| 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 | 47 | Very low | 72 | Confident | 79 Ų | 79 | 88.9 Ų | 88.9 | 39% | 0.389 | 46% | 0.455 | S | S | . | . | 0 | -16.3 | 0 | -97.7 | -175.9 | -73.2 | 0 | 0 | 112.9 | D3 H115 E116 | M1-D3 PolarHBondContact O-N 3.17Å; M1-H115 WeakPolarHBondContact CE-O 3.15Å; M1-E116 WeakPolarHBondContact CE-O 3.32Å | |||
| 2 | E | 39.8 | Very low | 73.2 | Confident | 149 Ų | 149 | 82.5 Ų | 82.5 | 70% | 0.696 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -69.5 | -29 | -176.9 | -67.5 | -175.7 | 140.9 | 0 | 0 | 114.4 | Q4 L5 | E2-Q4 PolarHBondContact O-N 3.05Å; E2-L5 PolarHBondContact O-N 3.13Å |
| 3 | D | 48.6 | Very low | 74.5 | Confident | 167 Ų | 167 | 85.3 Ų | 85.3 | 89% | 0.893 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -66.1 | 2.7 | -178.3 | -60.9 | -29.6 | 0 | 0 | 0 | 115.7 | M1 | M1-D3 PolarHBondContact O-N 3.17Š|
| 4 | Q | 66.1 | Low | 75.8 | Confident | 47 Ų | 47 | 81.3 Ų | 81.3 | 22% | 0.22 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -123.5 | 6 | -178.2 | -66.5 | -158 | -26.9 | 0 | 0 | 114.4 | E2 Y40 S41 | E2-Q4 PolarHBondContact O-N 3.05Å; Q4-Y40 CarbonylContact O-C 3.47Å; Q4-Y40 WeakPolarHBondContact O-CA 3.15Å; Q4-S41 WeakPolarHBondContact CB-OG 3.47Å; Q4-S41 PolarHBondContact O-N 3.26Å; Q4-S41 PolarHBondContact O-OG 2.98Å |
| 5 | L | 81.1 | Confident | 76.9 | Confident | 31 Ų | 31 | 81.6 Ų | 81.6 | 16% | 0.162 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 119.1 | 179.2 | -68.4 | 167.3 | 0 | 0 | 0 | 109.9 | E2 R38 Q39 Y40 L50 | E2-L5 PolarHBondContact O-N 3.13Å; L5-R38 HydrophobicContact CB-CB 4.19Å; L5-R38 HydrophobicContact CD2-CB 4.01Å; L5-Q39 CarbonylContact C-O 3.59Å; L5-Q39 WeakPolarHBondContact CA-O 3.1Å; L5-Y40 HydrophobicContact CD2-CD1 3.77Å; L5-Y40 HydrophobicContact CD2-CD2 4.19Å; L5-Y40 HydrophobicContact CD2-CE1 3.74Å; L5-Y40 HydrophobicContact CD2-CE2 4.18Å; L5-Y40 HydrophobicContact CD2-CG 4.02Å; L5-Y40 HydrophobicContact CG-CE1 4.4Å; L5-L50 HydrophobicContact CD1-CD2 3.53Å; L5-L50 HydrophobicContact CD2-CB 3.89Å; L5-L50 HydrophobicContact CD2-CD2 4.23Å |
| 6 | T | 84.5 | Confident | 77.9 | Confident | 52 Ų | 52 | 79.5 Ų | 79.5 | 32% | 0.319 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 166.7 | 172.6 | 68.8 | 0 | 0 | 0 | 0 | 110.2 | Q39 | T6-Q39 PolarHBondContact N-O 2.88Å; T6-Q39 PolarHBondContact O-N 3.48Å |
| 7 | S | 86.4 | Confident | 78.7 | Confident | 103 Ų | 103 | 76.9 Ų | 76.9 | 72% | 0.72 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 151.6 | 159.6 | 53.9 | 0 | 0 | 0 | 0 | 109.9 | R9 | S7-R9 PolarHBondContact O-N 2.91Š|
| 8 | V | 87.7 | Confident | 79.5 | Confident | 25 Ų | 25 | 75.5 Ų | 75.5 | 15% | 0.152 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 120.7 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | H12 K13 V37 Q39 F49 | V8-H12 HydrophobicContact CG1-CB 4.42Å; V8-K13 HydrophobicContact CB-CG 4.45Å; V8-K13 HydrophobicContact CG1-CB 4.45Å; V8-K13 HydrophobicContact CG1-CG 3.86Å; V8-V37 HydrophobicContact CG2-CB 4.5Å; V8-V37 HydrophobicContact CG2-CG1 3.8Å; V8-Q39 HydrophobicContact CG2-CB 4.41Å; V8-F49 HydrophobicContact CG1-CE1 3.97Å; V8-F49 HydrophobicContact CG2-CD1 4.19Å; V8-F49 HydrophobicContact CG2-CE1 4.35Å |
| 9 | R | 84.9 | Confident | 80.3 | Confident | 67 Ų | 67 | 71.5 Ų | 71.5 | 25% | 0.253 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 144.1 | 179.3 | -59.7 | 175.3 | -169.4 | 167.3 | 0.3 | 109.6 | S7 Q11 H12 K13 Q44 | S7-R9 PolarHBondContact O-N 2.91Å; R9-Q11 VanDerWaalsContact C-N 3.32Å; R9-Q11 PolarHBondContact O-N 3.27Å; R9-H12 WeakPolarHBondContact O-CA 3.47Å; R9-H12 PolarHBondContact O-N 3.28Å; R9-K13 PolarHBondContact O-N 3.08Å; R9-Q44 VanDerWaalsContact NH1-NE2 3.12Å |
