.4 | Very high | 121 Ų | 121 | 56.2 Ų | 56.2 | 65% | 0.647 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -14.9 | 176.6 | -61.2 | -60.2 | 0 | 0 | 0 | 113.6 | D770 | D770-N772 PolarHBondContact O-N 2.8Å; D770-N772 VanDerWaalsContact O-N 3.12Å; D770-N772 PolarHBondContact OD1-N 3.48Å; D770-N772 PolarHBondContact OD1-ND2 3.19Å; D770-N772 VanDerWaalsContact OD1-ND2 3.09Å |
| 773 | C | 93.2 | Very high | 95.6 | Very high | 36 Ų | 36 | 56.5 Ų | 56.5 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -73.3 | 153.7 | -176.3 | 86.8 | 0 | 0 | 0 | 0 | 111.8 | L769 D770 D775 Y776 K777 | L769-C773 VanDerWaalsContact CG-SG 3.59Å; D770-C773 PolarHBondContact O-N 3.3Å; D770-C773 PolarHBondContact O-SG 3.46Å; C773-D775 PolarHBondContact O-N 2.91Å; C773-Y776 PolarHBondContact O-N 3.16Å; C773-Y776 PolarHBondContact SG-N 3.01Å; C773-K777 PolarHBondContact O-N 3.26Å |
| 774 | E | 93.6 | Very high | 95.6 | Very high | 134 Ų | 134 | 58.2 Ų | 58.2 | 63% | 0.626 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.7 | -43.9 | -178.8 | -174.5 | 175.9 | -173.3 | 0 | 0 | 111.7 | Y776 K777 L778 H927 | E774-Y776 VanDerWaalsContact C-N 3.27Å; E774-Y776 PolarHBondContact O-N 3.42Å; E774-K777 PolarHBondContact O-N 3.21Å; E774-K777 VanDerWaalsContact O-N 3.13Å; E774-L778 HydrophobicContact CG-CD1 3.99Å; E774-L778 HydrophobicContact CG-CG 4.35Å; E774-L778 WeakPolarHBondContact O-CG 3.48Å; E774-L778 PolarHBondContact O-N 2.78Å; E774-H927 IonicContact OE1-CE1 3.9Å |
| 775 | D | 94.2 | Very high | 95.6 | Very high | 46 Ų | 46 | 60 Ų | 60 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.4 | -38.7 | 177.5 | -77.2 | -32.5 | 0 | 0 | 0 | 112.3 | L769 C773 K777 L778 I779 Y935 Y967 | L769-D775 HydrophobicContact CD2-CB 4.25Å; C773-D775 PolarHBondContact O-N 2.91Å; D775-K777 VanDerWaalsContact C-N 3.33Å; D775-K777 PolarHBondContact O-N 2.92Å; D775-L778 PolarHBondContact O-N 3.03Å; D775-I779 WeakPolarHBondContact O-CB 3.35Å; D775-I779 WeakPolarHBondContact O-CD1 3.44Å; D775-I779 WeakPolarHBondContact O-CG1 3.36Å; D775-I779 PolarHBondContact O-N 3.18Å; D775-Y935 PolarHBondContact OD1-OH 2.76Å; D775-Y967 HydrophobicContact CB-CE1 4.39Å; D775-Y967 PolarHBondContact OD2-OH 2.98Å |
| 776 | Y | 96.4 | Very high | 95.6 | Very high | 42 Ų | 42 | 55 Ų | 55 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 178.7 | -170.1 | -83.1 | 0 | 0 | 0 | 110.9 | L769 D770 C773 E774 I779 L780 I801 | L769-Y776 HydrophobicContact CB-CD2 4.21Å; L769-Y776 HydrophobicContact CD2-CD2 4.13Å; L769-Y776 HydrophobicContact CG-CD2 4.21Å; D770-Y776 WeakPolarHBondContact O-CB 2.96Å; C773-Y776 PolarHBondContact O-N 3.16Å; C773-Y776 PolarHBondContact SG-N 3.01Å; E774-Y776 VanDerWaalsContact C-N 3.27Å; E774-Y776 PolarHBondContact O-N 3.42Å; Y776-I779 PolarHBondContact O-N 2.64Å; Y776-L780 HydrophobicContact CD1-CD1 3.96Å; Y776-L780 HydrophobicContact CD1-CG 4.2Å; Y776-L780 HydrophobicContact CE1-CD1 3.63Å; Y776-L780 HydrophobicContact CE1-CD2 4.43Å; Y776-L780 HydrophobicContact CE1-CG 4.02Å; Y776-L780 WeakPolarHBondContact O-CG 3.35Å; Y776-L780 PolarHBondContact O-N 3.02Å; Y776-L780 VanDerWaalsContact O-N 3.09Å; Y776-I801 HydrophobicContact CD2-CB 4.23Å; Y776-I801 HydrophobicContact CD2-CD1 3.74Å; Y776-I801 HydrophobicContact CD2-CG1 4.37Å; Y776-I801 HydrophobicContact CE2-CB 4.14Å; Y776-I801 HydrophobicContact CE2-CD1 3.78Å; Y776-I801 HydrophobicContact CE2-CG1 4.11Å; Y776-I801 HydrophobicContact CG-CD1 4.14Å |
| 777 | K | 95.9 | Very high | 95.5 | Very high | 121 Ų | 121 | 57.2 Ų | 57.2 | 53% | 0.526 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 177.7 | -63.8 | 175.8 | -175 | 169.4 | 0 | 111.4 | C773 E774 D775 I779 L780 D781 | C773-K777 PolarHBondContact O-N 3.26Å; E774-K777 PolarHBondContact O-N 3.21Å; E774-K777 VanDerWaalsContact O-N 3.13Å; D775-K777 VanDerWaalsContact C-N 3.33Å; D775-K777 PolarHBondContact O-N 2.92Å; K777-I779 VanDerWaalsContact C-N 3.31Å; K777-I779 PolarHBondContact O-N 2.81Å; K777-L780 PolarHBondContact O-N 3.19Å; K777-D781 PolarHBondContact O-N 3.25Å |
| 778 | L | 96.3 | Very high | 95.4 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 176.8 | -71.8 | 172.3 | 0 | 0 | 0 | 111.9 | E774 D775 D781 Y782 Y935 I937 | E774-L778 HydrophobicContact CG-CD1 3.99Å; E774-L778 HydrophobicContact CG-CG 4.35Å; E774-L778 WeakPolarHBondContact O-CG 3.48Å; E774-L778 PolarHBondContact O-N 2.78Å; D775-L778 PolarHBondContact O-N 3.03Å; L778-D781 PolarHBondContact O-N 3.42Å; L778-Y782 VanDerWaalsContact O-CB 3.31Å; L778-Y782 WeakPolarHBondContact O-CB 3.38Å; L778-Y782 PolarHBondContact O-N 3.21Å; L778-Y935 HydrophobicContact CB-CD1 4.47Å; L778-Y935 HydrophobicContact CB-CE1 4.5Å; L778-Y935 HydrophobicContact CD1-CE1 4.44Å; L778-I937 HydrophobicContact CB-CD1 4.15Å; L778-I937 HydrophobicContact CD2-CD1 3.96Å; L778-I937 WeakPolarHBondContact O-CD1 3.23Å |
| 779 | I | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.1 | -41.3 | 177.5 | -67.1 | 163.9 | 0 | 0 | 0 | 111 | L769 D775 Y776 K777 D781 Y782 V783 I801 W827 L887 Y967 V969 | L769-I779 HydrophobicContact CD2-CD1 4.07Å; D775-I779 WeakPolarHBondContact O-CB 3.35Å; D775-I779 WeakPolarHBondContact O-CD1 3.44Å; D775-I779 WeakPolarHBondContact O-CG1 3.36Å; D775-I779 PolarHBondContact O-N 3.18Å; Y776-I779 PolarHBondContact O-N 2.64Å; K777-I779 VanDerWaalsContact C-N 3.31Å; K777-I779 PolarHBondContact O-N 2.81Å; I779-D781 VanDerWaalsContact C-N 3.32Å; I779-D781 PolarHBondContact O-N 2.65Å; I779-Y782 PolarHBondContact O-N 2.89Å; I779-V783 WeakPolarHBondContact O-CG2 3.42Å; I779-V783 PolarHBondContact O-N 2.84Å; I779-I801 HydrophobicContact CB-CD1 3.86Å; I779-I801 HydrophobicContact CD1-CD1 4.35Å; I779-I801 HydrophobicContact CD1-CG2 3.92Å; I779-I801 HydrophobicContact CG2-CD1 3.55Å; I779-I801 HydrophobicContact CG2-CG1 4.28Å; I779-W827 HydrophobicContact CG2-CH2 4.22Å; I779-L887 HydrophobicContact CD1-CD1 4.22Å; I779-L887 HydrophobicContact CG1-CD1 3.8Å; I779-L887 HydrophobicContact CG2-CD1 4.02Å; I779-Y967 HydrophobicContact CD1-CD1 3.88Å; I779-Y967 HydrophobicContact CD1-CD2 3.65Å; I779-Y967 HydrophobicContact CD1-CE1 4.25Å; I779-Y967 HydrophobicContact CD1-CE2 4.04Å; I779-Y967 HydrophobicContact CD1-CG 3.58Å; I779-V969 HydrophobicContact CG2-CG2 3.92Å |
| 780 | L | 97.3 | Very high | 94.8 | Very high | 62 Ų | 62 | 58.1 Ų | 58.1 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 173.8 | -71.4 | -175.3 | 0 | 0 | 0 | 111.8 | Y776 K777 V783 R784 V798 | Y776-L780 HydrophobicContact CD1-CD1 3.96Å; Y776-L780 HydrophobicContact CD1-CG 4.2Å; Y776-L780 HydrophobicContact CE1-CD1 3.63Å; Y776-L780 HydrophobicContact CE1-CD2 4.43Å; Y776-L780 HydrophobicContact CE1-CG 4.02Å; Y776-L780 WeakPolarHBondContact O-CG 3.35Å; Y776-L780 PolarHBondContact O-N 3.02Å; Y776-L780 VanDerWaalsContact O-N 3.09Å; K777-L780 PolarHBondContact O-N 3.19Å; L780-V783 PolarHBondContact O-N 2.63Å; L780-R784 WeakPolarHBondContact O-CB 3.26Å; L780-R784 PolarHBondContact O-N 3.29Å; L780-V798 HydrophobicContact CD2-CB 3.64Å; L780-V798 HydrophobicContact CD2-CG1 3.9Å; L780-V798 HydrophobicContact CD2-CG2 3.82Å |
| 781 | D | 96.3 | Very high | 94.7 | Very high | 54 Ų | 54 | 55.2 Ų | 55.2 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 175.8 | -69.6 | -19.4 | 0 | 0 | 0 | 110.8 | K777 L778 I779 V783 R784 E785 I937 | K777-D781 PolarHBondContact O-N 3.25Å; L778-D781 PolarHBondContact O-N 3.42Å; I779-D781 VanDerWaalsContact C-N 3.32Å; I779-D781 PolarHBondContact O-N 2.65Å; D781-V783 PolarHBondContact O-N 3.19Å; D781-R784 PolarHBondContact O-N 3.17Å; D781-R784 VanDerWaalsContact O-N 3.17Å; D781-R784 IonicContact OD1-CZ 3.9Å; D781-R784 IonicContact OD1-NH1 3.31Å; D781-R784 PolarHBondContact OD1-NH1 2.98Å; D781-R784 IonicContact OD1-NH2 3.43Å; D781-R784 PolarHBondContact OD1-NH2 2.72Å; D781-E785 WeakPolarHBondContact O-CB 3.47Å; D781-E785 VanDerWaalsContact O-CG 3.29Å; D781-E785 WeakPolarHBondContact O-CG 3.42Å; D781-E785 PolarHBondContact O-N 3.26Å; D781-I937 HydrophobicContact CB-CG2 4.37Å |
| 782 | Y | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 177.1 | -162.2 | -179.3 | 0 | 0 | 0 | 111.8 | L778 I779 T786 L825 W827 D865 L887 P936 I937 | L778-Y782 VanDerWaalsContact O-CB 3.31Å; L778-Y782 WeakPolarHBondContact O-CB 3.38Å; L778-Y782 PolarHBondContact O-N 3.21Å; I779-Y782 PolarHBondContact O-N 2.89Å; Y782-T786 HydrophobicContact CD2-CG2 3.54Å; Y782-T786 HydrophobicContact CE2-CG2 3.67Å; Y782-T786 WeakPolarHBondContact O-CB 3.31Å; Y782-T786 PolarHBondContact O-N 3.33Å; Y782-T786 PolarHBondContact O-OG1 3.02Å; Y782-L825 WeakPolarHBondContact CE1-O 3.46Å; Y782-L825 PolarHBondContact OH-O 3.39Å; Y782-W827 AromaticContact CD1-CE2 3.84Å; Y782-W827 AromaticContact CD1-CZ2 3.67Å; Y782-W827 HydrophobicContact CD1-CZ2 3.67Å; Y782-W827 AromaticContact CD1-NE1 3.69Å; Y782-W827 HydrophobicContact CD2-CZ2 4.36Å; Y782-W827 AromaticContact CD2-NE1 3.52Å; Y782-W827 AromaticContact CE1-CE2 3.87Å; Y782-W827 HydrophobicContact CE1-CZ2 4.17Å; Y782-W827 AromaticContact CE1-NE1 3.43Å; Y782-W827 AromaticContact CE2-CD1 3.89Å; Y782-W827 AromaticContact CE2-NE1 3.21Å; Y782-W827 AromaticContact CG-CZ2 3.76Å; Y782-W827 HydrophobicContact CG-CZ2 3.76Å; Y782-W827 AromaticContact CG-NE1 3.73Å; Y782-W827 AromaticContact CZ-CD1 3.62Å; Y782-W827 AromaticContact CZ-NE1 3.15Å; Y782-D865 WeakPolarHBondContact CE2-O 3.43Å; Y782-L887 HydrophobicContact CD1-CD2 4.02Å; Y782-L887 HydrophobicContact CE1-CD2 3.63Å; Y782-P936 HydrophobicContact CE2-CG 4.25Å; Y782-P936 WeakPolarHBondContact CE2-O 3.37Å; Y782-P936 WeakPolarHBondContact OH-CD 3.48Å; Y782-P936 WeakPolarHBondContact OH-CG 3.21Å; Y782-I937 HydrophobicContact CD1-CG1 4.26Å; Y782-I937 HydrophobicContact CD2-CG1 3.96Å; Y782-I937 HydrophobicContact CG-CG1 3.75Å |
| 783 | V | 97.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -43.8 | 175.3 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | I779 L780 D781 L796 V798 W827 V867 | I779-V783 WeakPolarHBondContact O-CG2 3.42Å; I779-V783 PolarHBondContact O-N 2.84Å; L780-V783 PolarHBondContact O-N 2.63Å; D781-V783 PolarHBondContact O-N 3.19Å; V783-L796 HydrophobicContact CG1-CB 4.15Å; V783-L796 HydrophobicContact CG1-CD1 4.44Å; V783-V798 HydrophobicContact CB-CG2 4.13Å; V783-V798 HydrophobicContact CG1-CG2 3.96Å; V783-V798 HydrophobicContact CG2-CG2 3.9Å; V783-W827 HydrophobicContact CG2-CH2 3.53Å; V783-W827 HydrophobicContact CG2-CZ2 3.77Å; V783-V867 HydrophobicContact CG1-CG1 4.48Å; V783-V867 HydrophobicContact CG2-CG2 4.28Å; V783-V867 WeakPolarHBondContact O-CG1 3.49Å |
| 784 | R | 95.5 | Very high | 94.9 | Very high | 146 Ų | 146 | 55.2 Ų | 55.2 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -69 | -47.9 | -177.5 | -174.6 | -178.8 | 66.9 | -118.9 | -4.9 | 112.6 | L780 D781 | L780-R784 WeakPolarHBondContact O-CB 3.26Å; L780-R784 PolarHBondContact O-N 3.29Å; D781-R784 PolarHBondContact O-N 3.17Å; D781-R784 VanDerWaalsContact O-N 3.17Å; D781-R784 IonicContact OD1-CZ 3.9Å; D781-R784 IonicContact OD1-NH1 3.31Å; D781-R784 PolarHBondContact OD1-NH1 2.98Å; D781-R784 IonicContact OD1-NH2 3.43Å; D781-R784 PolarHBondContact OD1-NH2 2.72Å |
| 785 | E | 96.3 | Very high | 95 | Very high | 44 Ų | 44 | 52.2 Ų | 52.2 | 21% | 0.206 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -78 | -25.5 | -171.7 | -60.3 | -53.3 | 139.7 | 0 | 0 | 112.3 | D781 I937 K939 P940 | D781-E785 WeakPolarHBondContact O-CB 3.47Å; D781-E785 VanDerWaalsContact O-CG 3.29Å; D781-E785 WeakPolarHBondContact O-CG 3.42Å; D781-E785 PolarHBondContact O-N 3.26Å; E785-I937 HydrophobicContact CB-CG2 4.39Å; E785-I937 HydrophobicContact CG-CG2 4.36Å; E785-K939 WeakPolarHBondContact OE2-CE 3.16Å; E785-K939 VanDerWaalsContact OE2-CG 3.29Å; E785-K939 WeakPolarHBondContact OE2-CG 3.47Å; E785-P940 WeakPolarHBondContact O-CD 3.42Å |
| 786 | T | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 26.2 | -174.9 | 70.3 | 0 | 0 | 0 | 0 | 114.7 | Y782 G788 I866 V867 G938 | Y782-T786 HydrophobicContact CD2-CG2 3.54Å; Y782-T786 HydrophobicContact CE2-CG2 3.67Å; Y782-T786 WeakPolarHBondContact O-CB 3.31Å; Y782-T786 PolarHBondContact O-N 3.33Å; Y782-T786 PolarHBondContact O-OG1 3.02Å; T786-G788 PolarHBondContact O-N 3Å; T786-I866 VanDerWaalsContact O-CG2 3.27Å; T786-I866 WeakPolarHBondContact O-CG2 3.46Å; T786-V867 PolarHBondContact O-N 2.99Å; T786-V867 PolarHBondContact OG1-N 3.09Å; T786-G938 WeakPolarHBondContact CG2-O 3.41Å |
| 787 | H | 95.8 | Very high | 95.3 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 22% | 0.222 | 28% | 0.278 | C | S | . | . | trans | -79.5 | 115.3 | 170.6 | -159.3 | 105.9 | 0 | 0 | 0 | 110.4 | H791 Y794 | H787-H791 PolarHBondContact NE2-O 3.47Å; H787-Y794 AromaticContact CE1-CD2 3.84Å; H787-Y794 AromaticContact CE1-CE2 3.61Å; H787-Y794 PolarHBondContact CE1-O 2.99Å; H787-Y794 PolarHBondContact NE2-O 3.18Å | ||
| 788 | G | 91.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | trans | -69.2 | 136.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T786 T790 H791 S868 Y952 | T786-G788 PolarHBondContact O-N 3Å; G788-T790 PolarHBondContact O-N 3.49Å; G788-T790 VanDerWaalsContact O-N 3.07Å; G788-H791 PolarHBondContact O-N 3.02Å; G788-S868 PolarHBondContact N-OG 3.03Å; G788-Y952 WeakPolarHBondContact CA-OH 3.46Å | ||
| 789 | A | 89.7 | Confident | 95.3 | Very high | 86 Ų | 86 | 50.2 Ų | 50.2 | 71% | 0.711 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T792 Y952 | A789-T792 WeakPolarHBondContact O-CG2 3.19Å; A789-Y952 PolarHBondContact N-OH 3.28Å |
| 790 | T | 89.8 | Confident | 95.2 | Very high | 89 Ų | 89 | 52.7 Ų | 52.7 | 55% | 0.546 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -11.3 | 176.1 | 66.4 | 0 | 0 | 0 | 0 | 113.6 | G788 T792 Y952 | G788-T790 PolarHBondContact O-N 3.49Å; G788-T790 VanDerWaalsContact O-N 3.07Å; T790-T792 PolarHBondContact O-N 3.45Å; T790-Y952 PolarHBondContact N-OH 3.29Å; T790-Y952 WeakPolarHBondContact OG1-CE2 3.27Å; T790-Y952 PolarHBondContact OG1-OH 3.49Å |
| 791 | H | 92.2 | Very high | 95.2 | Very high | 33 Ų | 33 | 50 Ų | 50 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | trans | -99.6 | 54.7 | -177.7 | -57.3 | 144.9 | 0 | 0 | 0 | 111.1 | H787 G788 Q793 S868 N872 Y952 | H787-H791 PolarHBondContact NE2-O 3.47Å; G788-H791 PolarHBondContact O-N 3.02Å; H791-Q793 VanDerWaalsContact C-N 3.32Å; H791-Q793 PolarHBondContact O-N 2.85Å; H791-S868 WeakPolarHBondContact ND1-CB 3.24Å; H791-S868 PolarHBondContact ND1-OG 3.37Å; H791-N872 PolarHBondContact CD2-ND2 3.27Å; H791-N872 PolarHBondContact CE1-ND2 3.42Å; H791-N872 PolarHBondContact NE2-ND2 2.8Å; H791-Y952 AromaticContact CE1-CE2 3.44Å; H791-Y952 VanDerWaalsContact CE1-CE2 3.44Å; H791-Y952 WeakPolarHBondContact CE1-CE2 3.18Å; H791-Y952 AromaticContact NE2-CE2 3.8Å | ||
| 792 | T | 92.4 | Very high | 95.3 | Very high | 80 Ų | 80 | 47.4 Ų | 47.4 | 49% | 0.491 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -9.1 | -171.2 | 56.8 | 0 | 0 | 0 | 0 | 114.9 | A789 T790 Y794 K976 | A789-T792 WeakPolarHBondContact O-CG2 3.19Å; T790-T792 PolarHBondContact O-N 3.45Å; T792-Y794 VanDerWaalsContact C-N 3.25Å; T792-Y794 PolarHBondContact O-N 2.78Å; T792-K976 VanDerWaalsContact O-CD 3.3Å; T792-K976 WeakPolarHBondContact O-CD 3.37Å; T792-K976 VanDerWaalsContact O-CE 3.25Å; T792-K976 WeakPolarHBondContact O-CE 3.24Å; T792-K976 PolarHBondContact O-NZ 2.8Å |
| 793 | Q | 93.4 | Very high | 95.3 | Very high | 135 Ų | 135 | 49.5 Ų | 49.5 | 63% | 0.631 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -19 | -173.5 | -59.2 | -69.4 | 14 | 0 | 0 | 113.6 | H791 Y975 K976 | H791-Q793 VanDerWaalsContact C-N 3.32Å; H791-Q793 PolarHBondContact O-N 2.85Å; Q793-Y975 WeakPolarHBondContact O-CA 3.31Å; Q793-K976 PolarHBondContact O-N 2.81Å |
| 794 | Y | 96.6 | Very high | 95.3 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 160.2 | 179 | 60.5 | -94.5 | 0 | 0 | 0 | 111.6 | H787 T792 L796 S868 A871 N872 F973 H974 Y975 | H787-Y794 AromaticContact CE1-CD2 3.84Å; H787-Y794 AromaticContact CE1-CE2 3.61Å; H787-Y794 PolarHBondContact CE1-O 2.99Å; H787-Y794 PolarHBondContact NE2-O 3.18Å; T792-Y794 VanDerWaalsContact C-N 3.25Å; T792-Y794 PolarHBondContact O-N 2.78Å; Y794-L796 HydrophobicContact CD2-CD2 3.92Å; Y794-L796 HydrophobicContact CD2-CG 4.2Å; Y794-L796 HydrophobicContact CE2-CD1 4.47Å; Y794-L796 HydrophobicContact CE2-CD2 3.86Å; Y794-L796 HydrophobicContact CE2-CG 4.06Å; Y794-S868 PolarHBondContact OH-O 2.8Å; Y794-A871 HydrophobicContact CE2-CB 4.37Å; Y794-N872 WeakPolarHBondContact CE1-OD1 3.36Å; Y794-N872 PolarHBondContact OH-OD1 3.3Å; Y794-N872 VanDerWaalsContact OH-OD1 3.04Å; Y794-F973 HydrophobicContact CD1-CD1 4.17Å; Y794-F973 AromaticContact CD2-CD1 3.43Å; Y794-F973 HydrophobicContact CD2-CD1 3.43Å; Y794-F973 VanDerWaalsContact CD2-CD1 3.43Å; Y794-F973 AromaticContact CD2-CE1 3.88Å; Y794-F973 HydrophobicContact CD2-CE1 3.88Å; Y794-F973 HydrophobicContact CD2-CG 4.42Å; Y794-F973 HydrophobicContact CE1-CD1 4.37Å; Y794-F973 HydrophobicContact CE1-CE1 4.33Å; Y794-F973 AromaticContact CE2-CD1 3.68Å; Y794-F973 HydrophobicContact CE2-CD1 3.68Å; Y794-F973 AromaticContact CE2-CE1 3.59Å; Y794-F973 HydrophobicContact CE2-CE1 3.59Å; Y794-F973 AromaticContact CG-CD1 3.72Å; Y794-F973 HydrophobicContact CG-CD1 3.72Å; Y794-F973 HydrophobicContact CG-CE1 4.39Å; Y794-F973 AromaticContact CZ-CE1 3.84Å; Y794-H974 CarbonylContact C-O 3.54Å; Y794-H974 WeakPolarHBondContact CA-O 3.38Å; Y794-Y975 HydrophobicContact CD1-CE1 4.24Å |
| 795 | T | 96.8 | Very high | 95.4 | Very high | 71 Ų | 71 | 44.6 Ų | 44.6 | 44% | 0.436 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 162.5 | 161.9 | 63.3 | 0 | 0 | 0 | 0 | 110.2 | F973 H974 | T795-F973 WeakPolarHBondContact O-CA 3.4Å; T795-H974 PolarHBondContact N-O 2.9Å; T795-H974 PolarHBondContact O-N 2.62Å |
| 796 | L | 97.8 | Very high | 95.5 | Very high | 28 Ų | 28 | 43.5 Ų | 43.5 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.6 | -179.2 | -63.5 | 175.7 | 0 | 0 | 0 | 110.6 | V783 Y794 V867 A871 V971 F973 | V783-L796 HydrophobicContact CG1-CB 4.15Å; V783-L796 HydrophobicContact CG1-CD1 4.44Å; Y794-L796 HydrophobicContact CD2-CD2 3.92Å; Y794-L796 HydrophobicContact CD2-CG 4.2Å; Y794-L796 HydrophobicContact CE2-CD1 4.47Å; Y794-L796 HydrophobicContact CE2-CD2 3.86Å; Y794-L796 HydrophobicContact CE2-CG 4.06Å; L796-V867 HydrophobicContact CD1-CG1 4.13Å; L796-V867 HydrophobicContact CD1-CG2 4.1Å; L796-A871 HydrophobicContact CD1-CB 3.98Å; L796-A871 HydrophobicContact CD2-CB 4.4Å; L796-V971 HydrophobicContact CD2-CG2 4.26Å; L796-F973 HydrophobicContact CD2-CD1 3.7Å; L796-F973 HydrophobicContact CD2-CD2 3.96Å; L796-F973 HydrophobicContact CD2-CE1 3.67Å; L796-F973 HydrophobicContact CD2-CE2 3.94Å; L796-F973 HydrophobicContact CD2-CG 3.85Å; L796-F973 HydrophobicContact CD2-CZ 3.8Å |