| 10 | E | 83.8 | Confident | 80.9 | Confident | 141 Ų | 141 | 70.4 Ų | 70.4 | 66% | 0.659 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -50.2 | -48.9 | -173.1 | -68.8 | -55.6 | 138.2 | 0 | 0 | 113.3 | H12 K13 | E10-H12 PolarHBondContact O-N 3.42Å; E10-K13 PolarHBondContact O-N 3.3Å; E10-K13 WeakPolarHBondContact OE1-CE 3.43Å; E10-K13 IonicContact OE1-NZ 3.33Å; E10-K13 PolarHBondContact OE1-NZ 3.03Å; E10-K13 WeakPolarHBondContact OE2-CD 3.48Å; E10-K13 VanDerWaalsContact OE2-CE 3.25Å; E10-K13 WeakPolarHBondContact OE2-CE 3.46Å; E10-K13 IonicContact OE2-NZ 2.96Å; E10-K13 PolarHBondContact OE2-NZ 3.07Å |
| 11 | Q | 82.4 | Confident | 81.4 | Confident | 117 Ų | 117 | 73.9 Ų | 73.9 | 55% | 0.547 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -63.8 | -8.2 | 179.3 | 71.4 | -155.6 | 28.8 | 0 | 0 | 114.8 | R9 P65 | R9-Q11 VanDerWaalsContact C-N 3.32Å; R9-Q11 PolarHBondContact O-N 3.27Å; Q11-P65 VanDerWaalsContact O-CG 3.23Å; Q11-P65 WeakPolarHBondContact O-CG 3.47Å |
| 12 | H | 86.3 | Confident | 83.6 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 6% | 0.056 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -120.4 | 3.7 | -178.1 | -63.1 | -43 | 0 | 0 | 0 | 113.6 | V8 R9 E10 F14 Q39 F49 | V8-H12 HydrophobicContact CG1-CB 4.42Å; R9-H12 WeakPolarHBondContact O-CA 3.47Å; R9-H12 PolarHBondContact O-N 3.28Å; E10-H12 PolarHBondContact O-N 3.42Å; H12-F14 WeakPolarHBondContact O-CD1 3.32Å; H12-Q39 PolarHBondContact CD2-NE2 3.35Å; H12-F49 HydrophobicContact CB-CE1 4.33Å; H12-F49 HydrophobicContact CB-CZ 3.99Å |
| 13 | K | 89.6 | Confident | 86.1 | Confident | 119 Ų | 119 | 63.8 Ų | 63.8 | 52% | 0.517 | 33% | 0.326 | S | S | . | . | trans | -61 | 143.1 | 174.7 | -73.9 | -176.9 | 177.1 | 170 | 0 | 111.1 | V8 R9 E10 | V8-K13 HydrophobicContact CB-CG 4.45Å; V8-K13 HydrophobicContact CG1-CB 4.45Å; V8-K13 HydrophobicContact CG1-CG 3.86Å; R9-K13 PolarHBondContact O-N 3.08Å; E10-K13 PolarHBondContact O-N 3.3Å; E10-K13 WeakPolarHBondContact OE1-CE 3.43Å; E10-K13 IonicContact OE1-NZ 3.33Å; E10-K13 PolarHBondContact OE1-NZ 3.03Å; E10-K13 WeakPolarHBondContact OE2-CD 3.48Å; E10-K13 VanDerWaalsContact OE2-CE 3.25Å; E10-K13 WeakPolarHBondContact OE2-CE 3.46Å; E10-K13 IonicContact OE2-NZ 2.96Å; E10-K13 PolarHBondContact OE2-NZ 3.07Å | ||
| 14 | F | 92.4 | Very high | 88.2 | Confident | 29 Ų | 29 | 61 Ų | 61 | 13% | 0.127 | 30% | 0.304 | C | S | . | . | trans | -143.7 | 166.9 | 175.6 | 54.9 | -98.5 | 0 | 0 | 0 | 110.4 | H12 V16 L19 V37 F49 I51 K62 I105 | H12-F14 WeakPolarHBondContact O-CD1 3.32Å; F14-V16 PolarHBondContact O-N 2.99Å; F14-V16 VanDerWaalsContact O-N 3.12Å; F14-L19 HydrophobicContact CE2-CD2 3.71Å; F14-L19 HydrophobicContact CZ-CD2 4.41Å; F14-V37 HydrophobicContact CZ-CG1 3.87Å; F14-F49 HydrophobicContact CE1-CD1 4.06Å; F14-F49 HydrophobicContact CE1-CD2 4.05Å; F14-F49 HydrophobicContact CE1-CE1 4.04Å; F14-F49 HydrophobicContact CE1-CE2 4.03Å; F14-F49 HydrophobicContact CE1-CG 4.08Å; F14-F49 HydrophobicContact CE1-CZ 4.03Å; F14-F49 HydrophobicContact CZ-CG 4.39Å; F14-I51 HydrophobicContact CZ-CD1 4.47Å; F14-K62 HydrophobicContact CD1-CD 4.05Å; F14-K62 HydrophobicContact CE1-CD 4.28Å; F14-I105 HydrophobicContact CB-CB 3.89Å; F14-I105 WeakPolarHBondContact CB-O 3.46Å; F14-I105 HydrophobicContact CD2-CB 4.01Å; F14-I105 HydrophobicContact CD2-CG2 3.85Å; F14-I105 HydrophobicContact CE2-CG2 4.41Å; F14-I105 HydrophobicContact CG-CB 4.03Å; F14-I105 HydrophobicContact CG-CG2 4.39Å | ||
| 15 | N | 92.4 | Very high | 89.4 | Confident | 86 Ų | 86 | 64.6 Ų | 64.6 | 46% | 0.46 | 32% | 0.321 | S | S | . | . | trans | -74.7 | 102.2 | -177 | -171.2 | -36.9 | 0 | 0 | 0 | 111.2 | G17 N18 L19 | N15-G17 VanDerWaalsContact C-N 3.3Å; N15-G17 PolarHBondContact O-N 3.03Å; N15-G17 WeakPolarHBondContact OD1-CA 3.48Å; N15-G17 PolarHBondContact OD1-N 2.96Å; N15-N18 HydrophobicContact CB-CB 4.13Å; N15-N18 PolarHBondContact O-N 3.16Å; N15-N18 PolarHBondContact OD1-N 3.25Å; N15-L19 PolarHBondContact O-N 3.2Å | ||
| 16 | V | 92.7 | Very high | 90 | Very high | 48 Ų | 48 | 68 Ų | 68 | 29% | 0.291 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.8 | -32.9 | 179.8 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | F14 L19 Q20 L35 V37 | F14-V16 PolarHBondContact O-N 2.99Å; F14-V16 VanDerWaalsContact O-N 3.12Å; V16-L19 PolarHBondContact O-N 3.4Å; V16-Q20 WeakPolarHBondContact O-CB 3.41Å; V16-Q20 PolarHBondContact O-N 3.11Å; V16-L35 HydrophobicContact CG1-CB 3.87Å; V16-L35 HydrophobicContact CG1-CD1 4.46Å; V16-V37 HydrophobicContact CG1-CG2 3.93Å; V16-V37 HydrophobicContact CG2-CG2 3.87Å |
| 17 | G | 91.5 | Very high | 90.3 | Very high | 36 Ų | 36 | 70.8 Ų | 70.8 | 37% | 0.371 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | N15 Q20 R21 | N15-G17 VanDerWaalsContact C-N 3.3Å; N15-G17 PolarHBondContact O-N 3.03Å; N15-G17 WeakPolarHBondContact OD1-CA 3.48Å; N15-G17 PolarHBondContact OD1-N 2.96Å; G17-Q20 PolarHBondContact O-N 3.34Å; G17-R21 PolarHBondContact O-N 2.79Å |
| 18 | N | 93.4 | Very high | 90.4 | Very high | 51 Ų | 51 | 67.8 Ų | 67.8 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 173.2 | -75.3 | -1.2 | 0 | 0 | 0 | 111.5 | N15 Q20 R21 Y22 V104 | N15-N18 HydrophobicContact CB-CB 4.13Å; N15-N18 PolarHBondContact O-N 3.16Å; N15-N18 PolarHBondContact OD1-N 3.25Å; N18-Q20 VanDerWaalsContact C-N 3.33Å; N18-Q20 PolarHBondContact O-N 3.16Å; N18-R21 PolarHBondContact O-N 3.03Å; N18-R21 PolarHBondContact OD1-NH1 3.49Å; N18-R21 VanDerWaalsContact OD1-NH1 3.08Å; N18-Y22 WeakPolarHBondContact O-CB 3.39Å; N18-Y22 PolarHBondContact O-N 3.01Å; N18-V104 WeakPolarHBondContact CB-O 3.36Å |
| 19 | L | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.2 | -46 | 173.3 | -179.6 | 62.1 | 0 | 0 | 0 | 111.1 | F14 N15 V16 R21 Y22 L23 I51 L60 I105 F109 | F14-L19 HydrophobicContact CE2-CD2 3.71Å; F14-L19 HydrophobicContact CZ-CD2 4.41Å; N15-L19 PolarHBondContact O-N 3.2Å; V16-L19 PolarHBondContact O-N 3.4Å; L19-R21 PolarHBondContact O-N 3.23Å; L19-Y22 PolarHBondContact O-N 2.73Å; L19-L23 HydrophobicContact CD1-CD1 4.02Å; L19-L23 HydrophobicContact CD1-CD2 4.36Å; L19-L23 HydrophobicContact CD1-CG 3.96Å; L19-L23 HydrophobicContact CG-CD1 3.94Å; L19-L23 HydrophobicContact CG-CG 4.25Å; L19-L23 WeakPolarHBondContact O-CB 3.38Å; L19-L23 VanDerWaalsContact O-CG 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.49Å; L19-L23 PolarHBondContact O-N 2.95Å; L19-I51 HydrophobicContact CD2-CD1 4.1Å; L19-L60 HydrophobicContact CD1-CD1 3.91Å; L19-L60 HydrophobicContact CD2-CD1 3.68Å; L19-L60 HydrophobicContact CG-CD1 4.48Å; L19-I105 HydrophobicContact CB-CG2 3.83Å; L19-I105 HydrophobicContact CD1-CG2 4.03Å; L19-I105 HydrophobicContact CG-CG2 4.36Å; L19-F109 HydrophobicContact CD1-CE2 3.79Å; L19-F109 HydrophobicContact CD1-CZ 3.67Å |