| 797 | E | 97.6 | Very high | 95.4 | Very high | 87 Ų | 87 | 48.8 Ų | 48.8 | 41% | 0.407 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.4 | 168.8 | 176.4 | -172 | -176.6 | 0 | 0 | 108.6 | L799 V971 K972 H974 | E797-L799 HydrophobicContact CG-CD2 4.32Å; E797-L799 PolarHBondContact O-N 2.95Å; E797-V971 CarbonylContact O-C 3.45Å; E797-V971 WeakPolarHBondContact O-CA 3.4Å; E797-K972 HydrophobicContact CB-CB 4.36Å; E797-K972 PolarHBondContact N-O 2.78Å; E797-K972 PolarHBondContact O-N 3.42Å; E797-H974 IonicContact OE2-CD2 3.16Å; E797-H974 IonicContact OE2-CE1 2.65Å; E797-H974 PolarHBondContact OE2-CE1 2.83Å; E797-H974 IonicContact OE2-NE2 2.76Å; E797-H974 PolarHBondContact OE2-NE2 3.27Å |
| 798 | V | 97.5 | Very high | 95.4 | Very high | 26 Ų | 26 | 49.1 Ų | 49.1 | 16% | 0.158 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 119.1 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | L780 V783 I801 V969 V971 | L780-V798 HydrophobicContact CD2-CB 3.64Å; L780-V798 HydrophobicContact CD2-CG1 3.9Å; L780-V798 HydrophobicContact CD2-CG2 3.82Å; V783-V798 HydrophobicContact CB-CG2 4.13Å; V783-V798 HydrophobicContact CG1-CG2 3.96Å; V783-V798 HydrophobicContact CG2-CG2 3.9Å; V798-I801 HydrophobicContact CG1-CD1 4.11Å; V798-I801 HydrophobicContact CG1-CG1 3.78Å; V798-V969 HydrophobicContact CG1-CG1 3.86Å; V798-V969 HydrophobicContact CG2-CG1 4.19Å; V798-V971 HydrophobicContact CG2-CG1 4.29Å |
| 799 | L | 95.8 | Very high | 95.7 | Very high | 48 Ų | 48 | 49.2 Ų | 49.2 | 25% | 0.251 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -48.4 | 179.4 | -60.2 | -178.3 | 0 | 0 | 0 | 111.7 | E797 E882 R970 K972 | E797-L799 HydrophobicContact CG-CD2 4.32Å; E797-L799 PolarHBondContact O-N 2.95Å; L799-E882 HydrophobicContact CD1-CG 4.12Å; L799-R970 HydrophobicContact CB-CB 4.48Å; L799-R970 HydrophobicContact CB-CG 4.39Å; L799-R970 HydrophobicContact CD1-CG 4.24Å; L799-R970 PolarHBondContact N-O 2.95Å; L799-K972 HydrophobicContact CD1-CB 4.07Å; L799-K972 HydrophobicContact CD2-CB 4.05Å; L799-K972 HydrophobicContact CG-CB 4.11Å |
| 800 | N | 95.2 | Very high | 95.9 | Very high | 53 Ų | 53 | 48.7 Ų | 48.7 | 28% | 0.283 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 150.8 | 179.9 | -63.1 | 112.3 | 0 | 0 | 0 | 110.3 | F802 R970 | N800-F802 HydrophobicContact CB-CD2 4.43Å; N800-F802 HydrophobicContact CB-CE2 3.65Å; N800-F802 HydrophobicContact CB-CZ 3.88Å; N800-R970 HydrophobicContact CB-CB 4.42Å; N800-R970 PolarHBondContact N-O 3.09Å; N800-R970 PolarHBondContact O-N 3.12Å |
| 801 | I | 97.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.7 | 170 | -58.3 | 170.2 | 0 | 0 | 0 | 107.2 | L769 Y776 I779 V798 Y967 V969 | L769-I801 HydrophobicContact CB-CB 4.13Å; L769-I801 HydrophobicContact CB-CG2 3.95Å; L769-I801 HydrophobicContact CD2-CB 4.32Å; L769-I801 HydrophobicContact CD2-CG2 3.63Å; L769-I801 HydrophobicContact CG-CG2 4.45Å; L769-I801 PolarHBondContact N-O 3.07Å; Y776-I801 HydrophobicContact CD2-CB 4.23Å; Y776-I801 HydrophobicContact CD2-CD1 3.74Å; Y776-I801 HydrophobicContact CD2-CG1 4.37Å; Y776-I801 HydrophobicContact CE2-CB 4.14Å; Y776-I801 HydrophobicContact CE2-CD1 3.78Å; Y776-I801 HydrophobicContact CE2-CG1 4.11Å; Y776-I801 HydrophobicContact CG-CD1 4.14Å; I779-I801 HydrophobicContact CB-CD1 3.86Å; I779-I801 HydrophobicContact CD1-CD1 4.35Å; I779-I801 HydrophobicContact CD1-CG2 3.92Å; I779-I801 HydrophobicContact CG2-CD1 3.55Å; I779-I801 HydrophobicContact CG2-CG1 4.28Å; V798-I801 HydrophobicContact CG1-CD1 4.11Å; V798-I801 HydrophobicContact CG1-CG1 3.78Å; I801-Y967 HydrophobicContact CG2-CD1 4.39Å; I801-V969 HydrophobicContact CG1-CG1 4.24Å; I801-V969 HydrophobicContact CG1-CG2 4.42Å; I801-V969 HydrophobicContact CG2-CG2 4.46Å |
| 802 | F | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 132.7 | 175.4 | -56.5 | -91.3 | 0 | 0 | 0 | 109.2 | A626 L627 L630 E767 P768 N800 Y967 L968 | A626-F802 HydrophobicContact CB-CE1 3.9Å; A626-F802 HydrophobicContact CB-CZ 3.98Å; L627-F802 HydrophobicContact CD2-CD1 3.67Å; L627-F802 HydrophobicContact CD2-CE1 3.64Å; L627-F802 HydrophobicContact CG-CE1 4.18Å; L630-F802 HydrophobicContact CB-CE2 4.43Å; L630-F802 HydrophobicContact CB-CZ 4.16Å; L630-F802 HydrophobicContact CD2-CD2 4.14Å; L630-F802 HydrophobicContact CD2-CE1 4.45Å; L630-F802 HydrophobicContact CD2-CE2 3.99Å; L630-F802 HydrophobicContact CD2-CG 4.44Å; L630-F802 HydrophobicContact CD2-CZ 4.15Å; E767-F802 CarbonylContact O-C 3.46Å; E767-F802 VanDerWaalsContact O-CA 3.24Å; E767-F802 WeakPolarHBondContact O-CA 3.09Å; P768-F802 HydrophobicContact CG-CD1 4.25Å; P768-F802 HydrophobicContact CG-CE1 4.16Å; N800-F802 HydrophobicContact CB-CD2 4.43Å; N800-F802 HydrophobicContact CB-CE2 3.65Å; N800-F802 HydrophobicContact CB-CZ 3.88Å; F802-Y967 CarbonylContact O-C 3.52Å; F802-Y967 VanDerWaalsContact O-CA 3.23Å; F802-Y967 WeakPolarHBondContact O-CA 3.35Å; F802-L968 HydrophobicContact CB-CB 4.37Å; F802-L968 PolarHBondContact N-O 3.06Å; F802-L968 PolarHBondContact O-N 3.33Å |
| 803 | E | 97.4 | Very high | 96.6 | Very high | 44 Ų | 44 | 45.6 Ų | 45.6 | 21% | 0.206 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 136.7 | 163.5 | -162 | -179.1 | -163.8 | 0 | 0 | 109.2 | L766 E767 H805 K966 Y967 | L766-E803 WeakPolarHBondContact CA-O 3.43Å; E767-E803 PolarHBondContact N-O 3.05Å; E767-E803 VanDerWaalsContact N-O 3.1Å; E767-E803 PolarHBondContact O-N 3.48Å; E803-H805 WeakPolarHBondContact CG-NE2 3.44Å; E803-H805 IonicContact OE1-CE1 2.66Å; E803-H805 PolarHBondContact OE1-CE1 2.96Å; E803-H805 IonicContact OE1-NE2 2.68Å; E803-H805 PolarHBondContact OE1-NE2 3.23Å; E803-H805 IonicContact OE2-CE1 2.76Å; E803-H805 IonicContact OE2-NE2 2.69Å; E803-H805 PolarHBondContact OE2-NE2 3.37Å; E803-K966 IonicContact OE1-NZ 3.78Å; E803-K966 PolarHBondContact OE1-NZ 3.16Å; E803-Y967 HydrophobicContact CG-CD1 4.46Å; E803-Y967 HydrophobicContact CG-CE1 4.31Å |
| 804 | V | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124.3 | -174.9 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | T764 L766 R806 L839 L886 Q965 K966 L968 | T764-V804 HydrophobicContact CG2-CG1 3.77Å; L766-V804 HydrophobicContact CD2-CB 4.21Å; L766-V804 HydrophobicContact CD2-CG1 4.09Å; L766-V804 HydrophobicContact CD2-CG2 3.76Å; V804-R806 HydrophobicContact CG1-CG 4Å; V804-L839 HydrophobicContact CG1-CD2 4.49Å; V804-L886 HydrophobicContact CG2-CD1 4.49Å; V804-Q965 HydrophobicContact CB-CB 4.36Å; V804-Q965 HydrophobicContact CG1-CB 3.86Å; V804-K966 PolarHBondContact N-O 3.34Å; V804-L968 HydrophobicContact CG2-CB 3.76Å |
| 805 | H | 97.5 | Very high | 96.4 | Very high | 50 Ų | 50 | 49.1 Ų | 49.1 | 23% | 0.231 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 104.4 | 171.7 | -60.9 | -84.6 | 0 | 0 | 0 | 109.7 | T764 K765 E803 | T764-H805 WeakPolarHBondContact CA-O 3.44Å; K765-H805 HydrophobicContact CB-CB 4.23Å; K765-H805 PolarHBondContact N-O 3.36Å; K765-H805 PolarHBondContact O-N 3.21Å; E803-H805 WeakPolarHBondContact CG-NE2 3.44Å; E803-H805 IonicContact OE1-CE1 2.66Å; E803-H805 PolarHBondContact OE1-CE1 2.96Å; E803-H805 IonicContact OE1-NE2 2.68Å; E803-H805 PolarHBondContact OE1-NE2 3.23Å; E803-H805 IonicContact OE2-CE1 2.76Å; E803-H805 IonicContact OE2-NE2 2.69Å; E803-H805 PolarHBondContact OE2-NE2 3.37Å |
| 806 | R | 97.3 | Very high | 96.2 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 8% | 0.075 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 142.8 | -179.2 | -63.6 | -172.8 | 56.9 | -126 | -9.5 | 112.1 | T764 V804 G808 E809 L839 S840 Q841 G842 | T764-R806 HydrophobicContact CG2-CG 3.77Å; V804-R806 HydrophobicContact CG1-CG 4Å; R806-G808 PolarHBondContact O-N 3.18Å; R806-E809 HydrophobicContact CB-CB 3.8Å; R806-E809 IonicContact CZ-OE1 2.75Å; R806-E809 IonicContact NH1-OE1 3.84Å; R806-E809 PolarHBondContact NH1-OE1 2.94Å; R806-E809 PolarHBondContact O-N 3.1Å; R806-L839 PolarHBondContact NE-O 3.45Å; R806-S840 PolarHBondContact NH2-O 2.95Å; R806-Q841 PolarHBondContact NH2-O 2.73Å; R806-G842 VanDerWaalsContact CZ-N 3.28Å |
| 807 | D | 95.8 | Very high | 95.9 | Very high | 111 Ų | 111 | 54.7 Ų | 54.7 | 59% | 0.594 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 121.9 | 179.3 | -72.3 | -13 | 0 | 0 | 0 | 111.5 | H763 E809 | H763-D807 HydrophobicContact CB-CB 4.43Å; H763-D807 IonicContact ND1-OD2 2.76Å; H763-D807 VanDerWaalsContact O-CG 3.31Å; H763-D807 PolarHBondContact O-N 3.15Å; D807-E809 PolarHBondContact O-N 3.12Å |
| 808 | G | 95.7 | Very high | 95.5 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 57% | 0.567 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | -7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | R806 S811 R812 | R806-G808 PolarHBondContact O-N 3.18Å; G808-S811 PolarHBondContact O-N 2.92Å; G808-R812 PolarHBondContact O-N 2.85Å |
| 809 | E | 96.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.019 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.9 | -41.9 | -175.9 | -177.3 | 158.7 | -92.5 | 0 | 0 | 112.7 | R806 D807 S811 R812 F813 K964 Q965 | R806-E809 HydrophobicContact CB-CB 3.8Å; R806-E809 IonicContact CZ-OE1 2.75Å; R806-E809 IonicContact NH1-OE1 3.84Å; R806-E809 PolarHBondContact NH1-OE1 2.94Å; R806-E809 PolarHBondContact O-N 3.1Å; D807-E809 PolarHBondContact O-N 3.12Å; E809-S811 VanDerWaalsContact C-N 3.31Å; E809-S811 PolarHBondContact O-N 3.41Å; E809-R812 PolarHBondContact O-N 3.48Å; E809-R812 IonicContact OE1-CZ 3.38Å; E809-R812 IonicContact OE1-NH2 3.6Å; E809-R812 PolarHBondContact OE1-NH2 2.8Å; E809-F813 VanDerWaalsContact O-CB 3.28Å; E809-F813 WeakPolarHBondContact O-CB 3.42Å; E809-F813 PolarHBondContact O-N 2.68Å; E809-K964 HydrophobicContact CG-CB 4.42Å; E809-K964 HydrophobicContact CG-CG 4.48Å; E809-Q965 WeakPolarHBondContact OE2-CB 3.34Å; E809-Q965 WeakPolarHBondContact OE2-CG 3.41Å; E809-Q965 PolarHBondContact OE2-N 3.13Å |
| 810 | D | 95.1 | Very high | 95.1 | Very high | 74 Ų | 74 | 54.3 Ų | 54.3 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.9 | -44.5 | 175.2 | -79.6 | -26.8 | 0 | 0 | 0 | 112.4 | F813 A814 K964 | D810-F813 PolarHBondContact O-N 2.93Å; D810-A814 VanDerWaalsContact O-CB 3.25Å; D810-A814 WeakPolarHBondContact O-CB 3.22Å; D810-A814 PolarHBondContact O-N 2.94Å; D810-K964 WeakPolarHBondContact OD1-CD 3.29Å; D810-K964 WeakPolarHBondContact OD1-CE 3.25Å; D810-K964 IonicContact OD1-NZ 3.03Å; D810-K964 PolarHBondContact OD1-NZ 3.12Å |
| 811 | S | 95.6 | Very high | 95.2 | Very high | 56 Ų | 56 | 55.9 Ų | 55.9 | 39% | 0.392 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 179.1 | -158.6 | 0 | 0 | 0 | 0 | 111.3 | G808 E809 K815 | G808-S811 PolarHBondContact O-N 2.92Å; E809-S811 VanDerWaalsContact C-N 3.31Å; E809-S811 PolarHBondContact O-N 3.41Å; S811-K815 VanDerWaalsContact O-CB 3.25Å; S811-K815 WeakPolarHBondContact O-CB 3.31Å; S811-K815 WeakPolarHBondContact O-CD 3.29Å; S811-K815 VanDerWaalsContact O-CG 3.24Å; S811-K815 WeakPolarHBondContact O-CG 3.46Å; S811-K815 PolarHBondContact O-N 2.99Å; S811-K815 VanDerWaalsContact O-N 3.07Å; S811-K815 WeakPolarHBondContact OG-CE 3.24Å; S811-K815 PolarHBondContact OG-NZ 2.74Å |
| 812 | R | 95.3 | Very high | 95.1 | Very high | 74 Ų | 74 | 58.1 Ų | 58.1 | 28% | 0.279 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 177 | -175.7 | -177.1 | 71.1 | -135.6 | -2.7 | 111.2 | G808 E809 K815 C816 V960 V963 | G808-R812 PolarHBondContact O-N 2.85Å; E809-R812 PolarHBondContact O-N 3.48Å; E809-R812 IonicContact OE1-CZ 3.38Å; E809-R812 IonicContact OE1-NH2 3.6Å; E809-R812 PolarHBondContact OE1-NH2 2.8Å; R812-K815 PolarHBondContact O-N 2.83Å; R812-C816 PolarHBondContact O-N 3.45Å; R812-V960 PolarHBondContact NE-O 2.78Å; R812-V963 PolarHBondContact NH2-O 3.5Å |
| 813 | F | 96.5 | Very high | 95.1 | Very high | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.9 | -47.1 | -178.5 | -174.4 | -95.3 | 0 | 0 | 0 | 112.2 | E809 D810 K815 C816 Q820 E889 I891 Q962 K964 | E809-F813 VanDerWaalsContact O-CB 3.28Å; E809-F813 WeakPolarHBondContact O-CB 3.42Å; E809-F813 PolarHBondContact O-N 2.68Å; D810-F813 PolarHBondContact O-N 2.93Å; F813-K815 VanDerWaalsContact C-N 3.27Å; F813-K815 PolarHBondContact O-N 3.15Å; F813-C816 VanDerWaalsContact O-CB 3.26Å; F813-C816 WeakPolarHBondContact O-CB 3.42Å; F813-C816 PolarHBondContact O-N 3.49Å; F813-C816 VanDerWaalsContact O-N 3.14Å; F813-Q820 PolarHBondContact O-NE2 2.89Å; F813-E889 HydrophobicContact CE1-CG 4.2Å; F813-E889 WeakPolarHBondContact CE1-OE1 3.34Å; F813-E889 HydrophobicContact CE2-CG 4.48Å; F813-E889 VanDerWaalsContact CE2-O 3.3Å; F813-E889 WeakPolarHBondContact CE2-O 3.47Å; F813-E889 HydrophobicContact CZ-CB 4.12Å; F813-E889 VanDerWaalsContact CZ-CD 3.49Å; F813-E889 HydrophobicContact CZ-CG 3.64Å; F813-E889 VanDerWaalsContact CZ-OE1 3.29Å; F813-E889 WeakPolarHBondContact CZ-OE1 3.45Å; F813-I891 HydrophobicContact CD1-CD1 4.5Å; F813-I891 HydrophobicContact CD2-CD1 4.09Å; F813-I891 HydrophobicContact CD2-CG1 4.42Å; F813-I891 HydrophobicContact CE1-CD1 4.09Å; F813-I891 HydrophobicContact CE1-CG1 4.24Å; F813-I891 HydrophobicContact CE2-CD1 3.68Å; F813-I891 HydrophobicContact CE2-CG1 3.55Å; F813-I891 HydrophobicContact CG-CD1 4.49Å; F813-I891 HydrophobicContact CZ-CD1 3.67Å; F813-I891 HydrophobicContact CZ-CG1 3.42Å; F813-I891 VanDerWaalsContact CZ-CG1 3.42Å; F813-Q962 WeakPolarHBondContact CE2-O 3.36Å; F813-K964 HydrophobicContact CB-CB 4.07Å; F813-K964 HydrophobicContact CD1-CB 4.12Å; F813-K964 HydrophobicContact CD1-CD 4.02Å; F813-K964 HydrophobicContact CD2-CB 3.4Å; F813-K964 VanDerWaalsContact CD2-CB 3.4Å; F813-K964 HydrophobicContact CE1-CB 4.42Å; F813-K964 HydrophobicContact CE1-CD 4.41Å; F813-K964 HydrophobicContact CE2-CB 3.72Å; F813-K964 HydrophobicContact CG-CB 3.6Å; F813-K964 HydrophobicContact CG-CD 4.2Å; F813-K964 HydrophobicContact CZ-CB 4.23Å |
| 814 | A | 93.9 | Very high | 95.2 | Very high | 70 Ų | 70 | 58.7 Ų | 58.7 | 58% | 0.579 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.9 | -31.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D810 | D810-A814 VanDerWaalsContact O-CB 3.25Å; D810-A814 WeakPolarHBondContact O-CB 3.22Å; D810-A814 PolarHBondContact O-N 2.94Å |
| 815 | K | 92.8 | Very high | 95.2 | Very high | 147 Ų | 147 | 58.7 Ų | 58.7 | 64% | 0.639 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 7.6 | 177.4 | -67 | 171.3 | -180 | 162.4 | 0 | 113.5 | S811 R812 F813 K817 | S811-K815 VanDerWaalsContact O-CB 3.25Å; S811-K815 WeakPolarHBondContact O-CB 3.31Å; S811-K815 WeakPolarHBondContact O-CD 3.29Å; S811-K815 VanDerWaalsContact O-CG 3.24Å; S811-K815 WeakPolarHBondContact O-CG 3.46Å; S811-K815 PolarHBondContact O-N 2.99Å; S811-K815 VanDerWaalsContact O-N 3.07Å; S811-K815 WeakPolarHBondContact OG-CE 3.24Å; S811-K815 PolarHBondContact OG-NZ 2.74Å; R812-K815 PolarHBondContact O-N 2.83Å; F813-K815 VanDerWaalsContact C-N 3.27Å; F813-K815 PolarHBondContact O-N 3.15Å; K815-K817 PolarHBondContact O-N 3.18Å |
| 816 | C | 92.7 | Very high | 95.2 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | trans | -60.8 | 114.1 | 178.8 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | R812 F813 Q820 I891 | R812-C816 PolarHBondContact O-N 3.45Å; F813-C816 VanDerWaalsContact O-CB 3.26Å; F813-C816 WeakPolarHBondContact O-CB 3.42Å; F813-C816 PolarHBondContact O-N 3.49Å; F813-C816 VanDerWaalsContact O-N 3.14Å; C816-Q820 PolarHBondContact O-NE2 3.49Å; C816-I891 HydrophobicContact CB-CD1 4.02Å | ||
| 817 | K | 90.5 | Very high | 95.3 | Very high | 206 Ų | 206 | 55.4 Ų | 55.4 | 90% | 0.896 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -84.3 | -9.2 | -176.3 | -63.5 | -174.1 | 179.2 | -179.1 | 0 | 113.9 | K815 | K815-K817 PolarHBondContact O-N 3.18Š|
| 818 | I | 89.9 | Confident | 95.4 | Very high | 64 Ų | 64 | 51.6 Ų | 51.6 | 33% | 0.328 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -77.8 | -47 | -173.6 | -65.9 | 174.3 | 0 | 0 | 0 | 110.5 | H911 N959 | I818-H911 HydrophobicContact CG2-CB 3.88Å; I818-H911 PolarHBondContact O-CD2 3.41Å; I818-H911 VanDerWaalsContact O-CD2 3.27Å; I818-H911 PolarHBondContact O-NE2 2.72Å; I818-N959 HydrophobicContact CD1-CB 3.46Å; I818-N959 VanDerWaalsContact CD1-CB 3.46Å; I818-N959 WeakPolarHBondContact CD1-ND2 3.44Å |
| 819 | A | 92.6 | Very high | 95.5 | Very high | 10 Ų | 10 | 49.3 Ų | 49.3 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | trans | -160.2 | 165.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | I891 H911 | A819-I891 HydrophobicContact CB-CG2 3.69Å; A819-I891 WeakPolarHBondContact O-CG2 3.43Å; A819-H911 HydrophobicContact CB-CB 4.08Å | ||
| 820 | Q | 93.6 | Very high | 95.5 | Very high | 79 Ų | 79 | 49.8 Ų | 49.8 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | trans | -140.4 | 4.3 | 170.6 | -74.1 | -63.1 | -30.9 | 0 | 0 | 113.1 | F813 C816 K823 | F813-Q820 PolarHBondContact O-NE2 2.89Å; C816-Q820 PolarHBondContact O-NE2 3.49Å; Q820-K823 VanDerWaalsContact O-CE 3.24Å; Q820-K823 WeakPolarHBondContact O-CE 3.41Å | ||
| 821 | H | 95.4 | Very high | 95.4 | Very high | 86 Ų | 86 | 47.6 Ų | 47.6 | 40% | 0.398 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -104.6 | 169.7 | 177.7 | 65.3 | -72.2 | 0 | 0 | 0 | 112.4 | G893 D894 H911 | H821-G893 WeakPolarHBondContact O-CA 3.42Å; H821-G893 PolarHBondContact O-N 2.97Å; H821-G893 VanDerWaalsContact O-N 3.16Å; H821-D894 IonicContact CD2-OD1 3.86Å; H821-D894 IonicContact CE1-OD1 2.83Å; H821-D894 IonicContact CE1-OD2 3.83Å; H821-D894 IonicContact NE2-OD1 2.62Å; H821-D894 PolarHBondContact NE2-OD1 3.34Å; H821-D894 IonicContact NE2-OD2 2.9Å; H821-D894 PolarHBondContact NE2-OD2 2.86Å; H821-H911 AromaticContact CE1-ND1 3.93Å |
| 822 | N | 97.1 | Very high | 95.4 | Very high | 52 Ų | 52 | 46.4 Ų | 46.4 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 52.6 | 60.5 | -179.7 | -174 | 19.6 | 0 | 0 | 0 | 112.1 | Q824 L892 G893 | N822-Q824 PolarHBondContact OD1-NE2 3.38Å; N822-L892 WeakPolarHBondContact O-CB 3.28Å; N822-L892 PolarHBondContact O-N 2.87Å; N822-G893 PolarHBondContact ND2-O 2.74Å |
| 823 | K | 98 | Very high | 95.3 | Very high | 39 Ų | 39 | 43 Ų | 43 | 17% | 0.17 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 126.2 | 178.6 | -63.8 | 179 | 172.6 | -167.8 | 0 | 109.5 | Q820 E889 V890 I891 V933 V934 | Q820-K823 VanDerWaalsContact O-CE 3.24Å; Q820-K823 WeakPolarHBondContact O-CE 3.41Å; K823-E889 WeakPolarHBondContact CD-OE1 3.41Å; K823-E889 IonicContact NZ-OE1 3.68Å; K823-V890 WeakPolarHBondContact CA-O 3.17Å; K823-I891 HydrophobicContact CG-CG1 4.23Å; K823-V933 HydrophobicContact CB-CG2 4.25Å; K823-V934 PolarHBondContact O-N 3.4Å |
| 824 | Q | 98.3 | Very high | 95.2 | Very high | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 147.6 | 178.1 | -57.6 | -163.6 | 12 | 0 | 0 | 111.4 | N822 L826 V890 L892 V934 | N822-Q824 PolarHBondContact OD1-NE2 3.38Å; Q824-L826 HydrophobicContact CB-CD1 4.24Å; Q824-L826 HydrophobicContact CB-CD2 4.06Å; Q824-L826 HydrophobicContact CB-CG 3.89Å; Q824-V890 PolarHBondContact N-O 2.68Å; Q824-V890 PolarHBondContact O-N 3.04Å; Q824-L892 HydrophobicContact CB-CD1 4.1Å; Q824-L892 HydrophobicContact CG-CD1 3.68Å; Q824-V934 CarbonylContact C-O 3.45Å; Q824-V934 VanDerWaalsContact CA-O 3.31Å; Q824-V934 WeakPolarHBondContact CA-O 3.34Å; Q824-V934 HydrophobicContact CG-CB 4.22Å |
| 825 | L | 98.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 107 | 171.6 | -162.3 | 78.8 | 0 | 0 | 0 | 109.5 | Y782 L887 C888 V933 V934 Y935 P936 K966 Y967 | Y782-L825 WeakPolarHBondContact CE1-O 3.46Å; Y782-L825 PolarHBondContact OH-O 3.39Å; L825-L887 HydrophobicContact CD1-CB 4.24Å; L825-L887 HydrophobicContact CD2-CB 4.14Å; L825-L887 HydrophobicContact CD2-CD1 3.98Å; L825-L887 HydrophobicContact CD2-CD2 4.09Å; L825-L887 HydrophobicContact CD2-CG 4.3Å; L825-L887 HydrophobicContact CG-CB 4.04Å; L825-L887 HydrophobicContact CG-CD2 4.01Å; L825-L887 HydrophobicContact CG-CG 4.45Å; L825-C888 WeakPolarHBondContact CA-O 3.37Å; L825-V933 HydrophobicContact CB-CG1 4.12Å; L825-V934 PolarHBondContact N-O 3.44Å; L825-Y935 HydrophobicContact CB-CD2 4.32Å; L825-Y935 HydrophobicContact CB-CE2 4.47Å; L825-Y935 HydrophobicContact CB-CG 4.33Å; L825-Y935 HydrophobicContact CD2-CD1 3.62Å; L825-Y935 HydrophobicContact CD2-CE1 3.37Å; L825-Y935 HydrophobicContact CD2-CE2 4.28Å; L825-Y935 HydrophobicContact CD2-CG 4.22Å; L825-P936 WeakPolarHBondContact O-CD 3.38Å; L825-K966 HydrophobicContact CD1-CB 4.15Å; L825-K966 HydrophobicContact CD1-CG 4.45Å; L825-Y967 HydrophobicContact CD1-CE2 4.5Å; L825-Y967 HydrophobicContact CD2-CD2 4.24Å; L825-Y967 HydrophobicContact CD2-CE2 4.15Å |
| 826 | L | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 151.2 | -169.8 | -59.3 | 173.5 | 0 | 0 | 0 | 112.7 | Q824 F863 D865 L887 C888 V890 L892 P936 Y955 | Q824-L826 HydrophobicContact CB-CD1 4.24Å; Q824-L826 HydrophobicContact CB-CD2 4.06Å; Q824-L826 HydrophobicContact CB-CG 3.89Å; L826-F863 HydrophobicContact CB-CB 3.7Å; L826-F863 HydrophobicContact CB-CD1 4.21Å; L826-F863 HydrophobicContact CB-CG 4.18Å; L826-F863 HydrophobicContact CD1-CB 3.95Å; L826-F863 HydrophobicContact CG-CB 4.49Å; L826-D865 HydrophobicContact CD2-CB 4.09Å; L826-L887 WeakPolarHBondContact O-CA 3.46Å; L826-C888 PolarHBondContact N-O 2.85Å; L826-C888 PolarHBondContact O-N 2.98Å; L826-V890 HydrophobicContact CB-CG2 4.37Å; L826-V890 HydrophobicContact CD1-CB 4.28Å; L826-V890 HydrophobicContact CD1-CG2 4.33Å; L826-L892 HydrophobicContact CD1-CD1 4.33Å; L826-L892 HydrophobicContact CD1-CD2 4.21Å; L826-P936 HydrophobicContact CD2-CG 4.13Å; L826-Y955 HydrophobicContact CD1-CD1 4.29Å; L826-Y955 HydrophobicContact CD1-CD2 3.71Å; L826-Y955 HydrophobicContact CD1-CE2 4.43Å; L826-Y955 HydrophobicContact CD1-CG 3.64Å; L826-Y955 HydrophobicContact CD2-CD2 4Å; L826-Y955 HydrophobicContact CD2-CE2 4Å; L826-Y955 HydrophobicContact CG-CD2 4.49Å |
| 827 | W | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 134.1 | -177 | -64.5 | 105.6 | 0 | 0 | 0 | 112.3 | I779 Y782 V783 F863 A864 V867 S870 L885 L886 L887 V969 | I779-W827 HydrophobicContact CG2-CH2 4.22Å; Y782-W827 AromaticContact CD1-CE2 3.84Å; Y782-W827 AromaticContact CD1-CZ2 3.67Å; Y782-W827 HydrophobicContact CD1-CZ2 3.67Å; Y782-W827 AromaticContact CD1-NE1 3.69Å; Y782-W827 HydrophobicContact CD2-CZ2 4.36Å; Y782-W827 AromaticContact CD2-NE1 3.52Å; Y782-W827 AromaticContact CE1-CE2 3.87Å; Y782-W827 HydrophobicContact CE1-CZ2 4.17Å; Y782-W827 AromaticContact CE1-NE1 3.43Å; Y782-W827 AromaticContact CE2-CD1 3.89Å; Y782-W827 AromaticContact CE2-NE1 3.21Å; Y782-W827 AromaticContact CG-CZ2 3.76Å; Y782-W827 HydrophobicContact CG-CZ2 3.76Å; Y782-W827 AromaticContact CG-NE1 3.73Å; Y782-W827 AromaticContact CZ-CD1 3.62Å; Y782-W827 AromaticContact CZ-NE1 3.15Å; V783-W827 HydrophobicContact CG2-CH2 3.53Å; V783-W827 HydrophobicContact CG2-CZ2 3.77Å; W827-F863 WeakPolarHBondContact O-CA 3.29Å; W827-A864 WeakPolarHBondContact CB-O 3.38Å; W827-A864 PolarHBondContact N-O 2.89Å; W827-A864 PolarHBondContact O-N 2.91Å; W827-V867 HydrophobicContact CD2-CB 4.21Å; W827-V867 HydrophobicContact CD2-CG2 3.91Å; W827-V867 HydrophobicContact CE3-CG2 4.19Å; W827-V867 HydrophobicContact CG-CB 4.36Å; W827-V867 HydrophobicContact CG-CG2 4.43Å; W827-V867 HydrophobicContact CH2-CG2 4.28Å; W827-V867 HydrophobicContact CZ2-CB 4.29Å; W827-V867 HydrophobicContact CZ2-CG2 4.02Å; W827-V867 HydrophobicContact CZ3-CG2 4.35Å; W827-S870 WeakPolarHBondContact CB-OG 3.48Å; W827-S870 PolarHBondContact O-OG 3.18Å; W827-L885 HydrophobicContact CE3-CB 4.08Å; W827-L885 HydrophobicContact CZ3-CB 4.07Å; W827-L886 CarbonylContact C-O 3.56Å; W827-L886 WeakPolarHBondContact CA-O 3.29Å; W827-L887 HydrophobicContact CD2-CD2 3.44Å; W827-L887 VanDerWaalsContact CD2-CD2 3.44Å; W827-L887 HydrophobicContact CD2-CG 4.03Å; W827-L887 HydrophobicContact CE3-CD1 4.34Å; W827-L887 HydrophobicContact CE3-CD2 3.54Å; W827-L887 HydrophobicContact CE3-CG 3.57Å; W827-L887 HydrophobicContact CG-CD2 4.03Å; W827-L887 HydrophobicContact CH2-CD1 3.48Å; W827-L887 VanDerWaalsContact CH2-CD1 3.48Å; W827-L887 HydrophobicContact CH2-CD2 3.89Å; W827-L887 HydrophobicContact CH2-CG 3.67Å; W827-L887 HydrophobicContact CZ2-CD1 3.96Å; W827-L887 HydrophobicContact CZ2-CD2 3.79Å; W827-L887 HydrophobicContact CZ2-CG 4.1Å; W827-L887 HydrophobicContact CZ3-CD1 3.71Å; W827-L887 HydrophobicContact CZ3-CD2 3.78Å; W827-L887 HydrophobicContact CZ3-CG 3.39Å; W827-V969 HydrophobicContact CH2-CG2 4.16Å; W827-V969 HydrophobicContact CZ3-CB 4.3Å; W827-V969 HydrophobicContact CZ3-CG2 3.88Å |
| 828 | H | 98.6 | Very high | 95.6 | Very high | 32 Ų | 32 | 22.7 Ų | 22.7 | 15% | 0.148 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 136.3 | 165.2 | -176.3 | 84.6 | 0 | 0 | 0 | 109.4 | L843 Y862 F863 L886 | H828-L843 HydrophobicContact CB-CD1 4.34Å; H828-L843 WeakPolarHBondContact NE2-CD2 3.34Å; H828-Y862 PolarHBondContact ND1-O 3.47Å; H828-F863 HydrophobicContact CB-CD1 3.96Å; H828-F863 HydrophobicContact CB-CE1 4.02Å; H828-L886 HydrophobicContact CB-CB 4.38Å; H828-L886 PolarHBondContact N-O 2.8Å; H828-L886 PolarHBondContact O-N 2.97Å |
| 829 | G | 97.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 19.7 Ų | 19.7 | 6% | 0.062 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 147.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S870 Y873 | G829-S870 WeakPolarHBondContact CA-O 3.39Å; G829-Y873 VanDerWaalsContact O-CB 3.24Å; G829-Y873 WeakPolarHBondContact O-CB 3.14Å |
| 830 | S | 96.1 | Very high | 96.1 | Very high | 14 Ų | 14 | 19.9 Ų | 19.9 | 10% | 0.098 | 10% | 0.098 | C | C | . | . | trans | -156.1 | 158.5 | -178.1 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | N834 W835 Y873 | S830-N834 VanDerWaalsContact OG-CB 3.29Å; S830-N834 WeakPolarHBondContact OG-CB 3.43Å; S830-N834 PolarHBondContact OG-ND2 2.92Å; S830-W835 PolarHBondContact O-NE1 3.12Å; S830-W835 VanDerWaalsContact O-NE1 3.12Å; S830-Y873 CarbonylContact C-O 3.49Å; S830-Y873 VanDerWaalsContact CA-O 3.29Å; S830-Y873 WeakPolarHBondContact CA-O 3.41Å | ||
| 831 | R | 94.5 | Very high | 96.1 | Very high | 28 Ų | 28 | 20.7 Ų | 20.7 | 11% | 0.106 | 10% | 0.102 | C | C | . | . | trans | -55.2 | 150.2 | 175.8 | -71 | -173.9 | 176.9 | -102.2 | -3.5 | 111.8 | E646 D733 T833 N834 W835 Y873 F875 | E646-R831 IonicContact OE2-NH1 3.86Å; E646-R831 PolarHBondContact OE2-NH1 3.23Å; D733-R831 WeakPolarHBondContact OD2-CD 3.4Å; D733-R831 IonicContact OD2-NE 2.65Å; D733-R831 PolarHBondContact OD2-NE 3.37Å; D733-R831 VanDerWaalsContact OD2-NE 3.15Å; R831-T833 PolarHBondContact O-N 3.46Å; R831-T833 VanDerWaalsContact O-N 3.14Å; R831-N834 PolarHBondContact O-N 3.11Å; R831-W835 PolarHBondContact O-NE1 2.94Å; R831-Y873 PolarHBondContact N-O 2.9Å; R831-F875 HydrophobicContact CG-CB 4.17Å; R831-F875 HydrophobicContact CG-CD2 3.48Å; R831-F875 VanDerWaalsContact CG-CD2 3.48Å; R831-F875 HydrophobicContact CG-CE2 4.22Å; R831-F875 HydrophobicContact CG-CG 4.14Å | ||
| 832 | Q | 95 | Very high | 96.1 | Very high | 31 Ų | 31 | 16.6 Ų | 16.6 | 15% | 0.145 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -47.5 | -41.1 | 174.5 | 174.9 | -179.5 | -13.5 | 0 | 0 | 112.8 | F633 S639 N834 | F633-Q832 HydrophobicContact CD1-CG 4.03Å; F633-Q832 HydrophobicContact CD2-CG 4.41Å; F633-Q832 HydrophobicContact CE1-CB 4.07Å; F633-Q832 HydrophobicContact CE1-CG 3.57Å; F633-Q832 VanDerWaalsContact CE2-CD 3.42Å; F633-Q832 HydrophobicContact CE2-CG 3.98Å; F633-Q832 HydrophobicContact CG-CG 4.43Å; F633-Q832 HydrophobicContact CZ-CB 3.91Å; F633-Q832 HydrophobicContact CZ-CG 3.54Å; F633-Q832 PolarHBondContact O-NE2 3.07Å; S639-Q832 PolarHBondContact OG-NE2 2.94Å; Q832-N834 PolarHBondContact O-N 3.38Å |
| 833 | T | 92.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 2% | 0.018 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -64.9 | -20.9 | -176.6 | 49.5 | 0 | 0 | 0 | 0 | 114.6 | M640 T643 I737 R831 | M640-T833 HydrophobicContact CB-CG2 4.36Å; M640-T833 HydrophobicContact CG-CG2 3.97Å; T643-T833 HydrophobicContact CG2-CG2 4.39Å; T643-T833 WeakPolarHBondContact OG1-CG2 3.32Å; I737-T833 HydrophobicContact CD1-CG2 4.34Å; I737-T833 HydrophobicContact CG1-CG2 4.19Å; R831-T833 PolarHBondContact O-N 3.46Å; R831-T833 VanDerWaalsContact O-N 3.14Å |
| 834 | N | 94.6 | Very high | 95.9 | Very high | 9 Ų | 9 | 17.4 Ų | 17.4 | 5% | 0.048 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -93.5 | -12.8 | -169.8 | -57.7 | -1.9 | 0 | 0 | 0 | 112.7 | D733 E736 S830 R831 Q832 M836 G837 I838 | D733-N834 PolarHBondContact OD1-ND2 2.9Å; E736-N834 HydrophobicContact CB-CB 3.93Å; E736-N834 WeakPolarHBondContact CB-OD1 3.26Å; E736-N834 HydrophobicContact CG-CB 3.89Å; S830-N834 VanDerWaalsContact OG-CB 3.29Å; S830-N834 WeakPolarHBondContact OG-CB 3.43Å; S830-N834 PolarHBondContact OG-ND2 2.92Å; R831-N834 PolarHBondContact O-N 3.11Å; Q832-N834 PolarHBondContact O-N 3.38Å; N834-M836 PolarHBondContact O-N 2.77Å; N834-G837 PolarHBondContact O-N 3.2Å; N834-I838 HydrophobicContact CB-CD1 3.99Å; N834-I838 WeakPolarHBondContact O-CG1 3.48Å; N834-I838 PolarHBondContact O-N 2.82Å |
| 835 | W | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.6 | -30.4 | -171.5 | -70.8 | 99.2 | 0 | 0 | 0 | 114 | I634 S830 R831 G837 I838 L839 L884 L886 L968 | I634-W835 HydrophobicContact CB-CB 4.25Å; I634-W835 HydrophobicContact CG2-CB 3.7Å; I634-W835 HydrophobicContact CG2-CG 4.42Å; S830-W835 PolarHBondContact O-NE1 3.12Å; S830-W835 VanDerWaalsContact O-NE1 3.12Å; R831-W835 PolarHBondContact O-NE1 2.94Å; W835-G837 VanDerWaalsContact C-N 3.33Å; W835-G837 PolarHBondContact O-N 2.99Å; W835-I838 HydrophobicContact CE3-CB 4.31Å; W835-I838 HydrophobicContact CE3-CD1 4.33Å; W835-I838 HydrophobicContact CE3-CG2 4.1Å; W835-I838 HydrophobicContact CZ3-CD1 4.45Å; W835-I838 HydrophobicContact CZ3-CG2 4.03Å; W835-I838 PolarHBondContact O-N 3.32Å; W835-L839 VanDerWaalsContact O-CB 3.29Å; W835-L839 WeakPolarHBondContact O-CB 3.42Å; W835-L839 WeakPolarHBondContact O-CG 3.25Å; W835-L839 PolarHBondContact O-N 3.23Å; W835-L884 HydrophobicContact CB-CD1 4.09Å; W835-L884 HydrophobicContact CD2-CB 3.93Å; W835-L884 HydrophobicContact CD2-CD1 3.97Å; W835-L884 VanDerWaalsContact CE2-CB 3.41Å; W835-L884 HydrophobicContact CG-CB 4.27Å; W835-L884 HydrophobicContact CG-CD1 3.58Å; W835-L884 HydrophobicContact CH2-CB 4.47Å; W835-L884 HydrophobicContact CZ2-CB 3.73Å; W835-L884 WeakPolarHBondContact CZ2-O 3.47Å; W835-L886 HydrophobicContact CH2-CB 3.62Å; W835-L886 HydrophobicContact CZ3-CB 3.77Å; W835-L886 HydrophobicContact CZ3-CD1 4.35Å; W835-L886 HydrophobicContact CZ3-CD2 4.2Å; W835-L886 HydrophobicContact CZ3-CG 4.36Å; W835-L968 HydrophobicContact CD2-CD1 4.33Å; W835-L968 HydrophobicContact CE3-CD1 3.64Å; W835-L968 HydrophobicContact CH2-CD1 4.02Å; W835-L968 HydrophobicContact CZ3-CD1 3.46Å; W835-L968 VanDerWaalsContact CZ3-CD1 3.46Å |
| 836 | M | 93.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 171.8 | -80.5 | -71.3 | -66.5 | 0 | 0 | 111.4 | I634 A740 M743 L744 L762 N834 S840 | I634-M836 HydrophobicContact CB-CG 4.28Å; I634-M836 HydrophobicContact CD1-CG 4.17Å; I634-M836 HydrophobicContact CD1-SD 3.79Å; I634-M836 HydrophobicContact CG1-CG 4.08Å; I634-M836 HydrophobicContact CG1-SD 3.97Å; A740-M836 HydrophobicContact CB-CB 3.67Å; A740-M836 HydrophobicContact CB-CG 4.28Å; M743-M836 HydrophobicContact CB-CE 3.89Å; M743-M836 HydrophobicContact CE-CE 3.78Å; M743-M836 HydrophobicContact SD-CE 4.13Å; L744-M836 HydrophobicContact CD2-CE 4.32Å; L762-M836 HydrophobicContact CD2-CE 4.07Å; L762-M836 HydrophobicContact CD2-SD 3.52Å; L762-M836 VanDerWaalsContact CD2-SD 3.52Å; N834-M836 PolarHBondContact O-N 2.77Å; M836-S840 WeakPolarHBondContact O-CB 3.34Å; M836-S840 PolarHBondContact O-N 3.23Å; M836-S840 VanDerWaalsContact O-N 3.14Å; M836-S840 PolarHBondContact O-OG 3.14Å |
| 837 | G | 93 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.6 | -43.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | E736 N834 W835 L839 S840 Q841 | E736-G837 WeakPolarHBondContact OE2-CA 3.39Å; N834-G837 PolarHBondContact O-N 3.2Å; W835-G837 VanDerWaalsContact C-N 3.33Å; W835-G837 PolarHBondContact O-N 2.99Å; G837-L839 PolarHBondContact O-N 3.13Å; G837-S840 PolarHBondContact O-N 2.95Å; G837-S840 PolarHBondContact O-OG 2.72Å; G837-Q841 PolarHBondContact O-N 2.99Å |
| 838 | I | 95.9 | Very high | 94 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 179.7 | -68.5 | 166.9 | 0 | 0 | 0 | 112.1 | N834 W835 G842 L843 L886 Q965 | N834-I838 HydrophobicContact CB-CD1 3.99Å; N834-I838 WeakPolarHBondContact O-CG1 3.48Å; N834-I838 PolarHBondContact O-N 2.82Å; W835-I838 HydrophobicContact CE3-CB 4.31Å; W835-I838 HydrophobicContact CE3-CD1 4.33Å; W835-I838 HydrophobicContact CE3-CG2 4.1Å; W835-I838 HydrophobicContact CZ3-CD1 4.45Å; W835-I838 HydrophobicContact CZ3-CG2 4.03Å; W835-I838 PolarHBondContact O-N 3.32Å; I838-G842 CarbonylContact O-C 3.5Å; I838-G842 WeakPolarHBondContact O-CA 3.42Å; I838-G842 PolarHBondContact O-N 2.75Å; I838-L843 HydrophobicContact CD1-CD2 4.31Å; I838-L843 HydrophobicContact CG1-CD2 4.2Å; I838-L843 HydrophobicContact CG2-CD2 3.77Å; I838-L843 HydrophobicContact CG2-CG 4.39Å; I838-L886 HydrophobicContact CG2-CD2 4.28Å; I838-Q965 PolarHBondContact O-NE2 3.35Å; I838-Q965 VanDerWaalsContact O-NE2 3.12Å |
| 839 | L | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.5 | -45.6 | 178.5 | -68 | 169.6 | 0 | 0 | 0 | 110.3 | I634 L762 T764 L766 V804 R806 W835 G837 L968 | I634-L839 HydrophobicContact CD1-CD1 3.96Å; L762-L839 HydrophobicContact CD1-CD1 4.31Å; L762-L839 HydrophobicContact CD2-CB 4.19Å; T764-L839 HydrophobicContact CG2-CD2 4.48Å; T764-L839 PolarHBondContact OG1-O 3.17Å; L766-L839 HydrophobicContact CD1-CD1 4.23Å; L766-L839 HydrophobicContact CD2-CD2 4.3Å; V804-L839 HydrophobicContact CG1-CD2 4.49Å; R806-L839 PolarHBondContact NE-O 3.45Å; W835-L839 VanDerWaalsContact O-CB 3.29Å; W835-L839 WeakPolarHBondContact O-CB 3.42Å; W835-L839 WeakPolarHBondContact O-CG 3.25Å; W835-L839 PolarHBondContact O-N 3.23Å; G837-L839 PolarHBondContact O-N 3.13Å; L839-L968 HydrophobicContact CD1-CD2 4.37Å; L839-L968 HydrophobicContact CD2-CD2 4.47Å |
| 840 | S | 95.1 | Very high | 92.6 | Very high | 15 Ų | 15 | 26.2 Ų | 26.2 | 11% | 0.105 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.3 | -53.2 | 179.1 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | M743 L762 R806 M836 G837 | M743-S840 VanDerWaalsContact CE-CB 3.48Å; L762-S840 VanDerWaalsContact O-CA 3.24Å; L762-S840 WeakPolarHBondContact O-CA 3.45Å; R806-S840 PolarHBondContact NH2-O 2.95Å; M836-S840 WeakPolarHBondContact O-CB 3.34Å; M836-S840 PolarHBondContact O-N 3.23Å; M836-S840 VanDerWaalsContact O-N 3.14Å; M836-S840 PolarHBondContact O-OG 3.14Å; G837-S840 PolarHBondContact O-N 2.95Å; G837-S840 PolarHBondContact O-OG 2.72Å |
| 841 | Q | 93.9 | Very high | 91.9 | Very high | 95 Ų | 95 | 25.5 Ų | 25.5 | 44% | 0.444 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -104.9 | -19.8 | -170.1 | -59 | -164.6 | 11 | 0 | 0 | 113.9 | L739 R806 G837 | L739-Q841 HydrophobicContact CD2-CG 4.04Å; R806-Q841 PolarHBondContact NH2-O 2.73Å; G837-Q841 PolarHBondContact O-N 2.99Å |
| 842 | G | 95.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | trans | 102.1 | 178.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R806 I838 R844 | R806-G842 VanDerWaalsContact CZ-N 3.28Å; I838-G842 CarbonylContact O-C 3.5Å; I838-G842 WeakPolarHBondContact O-CA 3.42Å; I838-G842 PolarHBondContact O-N 2.75Å; G842-R844 PolarHBondContact O-N 2.86Å | ||
| 843 | L | 96.4 | Very high | 90.2 | Very high | 15 Ų | 15 | 26.3 Ų | 26.3 | 8% | 0.079 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -69.6 | 124.7 | 166.7 | -65 | 179.8 | 0 | 0 | 0 | 108.8 | H828 I838 I861 F863 L886 V963 | H828-L843 HydrophobicContact CB-CD1 4.34Å; H828-L843 WeakPolarHBondContact NE2-CD2 3.34Å; I838-L843 HydrophobicContact CD1-CD2 4.31Å; I838-L843 HydrophobicContact CG1-CD2 4.2Å; I838-L843 HydrophobicContact CG2-CD2 3.77Å; I838-L843 HydrophobicContact CG2-CG 4.39Å; L843-I861 HydrophobicContact CB-CD1 3.92Å; L843-I861 HydrophobicContact CB-CG1 4.37Å; L843-I861 HydrophobicContact CB-CG2 3.84Å; L843-I861 HydrophobicContact CD1-CG2 3.71Å; L843-I861 HydrophobicContact CG-CG2 4.33Å; L843-F863 HydrophobicContact CD1-CE1 3.78Å; L843-F863 HydrophobicContact CD1-CZ 3.77Å; L843-L886 HydrophobicContact CD1-CD2 4.1Å; L843-L886 HydrophobicContact CD2-CD2 4.48Å; L843-L886 HydrophobicContact CG-CD2 4.32Å; L843-V963 HydrophobicContact CD1-CG1 4.18Å |
| 844 | R | 93.7 | Very high | 89.3 | Confident | 93 Ų | 93 | 27 Ų | 27 | 35% | 0.351 | 15% | 0.153 | S | C | . | . | trans | -111.8 | 152.4 | -177.4 | -66 | 176.7 | -66.6 | -163.3 | 2.8 | 110 | E736 G842 | E736-R844 IonicContact OE1-CZ 2.72Å; E736-R844 IonicContact OE1-NE 3.51Å; E736-R844 IonicContact OE1-NH2 3.61Å; E736-R844 PolarHBondContact OE1-NH2 2.9Å; E736-R844 IonicContact OE2-NH2 3.78Å; E736-R844 PolarHBondContact OE2-NH2 3.33Å; G842-R844 PolarHBondContact O-N 2.86Å | ||
| 845 | I | 93.3 | Very high | 88.8 | Confident | 52 Ų | 52 | 27.5 Ų | 27.5 | 27% | 0.267 | 15% | 0.154 | S | C | . | . | P | Polyproline II helix | trans | -81.9 | 142.2 | 168.6 | -61.1 | 172.1 | 0 | 0 | 0 | 107.4 | K859 I861 Y958 V960 | I845-K859 HydrophobicContact CG2-CB 3.87Å; I845-I861 HydrophobicContact CG1-CG1 4.02Å; I845-Y958 VanDerWaalsContact CD1-C 3.45Å; I845-Y958 WeakPolarHBondContact CD1-O 3.29Å; I845-V960 HydrophobicContact CD1-CG1 4.44Å; I845-V960 HydrophobicContact CG1-CG1 4.32Å |