| 20 | Q | 92.3 | Very high | 90.5 | Very high | 49 Ų | 49 | 67.1 Ų | 67.1 | 23% | 0.229 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60 | -46.4 | 178.6 | -176.1 | 174.2 | -27.1 | 0 | 0 | 112.4 | V16 G17 N18 Y22 L23 Y24 D33 L35 | V16-Q20 WeakPolarHBondContact O-CB 3.41Å; V16-Q20 PolarHBondContact O-N 3.11Å; G17-Q20 PolarHBondContact O-N 3.34Å; N18-Q20 VanDerWaalsContact C-N 3.33Å; N18-Q20 PolarHBondContact O-N 3.16Å; Q20-Y22 VanDerWaalsContact C-N 3.33Å; Q20-Y22 PolarHBondContact O-N 3.29Å; Q20-L23 PolarHBondContact O-N 3.09Å; Q20-Y24 WeakPolarHBondContact O-CB 3.37Å; Q20-Y24 PolarHBondContact O-N 2.79Å; Q20-D33 VanDerWaalsContact CD-O 3.22Å; Q20-D33 PolarHBondContact NE2-O 3.33Å; Q20-D33 PolarHBondContact OE1-O 3.29Å; Q20-L35 HydrophobicContact CB-CD1 3.65Å; Q20-L35 HydrophobicContact CB-CG 4.13Å; Q20-L35 HydrophobicContact CG-CD1 4.13Å; Q20-L35 HydrophobicContact CG-CG 4.15Å |
| 21 | R | 91.8 | Very high | 90.3 | Very high | 143 Ų | 143 | 67.4 Ų | 67.4 | 54% | 0.54 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 176.9 | -173.4 | -177.6 | -60 | 107.7 | 2.9 | 111.1 | G17 N18 L19 Y24 E25 | G17-R21 PolarHBondContact O-N 2.79Å; N18-R21 PolarHBondContact O-N 3.03Å; N18-R21 PolarHBondContact OD1-NH1 3.49Å; N18-R21 VanDerWaalsContact OD1-NH1 3.08Å; L19-R21 PolarHBondContact O-N 3.23Å; R21-Y24 PolarHBondContact O-N 3.14Å; R21-E25 WeakPolarHBondContact O-CG 3.38Å; R21-E25 PolarHBondContact O-N 3.32Å |
| 22 | Y | 93.7 | Very high | 90.3 | Very high | 16 Ų | 16 | 69 Ų | 69 | 6% | 0.063 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 179.5 | -172.8 | -103.1 | 0 | 0 | 0 | 112.3 | N18 L19 Q20 Y24 E25 K26 L97 C99 V104 F109 | N18-Y22 WeakPolarHBondContact O-CB 3.39Å; N18-Y22 PolarHBondContact O-N 3.01Å; L19-Y22 PolarHBondContact O-N 2.73Å; Q20-Y22 VanDerWaalsContact C-N 3.33Å; Q20-Y22 PolarHBondContact O-N 3.29Å; Y22-Y24 VanDerWaalsContact C-N 3.3Å; Y22-Y24 PolarHBondContact O-N 3Å; Y22-E25 PolarHBondContact O-N 2.75Å; Y22-K26 HydrophobicContact CE1-CG 4.27Å; Y22-K26 WeakPolarHBondContact O-CG 3.45Å; Y22-K26 PolarHBondContact O-N 3.09Å; Y22-K26 VanDerWaalsContact O-N 3.08Å; Y22-L97 HydrophobicContact CD1-CD2 4Å; Y22-L97 HydrophobicContact CE1-CD1 4.44Å; Y22-L97 HydrophobicContact CE1-CD2 3.56Å; Y22-L97 HydrophobicContact CE1-CG 4.26Å; Y22-C99 HydrophobicContact CE1-CB 3.76Å; Y22-C99 VanDerWaalsContact CZ-SG 3.59Å; Y22-V104 HydrophobicContact CD1-CG1 4.13Å; Y22-V104 HydrophobicContact CD2-CG1 4.25Å; Y22-V104 HydrophobicContact CD2-CG2 3.75Å; Y22-V104 HydrophobicContact CE2-CG2 4.01Å; Y22-V104 HydrophobicContact CG-CG1 3.77Å; Y22-V104 HydrophobicContact CG-CG2 4.11Å; Y22-F109 HydrophobicContact CD1-CZ 4.1Å; Y22-F109 HydrophobicContact CE1-CZ 4.16Å |
| 23 | L | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.9 | -32.7 | 178.1 | -66.5 | -178.9 | 0 | 0 | 0 | 112.6 | L19 Q20 K26 S27 L28 V29 L35 L97 L111 | L19-L23 HydrophobicContact CD1-CD1 4.02Å; L19-L23 HydrophobicContact CD1-CD2 4.36Å; L19-L23 HydrophobicContact CD1-CG 3.96Å; L19-L23 HydrophobicContact CG-CD1 3.94Å; L19-L23 HydrophobicContact CG-CG 4.25Å; L19-L23 WeakPolarHBondContact O-CB 3.38Å; L19-L23 VanDerWaalsContact O-CG 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.49Å; L19-L23 PolarHBondContact O-N 2.95Å; Q20-L23 PolarHBondContact O-N 3.09Å; L23-K26 CarbonylContact O-C 3.45Å; L23-K26 PolarHBondContact O-N 3.45Å; L23-S27 PolarHBondContact O-N 3.41Å; L23-L28 HydrophobicContact CD2-CD1 4.03Å; L23-L28 PolarHBondContact O-N 2.89Å; L23-V29 HydrophobicContact CB-CB 4.48Å; L23-V29 HydrophobicContact CB-CG1 4.06Å; L23-V29 HydrophobicContact CB-CG2 3.63Å; L23-V29 HydrophobicContact CD1-CG1 4.26Å; L23-L35 HydrophobicContact CD1-CD1 4.31Å; L23-L97 HydrophobicContact CD2-CD2 3.64Å; L23-L111 HydrophobicContact CD2-CD2 3.92Å |