| 846 | A | 88.6 | Confident | 88.3 | Confident | 17 Ų | 17 | 31 Ų | 31 | 14% | 0.14 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -49.8 | 141.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A850 Y855 K859 | A846-A850 HydrophobicContact CB-CB 4.29Å; A846-Y855 HydrophobicContact CB-CE1 4.15Å; A846-Y855 HydrophobicContact CB-CE2 4.1Å; A846-Y855 WeakPolarHBondContact CB-OH 3.33Å; A846-K859 HydrophobicContact CB-CB 4.37Å; A846-K859 HydrophobicContact CB-CD 4.32Å; A846-K859 HydrophobicContact CB-CG 4.24Å |
| 847 | P | 87.2 | Confident | 88.3 | Confident | 27 Ų | 27 | 31 Ų | 31 | 18% | 0.175 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -69.6 | 160.7 | -169.2 | 34 | -39.8 | 0 | 0 | 0 | 111.8 | Y668 D849 A850 K859 | Y668-P847 HydrophobicContact CD2-CG 4.3Å; Y668-P847 HydrophobicContact CE2-CG 4.1Å; P847-D849 VanDerWaalsContact C-N 3.27Å; P847-D849 WeakPolarHBondContact CB-OD1 3.26Å; P847-D849 WeakPolarHBondContact CG-OD1 3.12Å; P847-D849 PolarHBondContact O-N 3.4Å; P847-A850 HydrophobicContact CG-CB 4.18Å; P847-A850 WeakPolarHBondContact O-CB 3.35Å; P847-A850 PolarHBondContact O-N 3.44Å; P847-K859 PolarHBondContact O-NZ 2.92Å |
| 848 | P | 85 | Confident | 88.2 | Confident | 123 Ų | 123 | 31.1 Ų | 31.1 | 80% | 0.799 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -32.5 | -171.2 | -26.2 | 35.7 | 0 | 0 | 0 | 115 | K859 | P848-K859 PolarHBondContact O-NZ 3.17Š|
| 849 | D | 84.1 | Confident | 88 | Confident | 20 Ų | 20 | 33.1 Ų | 33.1 | 11% | 0.107 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -25.5 | 175.6 | 52.9 | -46.2 | 0 | 0 | 0 | 113.8 | H665 Y668 D669 P847 | H665-D849 VanDerWaalsContact CA-OD2 3.32Å; H665-D849 WeakPolarHBondContact CA-OD2 3.28Å; H665-D849 IonicContact CE1-OD1 3.15Å; H665-D849 IonicContact CE1-OD2 3.63Å; H665-D849 IonicContact CG-OD2 2.66Å; H665-D849 IonicContact ND1-OD1 3.04Å; H665-D849 PolarHBondContact ND1-OD1 2.8Å; H665-D849 IonicContact ND1-OD2 2.9Å; H665-D849 PolarHBondContact ND1-OD2 2.93Å; Y668-D849 WeakPolarHBondContact CB-OD2 3.33Å; D669-D849 VanDerWaalsContact OD1-CB 3.29Å; D669-D849 WeakPolarHBondContact OD1-CB 3.22Å; P847-D849 VanDerWaalsContact C-N 3.27Å; P847-D849 WeakPolarHBondContact CB-OD1 3.26Å; P847-D849 WeakPolarHBondContact CG-OD1 3.12Å; P847-D849 PolarHBondContact O-N 3.4Å |
| 850 | A | 83.1 | Confident | 87.8 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -59.6 | 143.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y668 A846 P847 K859 | Y668-A850 HydrophobicContact CD1-CB 3.64Å; Y668-A850 HydrophobicContact CE1-CB 3.76Å; Y668-A850 HydrophobicContact CG-CB 4.25Å; A846-A850 HydrophobicContact CB-CB 4.29Å; P847-A850 HydrophobicContact CG-CB 4.18Å; P847-A850 WeakPolarHBondContact O-CB 3.35Å; P847-A850 PolarHBondContact O-N 3.44Å; A850-K859 WeakPolarHBondContact O-CE 3.3Å; A850-K859 PolarHBondContact O-NZ 3.16Å |
| 851 | P | 82.1 | Confident | 87.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -67.5 | 141 | 175.6 | -10.2 | 22.4 | 0 | 0 | 0 | 110.5 | L671 N672 I728 T853 Y855 | L671-P851 HydrophobicContact CB-CG 3.59Å; N672-P851 HydrophobicContact CB-CB 4.44Å; N672-P851 HydrophobicContact CB-CG 4.27Å; I728-P851 HydrophobicContact CD1-CB 3.71Å; I728-P851 HydrophobicContact CD1-CG 3.44Å; I728-P851 VanDerWaalsContact CD1-CG 3.44Å; I728-P851 HydrophobicContact CG1-CG 3.77Å; P851-T853 PolarHBondContact O-N 3.4Å; P851-Y855 WeakPolarHBondContact O-CD2 3.42Å; P851-Y855 WeakPolarHBondContact O-CE2 3.17Å | ||
| 852 | V | 81.9 | Confident | 88.1 | Confident | 61 Ų | 61 | 30.8 Ų | 30.8 | 37% | 0.37 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -63.8 | -23.7 | 167.6 | 77.1 | 0 | 0 | 0 | 0 | 111.6 | G854 Y855 A903 | V852-G854 PolarHBondContact O-N 3.25Å; V852-Y855 PolarHBondContact O-N 2.88Å; V852-A903 HydrophobicContact CG2-CB 3.84Å |
| 853 | T | 72.6 | Confident | 88.2 | Confident | 15 Ų | 15 | 31 Ų | 31 | 9% | 0.092 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 87.3 | -179.9 | -65.4 | 0 | 0 | 0 | 0 | 111.9 | S675 K721 T725 I728 P851 | S675-T853 WeakPolarHBondContact OG-CB 3.38Å; S675-T853 PolarHBondContact OG-OG1 2.97Å; K721-T853 HydrophobicContact CB-CG2 4.15Å; K721-T853 HydrophobicContact CD-CG2 3.81Å; K721-T853 HydrophobicContact CG-CG2 3.55Å; T725-T853 PolarHBondContact OG1-O 3.48Å; I728-T853 WeakPolarHBondContact CD1-O 3.01Å; P851-T853 PolarHBondContact O-N 3.4Å |
| 854 | G | 73.5 | Confident | 88.3 | Confident | 18 Ų | 18 | 30.3 Ų | 30.3 | 19% | 0.186 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 157.7 | -25.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T725 V852 | T725-G854 VanDerWaalsContact OG1-CA 3.28Å; T725-G854 WeakPolarHBondContact OG1-CA 3.29Å; V852-G854 PolarHBondContact O-N 3.25Å |
| 855 | Y | 83.7 | Confident | 88.5 | Confident | 19 Ų | 19 | 25.9 Ų | 25.9 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | trans | -95.3 | 120.9 | 174.3 | -47.8 | -76.5 | 0 | 0 | 0 | 109.7 | I728 E732 A846 P851 V852 F857 G858 K859 Y862 | I728-Y855 HydrophobicContact CG2-CE2 4.27Å; I728-Y855 VanDerWaalsContact CG2-OH 3.25Å; I728-Y855 WeakPolarHBondContact CG2-OH 3.48Å; E732-Y855 WeakPolarHBondContact OE1-CE1 3.29Å; E732-Y855 VanDerWaalsContact OE1-CZ 3.25Å; E732-Y855 PolarHBondContact OE1-OH 2.75Å; A846-Y855 HydrophobicContact CB-CE1 4.15Å; A846-Y855 HydrophobicContact CB-CE2 4.1Å; A846-Y855 WeakPolarHBondContact CB-OH 3.33Å; P851-Y855 WeakPolarHBondContact O-CD2 3.42Å; P851-Y855 WeakPolarHBondContact O-CE2 3.17Å; V852-Y855 PolarHBondContact O-N 2.88Å; Y855-F857 PolarHBondContact O-N 2.8Å; Y855-G858 WeakPolarHBondContact CB-O 3.38Å; Y855-G858 PolarHBondContact O-N 3Å; Y855-K859 HydrophobicContact CD2-CG 3.95Å; Y855-K859 HydrophobicContact CE2-CG 4.04Å; Y855-Y862 WeakPolarHBondContact CB-OH 2.98Å; Y855-Y862 HydrophobicContact CD1-CE2 4.47Å | ||
| 856 | M | 86.1 | Confident | 88.7 | Confident | 72 Ų | 72 | 23.4 Ų | 23.4 | 36% | 0.355 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -31.7 | -176.2 | -167.8 | 176.4 | -56.6 | 0 | 0 | 112.4 | Y862 A901 D902 L950 | M856-Y862 PolarHBondContact N-OH 2.95Å; M856-A901 HydrophobicContact CG-CB 3.38Å; M856-A901 CarbonylContact O-C 3.53Å; M856-A901 WeakPolarHBondContact O-CA 3.43Å; M856-A901 HydrophobicContact SD-CB 4.26Å; M856-D902 CarbonylContact O-C 3.58Å; M856-D902 PolarHBondContact O-N 2.85Å; M856-L950 HydrophobicContact CE-CD2 3.83Å; M856-L950 HydrophobicContact SD-CD2 3.47Å; M856-L950 WeakPolarHBondContact SD-CD2 3.11Å; M856-L950 HydrophobicContact SD-CG 4.14Å |
| 857 | F | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 26 | -173.5 | -66.8 | -61.8 | 0 | 0 | 0 | 112.7 | Y855 Y862 C898 Q900 D902 R913 L950 E954 I956 Y958 | Y855-F857 PolarHBondContact O-N 2.8Å; F857-Y862 WeakPolarHBondContact CA-OH 3.45Å; F857-Y862 HydrophobicContact CB-CE1 4.23Å; F857-Y862 WeakPolarHBondContact CB-OH 3.31Å; F857-Y862 HydrophobicContact CD2-CE1 4.12Å; F857-Y862 PolarHBondContact N-OH 3.17Å; F857-C898 HydrophobicContact CD1-CB 4.38Å; F857-C898 HydrophobicContact CE1-CB 3.67Å; F857-C898 HydrophobicContact CZ-CB 4.48Å; F857-Q900 WeakPolarHBondContact CE1-O 3.47Å; F857-D902 VanDerWaalsContact CA-O 3.29Å; F857-D902 WeakPolarHBondContact CA-O 3.26Å; F857-R913 VanDerWaalsContact CD1-CD 3.44Å; F857-R913 HydrophobicContact CD1-CG 4.31Å; F857-L950 HydrophobicContact CE2-CD1 3.92Å; F857-L950 HydrophobicContact CZ-CD1 3.76Å; F857-E954 HydrophobicContact CE2-CB 4.41Å; F857-I956 HydrophobicContact CB-CD1 3.78Å; F857-I956 HydrophobicContact CB-CG1 3.95Å; F857-I956 HydrophobicContact CD2-CD1 3.46Å; F857-I956 VanDerWaalsContact CD2-CD1 3.46Å; F857-I956 HydrophobicContact CD2-CG1 4.28Å; F857-I956 HydrophobicContact CE2-CD1 4.28Å; F857-I956 HydrophobicContact CG-CD1 3.76Å; F857-I956 HydrophobicContact CG-CG1 4.45Å; F857-Y958 WeakPolarHBondContact O-CE1 3.39Å; F857-Y958 PolarHBondContact O-OH 3.46Å |
| 858 | G | 90.8 | Very high | 89.6 | Confident | 4 Ų | 4 | 21.3 Ų | 21.3 | 4% | 0.041 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 76.7 | 179.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y855 G860 Y862 | Y855-G858 WeakPolarHBondContact CB-O 3.38Å; Y855-G858 PolarHBondContact O-N 3Å; G858-G860 PolarHBondContact O-N 3.12Å; G858-Y862 PolarHBondContact N-OH 2.92Å; G858-Y862 WeakPolarHBondContact O-CE2 3.46Å; G858-Y862 PolarHBondContact O-OH 3.26Å |
| 859 | K | 92.1 | Very high | 90.2 | Very high | 48 Ų | 48 | 16.4 Ų | 16.4 | 21% | 0.209 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -74.6 | 113.8 | -175.8 | -58.4 | 179.1 | -173.9 | -176.3 | 0 | 110.3 | I845 A846 P847 P848 A850 Y855 Y958 | I845-K859 HydrophobicContact CG2-CB 3.87Å; A846-K859 HydrophobicContact CB-CB 4.37Å; A846-K859 HydrophobicContact CB-CD 4.32Å; A846-K859 HydrophobicContact CB-CG 4.24Å; P847-K859 PolarHBondContact O-NZ 2.92Å; P848-K859 PolarHBondContact O-NZ 3.17Å; A850-K859 WeakPolarHBondContact O-CE 3.3Å; A850-K859 PolarHBondContact O-NZ 3.16Å; Y855-K859 HydrophobicContact CD2-CG 3.95Å; Y855-K859 HydrophobicContact CE2-CG 4.04Å; K859-Y958 VanDerWaalsContact O-CD1 3.25Å; K859-Y958 WeakPolarHBondContact O-CD1 3.49Å |
| 860 | G | 94.2 | Very high | 90.8 | Very high | 10 Ų | 10 | 15.7 Ų | 15.7 | 10% | 0.103 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -162.5 | -176.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G858 Y862 V957 | G858-G860 PolarHBondContact O-N 3.12Å; G860-Y862 WeakPolarHBondContact O-CD2 3.2Å; G860-V957 CarbonylContact C-O 3.59Å; G860-V957 VanDerWaalsContact CA-O 3.32Å; G860-V957 WeakPolarHBondContact CA-O 3.4Å |
| 861 | I | 96.7 | Very high | 91.5 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121 | 173.1 | -53.2 | 169.5 | 0 | 0 | 0 | 107.8 | L843 I845 F863 I956 V957 V960 V963 | L843-I861 HydrophobicContact CB-CD1 3.92Å; L843-I861 HydrophobicContact CB-CG1 4.37Å; L843-I861 HydrophobicContact CB-CG2 3.84Å; L843-I861 HydrophobicContact CD1-CG2 3.71Å; L843-I861 HydrophobicContact CG-CG2 4.33Å; I845-I861 HydrophobicContact CG1-CG1 4.02Å; I861-F863 HydrophobicContact CB-CE2 3.94Å; I861-F863 HydrophobicContact CB-CZ 4.37Å; I861-F863 HydrophobicContact CG2-CD2 4.29Å; I861-F863 HydrophobicContact CG2-CE1 4.31Å; I861-F863 HydrophobicContact CG2-CE2 3.42Å; I861-F863 VanDerWaalsContact CG2-CE2 3.42Å; I861-F863 HydrophobicContact CG2-CZ 3.43Å; I861-F863 VanDerWaalsContact CG2-CZ 3.43Å; I861-I956 WeakPolarHBondContact O-CA 3.49Å; I861-V957 HydrophobicContact CB-CG2 3.91Å; I861-V957 HydrophobicContact CD1-CG2 4.4Å; I861-V957 PolarHBondContact N-O 3.14Å; I861-V957 PolarHBondContact O-N 3.4Å; I861-V957 VanDerWaalsContact O-N 3.16Å; I861-V960 HydrophobicContact CD1-CG1 4.18Å; I861-V963 HydrophobicContact CD1-CG2 3.84Å |
| 862 | Y | 97.2 | Very high | 92.2 | Very high | 47 Ų | 47 | 19 Ų | 19 | 18% | 0.184 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 134.6 | -174.5 | -74.3 | -113.5 | 0 | 0 | 0 | 111.1 | H828 Y855 M856 F857 G858 G860 E954 I956 | H828-Y862 PolarHBondContact ND1-O 3.47Å; Y855-Y862 WeakPolarHBondContact CB-OH 2.98Å; Y855-Y862 HydrophobicContact CD1-CE2 4.47Å; M856-Y862 PolarHBondContact N-OH 2.95Å; F857-Y862 WeakPolarHBondContact CA-OH 3.45Å; F857-Y862 HydrophobicContact CB-CE1 4.23Å; F857-Y862 WeakPolarHBondContact CB-OH 3.31Å; F857-Y862 HydrophobicContact CD2-CE1 4.12Å; F857-Y862 PolarHBondContact N-OH 3.17Å; G858-Y862 PolarHBondContact N-OH 2.92Å; G858-Y862 WeakPolarHBondContact O-CE2 3.46Å; G858-Y862 PolarHBondContact O-OH 3.26Å; G860-Y862 WeakPolarHBondContact O-CD2 3.2Å; Y862-E954 HydrophobicContact CD1-CG 4.35Å; Y862-I956 HydrophobicContact CD1-CD1 4.36Å; Y862-I956 HydrophobicContact CD1-CG1 3.61Å; Y862-I956 HydrophobicContact CD2-CG1 4.35Å; Y862-I956 HydrophobicContact CD2-CG2 4.27Å; Y862-I956 HydrophobicContact CE1-CD1 4.23Å; Y862-I956 HydrophobicContact CE1-CG1 3.56Å; Y862-I956 HydrophobicContact CE2-CG1 4.28Å; Y862-I956 HydrophobicContact CE2-CG2 4.02Å; Y862-I956 HydrophobicContact CG-CG1 4.01Å |
| 863 | F | 98.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.018 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 157.6 | 176.9 | -59.9 | -85.8 | 0 | 0 | 0 | 111.2 | L826 W827 H828 L843 I861 C888 V890 E954 Y955 V957 V963 | L826-F863 HydrophobicContact CB-CB 3.7Å; L826-F863 HydrophobicContact CB-CD1 4.21Å; L826-F863 HydrophobicContact CB-CG 4.18Å; L826-F863 HydrophobicContact CD1-CB 3.95Å; L826-F863 HydrophobicContact CG-CB 4.49Å; W827-F863 WeakPolarHBondContact O-CA 3.29Å; H828-F863 HydrophobicContact CB-CD1 3.96Å; H828-F863 HydrophobicContact CB-CE1 4.02Å; L843-F863 HydrophobicContact CD1-CE1 3.78Å; L843-F863 HydrophobicContact CD1-CZ 3.77Å; I861-F863 HydrophobicContact CB-CE2 3.94Å; I861-F863 HydrophobicContact CB-CZ 4.37Å; I861-F863 HydrophobicContact CG2-CD2 4.29Å; I861-F863 HydrophobicContact CG2-CE1 4.31Å; I861-F863 HydrophobicContact CG2-CE2 3.42Å; I861-F863 VanDerWaalsContact CG2-CE2 3.42Å; I861-F863 HydrophobicContact CG2-CZ 3.43Å; I861-F863 VanDerWaalsContact CG2-CZ 3.43Å; F863-C888 HydrophobicContact CD1-CB 4.4Å; F863-C888 HydrophobicContact CE1-CB 3.6Å; F863-C888 HydrophobicContact CZ-CB 4.17Å; F863-V890 HydrophobicContact CD1-CG2 3.99Å; F863-V890 HydrophobicContact CD2-CG1 4.25Å; F863-V890 HydrophobicContact CD2-CG2 3.94Å; F863-V890 HydrophobicContact CE1-CG2 3.83Å; F863-V890 HydrophobicContact CE2-CG1 4.09Å; F863-V890 HydrophobicContact CE2-CG2 3.75Å; F863-V890 HydrophobicContact CG-CG2 4.05Å; F863-V890 HydrophobicContact CZ-CG2 3.7Å; F863-E954 WeakPolarHBondContact O-CA 3.14Å; F863-Y955 PolarHBondContact N-O 3.28Å; F863-Y955 PolarHBondContact O-N 2.9Å; F863-V957 HydrophobicContact CE2-CG2 3.92Å; F863-V963 HydrophobicContact CE1-CG1 4.47Å; F863-V963 HydrophobicContact CE2-CG2 3.89Å; F863-V963 HydrophobicContact CZ-CB 4.44Å; F863-V963 HydrophobicContact CZ-CG1 3.75Å; F863-V963 HydrophobicContact CZ-CG2 3.75Å |
| 864 | A | 98.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 21 Ų | 21 | 2% | 0.017 | 10% | 0.104 | C | C | . | . | B | Isolated β-bridge | trans | -129.7 | 155.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | W827 K869 S870 | W827-A864 WeakPolarHBondContact CB-O 3.38Å; W827-A864 PolarHBondContact N-O 2.89Å; W827-A864 PolarHBondContact O-N 2.91Å; A864-K869 HydrophobicContact CB-CB 4.19Å; A864-K869 HydrophobicContact CB-CD 4.04Å; A864-K869 HydrophobicContact CB-CG 4.14Å; A864-S870 WeakPolarHBondContact CB-OG 3.46Å |
| 865 | D | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -94.5 | -5.3 | 170.9 | 52.6 | 6.4 | 0 | 0 | 0 | 112.5 | Y782 L826 P921 P936 N953 Y955 | Y782-D865 WeakPolarHBondContact CE2-O 3.43Å; L826-D865 HydrophobicContact CD2-CB 4.09Å; D865-P921 HydrophobicContact CB-CG 3.88Å; D865-P921 WeakPolarHBondContact OD2-CD 3.24Å; D865-P936 HydrophobicContact CB-CB 4.42Å; D865-P936 HydrophobicContact CB-CG 3.94Å; D865-N953 WeakPolarHBondContact OD2-CB 3.4Å; D865-N953 PolarHBondContact OD2-ND2 2.99Å; D865-Y955 HydrophobicContact CB-CE2 3.81Å; D865-Y955 WeakPolarHBondContact OD2-CE2 3.24Å; D865-Y955 PolarHBondContact OD2-OH 2.66Å |
| 866 | I | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -108.1 | 111.3 | 177.4 | -64.3 | -64.2 | 0 | 0 | 0 | 109.1 | T786 S868 K869 P921 P940 Y952 | T786-I866 VanDerWaalsContact O-CG2 3.27Å; T786-I866 WeakPolarHBondContact O-CG2 3.46Å; I866-S868 VanDerWaalsContact C-N 3.27Å; I866-S868 WeakPolarHBondContact CG2-OG 3.34Å; I866-S868 PolarHBondContact O-N 3.38Å; I866-K869 HydrophobicContact CB-CB 4.25Å; I866-K869 HydrophobicContact CG2-CB 4.16Å; I866-K869 WeakPolarHBondContact O-CB 3.25Å; I866-K869 PolarHBondContact O-N 3.35Å; I866-P921 HydrophobicContact CD1-CG 3.87Å; I866-P940 HydrophobicContact CD1-CB 4.08Å; I866-P940 HydrophobicContact CD1-CG 3.93Å; I866-Y952 HydrophobicContact CB-CD1 4.37Å; I866-Y952 HydrophobicContact CG1-CD1 3.81Å; I866-Y952 HydrophobicContact CG1-CE1 4.49Å; I866-Y952 HydrophobicContact CG1-CG 4.31Å; I866-Y952 HydrophobicContact CG2-CD1 4.12Å; I866-Y952 HydrophobicContact CG2-CE1 4.22Å; I866-Y952 HydrophobicContact CG2-CG 4.43Å |
| 867 | V | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55.1 | -43 | -174.2 | 69.7 | 0 | 0 | 0 | 0 | 112.3 | V783 T786 L796 W827 K869 S870 A871 L885 | V783-V867 HydrophobicContact CG1-CG1 4.48Å; V783-V867 HydrophobicContact CG2-CG2 4.28Å; V783-V867 WeakPolarHBondContact O-CG1 3.49Å; T786-V867 PolarHBondContact O-N 2.99Å; T786-V867 PolarHBondContact OG1-N 3.09Å; L796-V867 HydrophobicContact CD1-CG1 4.13Å; L796-V867 HydrophobicContact CD1-CG2 4.1Å; W827-V867 HydrophobicContact CD2-CB 4.21Å; W827-V867 HydrophobicContact CD2-CG2 3.91Å; W827-V867 HydrophobicContact CE3-CG2 4.19Å; W827-V867 HydrophobicContact CG-CB 4.36Å; W827-V867 HydrophobicContact CG-CG2 4.43Å; W827-V867 HydrophobicContact CH2-CG2 4.28Å; W827-V867 HydrophobicContact CZ2-CB 4.29Å; W827-V867 HydrophobicContact CZ2-CG2 4.02Å; W827-V867 HydrophobicContact CZ3-CG2 4.35Å; V867-K869 PolarHBondContact O-N 2.96Å; V867-S870 PolarHBondContact O-N 3.36Å; V867-A871 WeakPolarHBondContact O-CB 3.31Å; V867-A871 PolarHBondContact O-N 3.19Å; V867-L885 HydrophobicContact CG2-CD1 3.59Å |
| 868 | S | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.4 | -26.6 | -176.7 | 62.5 | 0 | 0 | 0 | 0 | 112.8 | G788 H791 Y794 I866 A871 N872 | G788-S868 PolarHBondContact N-OG 3.03Å; H791-S868 WeakPolarHBondContact ND1-CB 3.24Å; H791-S868 PolarHBondContact ND1-OG 3.37Å; Y794-S868 PolarHBondContact OH-O 2.8Å; I866-S868 VanDerWaalsContact C-N 3.27Å; I866-S868 WeakPolarHBondContact CG2-OG 3.34Å; I866-S868 PolarHBondContact O-N 3.38Å; S868-A871 PolarHBondContact O-N 3.41Å; S868-N872 PolarHBondContact O-N 2.91Å; S868-N872 PolarHBondContact O-ND2 3.25Å |
| 869 | K | 96.7 | Very high | 95.4 | Very high | 20 Ų | 20 | 35.8 Ų | 35.8 | 9% | 0.087 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68 | -49.2 | 175 | 177.4 | 167.7 | 178.1 | -176 | 0 | 110.1 | A864 I866 V867 A871 N872 Y873 Y952 N953 E954 | A864-K869 HydrophobicContact CB-CB 4.19Å; A864-K869 HydrophobicContact CB-CD 4.04Å; A864-K869 HydrophobicContact CB-CG 4.14Å; I866-K869 HydrophobicContact CB-CB 4.25Å; I866-K869 HydrophobicContact CG2-CB 4.16Å; I866-K869 WeakPolarHBondContact O-CB 3.25Å; I866-K869 PolarHBondContact O-N 3.35Å; V867-K869 PolarHBondContact O-N 2.96Å; K869-A871 VanDerWaalsContact C-N 3.32Å; K869-N872 PolarHBondContact O-N 2.87Å; K869-Y873 VanDerWaalsContact O-CD2 3.24Å; K869-Y873 WeakPolarHBondContact O-CD2 3.28Å; K869-Y873 WeakPolarHBondContact O-CE2 3.28Å; K869-Y952 HydrophobicContact CD-CD2 4.18Å; K869-Y952 HydrophobicContact CD-CG 4.33Å; K869-Y952 PolarHBondContact NZ-O 3.49Å; K869-N953 PolarHBondContact NZ-O 2.76Å; K869-E954 WeakPolarHBondContact CE-OE1 3.13Å; K869-E954 VanDerWaalsContact NZ-CG 3.27Å; K869-E954 IonicContact NZ-OE1 2.7Å; K869-E954 PolarHBondContact NZ-OE1 3.36Å |
| 870 | S | 97.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.6 | -36.7 | 174 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | W827 G829 A864 V867 N872 Y873 | W827-S870 WeakPolarHBondContact CB-OG 3.48Å; W827-S870 PolarHBondContact O-OG 3.18Å; G829-S870 WeakPolarHBondContact CA-O 3.39Å; A864-S870 WeakPolarHBondContact CB-OG 3.46Å; V867-S870 PolarHBondContact O-N 3.36Å; S870-N872 VanDerWaalsContact C-N 3.28Å; S870-N872 PolarHBondContact O-N 3.17Å; S870-Y873 WeakPolarHBondContact O-CB 3.01Å; S870-Y873 PolarHBondContact O-N 3.4Å |
| 871 | A | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.8 | -31.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y794 L796 V867 S868 K869 Y873 C874 L885 F973 | Y794-A871 HydrophobicContact CE2-CB 4.37Å; L796-A871 HydrophobicContact CD1-CB 3.98Å; L796-A871 HydrophobicContact CD2-CB 4.4Å; V867-A871 WeakPolarHBondContact O-CB 3.31Å; V867-A871 PolarHBondContact O-N 3.19Å; S868-A871 PolarHBondContact O-N 3.41Å; K869-A871 VanDerWaalsContact C-N 3.32Å; A871-Y873 PolarHBondContact O-N 3.25Å; A871-C874 VanDerWaalsContact O-CB 3.26Å; A871-C874 WeakPolarHBondContact O-CB 3.34Å; A871-C874 PolarHBondContact O-N 3.04Å; A871-C874 PolarHBondContact O-SG 3.08Å; A871-L885 HydrophobicContact CB-CD1 4.28Å; A871-L885 HydrophobicContact CB-CD2 4.37Å; A871-F973 HydrophobicContact CB-CE1 3.9Å; A871-F973 HydrophobicContact CB-CZ 3.74Å; A871-F973 WeakPolarHBondContact O-CZ 3.43Å |
| 872 | N | 95.9 | Very high | 95.4 | Very high | 69 Ų | 69 | 40.5 Ų | 40.5 | 37% | 0.369 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -62.3 | -25.5 | 174.3 | -74.7 | -46.4 | 0 | 0 | 0 | 113 | H791 Y794 S868 K869 S870 C874 F875 | H791-N872 PolarHBondContact CD2-ND2 3.27Å; H791-N872 PolarHBondContact CE1-ND2 3.42Å; H791-N872 PolarHBondContact NE2-ND2 2.8Å; Y794-N872 WeakPolarHBondContact CE1-OD1 3.36Å; Y794-N872 PolarHBondContact OH-OD1 3.3Å; Y794-N872 VanDerWaalsContact OH-OD1 3.04Å; S868-N872 PolarHBondContact O-N 2.91Å; S868-N872 PolarHBondContact O-ND2 3.25Å; K869-N872 PolarHBondContact O-N 2.87Å; S870-N872 VanDerWaalsContact C-N 3.28Å; S870-N872 PolarHBondContact O-N 3.17Å; N872-C874 PolarHBondContact O-N 3.14Å; N872-F875 PolarHBondContact O-N 3.31Å |
| 873 | Y | 94.7 | Very high | 95.4 | Very high | 111 Ų | 111 | 38.4 Ų | 38.4 | 44% | 0.435 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -78.9 | -3 | 175.9 | -63.6 | -90.9 | 0 | 0 | 0 | 113.2 | G829 S830 R831 K869 S870 A871 F875 | G829-Y873 VanDerWaalsContact O-CB 3.24Å; G829-Y873 WeakPolarHBondContact O-CB 3.14Å; S830-Y873 CarbonylContact C-O 3.49Å; S830-Y873 VanDerWaalsContact CA-O 3.29Å; S830-Y873 WeakPolarHBondContact CA-O 3.41Å; R831-Y873 PolarHBondContact N-O 2.9Å; K869-Y873 VanDerWaalsContact O-CD2 3.24Å; K869-Y873 WeakPolarHBondContact O-CD2 3.28Å; K869-Y873 WeakPolarHBondContact O-CE2 3.28Å; S870-Y873 WeakPolarHBondContact O-CB 3.01Å; S870-Y873 PolarHBondContact O-N 3.4Å; A871-Y873 PolarHBondContact O-N 3.25Å; Y873-F875 VanDerWaalsContact C-N 3.28Å; Y873-F875 WeakPolarHBondContact O-CD2 3.27Å |
| 874 | C | 96.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -74.2 | -20.5 | 170 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | A871 N872 T876 L884 F973 | A871-C874 VanDerWaalsContact O-CB 3.26Å; A871-C874 WeakPolarHBondContact O-CB 3.34Å; A871-C874 PolarHBondContact O-N 3.04Å; A871-C874 PolarHBondContact O-SG 3.08Å; N872-C874 PolarHBondContact O-N 3.14Å; C874-T876 HydrophobicContact CB-CG2 3.89Å; C874-T876 PolarHBondContact O-N 3.11Å; C874-L884 PolarHBondContact SG-O 2.64Å; C874-F973 HydrophobicContact CB-CE2 4.21Å; C874-F973 HydrophobicContact CB-CZ 3.94Å |
| 875 | F | 92.7 | Very high | 95.4 | Very high | 110 Ų | 110 | 38.2 Ų | 38.2 | 48% | 0.482 | 20% | 0.195 | S | C | . | . | trans | 50.4 | 36.9 | -176.5 | -64.1 | -92.5 | 0 | 0 | 0 | 114.1 | R831 N872 Y873 | R831-F875 HydrophobicContact CG-CB 4.17Å; R831-F875 HydrophobicContact CG-CD2 3.48Å; R831-F875 VanDerWaalsContact CG-CD2 3.48Å; R831-F875 HydrophobicContact CG-CE2 4.22Å; R831-F875 HydrophobicContact CG-CG 4.14Å; N872-F875 PolarHBondContact O-N 3.31Å; Y873-F875 VanDerWaalsContact C-N 3.28Å; Y873-F875 WeakPolarHBondContact O-CD2 3.27Å | ||
| 876 | T | 94 | Very high | 95.5 | Very high | 19 Ų | 19 | 38.2 Ų | 38.2 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | trans | -67.2 | 163.5 | 176.1 | 60.6 | 0 | 0 | 0 | 0 | 110.8 | C874 Q880 E882 F973 Y975 | C874-T876 HydrophobicContact CB-CG2 3.89Å; C874-T876 PolarHBondContact O-N 3.11Å; T876-Q880 WeakPolarHBondContact CB-O 3.22Å; T876-E882 VanDerWaalsContact CG2-O 3.26Å; T876-E882 WeakPolarHBondContact CG2-O 3.3Å; T876-F973 HydrophobicContact CG2-CD2 3.63Å; T876-F973 HydrophobicContact CG2-CE2 3.52Å; T876-F973 HydrophobicContact CG2-CG 4.33Å; T876-F973 HydrophobicContact CG2-CZ 4.13Å; T876-F973 VanDerWaalsContact OG1-CD1 3.26Å; T876-F973 WeakPolarHBondContact OG1-CD1 3.36Å; T876-F973 VanDerWaalsContact OG1-CD2 3.28Å; T876-F973 WeakPolarHBondContact OG1-CD2 3.4Å; T876-F973 WeakPolarHBondContact OG1-CG 3.34Å; T876-Y975 PolarHBondContact O-OH 3.15Å; T876-Y975 PolarHBondContact OG1-OH 3.34Å | ||
| 877 | T | 91.1 | Very high | 95.5 | Very high | 50 Ų | 50 | 38.2 Ų | 38.2 | 31% | 0.307 | 20% | 0.195 | S | C | . | . | trans | -138 | 171.3 | 178.5 | 61.2 | 0 | 0 | 0 | 0 | 109.9 | S879 Q880 P881 Y975 | T877-S879 PolarHBondContact O-N 2.82Å; T877-S879 PolarHBondContact OG1-OG 2.74Å; T877-Q880 PolarHBondContact N-O 3.05Å; T877-Q880 CarbonylContact O-C 3.6Å; T877-Q880 PolarHBondContact O-N 2.81Å; T877-Q880 VanDerWaalsContact O-N 3.17Å; T877-Q880 PolarHBondContact OG1-N 3.14Å; T877-P881 VanDerWaalsContact O-CA 3.3Å; T877-P881 WeakPolarHBondContact O-CA 3.29Å; T877-Y975 VanDerWaalsContact C-CE2 3.43Å; T877-Y975 WeakPolarHBondContact O-CE2 3.1Å | ||
| 878 | Q | 90.9 | Very high | 95.5 | Very high | 150 Ų | 150 | 38.2 Ų | 38.2 | 70% | 0.701 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -58.7 | -33.2 | 174.3 | -71.3 | 179.3 | -4.2 | 0 | 0 | 112.7 | Y975 | Q878-Y975 HydrophobicContact CG-CD2 4Å; Q878-Y975 HydrophobicContact CG-CG 3.84Å |
| 879 | S | 88.8 | Confident | 95.6 | Very high | 95 Ų | 95 | 39.3 Ų | 39.3 | 66% | 0.664 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -84 | -19.1 | 178.4 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | T877 | T877-S879 PolarHBondContact O-N 2.82Å; T877-S879 PolarHBondContact OG1-OG 2.74Å |
| 880 | Q | 89.7 | Confident | 95.7 | Very high | 67 Ų | 67 | 38.3 Ų | 38.3 | 31% | 0.313 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -135.2 | 79.1 | 174.5 | -73.4 | 176.4 | -29.6 | 0 | 0 | 108.9 | T876 T877 | T876-Q880 WeakPolarHBondContact CB-O 3.22Å; T877-Q880 PolarHBondContact N-O 3.05Å; T877-Q880 CarbonylContact O-C 3.6Å; T877-Q880 PolarHBondContact O-N 2.81Å; T877-Q880 VanDerWaalsContact O-N 3.17Å; T877-Q880 PolarHBondContact OG1-N 3.14Å |
| 881 | P | 95.3 | Very high | 95.7 | Very high | 34 Ų | 34 | 38.1 Ų | 38.1 | 22% | 0.221 | 20% | 0.195 | C | C | . | . | trans | -85.7 | -4.1 | -169.3 | 33.7 | -36.7 | 0 | 0 | 0 | 113.6 | T877 K972 F973 | T877-P881 VanDerWaalsContact O-CA 3.3Å; T877-P881 WeakPolarHBondContact O-CA 3.29Å; P881-K972 HydrophobicContact CB-CG 4.38Å; P881-K972 HydrophobicContact CG-CG 4.5Å; P881-F973 WeakPolarHBondContact CB-O 3.45Å; P881-F973 WeakPolarHBondContact O-CB 3.45Å; P881-F973 VanDerWaalsContact O-CD2 3.3Å; P881-F973 WeakPolarHBondContact O-CD2 3.49Å; P881-F973 PolarHBondContact O-N 2.95Å | ||
| 882 | E | 97 | Very high | 95.7 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 29% | 0.285 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 140.6 | -179.4 | -66.2 | -173.5 | -153.3 | 0 | 0 | 111.6 | F633 L799 T876 R970 V971 | F633-E882 HydrophobicContact CE2-CB 3.91Å; F633-E882 HydrophobicContact CZ-CB 4.29Å; F633-E882 WeakPolarHBondContact CZ-O 3.2Å; L799-E882 HydrophobicContact CD1-CG 4.12Å; T876-E882 VanDerWaalsContact CG2-O 3.26Å; T876-E882 WeakPolarHBondContact CG2-O 3.3Å; E882-R970 IonicContact OE2-CZ 3.89Å; E882-R970 IonicContact OE2-NE 2.7Å; E882-R970 PolarHBondContact OE2-NE 2.95Å; E882-R970 IonicContact OE2-NH2 3.92Å; E882-R970 PolarHBondContact OE2-NH2 3.17Å; E882-V971 WeakPolarHBondContact CA-O 3.38Å |
| 883 | G | 97.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 170.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | V971 | G883-V971 PolarHBondContact N-O 3.07Å; G883-V971 PolarHBondContact O-N 3.33Å |
| 884 | L | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142.9 | 175.9 | -68.6 | 167.9 | 0 | 0 | 0 | 109.4 | L630 F633 I634 W835 C874 L968 V969 R970 | L630-L884 HydrophobicContact CD1-CD1 3.79Å; L630-L884 HydrophobicContact CD1-CD2 3.67Å; L630-L884 HydrophobicContact CD1-CG 4.38Å; F633-L884 HydrophobicContact CD1-CD1 3.88Å; F633-L884 HydrophobicContact CD1-CG 4.22Å; F633-L884 HydrophobicContact CE1-CD1 3.81Å; F633-L884 HydrophobicContact CE1-CG 3.83Å; I634-L884 HydrophobicContact CG2-CD1 3.54Å; W835-L884 HydrophobicContact CB-CD1 4.09Å; W835-L884 HydrophobicContact CD2-CB 3.93Å; W835-L884 HydrophobicContact CD2-CD1 3.97Å; W835-L884 VanDerWaalsContact CE2-CB 3.41Å; W835-L884 HydrophobicContact CG-CB 4.27Å; W835-L884 HydrophobicContact CG-CD1 3.58Å; W835-L884 HydrophobicContact CH2-CB 4.47Å; W835-L884 HydrophobicContact CZ2-CB 3.73Å; W835-L884 WeakPolarHBondContact CZ2-O 3.47Å; C874-L884 PolarHBondContact SG-O 2.64Å; L884-L968 HydrophobicContact CB-CD1 4.24Å; L884-L968 HydrophobicContact CD2-CD1 4.41Å; L884-L968 HydrophobicContact CD2-CD2 4.2Å; L884-L968 HydrophobicContact CD2-CG 4.13Å; L884-V969 WeakPolarHBondContact CA-O 3.21Å; L884-R970 HydrophobicContact CD2-CB 3.68Å; L884-R970 HydrophobicContact CD2-CG 3.87Å |
| 885 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 146.4 | 175.5 | -73.6 | 170.3 | 0 | 0 | 0 | 108.6 | W827 V867 A871 V969 V971 | W827-L885 HydrophobicContact CE3-CB 4.08Å; W827-L885 HydrophobicContact CZ3-CB 4.07Å; V867-L885 HydrophobicContact CG2-CD1 3.59Å; A871-L885 HydrophobicContact CB-CD1 4.28Å; A871-L885 HydrophobicContact CB-CD2 4.37Å; L885-V969 HydrophobicContact CB-CB 4.38Å; L885-V969 PolarHBondContact N-O 3.11Å; L885-V969 PolarHBondContact O-N 3.06Å; L885-V971 HydrophobicContact CD1-CG1 4.22Å; L885-V971 HydrophobicContact CD1-CG2 4.12Å; L885-V971 HydrophobicContact CG-CG2 4.45Å |
| 886 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.9 | -179.8 | -172.5 | 70.9 | 0 | 0 | 0 | 109.8 | V804 W827 H828 W835 I838 L843 C888 Q965 L968 | V804-L886 HydrophobicContact CG2-CD1 4.49Å; W827-L886 CarbonylContact C-O 3.56Å; W827-L886 WeakPolarHBondContact CA-O 3.29Å; H828-L886 HydrophobicContact CB-CB 4.38Å; H828-L886 PolarHBondContact N-O 2.8Å; H828-L886 PolarHBondContact O-N 2.97Å; W835-L886 HydrophobicContact CH2-CB 3.62Å; W835-L886 HydrophobicContact CZ3-CB 3.77Å; W835-L886 HydrophobicContact CZ3-CD1 4.35Å; W835-L886 HydrophobicContact CZ3-CD2 4.2Å; W835-L886 HydrophobicContact CZ3-CG 4.36Å; I838-L886 HydrophobicContact CG2-CD2 4.28Å; L843-L886 HydrophobicContact CD1-CD2 4.1Å; L843-L886 HydrophobicContact CD2-CD2 4.48Å; L843-L886 HydrophobicContact CG-CD2 4.32Å; L886-C888 WeakPolarHBondContact CD2-SG 3.48Å; L886-Q965 HydrophobicContact CD1-CB 4.19Å; L886-Q965 HydrophobicContact CD1-CG 4.47Å; L886-Q965 HydrophobicContact CD2-CB 4.43Å; L886-Q965 HydrophobicContact CD2-CG 3.87Å; L886-L968 HydrophobicContact CD1-CB 4.44Å; L886-L968 HydrophobicContact CD1-CD1 4.12Å |
| 887 | L | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 120.8 | 165.8 | -78.1 | 167.2 | 0 | 0 | 0 | 108.7 | I779 Y782 L825 L826 W827 K966 Y967 V969 | I779-L887 HydrophobicContact CD1-CD1 4.22Å; I779-L887 HydrophobicContact CG1-CD1 3.8Å; I779-L887 HydrophobicContact CG2-CD1 4.02Å; Y782-L887 HydrophobicContact CD1-CD2 4.02Å; Y782-L887 HydrophobicContact CE1-CD2 3.63Å; L825-L887 HydrophobicContact CD1-CB 4.24Å; L825-L887 HydrophobicContact CD2-CB 4.14Å; L825-L887 HydrophobicContact CD2-CD1 3.98Å; L825-L887 HydrophobicContact CD2-CD2 4.09Å; L825-L887 HydrophobicContact CD2-CG 4.3Å; L825-L887 HydrophobicContact CG-CB 4.04Å; L825-L887 HydrophobicContact CG-CD2 4.01Å; L825-L887 HydrophobicContact CG-CG 4.45Å; L826-L887 WeakPolarHBondContact O-CA 3.46Å; W827-L887 HydrophobicContact CD2-CD2 3.44Å; W827-L887 VanDerWaalsContact CD2-CD2 3.44Å; W827-L887 HydrophobicContact CD2-CG 4.03Å; W827-L887 HydrophobicContact CE3-CD1 4.34Å; W827-L887 HydrophobicContact CE3-CD2 3.54Å; W827-L887 HydrophobicContact CE3-CG 3.57Å; W827-L887 HydrophobicContact CG-CD2 4.03Å; W827-L887 HydrophobicContact CH2-CD1 3.48Å; W827-L887 VanDerWaalsContact CH2-CD1 3.48Å; W827-L887 HydrophobicContact CH2-CD2 3.89Å; W827-L887 HydrophobicContact CH2-CG 3.67Å; W827-L887 HydrophobicContact CZ2-CD1 3.96Å; W827-L887 HydrophobicContact CZ2-CD2 3.79Å; W827-L887 HydrophobicContact CZ2-CG 4.1Å; W827-L887 HydrophobicContact CZ3-CD1 3.71Å; W827-L887 HydrophobicContact CZ3-CD2 3.78Å; W827-L887 HydrophobicContact CZ3-CG 3.39Å; L887-K966 PolarHBondContact O-N 2.81Å; L887-Y967 HydrophobicContact CB-CD2 4.14Å; L887-Y967 HydrophobicContact CD1-CD2 4.27Å; L887-Y967 PolarHBondContact N-O 2.8Å; L887-Y967 PolarHBondContact O-N 3.21Å; L887-Y967 VanDerWaalsContact O-N 3.13Å; L887-V969 HydrophobicContact CD1-CG2 4.37Å |
| 888 | C | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 139.9 | 176.8 | -63.3 | 0 | 0 | 0 | 0 | 110.5 | L825 L826 F863 L886 V890 V963 K964 | L825-C888 WeakPolarHBondContact CA-O 3.37Å; L826-C888 PolarHBondContact N-O 2.85Å; L826-C888 PolarHBondContact O-N 2.98Å; F863-C888 HydrophobicContact CD1-CB 4.4Å; F863-C888 HydrophobicContact CE1-CB 3.6Å; F863-C888 HydrophobicContact CZ-CB 4.17Å; L886-C888 WeakPolarHBondContact CD2-SG 3.48Å; C888-V890 HydrophobicContact CB-CG2 3.89Å; C888-V890 PolarHBondContact O-N 3.12Å; C888-V963 HydrophobicContact CB-CG1 3.96Å; C888-K964 CarbonylContact C-O 3.59Å; C888-K964 WeakPolarHBondContact CA-O 3.04Å; C888-K964 WeakPolarHBondContact CB-O 3.29Å |
| 889 | E | 97.9 | Very high | 96.7 | Very high | 23 Ų | 23 | 28.8 Ų | 28.8 | 11% | 0.107 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 116.4 | 160.2 | -169.5 | -172.5 | 153.5 | 0 | 0 | 107.3 | F813 K823 V933 K964 | F813-E889 HydrophobicContact CE1-CG 4.2Å; F813-E889 WeakPolarHBondContact CE1-OE1 3.34Å; F813-E889 HydrophobicContact CE2-CG 4.48Å; F813-E889 VanDerWaalsContact CE2-O 3.3Å; F813-E889 WeakPolarHBondContact CE2-O 3.47Å; F813-E889 HydrophobicContact CZ-CB 4.12Å; F813-E889 VanDerWaalsContact CZ-CD 3.49Å; F813-E889 HydrophobicContact CZ-CG 3.64Å; F813-E889 VanDerWaalsContact CZ-OE1 3.29Å; F813-E889 WeakPolarHBondContact CZ-OE1 3.45Å; K823-E889 WeakPolarHBondContact CD-OE1 3.41Å; K823-E889 IonicContact NZ-OE1 3.68Å; E889-V933 HydrophobicContact CG-CG1 4.06Å; E889-V933 HydrophobicContact CG-CG2 3.8Å; E889-K964 HydrophobicContact CB-CB 4.34Å; E889-K964 PolarHBondContact N-O 3Å; E889-K964 PolarHBondContact O-N 3.09Å |
| 890 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.4 | -175.2 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | K823 Q824 L826 F863 C888 L892 V957 Q962 | K823-V890 WeakPolarHBondContact CA-O 3.17Å; Q824-V890 PolarHBondContact N-O 2.68Å; Q824-V890 PolarHBondContact O-N 3.04Å; L826-V890 HydrophobicContact CB-CG2 4.37Å; L826-V890 HydrophobicContact CD1-CB 4.28Å; L826-V890 HydrophobicContact CD1-CG2 4.33Å; F863-V890 HydrophobicContact CD1-CG2 3.99Å; F863-V890 HydrophobicContact CD2-CG1 4.25Å; F863-V890 HydrophobicContact CD2-CG2 3.94Å; F863-V890 HydrophobicContact CE1-CG2 3.83Å; F863-V890 HydrophobicContact CE2-CG1 4.09Å; F863-V890 HydrophobicContact CE2-CG2 3.75Å; F863-V890 HydrophobicContact CG-CG2 4.05Å; F863-V890 HydrophobicContact CZ-CG2 3.7Å; C888-V890 HydrophobicContact CB-CG2 3.89Å; C888-V890 PolarHBondContact O-N 3.12Å; V890-L892 HydrophobicContact CB-CD2 4.45Å; V890-L892 HydrophobicContact CG1-CD2 3.77Å; V890-L892 HydrophobicContact CG1-CG 4.44Å; V890-L892 PolarHBondContact O-N 3.33Å; V890-V957 HydrophobicContact CG1-CG1 3.53Å; V890-V957 HydrophobicContact CG1-CG2 4.47Å; V890-Q962 WeakPolarHBondContact CA-O 3.44Å |
| 891 | I | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 100.1 | 172.9 | -56.9 | 170.4 | 0 | 0 | 0 | 108.1 | F813 C816 A819 K823 Q962 | F813-I891 HydrophobicContact CD1-CD1 4.5Å; F813-I891 HydrophobicContact CD2-CD1 4.09Å; F813-I891 HydrophobicContact CD2-CG1 4.42Å; F813-I891 HydrophobicContact CE1-CD1 4.09Å; F813-I891 HydrophobicContact CE1-CG1 4.24Å; F813-I891 HydrophobicContact CE2-CD1 3.68Å; F813-I891 HydrophobicContact CE2-CG1 3.55Å; F813-I891 HydrophobicContact CG-CD1 4.49Å; F813-I891 HydrophobicContact CZ-CD1 3.67Å; F813-I891 HydrophobicContact CZ-CG1 3.42Å; F813-I891 VanDerWaalsContact CZ-CG1 3.42Å; C816-I891 HydrophobicContact CB-CD1 4.02Å; A819-I891 HydrophobicContact CB-CG2 3.69Å; A819-I891 WeakPolarHBondContact O-CG2 3.43Å; K823-I891 HydrophobicContact CG-CG1 4.23Å; I891-Q962 HydrophobicContact CB-CB 4.26Å; I891-Q962 HydrophobicContact CB-CG 4.43Å; I891-Q962 PolarHBondContact N-O 2.92Å; I891-Q962 PolarHBondContact O-NE2 2.92Å |
| 892 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -82.1 | -33.6 | 179.8 | -60.2 | 174.5 | 0 | 0 | 0 | 112 | N822 Q824 L826 V890 M895 S912 Y955 V957 | N822-L892 WeakPolarHBondContact O-CB 3.28Å; N822-L892 PolarHBondContact O-N 2.87Å; Q824-L892 HydrophobicContact CB-CD1 4.1Å; Q824-L892 HydrophobicContact CG-CD1 3.68Å; L826-L892 HydrophobicContact CD1-CD1 4.33Å; L826-L892 HydrophobicContact CD1-CD2 4.21Å; V890-L892 HydrophobicContact CB-CD2 4.45Å; V890-L892 HydrophobicContact CG1-CD2 3.77Å; V890-L892 HydrophobicContact CG1-CG 4.44Å; V890-L892 PolarHBondContact O-N 3.33Å; L892-M895 HydrophobicContact CB-CG 4.06Å; L892-M895 HydrophobicContact CB-SD 4.1Å; L892-M895 HydrophobicContact CD1-SD 3.79Å; L892-M895 HydrophobicContact CG-SD 4.47Å; L892-S912 WeakPolarHBondContact CA-OG 3.38Å; L892-S912 VanDerWaalsContact O-CB 3.29Å; L892-S912 WeakPolarHBondContact O-CB 3.36Å; L892-S912 PolarHBondContact O-OG 2.94Å; L892-Y955 HydrophobicContact CD1-CD1 3.7Å; L892-Y955 HydrophobicContact CD1-CE1 4.08Å; L892-Y955 HydrophobicContact CD1-CG 4.48Å; L892-Y955 HydrophobicContact CD2-CD1 4.12Å; L892-Y955 HydrophobicContact CD2-CG 4.38Å; L892-V957 HydrophobicContact CD2-CG1 4.4Å | ||
| 893 | G | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | trans | 55.7 | -139.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H821 N822 M895 | H821-G893 WeakPolarHBondContact O-CA 3.42Å; H821-G893 PolarHBondContact O-N 2.97Å; H821-G893 VanDerWaalsContact O-N 3.16Å; N822-G893 PolarHBondContact ND2-O 2.74Å; G893-M895 PolarHBondContact O-N 3.06Å | ||