| 24 | Y | 91.9 | Very high | 90.1 | Very high | 109 Ų | 109 | 68.8 Ų | 68.8 | 43% | 0.427 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 173.9 | 169.4 | -105.9 | 0 | 0 | 0 | 111.4 | Q20 R21 Y22 K26 S27 V29 K31 | Q20-Y24 WeakPolarHBondContact O-CB 3.37Å; Q20-Y24 PolarHBondContact O-N 2.79Å; R21-Y24 PolarHBondContact O-N 3.14Å; Y22-Y24 VanDerWaalsContact C-N 3.3Å; Y22-Y24 PolarHBondContact O-N 3Å; Y24-K26 PolarHBondContact O-N 3.37Å; Y24-S27 WeakPolarHBondContact O-CA 3.43Å; Y24-S27 PolarHBondContact O-N 3.29Å; Y24-V29 WeakPolarHBondContact CD2-O 3.43Å; Y24-K31 HydrophobicContact CD2-CB 3.89Å; Y24-K31 VanDerWaalsContact CD2-N 3.34Å; Y24-K31 HydrophobicContact CE2-CB 3.59Å; Y24-K31 HydrophobicContact CE2-CG 4.4Å; Y24-K31 HydrophobicContact CG-CB 4.49Å |
| 25 | E | 92.4 | Very high | 90 | Very high | 123 Ų | 123 | 68.2 Ų | 68.2 | 58% | 0.575 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.3 | -31.2 | 176 | -72.2 | 169.9 | -171.4 | 0 | 0 | 112.3 | R21 Y22 S27 | R21-E25 WeakPolarHBondContact O-CG 3.38Å; R21-E25 PolarHBondContact O-N 3.32Å; Y22-E25 PolarHBondContact O-N 2.75Å; E25-S27 VanDerWaalsContact C-N 3.27Å; E25-S27 PolarHBondContact O-N 2.96Å |
| 26 | K | 92.1 | Very high | 90.1 | Very high | 101 Ų | 101 | 67.6 Ų | 67.6 | 44% | 0.439 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 7 | 173.3 | -59.1 | -61.9 | -179 | -175.5 | 0 | 114.1 | Y22 L23 Y24 L28 L97 | Y22-K26 HydrophobicContact CE1-CG 4.27Å; Y22-K26 WeakPolarHBondContact O-CG 3.45Å; Y22-K26 PolarHBondContact O-N 3.09Å; Y22-K26 VanDerWaalsContact O-N 3.08Å; L23-K26 CarbonylContact O-C 3.45Å; L23-K26 PolarHBondContact O-N 3.45Å; Y24-K26 PolarHBondContact O-N 3.37Å; K26-L28 VanDerWaalsContact C-N 3.25Å; K26-L28 HydrophobicContact CB-CD1 4.36Å; K26-L28 HydrophobicContact CB-CG 4.48Å; K26-L28 PolarHBondContact O-N 3.39Å; K26-L97 HydrophobicContact CB-CD1 4.4Å; K26-L97 HydrophobicContact CB-CD2 4.45Å; K26-L97 HydrophobicContact CD-CD1 4.11Å; K26-L97 HydrophobicContact CG-CD1 3.9Å; K26-L97 HydrophobicContact CG-CD2 4.15Å |
| 27 | S | 91.1 | Very high | 90.1 | Very high | 112 Ų | 112 | 66.7 Ų | 66.7 | 78% | 0.783 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 28.4 | 178.7 | -54.7 | 0 | 0 | 0 | 0 | 114.8 | L23 Y24 E25 | L23-S27 PolarHBondContact O-N 3.41Å; Y24-S27 WeakPolarHBondContact O-CA 3.43Å; Y24-S27 PolarHBondContact O-N 3.29Å; E25-S27 VanDerWaalsContact C-N 3.27Å; E25-S27 PolarHBondContact O-N 2.96Å |
| 28 | L | 88.1 | Confident | 90.2 | Very high | 39 Ų | 39 | 68.3 Ų | 68.3 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -96.3 | -21.6 | 178.5 | -69.6 | 171.3 | 0 | 0 | 0 | 113.3 | L23 K26 Y58 L96 L97 L111 | L23-L28 HydrophobicContact CD2-CD1 4.03Å; L23-L28 PolarHBondContact O-N 2.89Å; K26-L28 VanDerWaalsContact C-N 3.25Å; K26-L28 HydrophobicContact CB-CD1 4.36Å; K26-L28 HydrophobicContact CB-CG 4.48Å; K26-L28 PolarHBondContact O-N 3.39Å; L28-Y58 PolarHBondContact O-OH 2.94Å; L28-L96 HydrophobicContact CD2-CB 4.43Å; L28-L97 HydrophobicContact CD1-CB 4.01Å; L28-L97 HydrophobicContact CD1-CD2 3.94Å; L28-L111 HydrophobicContact CD1-CD2 4.07Å |