| 894 | D | 97.9 | Very high | 95.7 | Very high | 76 Ų | 76 | 32.7 Ų | 32.7 | 41% | 0.406 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -81.3 | 118.7 | 176.4 | -55.9 | -45.9 | 0 | 0 | 0 | 108.5 | H821 Y910 H911 | H821-D894 IonicContact CD2-OD1 3.86Å; H821-D894 IonicContact CE1-OD1 2.83Å; H821-D894 IonicContact CE1-OD2 3.83Å; H821-D894 IonicContact NE2-OD1 2.62Å; H821-D894 PolarHBondContact NE2-OD1 3.34Å; H821-D894 IonicContact NE2-OD2 2.9Å; H821-D894 PolarHBondContact NE2-OD2 2.86Å; D894-Y910 HydrophobicContact CB-CD1 4.18Å; D894-Y910 CarbonylContact O-C 3.6Å; D894-Y910 WeakPolarHBondContact O-CA 3.3Å; D894-Y910 WeakPolarHBondContact O-CB 3.38Å; D894-H911 PolarHBondContact N-ND1 3.49Å; D894-H911 VanDerWaalsContact N-ND1 3.18Å; D894-H911 PolarHBondContact O-N 3.23Å; D894-H911 IonicContact OD2-CE1 3.93Å; D894-H911 PolarHBondContact OD2-CE1 2.73Å; D894-H911 IonicContact OD2-ND1 2.69Å |
| 895 | M | 97.8 | Very high | 95.3 | Very high | 38 Ų | 38 | 40 Ų | 40 | 19% | 0.187 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 131.5 | -172.5 | -61.1 | -176.8 | -69.5 | 0 | 0 | 111 | L892 G893 E897 Y910 S912 K914 Y955 | L892-M895 HydrophobicContact CB-CG 4.06Å; L892-M895 HydrophobicContact CB-SD 4.1Å; L892-M895 HydrophobicContact CD1-SD 3.79Å; L892-M895 HydrophobicContact CG-SD 4.47Å; G893-M895 PolarHBondContact O-N 3.06Å; M895-E897 PolarHBondContact O-N 3.01Å; M895-Y910 WeakPolarHBondContact O-CD1 3.29Å; M895-Y910 WeakPolarHBondContact O-CE1 3.42Å; M895-S912 WeakPolarHBondContact CG-OG 3.28Å; M895-K914 HydrophobicContact CB-CB 4.22Å; M895-K914 HydrophobicContact CE-CD 4.08Å; M895-K914 HydrophobicContact SD-CB 4.07Å; M895-K914 HydrophobicContact SD-CD 4.08Å; M895-Y955 HydrophobicContact SD-CD1 4.12Å; M895-Y955 HydrophobicContact SD-CE1 4.15Å |
| 896 | N | 97.4 | Very high | 95 | Very high | 21 Ų | 21 | 41.9 Ų | 41.9 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 110 | 163.8 | -171.5 | 34.3 | 0 | 0 | 0 | 109 | L906 Y910 S912 R913 K914 | N896-L906 HydrophobicContact CB-CD1 3.79Å; N896-Y910 HydrophobicContact CB-CD1 4.19Å; N896-Y910 HydrophobicContact CB-CD2 3.46Å; N896-Y910 VanDerWaalsContact CB-CD2 3.46Å; N896-Y910 HydrophobicContact CB-CE2 3.83Å; N896-Y910 HydrophobicContact CB-CG 3.65Å; N896-Y910 VanDerWaalsContact OD1-CE2 3.24Å; N896-Y910 WeakPolarHBondContact OD1-CE2 3.45Å; N896-S912 PolarHBondContact N-O 2.55Å; N896-R913 HydrophobicContact CB-CG 4.27Å; N896-R913 CarbonylContact O-C 3.58Å; N896-R913 WeakPolarHBondContact O-CA 3.25Å; N896-R913 VanDerWaalsContact O-CG 3.27Å; N896-R913 WeakPolarHBondContact O-CG 3.1Å; N896-K914 PolarHBondContact O-N 3.15Å |
| 897 | E | 96.4 | Very high | 94.8 | Very high | 109 Ų | 109 | 44 Ų | 44 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 123.1 | -178 | -68.8 | -169.1 | 157.6 | 0 | 0 | 111.7 | M895 K914 I916 | M895-E897 PolarHBondContact O-N 3.01Å; E897-K914 WeakPolarHBondContact CA-O 3.49Å; E897-K914 HydrophobicContact CG-CB 4.41Å; E897-I916 HydrophobicContact CB-CD1 3.79Å; E897-I916 HydrophobicContact CB-CG1 4.29Å; E897-I916 HydrophobicContact CG-CD1 4.14Å |
| 898 | C | 95.5 | Very high | 94.5 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 8% | 0.081 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.8 | -177.5 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | F857 K914 G915 I916 | F857-C898 HydrophobicContact CD1-CB 4.38Å; F857-C898 HydrophobicContact CE1-CB 3.67Å; F857-C898 HydrophobicContact CZ-CB 4.48Å; C898-K914 PolarHBondContact N-O 2.75Å; C898-G915 WeakPolarHBondContact O-CA 3.27Å; C898-I916 PolarHBondContact O-N 2.71Å |
| 899 | L | 94.8 | Very high | 94.3 | Very high | 63 Ų | 63 | 57.2 Ų | 57.2 | 33% | 0.33 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -88.3 | -19 | 175.3 | -55.8 | -177.5 | 0 | 0 | 0 | 113.1 | I916 V945 T949 | L899-I916 HydrophobicContact CD2-CB 4.11Å; L899-I916 HydrophobicContact CD2-CD1 4.05Å; L899-I916 HydrophobicContact CD2-CG2 4.48Å; L899-V945 HydrophobicContact CD2-CG1 3.48Å; L899-V945 VanDerWaalsContact CD2-CG1 3.48Å; L899-T949 PolarHBondContact O-N 2.85Å; L899-T949 PolarHBondContact O-OG1 2.84Å |
| 900 | Q | 92 | Very high | 94.2 | Very high | 123 Ų | 123 | 58.9 Ų | 58.9 | 58% | 0.575 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -133.5 | 159.5 | -177 | -58.6 | -176.7 | 5.2 | 0 | 0 | 109.8 | F857 D902 T949 | F857-Q900 WeakPolarHBondContact CE1-O 3.47Å; Q900-D902 PolarHBondContact O-N 2.93Å; Q900-T949 WeakPolarHBondContact CA-OG1 3.28Å; Q900-T949 HydrophobicContact CG-CG2 3.98Å |
| 901 | A | 88.7 | Confident | 94.2 | Very high | 63 Ų | 63 | 60.7 Ų | 60.7 | 52% | 0.521 | 33% | 0.334 | S | S | . | . | trans | -52.5 | 124.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | M856 | M856-A901 HydrophobicContact CG-CB 3.38Å; M856-A901 CarbonylContact O-C 3.53Å; M856-A901 WeakPolarHBondContact O-CA 3.43Å; M856-A901 HydrophobicContact SD-CB 4.26Å | ||
| 902 | D | 89.7 | Confident | 94.2 | Very high | 55 Ų | 55 | 60.7 Ų | 60.7 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | trans | -144.5 | 107.4 | 177.6 | 175.7 | 14.7 | 0 | 0 | 0 | 108.4 | M856 F857 Q900 S904 R913 | M856-D902 CarbonylContact O-C 3.58Å; M856-D902 PolarHBondContact O-N 2.85Å; F857-D902 VanDerWaalsContact CA-O 3.29Å; F857-D902 WeakPolarHBondContact CA-O 3.26Å; Q900-D902 PolarHBondContact O-N 2.93Å; D902-S904 VanDerWaalsContact OD1-CB 3.22Å; D902-S904 WeakPolarHBondContact OD1-CB 3.49Å; D902-S904 PolarHBondContact OD1-N 3.43Å; D902-S904 PolarHBondContact OD1-OG 3.39Å; D902-S904 PolarHBondContact OD2-OG 3.34Å; D902-S904 VanDerWaalsContact OD2-OG 3.05Å; D902-R913 VanDerWaalsContact CB-NH1 3.27Å; D902-R913 PolarHBondContact O-NH1 3.38Å; D902-R913 IonicContact OD1-NH1 2.63Å; D902-R913 IonicContact OD2-CZ 3.1Å; D902-R913 IonicContact OD2-NH1 3.59Å; D902-R913 PolarHBondContact OD2-NH1 3.21Å | ||
| 903 | A | 86.8 | Confident | 94.2 | Very high | 43 Ų | 43 | 60.7 Ų | 60.7 | 36% | 0.355 | 33% | 0.334 | S | S | . | . | trans | -99.6 | 14.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V852 | V852-A903 HydrophobicContact CG2-CB 3.84Š| ||
| 904 | S | 89.4 | Confident | 94.2 | Very high | 59 Ų | 59 | 62.3 Ų | 62.3 | 41% | 0.413 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -64.5 | 160.7 | 171.4 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | D902 R913 | D902-S904 VanDerWaalsContact OD1-CB 3.22Å; D902-S904 WeakPolarHBondContact OD1-CB 3.49Å; D902-S904 PolarHBondContact OD1-N 3.43Å; D902-S904 PolarHBondContact OD1-OG 3.39Å; D902-S904 PolarHBondContact OD2-OG 3.34Å; D902-S904 VanDerWaalsContact OD2-OG 3.05Å; S904-R913 PolarHBondContact O-NH2 2.88Å |
| 905 | D | 89.4 | Confident | 94.1 | Very high | 155 Ų | 155 | 58.7 Ų | 58.7 | 83% | 0.829 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 143.5 | 171.7 | -65.2 | -31 | 0 | 0 | 0 | 110.8 | P907 R913 | D905-P907 WeakPolarHBondContact O-CD 3.31Å; D905-R913 PolarHBondContact O-NH2 2.95Å |
| 906 | L | 93.6 | Very high | 94.1 | Very high | 39 Ų | 39 | 57.6 Ų | 57.6 | 20% | 0.204 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -63 | 126.5 | 177.6 | -173 | 69.6 | 0 | 0 | 0 | 109.7 | N896 Y910 S912 R913 Y958 | N896-L906 HydrophobicContact CB-CD1 3.79Å; L906-Y910 VanDerWaalsContact CD2-O 3.23Å; L906-Y910 WeakPolarHBondContact CD2-O 3.41Å; L906-S912 WeakPolarHBondContact CD1-O 3.36Å; L906-R913 HydrophobicContact CD1-CB 4.23Å; L906-Y958 HydrophobicContact CB-CD2 4.23Å; L906-Y958 HydrophobicContact CB-CE2 4.2Å; L906-Y958 HydrophobicContact CD1-CE2 4Å; L906-Y958 HydrophobicContact CD2-CD2 3.84Å; L906-Y958 HydrophobicContact CD2-CE2 4.13Å; L906-Y958 HydrophobicContact CG-CD2 4.44Å; L906-Y958 HydrophobicContact CG-CE2 4.35Å |
| 907 | P | 94.3 | Very high | 94 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 28% | 0.279 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 140.9 | 178.5 | -21.9 | 30.8 | 0 | 0 | 0 | 111.1 | D905 K909 Y910 | D905-P907 WeakPolarHBondContact O-CD 3.31Å; P907-K909 PolarHBondContact O-N 3.09Å; P907-Y910 HydrophobicContact CB-CD2 3.84Å; P907-Y910 HydrophobicContact CB-CE2 4.28Å; P907-Y910 HydrophobicContact CG-CD2 3.96Å; P907-Y910 HydrophobicContact CG-CE2 4.28Å; P907-Y910 PolarHBondContact O-N 3.43Å |
| 908 | P | 92.1 | Very high | 93.9 | Very high | 138 Ų | 138 | 53.5 Ų | 53.5 | 90% | 0.896 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -18.4 | -167.8 | -28.3 | 34.4 | 0 | 0 | 0 | 116.9 | Y910 | P908-Y910 VanDerWaalsContact C-N 3.35Š|
| 909 | K | 93.8 | Very high | 93.8 | Very high | 140 Ų | 140 | 54.7 Ų | 54.7 | 61% | 0.609 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -6.6 | 179.3 | 66.9 | 176.1 | -179.4 | 165.3 | 0 | 114.3 | P907 | P907-K909 PolarHBondContact O-N 3.09Š|
| 910 | Y | 97.2 | Very high | 93.9 | Very high | 58 Ų | 58 | 52.6 Ų | 52.6 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | trans | -112.8 | 153.2 | -177.1 | -63.3 | -65 | 0 | 0 | 0 | 110.7 | D894 M895 N896 L906 P907 P908 | D894-Y910 HydrophobicContact CB-CD1 4.18Å; D894-Y910 CarbonylContact O-C 3.6Å; D894-Y910 WeakPolarHBondContact O-CA 3.3Å; D894-Y910 WeakPolarHBondContact O-CB 3.38Å; M895-Y910 WeakPolarHBondContact O-CD1 3.29Å; M895-Y910 WeakPolarHBondContact O-CE1 3.42Å; N896-Y910 HydrophobicContact CB-CD1 4.19Å; N896-Y910 HydrophobicContact CB-CD2 3.46Å; N896-Y910 VanDerWaalsContact CB-CD2 3.46Å; N896-Y910 HydrophobicContact CB-CE2 3.83Å; N896-Y910 HydrophobicContact CB-CG 3.65Å; N896-Y910 VanDerWaalsContact OD1-CE2 3.24Å; N896-Y910 WeakPolarHBondContact OD1-CE2 3.45Å; L906-Y910 VanDerWaalsContact CD2-O 3.23Å; L906-Y910 WeakPolarHBondContact CD2-O 3.41Å; P907-Y910 HydrophobicContact CB-CD2 3.84Å; P907-Y910 HydrophobicContact CB-CE2 4.28Å; P907-Y910 HydrophobicContact CG-CD2 3.96Å; P907-Y910 HydrophobicContact CG-CE2 4.28Å; P907-Y910 PolarHBondContact O-N 3.43Å; P908-Y910 VanDerWaalsContact C-N 3.35Å | ||
| 911 | H | 97.5 | Very high | 94.1 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 18% | 0.181 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -109.6 | -19.1 | -178.9 | -51.5 | 121.2 | 0 | 0 | 0 | 112.4 | I818 A819 H821 D894 Q962 | I818-H911 HydrophobicContact CG2-CB 3.88Å; I818-H911 PolarHBondContact O-CD2 3.41Å; I818-H911 VanDerWaalsContact O-CD2 3.27Å; I818-H911 PolarHBondContact O-NE2 2.72Å; A819-H911 HydrophobicContact CB-CB 4.08Å; H821-H911 AromaticContact CE1-ND1 3.93Å; D894-H911 PolarHBondContact N-ND1 3.49Å; D894-H911 VanDerWaalsContact N-ND1 3.18Å; D894-H911 PolarHBondContact O-N 3.23Å; D894-H911 IonicContact OD2-CE1 3.93Å; D894-H911 PolarHBondContact OD2-CE1 2.73Å; D894-H911 IonicContact OD2-ND1 2.69Å; H911-Q962 PolarHBondContact O-NE2 2.8Å; H911-Q962 PolarHBondContact O-OE1 2.81Å |
| 912 | S | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 173.3 | 177 | 65.1 | 0 | 0 | 0 | 0 | 110.4 | L892 M895 N896 L906 I956 | L892-S912 WeakPolarHBondContact CA-OG 3.38Å; L892-S912 VanDerWaalsContact O-CB 3.29Å; L892-S912 WeakPolarHBondContact O-CB 3.36Å; L892-S912 PolarHBondContact O-OG 2.94Å; M895-S912 WeakPolarHBondContact CG-OG 3.28Å; N896-S912 PolarHBondContact N-O 2.55Å; L906-S912 WeakPolarHBondContact CD1-O 3.36Å; S912-I956 CarbonylContact C-O 3.49Å; S912-I956 WeakPolarHBondContact CA-O 3.47Å; S912-I956 VanDerWaalsContact CB-O 3.24Å; S912-I956 WeakPolarHBondContact CB-O 3.32Å |
| 913 | R | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139.7 | 173.7 | -165.2 | 177.1 | -63.1 | -127.1 | -8.9 | 110 | F857 N896 D902 S904 D905 L906 I956 Y958 | F857-R913 VanDerWaalsContact CD1-CD 3.44Å; F857-R913 HydrophobicContact CD1-CG 4.31Å; N896-R913 HydrophobicContact CB-CG 4.27Å; N896-R913 CarbonylContact O-C 3.58Å; N896-R913 WeakPolarHBondContact O-CA 3.25Å; N896-R913 VanDerWaalsContact O-CG 3.27Å; N896-R913 WeakPolarHBondContact O-CG 3.1Å; D902-R913 VanDerWaalsContact CB-NH1 3.27Å; D902-R913 PolarHBondContact O-NH1 3.38Å; D902-R913 IonicContact OD1-NH1 2.63Å; D902-R913 IonicContact OD2-CZ 3.1Å; D902-R913 IonicContact OD2-NH1 3.59Å; D902-R913 PolarHBondContact OD2-NH1 3.21Å; S904-R913 PolarHBondContact O-NH2 2.88Å; D905-R913 PolarHBondContact O-NH2 2.95Å; L906-R913 HydrophobicContact CD1-CB 4.23Å; R913-I956 HydrophobicContact CB-CB 4.4Å; R913-I956 HydrophobicContact CB-CD1 4.46Å; R913-I956 PolarHBondContact N-O 3.24Å; R913-I956 PolarHBondContact O-N 3.12Å; R913-Y958 HydrophobicContact CB-CE2 3.98Å; R913-Y958 PolarHBondContact NE-OH 2.71Å |
| 914 | K | 97.7 | Very high | 95.1 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 110.7 | 172.4 | -177 | -178.2 | 179.9 | -176.2 | 0 | 109.1 | M895 N896 E897 C898 I916 E954 Y955 | M895-K914 HydrophobicContact CB-CB 4.22Å; M895-K914 HydrophobicContact CE-CD 4.08Å; M895-K914 HydrophobicContact SD-CB 4.07Å; M895-K914 HydrophobicContact SD-CD 4.08Å; N896-K914 PolarHBondContact O-N 3.15Å; E897-K914 WeakPolarHBondContact CA-O 3.49Å; E897-K914 HydrophobicContact CG-CB 4.41Å; C898-K914 PolarHBondContact N-O 2.75Å; K914-I916 HydrophobicContact CD-CG1 4.5Å; K914-I916 HydrophobicContact CG-CG1 4.45Å; K914-I916 PolarHBondContact O-N 3.28Å; K914-E954 CarbonylContact C-O 3.57Å; K914-E954 VanDerWaalsContact CA-O 3.32Å; K914-E954 WeakPolarHBondContact CA-O 3.33Å; K914-Y955 HydrophobicContact CB-CD1 4.44Å; K914-Y955 HydrophobicContact CD-CD1 4.45Å; K914-Y955 HydrophobicContact CD-CE1 3.8Å; K914-Y955 HydrophobicContact CG-CD1 4.12Å; K914-Y955 HydrophobicContact CG-CE1 3.89Å |
| 915 | G | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 110.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | C898 G917 L950 N953 E954 | C898-G915 WeakPolarHBondContact O-CA 3.27Å; G915-G917 PolarHBondContact O-N 3.18Å; G915-L950 VanDerWaalsContact C-CD1 3.45Å; G915-L950 VanDerWaalsContact CA-CD1 3.48Å; G915-N953 CarbonylContact O-C 3.53Å; G915-N953 VanDerWaalsContact O-CA 3.25Å; G915-N953 WeakPolarHBondContact O-CA 3.5Å; G915-E954 PolarHBondContact N-O 2.92Å; G915-E954 PolarHBondContact O-N 3.29Å |
| 916 | I | 96.8 | Very high | 95.6 | Very high | 15 Ų | 15 | 45.5 Ų | 45.5 | 8% | 0.077 | 26% | 0.257 | C | S | . | . | trans | -77.2 | 120.3 | -178.3 | -63 | 179.4 | 0 | 0 | 0 | 108.8 | E897 C898 L899 K914 V945 T948 | E897-I916 HydrophobicContact CB-CD1 3.79Å; E897-I916 HydrophobicContact CB-CG1 4.29Å; E897-I916 HydrophobicContact CG-CD1 4.14Å; C898-I916 PolarHBondContact O-N 2.71Å; L899-I916 HydrophobicContact CD2-CB 4.11Å; L899-I916 HydrophobicContact CD2-CD1 4.05Å; L899-I916 HydrophobicContact CD2-CG2 4.48Å; K914-I916 HydrophobicContact CD-CG1 4.5Å; K914-I916 HydrophobicContact CG-CG1 4.45Å; K914-I916 PolarHBondContact O-N 3.28Å; I916-V945 HydrophobicContact CG2-CB 3.98Å; I916-V945 HydrophobicContact CG2-CG1 4.02Å; I916-V945 HydrophobicContact CG2-CG2 3.92Å; I916-T948 WeakPolarHBondContact O-CB 3.41Å; I916-T948 PolarHBondContact O-OG1 3.19Å | ||
| 917 | G | 95.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 160.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | G915 V919 S943 L950 Y952 N953 | G915-G917 PolarHBondContact O-N 3.18Å; G917-V919 PolarHBondContact O-N 3.1Å; G917-S943 VanDerWaalsContact O-CB 3.3Å; G917-S943 WeakPolarHBondContact O-CB 3.44Å; G917-S943 PolarHBondContact O-OG 3.5Å; G917-L950 CarbonylContact C-O 3.55Å; G917-L950 WeakPolarHBondContact CA-O 3.17Å; G917-Y952 VanDerWaalsContact CA-C 3.48Å; G917-N953 PolarHBondContact N-OD1 2.97Å |
| 918 | S | 94.3 | Very high | 95.9 | Very high | 44 Ų | 44 | 48 Ų | 48 | 31% | 0.308 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | -22.6 | 170.5 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | S943 L950 C951 | S918-S943 WeakPolarHBondContact CA-OG 3.46Å; S918-S943 WeakPolarHBondContact O-CB 3.17Å; S918-S943 PolarHBondContact O-N 3.02Å; S918-S943 PolarHBondContact O-OG 3.38Å; S918-L950 PolarHBondContact N-O 2.8Å; S918-C951 PolarHBondContact N-O 2.99Å; S918-C951 PolarHBondContact OG-O 3.45Å; S918-C951 VanDerWaalsContact OG-O 3.11Å |
| 919 | V | 94.6 | Very high | 95.9 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 22% | 0.218 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | G917 P940 I941 C951 Y952 | G917-V919 PolarHBondContact O-N 3.1Å; V919-P940 HydrophobicContact CG1-CB 3.29Å; V919-I941 VanDerWaalsContact CA-O 3.29Å; V919-I941 WeakPolarHBondContact CA-O 3.45Å; V919-C951 VanDerWaalsContact CB-O 3.32Å; V919-C951 WeakPolarHBondContact CB-O 3.48Å; V919-C951 PolarHBondContact N-O 3.13Å; V919-Y952 HydrophobicContact CB-CD1 3.78Å; V919-Y952 HydrophobicContact CB-CE1 3.98Å; V919-Y952 HydrophobicContact CG1-CD1 3.97Å; V919-Y952 HydrophobicContact CG1-CE1 3.93Å; V919-Y952 HydrophobicContact CG2-CE1 4.41Å |
| 920 | T | 95.9 | Very high | 95.9 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 149.4 | 176.3 | -170.5 | 0 | 0 | 0 | 0 | 109.8 | I941 N953 | T920-I941 HydrophobicContact CG2-CG1 4.12Å; T920-I941 PolarHBondContact N-O 3.16Å; T920-I941 WeakPolarHBondContact O-CG1 3.42Å; T920-I941 PolarHBondContact O-N 3.26Å; T920-N953 PolarHBondContact OG1-ND2 2.81Å |
| 921 | P | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 141.9 | 167 | -16.5 | 29.1 | 0 | 0 | 0 | 109.9 | D865 I866 P923 F926 P936 | D865-P921 HydrophobicContact CB-CG 3.88Å; D865-P921 WeakPolarHBondContact OD2-CD 3.24Å; I866-P921 HydrophobicContact CD1-CG 3.87Å; P921-P923 WeakPolarHBondContact O-CD 3.11Å; P921-P923 VanDerWaalsContact O-N 3.13Å; P921-F926 HydrophobicContact CB-CE1 4.03Å; P921-P936 WeakPolarHBondContact CB-O 3.43Å |
| 922 | D | 96.3 | Very high | 95.4 | Very high | 44 Ų | 44 | 48.4 Ų | 48.4 | 24% | 0.235 | 28% | 0.276 | C | S | . | . | trans | -54.9 | 113 | 179.1 | -173.7 | -16.2 | 0 | 0 | 0 | 111.4 | S924 T925 F926 K939 I941 | D922-S924 PolarHBondContact O-N 2.94Å; D922-S924 VanDerWaalsContact O-N 3.15Å; D922-S924 WeakPolarHBondContact OD1-CB 3.43Å; D922-S924 PolarHBondContact OD1-N 3.49Å; D922-S924 PolarHBondContact OD1-OG 2.91Å; D922-S924 PolarHBondContact OD2-OG 3.32Å; D922-T925 PolarHBondContact O-N 3.31Å; D922-T925 PolarHBondContact O-OG1 3.4Å; D922-F926 VanDerWaalsContact O-CD1 3.25Å; D922-F926 WeakPolarHBondContact O-CD1 3.43Å; D922-F926 WeakPolarHBondContact O-CE1 3.47Å; D922-K939 PolarHBondContact N-O 3.03Å; D922-I941 HydrophobicContact CB-CD1 4.08Å; D922-I941 HydrophobicContact CB-CG1 4.35Å; D922-I941 HydrophobicContact CB-CG2 4.25Å | ||
| 923 | P | 94.5 | Very high | 95.3 | Very high | 77 Ų | 77 | 48.6 Ų | 48.6 | 50% | 0.5 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -61.5 | -23.2 | -178.7 | -24.5 | 36.1 | 0 | 0 | 0 | 114.1 | P921 T925 F926 | P921-P923 WeakPolarHBondContact O-CD 3.11Å; P921-P923 VanDerWaalsContact O-N 3.13Å; P923-T925 PolarHBondContact O-N 3.25Å; P923-F926 HydrophobicContact CB-CE1 4.48Å; P923-F926 HydrophobicContact CB-CZ 4.46Å; P923-F926 PolarHBondContact O-N 3.46Å |
| 924 | S | 94.8 | Very high | 95.3 | Very high | 100 Ų | 100 | 49.8 Ų | 49.8 | 70% | 0.699 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -71.3 | -17.7 | -179.5 | 71.7 | 0 | 0 | 0 | 0 | 113.5 | D922 | D922-S924 PolarHBondContact O-N 2.94Å; D922-S924 VanDerWaalsContact O-N 3.15Å; D922-S924 WeakPolarHBondContact OD1-CB 3.43Å; D922-S924 PolarHBondContact OD1-N 3.49Å; D922-S924 PolarHBondContact OD1-OG 2.91Å; D922-S924 PolarHBondContact OD2-OG 3.32Å |
| 925 | T | 94.9 | Very high | 95.3 | Very high | 70 Ų | 70 | 48.3 Ų | 48.3 | 43% | 0.429 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -102.6 | 5 | 179.9 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | D922 P923 H927 I937 G938 | D922-T925 PolarHBondContact O-N 3.31Å; D922-T925 PolarHBondContact O-OG1 3.4Å; P923-T925 PolarHBondContact O-N 3.25Å; T925-H927 PolarHBondContact O-N 3.05Å; T925-I937 CarbonylContact C-O 3.53Å; T925-I937 VanDerWaalsContact C-O 3.27Å; T925-I937 VanDerWaalsContact CB-O 3.29Å; T925-I937 WeakPolarHBondContact CB-O 3.49Å; T925-I937 PolarHBondContact OG1-O 3.21Å; T925-G938 WeakPolarHBondContact OG1-CA 3.48Å |
| 926 | F | 95.9 | Very high | 95.3 | Very high | 59 Ų | 59 | 48.3 Ų | 48.3 | 26% | 0.259 | 28% | 0.277 | S | S | . | . | trans | -61.2 | 129.1 | 179.1 | -77.5 | 18.3 | 0 | 0 | 0 | 110.8 | P921 D922 P923 V934 P936 | P921-F926 HydrophobicContact CB-CE1 4.03Å; D922-F926 VanDerWaalsContact O-CD1 3.25Å; D922-F926 WeakPolarHBondContact O-CD1 3.43Å; D922-F926 WeakPolarHBondContact O-CE1 3.47Å; P923-F926 HydrophobicContact CB-CE1 4.48Å; P923-F926 HydrophobicContact CB-CZ 4.46Å; P923-F926 PolarHBondContact O-N 3.46Å; F926-V934 HydrophobicContact CB-CG1 4.04Å; F926-V934 HydrophobicContact CD2-CG1 3.49Å; F926-V934 VanDerWaalsContact CD2-CG1 3.49Å; F926-V934 HydrophobicContact CE2-CG1 4.25Å; F926-V934 HydrophobicContact CG-CG1 4.06Å; F926-P936 HydrophobicContact CD1-CB 4Å; F926-P936 HydrophobicContact CD2-CB 4.28Å; F926-P936 HydrophobicContact CE1-CB 3.54Å; F926-P936 HydrophobicContact CE2-CB 3.82Å; F926-P936 HydrophobicContact CG-CB 4.36Å; F926-P936 HydrophobicContact CZ-CB 3.42Å; F926-P936 VanDerWaalsContact CZ-CB 3.42Å | ||
| 927 | H | 96.2 | Very high | 95.2 | Very high | 56 Ų | 56 | 48.4 Ų | 48.4 | 26% | 0.259 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 129.9 | 174.6 | 174.1 | 88.5 | 0 | 0 | 0 | 109.1 | E774 T925 V934 Y935 | E774-H927 IonicContact OE1-CE1 3.9Å; T925-H927 PolarHBondContact O-N 3.05Å; H927-V934 CarbonylContact O-C 3.45Å; H927-Y935 PolarHBondContact N-O 2.83Å; H927-Y935 WeakPolarHBondContact O-CB 3.24Å; H927-Y935 PolarHBondContact O-N 3.27Å |
| 928 | T | 96.2 | Very high | 95.1 | Very high | 79 Ų | 79 | 48.5 Ų | 48.5 | 49% | 0.485 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 123.3 | 174.7 | -55.5 | 0 | 0 | 0 | 0 | 109 | V933 V934 | T928-V933 WeakPolarHBondContact CA-O 3.25Å; T928-V934 HydrophobicContact CG2-CG2 4.31Å |
| 929 | N | 93.5 | Very high | 95 | Very high | 34 Ų | 34 | 53 Ų | 53 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | trans | -77.1 | 173.7 | -179.8 | 78 | 2.5 | 0 | 0 | 0 | 111.7 | D931 G932 V933 Y935 | N929-D931 PolarHBondContact O-N 3.03Å; N929-D931 VanDerWaalsContact O-N 3.12Å; N929-D931 WeakPolarHBondContact OD1-CA 2.98Å; N929-D931 PolarHBondContact OD1-N 3.31Å; N929-G932 PolarHBondContact O-N 3.43Å; N929-G932 PolarHBondContact OD1-N 2.92Å; N929-V933 PolarHBondContact N-O 2.73Å; N929-V933 WeakPolarHBondContact OD1-CB 3.49Å; N929-V933 PolarHBondContact OD1-N 2.96Å; N929-Y935 HydrophobicContact CB-CE2 4.03Å | ||
| 930 | K | 92.7 | Very high | 95 | Very high | 198 Ų | 198 | 53.2 Ų | 53.2 | 86% | 0.861 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.3 | 179.4 | 65.2 | -177.6 | -179.8 | -177.8 | 0 | 114.9 | G932 | K930-G932 VanDerWaalsContact C-N 3.3Š|
| 931 | D | 89.9 | Confident | 95 | Very high | 111 Ų | 111 | 55.4 Ų | 55.4 | 59% | 0.594 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 2.5 | -179.9 | -57.6 | -45.8 | 0 | 0 | 0 | 112 | N929 V933 | N929-D931 PolarHBondContact O-N 3.03Å; N929-D931 VanDerWaalsContact O-N 3.12Å; N929-D931 WeakPolarHBondContact OD1-CA 2.98Å; N929-D931 PolarHBondContact OD1-N 3.31Å; D931-V933 HydrophobicContact CB-CG2 4.47Å |
| 932 | G | 94.1 | Very high | 94.9 | Very high | 40 Ų | 40 | 60.2 Ų | 60.2 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 79.9 | 14.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N929 K930 | N929-G932 PolarHBondContact O-N 3.43Å; N929-G932 PolarHBondContact OD1-N 2.92Å; K930-G932 VanDerWaalsContact C-N 3.3Å |
| 933 | V | 96.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | trans | -85.4 | 126.2 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | K823 L825 E889 T928 N929 D931 Y935 | K823-V933 HydrophobicContact CB-CG2 4.25Å; L825-V933 HydrophobicContact CB-CG1 4.12Å; E889-V933 HydrophobicContact CG-CG1 4.06Å; E889-V933 HydrophobicContact CG-CG2 3.8Å; T928-V933 WeakPolarHBondContact CA-O 3.25Å; N929-V933 PolarHBondContact N-O 2.73Å; N929-V933 WeakPolarHBondContact OD1-CB 3.49Å; N929-V933 PolarHBondContact OD1-N 2.96Å; D931-V933 HydrophobicContact CB-CG2 4.47Å; V933-Y935 HydrophobicContact CB-CE2 4.47Å; V933-Y935 HydrophobicContact CG1-CE2 4.32Å | ||
| 934 | V | 97.7 | Very high | 94.6 | Very high | 26 Ų | 26 | 62.1 Ų | 62.1 | 16% | 0.158 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 128.1 | 179.4 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | K823 Q824 L825 F926 H927 T928 P936 | K823-V934 PolarHBondContact O-N 3.4Å; Q824-V934 CarbonylContact C-O 3.45Å; Q824-V934 VanDerWaalsContact CA-O 3.31Å; Q824-V934 WeakPolarHBondContact CA-O 3.34Å; Q824-V934 HydrophobicContact CG-CB 4.22Å; L825-V934 PolarHBondContact N-O 3.44Å; F926-V934 HydrophobicContact CB-CG1 4.04Å; F926-V934 HydrophobicContact CD2-CG1 3.49Å; F926-V934 VanDerWaalsContact CD2-CG1 3.49Å; F926-V934 HydrophobicContact CE2-CG1 4.25Å; F926-V934 HydrophobicContact CG-CG1 4.06Å; H927-V934 CarbonylContact O-C 3.45Å; T928-V934 HydrophobicContact CG2-CG2 4.31Å; V934-P936 WeakPolarHBondContact O-CD 3.35Å |
| 935 | Y | 97.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 105.3 | 171.1 | -67.5 | -130.1 | 0 | 0 | 0 | 106 | D775 L778 L825 H927 N929 V933 I937 | D775-Y935 PolarHBondContact OD1-OH 2.76Å; L778-Y935 HydrophobicContact CB-CD1 4.47Å; L778-Y935 HydrophobicContact CB-CE1 4.5Å; L778-Y935 HydrophobicContact CD1-CE1 4.44Å; L825-Y935 HydrophobicContact CB-CD2 4.32Å; L825-Y935 HydrophobicContact CB-CE2 4.47Å; L825-Y935 HydrophobicContact CB-CG 4.33Å; L825-Y935 HydrophobicContact CD2-CD1 3.62Å; L825-Y935 HydrophobicContact CD2-CE1 3.37Å; L825-Y935 HydrophobicContact CD2-CE2 4.28Å; L825-Y935 HydrophobicContact CD2-CG 4.22Å; H927-Y935 PolarHBondContact N-O 2.83Å; H927-Y935 WeakPolarHBondContact O-CB 3.24Å; H927-Y935 PolarHBondContact O-N 3.27Å; N929-Y935 HydrophobicContact CB-CE2 4.03Å; V933-Y935 HydrophobicContact CB-CE2 4.47Å; V933-Y935 HydrophobicContact CG1-CE2 4.32Å; Y935-I937 HydrophobicContact CD1-CD1 4.27Å; Y935-I937 PolarHBondContact O-N 2.79Å |
| 936 | P | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -78.7 | 60.5 | -177.2 | 33.5 | -35.2 | 0 | 0 | 0 | 110.9 | Y782 L825 L826 D865 P921 F926 V934 G938 | Y782-P936 HydrophobicContact CE2-CG 4.25Å; Y782-P936 WeakPolarHBondContact CE2-O 3.37Å; Y782-P936 WeakPolarHBondContact OH-CD 3.48Å; Y782-P936 WeakPolarHBondContact OH-CG 3.21Å; L825-P936 WeakPolarHBondContact O-CD 3.38Å; L826-P936 HydrophobicContact CD2-CG 4.13Å; D865-P936 HydrophobicContact CB-CB 4.42Å; D865-P936 HydrophobicContact CB-CG 3.94Å; P921-P936 WeakPolarHBondContact CB-O 3.43Å; F926-P936 HydrophobicContact CD1-CB 4Å; F926-P936 HydrophobicContact CD2-CB 4.28Å; F926-P936 HydrophobicContact CE1-CB 3.54Å; F926-P936 HydrophobicContact CE2-CB 3.82Å; F926-P936 HydrophobicContact CG-CB 4.36Å; F926-P936 HydrophobicContact CZ-CB 3.42Å; F926-P936 VanDerWaalsContact CZ-CB 3.42Å; V934-P936 WeakPolarHBondContact O-CD 3.35Å; P936-G938 PolarHBondContact O-N 3.1Å | ||
| 937 | I | 94.4 | Very high | 93.7 | Very high | 17 Ų | 17 | 64.1 Ų | 64.1 | 9% | 0.087 | 35% | 0.349 | C | S | . | . | trans | -81.1 | 111.3 | 179 | -58.3 | 171.1 | 0 | 0 | 0 | 106.9 | L778 D781 Y782 E785 T925 Y935 | L778-I937 HydrophobicContact CB-CD1 4.15Å; L778-I937 HydrophobicContact CD2-CD1 3.96Å; L778-I937 WeakPolarHBondContact O-CD1 3.23Å; D781-I937 HydrophobicContact CB-CG2 4.37Å; Y782-I937 HydrophobicContact CD1-CG1 4.26Å; Y782-I937 HydrophobicContact CD2-CG1 3.96Å; Y782-I937 HydrophobicContact CG-CG1 3.75Å; E785-I937 HydrophobicContact CB-CG2 4.39Å; E785-I937 HydrophobicContact CG-CG2 4.36Å; T925-I937 CarbonylContact C-O 3.53Å; T925-I937 VanDerWaalsContact C-O 3.27Å; T925-I937 VanDerWaalsContact CB-O 3.29Å; T925-I937 WeakPolarHBondContact CB-O 3.49Å; T925-I937 PolarHBondContact OG1-O 3.21Å; Y935-I937 HydrophobicContact CD1-CD1 4.27Å; Y935-I937 PolarHBondContact O-N 2.79Å | ||
| 938 | G | 92.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | trans | -172.8 | 151.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T786 T925 P936 | T786-G938 WeakPolarHBondContact CG2-O 3.41Å; T925-G938 WeakPolarHBondContact OG1-CA 3.48Å; P936-G938 PolarHBondContact O-N 3.1Å | ||
| 939 | K | 93.6 | Very high | 93.1 | Very high | 138 Ų | 138 | 63.4 Ų | 63.4 | 60% | 0.6 | 35% | 0.348 | S | S | * | . | trans | -62.2 | 141.9 | 174.4 | -70.8 | -176.9 | 179.9 | 176.1 | 0 | 109.3 | E785 D922 I941 | E785-K939 WeakPolarHBondContact OE2-CE 3.16Å; E785-K939 VanDerWaalsContact OE2-CG 3.29Å; E785-K939 WeakPolarHBondContact OE2-CG 3.47Å; D922-K939 PolarHBondContact N-O 3.03Å; K939-I941 PolarHBondContact O-N 3.08Å | ||
| 940 | P | 94.7 | Very high | 93 | Very high | 42 Ų | 42 | 62.4 Ų | 62.4 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 121.3 | -179.8 | -15 | 30.9 | 0 | 0 | 0 | 109.4 | E785 I866 V919 | E785-P940 WeakPolarHBondContact O-CD 3.42Å; I866-P940 HydrophobicContact CD1-CB 4.08Å; I866-P940 HydrophobicContact CD1-CG 3.93Å; V919-P940 HydrophobicContact CG1-CB 3.29Å |
| 941 | I | 95.2 | Very high | 93 | Very high | 65 Ų | 65 | 56.5 Ų | 56.5 | 33% | 0.333 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 165.1 | 177.6 | 61.6 | 167.4 | 0 | 0 | 0 | 110.6 | V919 T920 D922 K939 S943 | V919-I941 VanDerWaalsContact CA-O 3.29Å; V919-I941 WeakPolarHBondContact CA-O 3.45Å; T920-I941 HydrophobicContact CG2-CG1 4.12Å; T920-I941 PolarHBondContact N-O 3.16Å; T920-I941 WeakPolarHBondContact O-CG1 3.42Å; T920-I941 PolarHBondContact O-N 3.26Å; D922-I941 HydrophobicContact CB-CD1 4.08Å; D922-I941 HydrophobicContact CB-CG1 4.35Å; D922-I941 HydrophobicContact CB-CG2 4.25Å; K939-I941 PolarHBondContact O-N 3.08Å; I941-S943 PolarHBondContact O-N 2.85Å |
| 942 | D | 93.7 | Very high | 93.2 | Very high | 101 Ų | 101 | 51.7 Ų | 51.7 | 54% | 0.54 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 128.5 | 170.8 | -162.4 | -40.3 | 0 | 0 | 0 | 109.9 | N944 | D942-N944 PolarHBondContact O-N 3.21Å; D942-N944 PolarHBondContact O-ND2 3.29Å; D942-N944 WeakPolarHBondContact OD1-CA 3.31Å; D942-N944 PolarHBondContact OD1-N 3.21Å |
| 943 | S | 92.4 | Very high | 93.4 | Very high | 23 Ų | 23 | 49.8 Ų | 49.8 | 16% | 0.161 | 28% | 0.28 | C | S | . | . | trans | -66.5 | -17.7 | 175.7 | 65.5 | 0 | 0 | 0 | 0 | 113.4 | G917 S918 I941 V945 | G917-S943 VanDerWaalsContact O-CB 3.3Å; G917-S943 WeakPolarHBondContact O-CB 3.44Å; G917-S943 PolarHBondContact O-OG 3.5Å; S918-S943 WeakPolarHBondContact CA-OG 3.46Å; S918-S943 WeakPolarHBondContact O-CB 3.17Å; S918-S943 PolarHBondContact O-N 3.02Å; S918-S943 PolarHBondContact O-OG 3.38Å; I941-S943 PolarHBondContact O-N 2.85Å; S943-V945 PolarHBondContact O-N 2.86Å; S943-V945 PolarHBondContact OG-N 3.44Å | ||
| 944 | N | 91.9 | Very high | 93.4 | Very high | 137 Ų | 137 | 50.4 Ų | 50.4 | 73% | 0.733 | 28% | 0.282 | S | S | * | . | trans | 56.8 | 19.6 | -168.9 | -59.5 | -67.4 | 0 | 0 | 0 | 114 | D942 P946 | D942-N944 PolarHBondContact O-N 3.21Å; D942-N944 PolarHBondContact O-ND2 3.29Å; D942-N944 WeakPolarHBondContact OD1-CA 3.31Å; D942-N944 PolarHBondContact OD1-N 3.21Å; N944-P946 WeakPolarHBondContact O-CD 3.46Å | ||
| 945 | V | 90.8 | Very high | 93.4 | Very high | 47 Ų | 47 | 49.3 Ų | 49.3 | 29% | 0.285 | 28% | 0.275 | S | S | . | . | trans | -93.9 | 111.8 | 178.5 | -178 | 0 | 0 | 0 | 0 | 110.1 | L899 I916 S943 | L899-V945 HydrophobicContact CD2-CG1 3.48Å; L899-V945 VanDerWaalsContact CD2-CG1 3.48Å; I916-V945 HydrophobicContact CG2-CB 3.98Å; I916-V945 HydrophobicContact CG2-CG1 4.02Å; I916-V945 HydrophobicContact CG2-CG2 3.92Å; S943-V945 PolarHBondContact O-N 2.86Å; S943-V945 PolarHBondContact OG-N 3.44Å | ||
| 946 | P | 88 | Confident | 93.5 | Very high | 91 Ų | 91 | 49.2 Ų | 49.2 | 59% | 0.591 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 155.9 | -179 | 30.4 | -35.3 | 0 | 0 | 0 | 111.7 | N944 T948 | N944-P946 WeakPolarHBondContact O-CD 3.46Å; P946-T948 PolarHBondContact O-N 2.98Å |
| 947 | N | 89 | Confident | 93.5 | Very high | 134 Ų | 134 | 49.2 Ų | 49.2 | 72% | 0.717 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 13.7 | 171.4 | -50.3 | -52.4 | 0 | 0 | 0 | 116.5 | ||
| 948 | T | 90.7 | Very high | 93.6 | Very high | 28 Ų | 28 | 51.1 Ų | 51.1 | 17% | 0.172 | 28% | 0.281 | C | S | . | . | trans | -68.7 | 142.7 | 168.6 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | I916 P946 L950 | I916-T948 WeakPolarHBondContact O-CB 3.41Å; I916-T948 PolarHBondContact O-OG1 3.19Å; P946-T948 PolarHBondContact O-N 2.98Å; T948-L950 PolarHBondContact OG1-N 2.65Å; T948-L950 VanDerWaalsContact OG1-N 3.1Å | ||
| 949 | T | 89.7 | Confident | 93.7 | Very high | 91 Ų | 91 | 53.5 Ų | 53.5 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | trans | -96.7 | -3.5 | 175 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | L899 Q900 | L899-T949 PolarHBondContact O-N 2.85Å; L899-T949 PolarHBondContact O-OG1 2.84Å; Q900-T949 WeakPolarHBondContact CA-OG1 3.28Å; Q900-T949 HydrophobicContact CG-CG2 3.98Å | ||
| 950 | L | 90.7 | Very high | 93.8 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 7% | 0.068 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 139.2 | -178.9 | -75.6 | 169.9 | 0 | 0 | 0 | 110.8 | M856 F857 G915 G917 S918 T948 | M856-L950 HydrophobicContact CE-CD2 3.83Å; M856-L950 HydrophobicContact SD-CD2 3.47Å; M856-L950 WeakPolarHBondContact SD-CD2 3.11Å; M856-L950 HydrophobicContact SD-CG 4.14Å; F857-L950 HydrophobicContact CE2-CD1 3.92Å; F857-L950 HydrophobicContact CZ-CD1 3.76Å; G915-L950 VanDerWaalsContact C-CD1 3.45Å; G915-L950 VanDerWaalsContact CA-CD1 3.48Å; G917-L950 CarbonylContact C-O 3.55Å; G917-L950 WeakPolarHBondContact CA-O 3.17Å; S918-L950 PolarHBondContact N-O 2.8Å; T948-L950 PolarHBondContact OG1-N 2.65Å; T948-L950 VanDerWaalsContact OG1-N 3.1Å |
| 951 | C | 92.3 | Very high | 93.9 | Very high | 75 Ų | 75 | 48.8 Ų | 48.8 | 51% | 0.507 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -38.3 | 172.7 | -61.4 | 0 | 0 | 0 | 0 | 112.7 | S918 V919 | S918-C951 PolarHBondContact N-O 2.99Å; S918-C951 PolarHBondContact OG-O 3.45Å; S918-C951 VanDerWaalsContact OG-O 3.11Å; V919-C951 VanDerWaalsContact CB-O 3.32Å; V919-C951 WeakPolarHBondContact CB-O 3.48Å; V919-C951 PolarHBondContact N-O 3.13Å |
| 952 | Y | 95 | Very high | 94 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 155.5 | -175.5 | -55.8 | -73.7 | 0 | 0 | 0 | 109.9 | G788 A789 T790 H791 I866 K869 G917 V919 | G788-Y952 WeakPolarHBondContact CA-OH 3.46Å; A789-Y952 PolarHBondContact N-OH 3.28Å; T790-Y952 PolarHBondContact N-OH 3.29Å; T790-Y952 WeakPolarHBondContact OG1-CE2 3.27Å; T790-Y952 PolarHBondContact OG1-OH 3.49Å; H791-Y952 AromaticContact CE1-CE2 3.44Å; H791-Y952 VanDerWaalsContact CE1-CE2 3.44Å; H791-Y952 WeakPolarHBondContact CE1-CE2 3.18Å; H791-Y952 AromaticContact NE2-CE2 3.8Å; I866-Y952 HydrophobicContact CB-CD1 4.37Å; I866-Y952 HydrophobicContact CG1-CD1 3.81Å; I866-Y952 HydrophobicContact CG1-CE1 4.49Å; I866-Y952 HydrophobicContact CG1-CG 4.31Å; I866-Y952 HydrophobicContact CG2-CD1 4.12Å; I866-Y952 HydrophobicContact CG2-CE1 4.22Å; I866-Y952 HydrophobicContact CG2-CG 4.43Å; K869-Y952 HydrophobicContact CD-CD2 4.18Å; K869-Y952 HydrophobicContact CD-CG 4.33Å; K869-Y952 PolarHBondContact NZ-O 3.49Å; G917-Y952 VanDerWaalsContact CA-C 3.48Å; V919-Y952 HydrophobicContact CB-CD1 3.78Å; V919-Y952 HydrophobicContact CB-CE1 3.98Å; V919-Y952 HydrophobicContact CG1-CD1 3.97Å; V919-Y952 HydrophobicContact CG1-CE1 3.93Å; V919-Y952 HydrophobicContact CG2-CE1 4.41Å |
| 953 | N | 97 | Very high | 94.2 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | trans | -59.1 | 154.7 | 178.6 | -63.6 | -36 | 0 | 0 | 0 | 112.9 | D865 K869 G915 G917 T920 Y955 | D865-N953 WeakPolarHBondContact OD2-CB 3.4Å; D865-N953 PolarHBondContact OD2-ND2 2.99Å; K869-N953 PolarHBondContact NZ-O 2.76Å; G915-N953 CarbonylContact O-C 3.53Å; G915-N953 VanDerWaalsContact O-CA 3.25Å; G915-N953 WeakPolarHBondContact O-CA 3.5Å; G917-N953 PolarHBondContact N-OD1 2.97Å; T920-N953 PolarHBondContact OG1-ND2 2.81Å; N953-Y955 HydrophobicContact CB-CE2 3.9Å | ||
| 954 | E | 97.5 | Very high | 94.4 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 133.3 | 172.2 | -113.9 | 161.2 | -119.1 | 0 | 0 | 108.5 | F857 Y862 F863 K869 K914 G915 I956 | F857-E954 HydrophobicContact CE2-CB 4.41Å; Y862-E954 HydrophobicContact CD1-CG 4.35Å; F863-E954 WeakPolarHBondContact O-CA 3.14Å; K869-E954 WeakPolarHBondContact CE-OE1 3.13Å; K869-E954 VanDerWaalsContact NZ-CG 3.27Å; K869-E954 IonicContact NZ-OE1 2.7Å; K869-E954 PolarHBondContact NZ-OE1 3.36Å; K914-E954 CarbonylContact C-O 3.57Å; K914-E954 VanDerWaalsContact CA-O 3.32Å; K914-E954 WeakPolarHBondContact CA-O 3.33Å; G915-E954 PolarHBondContact N-O 2.92Å; G915-E954 PolarHBondContact O-N 3.29Å; E954-I956 HydrophobicContact CB-CD1 4.14Å |
| 955 | Y | 98.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.5 | 178.1 | -55.3 | -93.4 | 0 | 0 | 0 | 109 | L826 F863 D865 L892 M895 K914 N953 | L826-Y955 HydrophobicContact CD1-CD1 4.29Å; L826-Y955 HydrophobicContact CD1-CD2 3.71Å; L826-Y955 HydrophobicContact CD1-CE2 4.43Å; L826-Y955 HydrophobicContact CD1-CG 3.64Å; L826-Y955 HydrophobicContact CD2-CD2 4Å; L826-Y955 HydrophobicContact CD2-CE2 4Å; L826-Y955 HydrophobicContact CG-CD2 4.49Å; F863-Y955 PolarHBondContact N-O 3.28Å; F863-Y955 PolarHBondContact O-N 2.9Å; D865-Y955 HydrophobicContact CB-CE2 3.81Å; D865-Y955 WeakPolarHBondContact OD2-CE2 3.24Å; D865-Y955 PolarHBondContact OD2-OH 2.66Å; L892-Y955 HydrophobicContact CD1-CD1 3.7Å; L892-Y955 HydrophobicContact CD1-CE1 4.08Å; L892-Y955 HydrophobicContact CD1-CG 4.48Å; L892-Y955 HydrophobicContact CD2-CD1 4.12Å; L892-Y955 HydrophobicContact CD2-CG 4.38Å; M895-Y955 HydrophobicContact SD-CD1 4.12Å; M895-Y955 HydrophobicContact SD-CE1 4.15Å; K914-Y955 HydrophobicContact CB-CD1 4.44Å; K914-Y955 HydrophobicContact CD-CD1 4.45Å; K914-Y955 HydrophobicContact CD-CE1 3.8Å; K914-Y955 HydrophobicContact CG-CD1 4.12Å; K914-Y955 HydrophobicContact CG-CE1 3.89Å; N953-Y955 HydrophobicContact CB-CE2 3.9Å |