| 29 | V | 88.7 | Confident | 90 | Very high | 10 Ų | 10 | 66.1 Ų | 66.1 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -137.3 | 157 | 177.6 | -54.8 | 0 | 0 | 0 | 0 | 110.1 | L23 Y24 L35 T53 Y58 | L23-V29 HydrophobicContact CB-CB 4.48Å; L23-V29 HydrophobicContact CB-CG1 4.06Å; L23-V29 HydrophobicContact CB-CG2 3.63Å; L23-V29 HydrophobicContact CD1-CG1 4.26Å; Y24-V29 WeakPolarHBondContact CD2-O 3.43Å; V29-L35 HydrophobicContact CG1-CD2 4.32Å; V29-T53 HydrophobicContact CB-CG2 4.28Å; V29-T53 HydrophobicContact CG1-CG2 3.69Å; V29-Y58 HydrophobicContact CG1-CE2 4.06Å |
| 30 | S | 86.8 | Confident | 89.7 | Confident | 68 Ų | 68 | 67.4 Ų | 67.4 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | trans | -82.1 | 151.9 | 175.3 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | N32 D33 | S30-N32 PolarHBondContact O-N 3.46Å; S30-N32 VanDerWaalsContact O-N 3.09Å; S30-D33 WeakPolarHBondContact CB-OD2 3.22Å; S30-D33 PolarHBondContact N-OD2 3.03Å; S30-D33 WeakPolarHBondContact O-CB 3.49Å; S30-D33 PolarHBondContact O-N 3.01Å | ||
| 31 | K | 79.8 | Confident | 88.8 | Confident | 147 Ų | 147 | 67.1 Ų | 67.1 | 64% | 0.639 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -31.9 | 179.4 | -166.4 | 176.5 | 178.4 | -178.9 | 0 | 113.2 | Y24 | Y24-K31 HydrophobicContact CD2-CB 3.89Å; Y24-K31 VanDerWaalsContact CD2-N 3.34Å; Y24-K31 HydrophobicContact CE2-CB 3.59Å; Y24-K31 HydrophobicContact CE2-CG 4.4Å; Y24-K31 HydrophobicContact CG-CB 4.49Å |
| 32 | N | 81.5 | Confident | 87.5 | Confident | 151 Ų | 151 | 62 Ų | 62 | 81% | 0.807 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 2.6 | -177.2 | -63.3 | -16.8 | 0 | 0 | 0 | 113.6 | S30 | S30-N32 PolarHBondContact O-N 3.46Å; S30-N32 VanDerWaalsContact O-N 3.09Å |
| 33 | D | 85.4 | Confident | 86 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 11% | 0.107 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 132 | 178.6 | -72.6 | -19.5 | 0 | 0 | 0 | 110.4 | Q20 S30 T53 | Q20-D33 VanDerWaalsContact CD-O 3.22Å; Q20-D33 PolarHBondContact NE2-O 3.33Å; Q20-D33 PolarHBondContact OE1-O 3.29Å; S30-D33 WeakPolarHBondContact CB-OD2 3.22Å; S30-D33 PolarHBondContact N-OD2 3.03Å; S30-D33 WeakPolarHBondContact O-CB 3.49Å; S30-D33 PolarHBondContact O-N 3.01Å; D33-T53 HydrophobicContact CB-CG2 4.31Å |
| 34 | T | 86.3 | Confident | 84.7 | Confident | 107 Ų | 107 | 64.8 Ų | 64.8 | 66% | 0.656 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -88 | 119 | 168.7 | -56.5 | 0 | 0 | 0 | 0 | 109.2 | ||
| 35 | L | 92.1 | Very high | 83.8 | Confident | 16 Ų | 16 | 61.7 Ų | 61.7 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -82 | 123.4 | 176.7 | -63 | -170.1 | 0 | 0 | 0 | 111.9 | V16 Q20 L23 V29 I51 Q52 T53 | V16-L35 HydrophobicContact CG1-CB 3.87Å; V16-L35 HydrophobicContact CG1-CD1 4.46Å; Q20-L35 HydrophobicContact CB-CD1 3.65Å; Q20-L35 HydrophobicContact CB-CG 4.13Å; Q20-L35 HydrophobicContact CG-CD1 4.13Å; Q20-L35 HydrophobicContact CG-CG 4.15Å; L23-L35 HydrophobicContact CD1-CD1 4.31Å; V29-L35 HydrophobicContact CG1-CD2 4.32Å; L35-I51 HydrophobicContact CD1-CG2 4.2Å; L35-I51 HydrophobicContact CD2-CG2 4.1Å; L35-Q52 WeakPolarHBondContact CA-O 3.25Å; L35-T53 HydrophobicContact CD2-CG2 3.52Å |
| 36 | T | 92.8 | Very high | 83.5 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 45% | 0.448 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.7 | 165.6 | -56.3 | 0 | 0 | 0 | 0 | 109.5 | Q52 | T36-Q52 PolarHBondContact N-O 3.15Å; T36-Q52 PolarHBondContact O-N 3.49Å |