| 956 | I | 98 | Very high | 95 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.4 | -173 | -52.6 | 89.1 | 0 | 0 | 0 | 109.4 | F857 I861 Y862 S912 R913 E954 Y958 | F857-I956 HydrophobicContact CB-CD1 3.78Å; F857-I956 HydrophobicContact CB-CG1 3.95Å; F857-I956 HydrophobicContact CD2-CD1 3.46Å; F857-I956 VanDerWaalsContact CD2-CD1 3.46Å; F857-I956 HydrophobicContact CD2-CG1 4.28Å; F857-I956 HydrophobicContact CE2-CD1 4.28Å; F857-I956 HydrophobicContact CG-CD1 3.76Å; F857-I956 HydrophobicContact CG-CG1 4.45Å; I861-I956 WeakPolarHBondContact O-CA 3.49Å; Y862-I956 HydrophobicContact CD1-CD1 4.36Å; Y862-I956 HydrophobicContact CD1-CG1 3.61Å; Y862-I956 HydrophobicContact CD2-CG1 4.35Å; Y862-I956 HydrophobicContact CD2-CG2 4.27Å; Y862-I956 HydrophobicContact CE1-CD1 4.23Å; Y862-I956 HydrophobicContact CE1-CG1 3.56Å; Y862-I956 HydrophobicContact CE2-CG1 4.28Å; Y862-I956 HydrophobicContact CE2-CG2 4.02Å; Y862-I956 HydrophobicContact CG-CG1 4.01Å; S912-I956 CarbonylContact C-O 3.49Å; S912-I956 WeakPolarHBondContact CA-O 3.47Å; S912-I956 VanDerWaalsContact CB-O 3.24Å; S912-I956 WeakPolarHBondContact CB-O 3.32Å; R913-I956 HydrophobicContact CB-CB 4.4Å; R913-I956 HydrophobicContact CB-CD1 4.46Å; R913-I956 PolarHBondContact N-O 3.24Å; R913-I956 PolarHBondContact O-N 3.12Å; E954-I956 HydrophobicContact CB-CD1 4.14Å; I956-Y958 HydrophobicContact CB-CE2 4.45Å; I956-Y958 HydrophobicContact CG2-CE1 3.96Å; I956-Y958 HydrophobicContact CG2-CE2 4.1Å |
| 957 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 145.3 | 171.3 | -62.6 | 0 | 0 | 0 | 0 | 110.6 | G860 I861 F863 V890 L892 Q962 V963 | G860-V957 CarbonylContact C-O 3.59Å; G860-V957 VanDerWaalsContact CA-O 3.32Å; G860-V957 WeakPolarHBondContact CA-O 3.4Å; I861-V957 HydrophobicContact CB-CG2 3.91Å; I861-V957 HydrophobicContact CD1-CG2 4.4Å; I861-V957 PolarHBondContact N-O 3.14Å; I861-V957 PolarHBondContact O-N 3.4Å; I861-V957 VanDerWaalsContact O-N 3.16Å; F863-V957 HydrophobicContact CE2-CG2 3.92Å; V890-V957 HydrophobicContact CG1-CG1 3.53Å; V890-V957 HydrophobicContact CG1-CG2 4.47Å; L892-V957 HydrophobicContact CD2-CG1 4.4Å; V957-Q962 HydrophobicContact CB-CB 4.17Å; V957-Q962 HydrophobicContact CG1-CB 4.14Å; V957-Q962 HydrophobicContact CG2-CB 4.45Å; V957-V963 HydrophobicContact CG2-CG2 3.58Å |
| 958 | Y | 95.7 | Very high | 96 | Very high | 58 Ų | 58 | 24.2 Ų | 24.2 | 23% | 0.227 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -111.8 | 10.5 | -174.4 | -55.6 | -90.3 | 0 | 0 | 0 | 112.2 | I845 F857 K859 L906 R913 I956 | I845-Y958 VanDerWaalsContact CD1-C 3.45Å; I845-Y958 WeakPolarHBondContact CD1-O 3.29Å; F857-Y958 WeakPolarHBondContact O-CE1 3.39Å; F857-Y958 PolarHBondContact O-OH 3.46Å; K859-Y958 VanDerWaalsContact O-CD1 3.25Å; K859-Y958 WeakPolarHBondContact O-CD1 3.49Å; L906-Y958 HydrophobicContact CB-CD2 4.23Å; L906-Y958 HydrophobicContact CB-CE2 4.2Å; L906-Y958 HydrophobicContact CD1-CE2 4Å; L906-Y958 HydrophobicContact CD2-CD2 3.84Å; L906-Y958 HydrophobicContact CD2-CE2 4.13Å; L906-Y958 HydrophobicContact CG-CD2 4.44Å; L906-Y958 HydrophobicContact CG-CE2 4.35Å; R913-Y958 HydrophobicContact CB-CE2 3.98Å; R913-Y958 PolarHBondContact NE-OH 2.71Å; I956-Y958 HydrophobicContact CB-CE2 4.45Å; I956-Y958 HydrophobicContact CG2-CE1 3.96Å; I956-Y958 HydrophobicContact CG2-CE2 4.1Å |
| 959 | N | 95.3 | Very high | 96.4 | Very high | 51 Ų | 51 | 22.9 Ų | 22.9 | 27% | 0.273 | 13% | 0.126 | S | C | . | . | trans | -136.6 | 125.4 | 172 | -167.8 | -52.2 | 0 | 0 | 0 | 110.7 | I818 S961 Q962 | I818-N959 HydrophobicContact CD1-CB 3.46Å; I818-N959 VanDerWaalsContact CD1-CB 3.46Å; I818-N959 WeakPolarHBondContact CD1-ND2 3.44Å; N959-S961 PolarHBondContact O-N 3.2Å; N959-S961 WeakPolarHBondContact OD1-CA 3.07Å; N959-S961 WeakPolarHBondContact OD1-CB 3.04Å; N959-S961 PolarHBondContact OD1-N 2.73Å; N959-S961 PolarHBondContact OD1-OG 2.71Å; N959-Q962 HydrophobicContact CB-CG 4.36Å; N959-Q962 WeakPolarHBondContact O-CB 3.37Å; N959-Q962 PolarHBondContact O-N 2.98Å | ||
| 960 | V | 95.7 | Very high | 96.7 | Very high | 53 Ų | 53 | 19.3 Ų | 19.3 | 32% | 0.321 | 10% | 0.102 | S | C | . | . | G | 310 helix | trans | -58.7 | -19.9 | 178.4 | -60.6 | 0 | 0 | 0 | 0 | 113.7 | R812 I845 I861 Q962 V963 | R812-V960 PolarHBondContact NE-O 2.78Å; I845-V960 HydrophobicContact CD1-CG1 4.44Å; I845-V960 HydrophobicContact CG1-CG1 4.32Å; I861-V960 HydrophobicContact CD1-CG1 4.18Å; V960-Q962 VanDerWaalsContact C-N 3.29Å; V960-Q962 PolarHBondContact O-N 3.47Å; V960-V963 PolarHBondContact O-N 3.41Å |
| 961 | S | 96.5 | Very high | 97.1 | Very high | 29 Ų | 29 | 18.7 Ų | 18.7 | 20% | 0.203 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -76.1 | -14.4 | 177.1 | -46.4 | 0 | 0 | 0 | 0 | 113.3 | N959 V963 | N959-S961 PolarHBondContact O-N 3.2Å; N959-S961 WeakPolarHBondContact OD1-CA 3.07Å; N959-S961 WeakPolarHBondContact OD1-CB 3.04Å; N959-S961 PolarHBondContact OD1-N 2.73Å; N959-S961 PolarHBondContact OD1-OG 2.71Å; S961-V963 PolarHBondContact O-N 2.87Å |
| 962 | Q | 97.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.009 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -79.5 | -2.2 | 174 | -68.3 | 174.2 | -94.1 | 0 | 0 | 113 | F813 V890 I891 H911 V957 N959 V960 | F813-Q962 WeakPolarHBondContact CE2-O 3.36Å; V890-Q962 WeakPolarHBondContact CA-O 3.44Å; I891-Q962 HydrophobicContact CB-CB 4.26Å; I891-Q962 HydrophobicContact CB-CG 4.43Å; I891-Q962 PolarHBondContact N-O 2.92Å; I891-Q962 PolarHBondContact O-NE2 2.92Å; H911-Q962 PolarHBondContact O-NE2 2.8Å; H911-Q962 PolarHBondContact O-OE1 2.81Å; V957-Q962 HydrophobicContact CB-CB 4.17Å; V957-Q962 HydrophobicContact CG1-CB 4.14Å; V957-Q962 HydrophobicContact CG2-CB 4.45Å; N959-Q962 HydrophobicContact CB-CG 4.36Å; N959-Q962 WeakPolarHBondContact O-CB 3.37Å; N959-Q962 PolarHBondContact O-N 2.98Å; V960-Q962 VanDerWaalsContact C-N 3.29Å; V960-Q962 PolarHBondContact O-N 3.47Å |
| 963 | V | 97.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.018 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129.9 | -172.4 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | R812 L843 I861 F863 C888 V957 V960 S961 | R812-V963 PolarHBondContact NH2-O 3.5Å; L843-V963 HydrophobicContact CD1-CG1 4.18Å; I861-V963 HydrophobicContact CD1-CG2 3.84Å; F863-V963 HydrophobicContact CE1-CG1 4.47Å; F863-V963 HydrophobicContact CE2-CG2 3.89Å; F863-V963 HydrophobicContact CZ-CB 4.44Å; F863-V963 HydrophobicContact CZ-CG1 3.75Å; F863-V963 HydrophobicContact CZ-CG2 3.75Å; C888-V963 HydrophobicContact CB-CG1 3.96Å; V957-V963 HydrophobicContact CG2-CG2 3.58Å; V960-V963 PolarHBondContact O-N 3.41Å; S961-V963 PolarHBondContact O-N 2.87Å |
| 964 | K | 97.7 | Very high | 97.5 | Very high | 34 Ų | 34 | 21.9 Ų | 21.9 | 15% | 0.148 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.7 | 168.4 | 168 | 175.8 | 170.2 | 169.3 | 0 | 109.6 | E809 D810 F813 C888 E889 | E809-K964 HydrophobicContact CG-CB 4.42Å; E809-K964 HydrophobicContact CG-CG 4.48Å; D810-K964 WeakPolarHBondContact OD1-CD 3.29Å; D810-K964 WeakPolarHBondContact OD1-CE 3.25Å; D810-K964 IonicContact OD1-NZ 3.03Å; D810-K964 PolarHBondContact OD1-NZ 3.12Å; F813-K964 HydrophobicContact CB-CB 4.07Å; F813-K964 HydrophobicContact CD1-CB 4.12Å; F813-K964 HydrophobicContact CD1-CD 4.02Å; F813-K964 HydrophobicContact CD2-CB 3.4Å; F813-K964 VanDerWaalsContact CD2-CB 3.4Å; F813-K964 HydrophobicContact CE1-CB 4.42Å; F813-K964 HydrophobicContact CE1-CD 4.41Å; F813-K964 HydrophobicContact CE2-CB 3.72Å; F813-K964 HydrophobicContact CG-CB 3.6Å; F813-K964 HydrophobicContact CG-CD 4.2Å; F813-K964 HydrophobicContact CZ-CB 4.23Å; C888-K964 CarbonylContact C-O 3.59Å; C888-K964 WeakPolarHBondContact CA-O 3.04Å; C888-K964 WeakPolarHBondContact CB-O 3.29Å; E889-K964 HydrophobicContact CB-CB 4.34Å; E889-K964 PolarHBondContact N-O 3Å; E889-K964 PolarHBondContact O-N 3.09Å |
| 965 | Q | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 131.1 | 175.3 | -55.8 | -168.2 | 12.8 | 0 | 0 | 108.7 | V804 E809 I838 L886 | V804-Q965 HydrophobicContact CB-CB 4.36Å; V804-Q965 HydrophobicContact CG1-CB 3.86Å; E809-Q965 WeakPolarHBondContact OE2-CB 3.34Å; E809-Q965 WeakPolarHBondContact OE2-CG 3.41Å; E809-Q965 PolarHBondContact OE2-N 3.13Å; I838-Q965 PolarHBondContact O-NE2 3.35Å; I838-Q965 VanDerWaalsContact O-NE2 3.12Å; L886-Q965 HydrophobicContact CD1-CB 4.19Å; L886-Q965 HydrophobicContact CD1-CG 4.47Å; L886-Q965 HydrophobicContact CD2-CB 4.43Å; L886-Q965 HydrophobicContact CD2-CG 3.87Å |
| 966 | K | 97.5 | Very high | 96.9 | Very high | 39 Ų | 39 | 33.4 Ų | 33.4 | 17% | 0.17 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | -47.3 | -173.8 | -169.4 | 68.2 | -175.9 | 152.2 | 0 | 113 | E803 V804 L825 L887 | E803-K966 IonicContact OE1-NZ 3.78Å; E803-K966 PolarHBondContact OE1-NZ 3.16Å; V804-K966 PolarHBondContact N-O 3.34Å; L825-K966 HydrophobicContact CD1-CB 4.15Å; L825-K966 HydrophobicContact CD1-CG 4.45Å; L887-K966 PolarHBondContact O-N 2.81Å |
| 967 | Y | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 134.7 | 177.8 | -47.4 | -79.7 | 0 | 0 | 0 | 112 | L769 D775 I779 I801 F802 E803 L825 L887 | L769-Y967 HydrophobicContact CD1-CE1 4.31Å; L769-Y967 HydrophobicContact CD2-CD1 4.11Å; L769-Y967 HydrophobicContact CD2-CE1 4.09Å; D775-Y967 HydrophobicContact CB-CE1 4.39Å; D775-Y967 PolarHBondContact OD2-OH 2.98Å; I779-Y967 HydrophobicContact CD1-CD1 3.88Å; I779-Y967 HydrophobicContact CD1-CD2 3.65Å; I779-Y967 HydrophobicContact CD1-CE1 4.25Å; I779-Y967 HydrophobicContact CD1-CE2 4.04Å; I779-Y967 HydrophobicContact CD1-CG 3.58Å; I801-Y967 HydrophobicContact CG2-CD1 4.39Å; F802-Y967 CarbonylContact O-C 3.52Å; F802-Y967 VanDerWaalsContact O-CA 3.23Å; F802-Y967 WeakPolarHBondContact O-CA 3.35Å; E803-Y967 HydrophobicContact CG-CD1 4.46Å; E803-Y967 HydrophobicContact CG-CE1 4.31Å; L825-Y967 HydrophobicContact CD1-CE2 4.5Å; L825-Y967 HydrophobicContact CD2-CD2 4.24Å; L825-Y967 HydrophobicContact CD2-CE2 4.15Å; L887-Y967 HydrophobicContact CB-CD2 4.14Å; L887-Y967 HydrophobicContact CD1-CD2 4.27Å; L887-Y967 PolarHBondContact N-O 2.8Å; L887-Y967 PolarHBondContact O-N 3.21Å; L887-Y967 VanDerWaalsContact O-N 3.13Å |
| 968 | L | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 120.2 | 169.1 | -175.6 | 73.5 | 0 | 0 | 0 | 108.5 | L630 F802 V804 W835 L839 L884 L886 | L630-L968 HydrophobicContact CD1-CD2 4.06Å; L630-L968 HydrophobicContact CD2-CD2 3.83Å; F802-L968 HydrophobicContact CB-CB 4.37Å; F802-L968 PolarHBondContact N-O 3.06Å; F802-L968 PolarHBondContact O-N 3.33Å; V804-L968 HydrophobicContact CG2-CB 3.76Å; W835-L968 HydrophobicContact CD2-CD1 4.33Å; W835-L968 HydrophobicContact CE3-CD1 3.64Å; W835-L968 HydrophobicContact CH2-CD1 4.02Å; W835-L968 HydrophobicContact CZ3-CD1 3.46Å; W835-L968 VanDerWaalsContact CZ3-CD1 3.46Å; L839-L968 HydrophobicContact CD1-CD2 4.37Å; L839-L968 HydrophobicContact CD2-CD2 4.47Å; L884-L968 HydrophobicContact CB-CD1 4.24Å; L884-L968 HydrophobicContact CD2-CD1 4.41Å; L884-L968 HydrophobicContact CD2-CD2 4.2Å; L884-L968 HydrophobicContact CD2-CG 4.13Å; L886-L968 HydrophobicContact CD1-CB 4.44Å; L886-L968 HydrophobicContact CD1-CD1 4.12Å |
| 969 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 114.9 | -174.9 | -172.6 | 0 | 0 | 0 | 0 | 108.8 | I779 V798 I801 W827 L884 L885 L887 V971 | I779-V969 HydrophobicContact CG2-CG2 3.92Å; V798-V969 HydrophobicContact CG1-CG1 3.86Å; V798-V969 HydrophobicContact CG2-CG1 4.19Å; I801-V969 HydrophobicContact CG1-CG1 4.24Å; I801-V969 HydrophobicContact CG1-CG2 4.42Å; I801-V969 HydrophobicContact CG2-CG2 4.46Å; W827-V969 HydrophobicContact CH2-CG2 4.16Å; W827-V969 HydrophobicContact CZ3-CB 4.3Å; W827-V969 HydrophobicContact CZ3-CG2 3.88Å; L884-V969 WeakPolarHBondContact CA-O 3.21Å; L885-V969 HydrophobicContact CB-CB 4.38Å; L885-V969 PolarHBondContact N-O 3.11Å; L885-V969 PolarHBondContact O-N 3.06Å; L887-V969 HydrophobicContact CD1-CG2 4.37Å; V969-V971 HydrophobicContact CG1-CG1 3.84Å |
| 970 | R | 97.9 | Very high | 97 | Very high | 16 Ų | 16 | 34.8 Ų | 34.8 | 6% | 0.06 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 126.3 | 172.5 | -169.6 | -178.9 | -178.5 | 168 | 1.5 | 109.3 | S629 L799 N800 E882 L884 | S629-R970 PolarHBondContact O-NH1 2.87Å; S629-R970 PolarHBondContact OG-NH1 2.96Å; L799-R970 HydrophobicContact CB-CB 4.48Å; L799-R970 HydrophobicContact CB-CG 4.39Å; L799-R970 HydrophobicContact CD1-CG 4.24Å; L799-R970 PolarHBondContact N-O 2.95Å; N800-R970 HydrophobicContact CB-CB 4.42Å; N800-R970 PolarHBondContact N-O 3.09Å; N800-R970 PolarHBondContact O-N 3.12Å; E882-R970 IonicContact OE2-CZ 3.89Å; E882-R970 IonicContact OE2-NE 2.7Å; E882-R970 PolarHBondContact OE2-NE 2.95Å; E882-R970 IonicContact OE2-NH2 3.92Å; E882-R970 PolarHBondContact OE2-NH2 3.17Å; L884-R970 HydrophobicContact CD2-CB 3.68Å; L884-R970 HydrophobicContact CD2-CG 3.87Å |
| 971 | V | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 151.5 | -175.7 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | L796 E797 V798 E882 G883 L885 V969 F973 | L796-V971 HydrophobicContact CD2-CG2 4.26Å; E797-V971 CarbonylContact O-C 3.45Å; E797-V971 WeakPolarHBondContact O-CA 3.4Å; V798-V971 HydrophobicContact CG2-CG1 4.29Å; E882-V971 WeakPolarHBondContact CA-O 3.38Å; G883-V971 PolarHBondContact N-O 3.07Å; G883-V971 PolarHBondContact O-N 3.33Å; L885-V971 HydrophobicContact CD1-CG1 4.22Å; L885-V971 HydrophobicContact CD1-CG2 4.12Å; L885-V971 HydrophobicContact CG-CG2 4.45Å; V969-V971 HydrophobicContact CG1-CG1 3.84Å; V971-F973 HydrophobicContact CG2-CD2 4.23Å; V971-F973 HydrophobicContact CG2-CE2 3.69Å; V971-F973 HydrophobicContact CG2-CZ 4.46Å |
| 972 | K | 98 | Very high | 97.1 | Very high | 73 Ų | 73 | 34 Ų | 34 | 32% | 0.317 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.5 | 168.5 | -171.5 | 174.3 | -179.7 | 176.9 | 0 | 109.9 | E797 L799 P881 | E797-K972 HydrophobicContact CB-CB 4.36Å; E797-K972 PolarHBondContact N-O 2.78Å; E797-K972 PolarHBondContact O-N 3.42Å; L799-K972 HydrophobicContact CD1-CB 4.07Å; L799-K972 HydrophobicContact CD2-CB 4.05Å; L799-K972 HydrophobicContact CG-CB 4.11Å; P881-K972 HydrophobicContact CB-CG 4.38Å; P881-K972 HydrophobicContact CG-CG 4.5Å |
| 973 | F | 98.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 2% | 0.022 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.2 | 176.9 | -70.2 | -114.8 | 0 | 0 | 0 | 109.1 | Y794 T795 L796 A871 C874 T876 P881 V971 Y975 | Y794-F973 HydrophobicContact CD1-CD1 4.17Å; Y794-F973 AromaticContact CD2-CD1 3.43Å; Y794-F973 HydrophobicContact CD2-CD1 3.43Å; Y794-F973 VanDerWaalsContact CD2-CD1 3.43Å; Y794-F973 AromaticContact CD2-CE1 3.88Å; Y794-F973 HydrophobicContact CD2-CE1 3.88Å; Y794-F973 HydrophobicContact CD2-CG 4.42Å; Y794-F973 HydrophobicContact CE1-CD1 4.37Å; Y794-F973 HydrophobicContact CE1-CE1 4.33Å; Y794-F973 AromaticContact CE2-CD1 3.68Å; Y794-F973 HydrophobicContact CE2-CD1 3.68Å; Y794-F973 AromaticContact CE2-CE1 3.59Å; Y794-F973 HydrophobicContact CE2-CE1 3.59Å; Y794-F973 AromaticContact CG-CD1 3.72Å; Y794-F973 HydrophobicContact CG-CD1 3.72Å; Y794-F973 HydrophobicContact CG-CE1 4.39Å; Y794-F973 AromaticContact CZ-CE1 3.84Å; T795-F973 WeakPolarHBondContact O-CA 3.4Å; L796-F973 HydrophobicContact CD2-CD1 3.7Å; L796-F973 HydrophobicContact CD2-CD2 3.96Å; L796-F973 HydrophobicContact CD2-CE1 3.67Å; L796-F973 HydrophobicContact CD2-CE2 3.94Å; L796-F973 HydrophobicContact CD2-CG 3.85Å; L796-F973 HydrophobicContact CD2-CZ 3.8Å; A871-F973 HydrophobicContact CB-CE1 3.9Å; A871-F973 HydrophobicContact CB-CZ 3.74Å; A871-F973 WeakPolarHBondContact O-CZ 3.43Å; C874-F973 HydrophobicContact CB-CE2 4.21Å; C874-F973 HydrophobicContact CB-CZ 3.94Å; T876-F973 HydrophobicContact CG2-CD2 3.63Å; T876-F973 HydrophobicContact CG2-CE2 3.52Å; T876-F973 HydrophobicContact CG2-CG 4.33Å; T876-F973 HydrophobicContact CG2-CZ 4.13Å; T876-F973 VanDerWaalsContact OG1-CD1 3.26Å; T876-F973 WeakPolarHBondContact OG1-CD1 3.36Å; T876-F973 VanDerWaalsContact OG1-CD2 3.28Å; T876-F973 WeakPolarHBondContact OG1-CD2 3.4Å; T876-F973 WeakPolarHBondContact OG1-CG 3.34Å; P881-F973 WeakPolarHBondContact CB-O 3.45Å; P881-F973 WeakPolarHBondContact O-CB 3.45Å; P881-F973 VanDerWaalsContact O-CD2 3.3Å; P881-F973 WeakPolarHBondContact O-CD2 3.49Å; P881-F973 PolarHBondContact O-N 2.95Å; V971-F973 HydrophobicContact CG2-CD2 4.23Å; V971-F973 HydrophobicContact CG2-CE2 3.69Å; V971-F973 HydrophobicContact CG2-CZ 4.46Å; F973-Y975 HydrophobicContact CB-CD2 4.18Å; F973-Y975 HydrophobicContact CB-CE2 3.59Å; F973-Y975 HydrophobicContact CG-CE2 4.45Å |
| 974 | H | 97.3 | Very high | 97 | Very high | 75 Ų | 75 | 38.8 Ų | 38.8 | 35% | 0.347 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 95.5 | 172.5 | -65.1 | -78 | 0 | 0 | 0 | 109 | Y794 T795 E797 | Y794-H974 CarbonylContact C-O 3.54Å; Y794-H974 WeakPolarHBondContact CA-O 3.38Å; T795-H974 PolarHBondContact N-O 2.9Å; T795-H974 PolarHBondContact O-N 2.62Å; E797-H974 IonicContact OE2-CD2 3.16Å; E797-H974 IonicContact OE2-CE1 2.65Å; E797-H974 PolarHBondContact OE2-CE1 2.83Å; E797-H974 IonicContact OE2-NE2 2.76Å; E797-H974 PolarHBondContact OE2-NE2 3.27Å |
| 975 | Y | 95 | Very high | 96.9 | Very high | 71 Ų | 71 | 39.3 Ų | 39.3 | 28% | 0.278 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 138.7 | 177.3 | -71.1 | -81.2 | 0 | 0 | 0 | 111.3 | Q793 Y794 T876 T877 Q878 F973 | Q793-Y975 WeakPolarHBondContact O-CA 3.31Å; Y794-Y975 HydrophobicContact CD1-CE1 4.24Å; T876-Y975 PolarHBondContact O-OH 3.15Å; T876-Y975 PolarHBondContact OG1-OH 3.34Å; T877-Y975 VanDerWaalsContact C-CE2 3.43Å; T877-Y975 WeakPolarHBondContact O-CE2 3.1Å; Q878-Y975 HydrophobicContact CG-CD2 4Å; Q878-Y975 HydrophobicContact CG-CG 3.84Å; F973-Y975 HydrophobicContact CB-CD2 4.18Å; F973-Y975 HydrophobicContact CB-CE2 3.59Å; F973-Y975 HydrophobicContact CG-CE2 4.45Å |
| 976 | K | 88.4 | Confident | 96.8 | Very high | 189 Ų | 189 | 42.7 Ų | 42.7 | 82% | 0.822 | 18% | 0.184 | S | C | * | . | trans | -83.2 | 0 | 177.8 | -66.2 | -174.7 | -174.7 | 160.4 | 0 | 113.6 | T792 Q793 | T792-K976 VanDerWaalsContact O-CD 3.3Å; T792-K976 WeakPolarHBondContact O-CD 3.37Å; T792-K976 VanDerWaalsContact O-CE 3.25Å; T792-K976 WeakPolarHBondContact O-CE 3.24Å; T792-K976 PolarHBondContact O-NZ 2.8Å; Q793-K976 PolarHBondContact O-N 2.81Å |
Retrieved 976 of 976 residues in 1065.6 ms
(Link to these results)