| 37 | V | 94.3 | Very high | 83.3 | Confident | 29 Ų | 29 | 51.2 Ų | 51.2 | 18% | 0.176 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.1 | -179.3 | -176.6 | 0 | 0 | 0 | 0 | 110 | V8 F14 V16 F49 L50 I51 | V8-V37 HydrophobicContact CG2-CB 4.5Å; V8-V37 HydrophobicContact CG2-CG1 3.8Å; F14-V37 HydrophobicContact CZ-CG1 3.87Å; V16-V37 HydrophobicContact CG1-CG2 3.93Å; V16-V37 HydrophobicContact CG2-CG2 3.87Å; V37-F49 HydrophobicContact CG1-CB 4.28Å; V37-F49 HydrophobicContact CG1-CD1 4.26Å; V37-L50 WeakPolarHBondContact CA-O 3.26Å; V37-I51 HydrophobicContact CB-CD1 4.28Å; V37-I51 HydrophobicContact CG1-CD1 3.82Å; V37-I51 HydrophobicContact CG2-CD1 3.76Å |
| 38 | R | 92.8 | Very high | 83.2 | Confident | 71 Ų | 71 | 46.6 Ų | 46.6 | 27% | 0.268 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 151.2 | 172.6 | -65.9 | -172.3 | -74.5 | 165.6 | -5.1 | 109.9 | L5 F49 L50 | L5-R38 HydrophobicContact CB-CB 4.19Å; L5-R38 HydrophobicContact CD2-CB 4.01Å; R38-F49 CarbonylContact O-C 3.58Å; R38-F49 VanDerWaalsContact O-CA 3.26Å; R38-F49 WeakPolarHBondContact O-CA 3.46Å; R38-L50 PolarHBondContact N-O 3.11Å; R38-L50 PolarHBondContact O-N 2.85Å |
| 39 | Q | 89.8 | Confident | 83.4 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 138.2 | -178.9 | -175.4 | 175.8 | -6.7 | 0 | 0 | 110.4 | L5 T6 V8 H12 F49 | L5-Q39 CarbonylContact C-O 3.59Å; L5-Q39 WeakPolarHBondContact CA-O 3.1Å; T6-Q39 PolarHBondContact N-O 2.88Å; T6-Q39 PolarHBondContact O-N 3.48Å; V8-Q39 HydrophobicContact CG2-CB 4.41Å; H12-Q39 PolarHBondContact CD2-NE2 3.35Å; Q39-F49 HydrophobicContact CB-CD1 3.84Å; Q39-F49 HydrophobicContact CB-CE1 3.92Å; Q39-F49 HydrophobicContact CG-CD1 3.99Å; Q39-F49 HydrophobicContact CG-CE1 3.74Å; Q39-F49 HydrophobicContact CG-CZ 4.47Å |
| 40 | Y | 86.1 | Confident | 83.7 | Confident | 28 Ų | 28 | 44.5 Ų | 44.5 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 140.2 | 170.5 | -70.5 | -86.2 | 0 | 0 | 0 | 110.8 | Q4 L5 A42 T48 L50 V59 H114 | Q4-Y40 CarbonylContact O-C 3.47Å; Q4-Y40 WeakPolarHBondContact O-CA 3.15Å; L5-Y40 HydrophobicContact CD2-CD1 3.77Å; L5-Y40 HydrophobicContact CD2-CD2 4.19Å; L5-Y40 HydrophobicContact CD2-CE1 3.74Å; L5-Y40 HydrophobicContact CD2-CE2 4.18Å; L5-Y40 HydrophobicContact CD2-CG 4.02Å; L5-Y40 HydrophobicContact CG-CE1 4.4Å; Y40-A42 VanDerWaalsContact C-N 3.3Å; Y40-T48 HydrophobicContact CD2-CG2 3.71Å; Y40-T48 HydrophobicContact CE2-CG2 4.2Å; Y40-T48 PolarHBondContact N-O 2.89Å; Y40-L50 HydrophobicContact CE2-CB 3.85Å; Y40-V59 HydrophobicContact CE2-CG1 4.45Å; Y40-H114 PolarHBondContact OH-CD2 3.41Å; Y40-H114 VanDerWaalsContact OH-CD2 3.28Å; Y40-H114 PolarHBondContact OH-NE2 2.93Å; Y40-H114 VanDerWaalsContact OH-NE2 3.15Å |
| 41 | S | 74.1 | Confident | 84 | Confident | 42 Ų | 42 | 41.3 Ų | 41.3 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -71.2 | -25.6 | 176.8 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | Q4 Q44 | Q4-S41 WeakPolarHBondContact CB-OG 3.47Å; Q4-S41 PolarHBondContact O-N 3.26Å; Q4-S41 PolarHBondContact O-OG 2.98Å; S41-Q44 PolarHBondContact O-NE2 3.47Å |
| 42 | A | 65.5 | Low | 84.7 | Confident | 35 Ų | 35 | 36.7 Ų | 36.7 | 29% | 0.289 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -87.9 | 176.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y40 | Y40-A42 VanDerWaalsContact C-N 3.3Š|
| 43 | G | 61.5 | Low | 85.1 | Confident | 21 Ų | 21 | 30.3 Ų | 30.3 | 22% | 0.216 | 18% | 0.177 | C | C | . | . | trans | 74.4 | 49.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | S45 N46 | G43-S45 VanDerWaalsContact C-N 3.29Å; G43-S45 PolarHBondContact O-N 3.02Å; G43-N46 CarbonylContact O-C 3.58Å; G43-N46 VanDerWaalsContact O-O 3.1Å | ||
| 44 | Q | 65.3 | Low | 85.1 | Confident | 55 Ų | 55 | 34.5 Ų | 34.5 | 26% | 0.257 | 21% | 0.205 | S | C | . | . | trans | -71.5 | -19.7 | -174.2 | -65.5 | -59.8 | -50.9 | 0 | 0 | 114.1 | R9 S41 | R9-Q44 VanDerWaalsContact NH1-NE2 3.12Å; S41-Q44 PolarHBondContact O-NE2 3.47Å | ||
| 45 | S | 73.6 | Confident | 85 | Confident | 44 Ų | 44 | 33.7 Ų | 33.7 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -74.5 | -64.1 | 179.9 | -168.3 | 0 | 0 | 0 | 0 | 111.1 | G43 P47 H73 E236 | G43-S45 VanDerWaalsContact C-N 3.29Å; G43-S45 PolarHBondContact O-N 3.02Å; S45-P47 WeakPolarHBondContact O-CD 3.39Å; S45-H73 PolarHBondContact O-CE1 2.66Å; S45-H73 PolarHBondContact O-ND1 3.49Å; S45-H73 PolarHBondContact OG-CE1 3.4Å; S45-H73 PolarHBondContact OG-ND1 3.34Å; S45-E236 WeakPolarHBondContact CB-OE2 3.3Å; S45-E236 PolarHBondContact OG-OE1 3.25Å; S45-E236 PolarHBondContact OG-OE2 3.32Å |
| 46 | N | 85.3 | Confident | 84.9 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -104.6 | 108 | 170.2 | -70.2 | -30.1 | 0 | 0 | 0 | 109.9 | G43 T48 P64 H73 V75 E78 | G43-N46 CarbonylContact O-C 3.58Å; G43-N46 VanDerWaalsContact O-O 3.1Å; N46-T48 PolarHBondContact O-N 3.09Å; N46-T48 PolarHBondContact O-OG1 3.32Å; N46-T48 VanDerWaalsContact O-OG1 3.13Å; N46-P64 WeakPolarHBondContact OD1-CD 3.5Å; N46-H73 WeakPolarHBondContact OD1-CA 3.48Å; N46-H73 VanDerWaalsContact OD1-CB 3.22Å; N46-H73 WeakPolarHBondContact OD1-CB 3.42Å; N46-H73 PolarHBondContact OD1-ND1 3.22Å; N46-V75 HydrophobicContact CB-CG1 4.25Å; N46-E78 PolarHBondContact ND2-OE1 2.85Å |
| 47 | P | 87.6 | Confident | 84.9 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | trans | -51.5 | 126.9 | -177.6 | -30 | 35.1 | 0 | 0 | 0 | 112.5 | S45 F49 K62 P64 | S45-P47 WeakPolarHBondContact O-CD 3.39Å; P47-F49 HydrophobicContact CB-CE2 3.62Å; P47-F49 HydrophobicContact CB-CZ 3.65Å; P47-F49 WeakPolarHBondContact O-CE2 3.45Å; P47-K62 HydrophobicContact CB-CG 4.39Å; P47-K62 VanDerWaalsContact CD-O 3.31Å; P47-K62 WeakPolarHBondContact CD-O 3.19Å; P47-K62 PolarHBondContact O-N 3.15Å; P47-K62 VanDerWaalsContact O-N 3.12Å; P47-P64 HydrophobicContact CG-CB 4.27Å | ||
| 48 | T | 90.8 | Very high | 84.9 | Confident | 15 Ų | 15 | 37 Ų | 37 | 9% | 0.092 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 132.7 | -175.1 | -54.2 | 0 | 0 | 0 | 0 | 110.7 | Y40 N46 V59 L60 R61 | Y40-T48 HydrophobicContact CD2-CG2 3.71Å; Y40-T48 HydrophobicContact CE2-CG2 4.2Å; Y40-T48 PolarHBondContact N-O 2.89Å; N46-T48 PolarHBondContact O-N 3.09Å; N46-T48 PolarHBondContact O-OG1 3.32Å; N46-T48 VanDerWaalsContact O-OG1 3.13Å; T48-V59 HydrophobicContact CG2-CG1 3.41Å; T48-V59 VanDerWaalsContact CG2-CG1 3.41Å; T48-L60 CarbonylContact C-O 3.55Å; T48-L60 WeakPolarHBondContact CA-O 3.46Å; T48-R61 HydrophobicContact CG2-CG 3.85Å; T48-R61 WeakPolarHBondContact OG1-CG 3.36Å |
| 49 | F | 92.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.5 | -175.3 | -52.1 | -91.3 | 0 | 0 | 0 | 111.4 | V8 H12 F14 V37 R38 Q39 P47 I51 V59 L60 K62 | V8-F49 HydrophobicContact CG1-CE1 3.97Å; V8-F49 HydrophobicContact CG2-CD1 4.19Å; V8-F49 HydrophobicContact CG2-CE1 4.35Å; H12-F49 HydrophobicContact CB-CE1 4.33Å; H12-F49 HydrophobicContact CB-CZ 3.99Å; F14-F49 HydrophobicContact CE1-CD1 4.06Å; F14-F49 HydrophobicContact CE1-CD2 4.05Å; F14-F49 HydrophobicContact CE1-CE1 4.04Å; F14-F49 HydrophobicContact CE1-CE2 4.03Å; F14-F49 HydrophobicContact CE1-CG 4.08Å; F14-F49 HydrophobicContact CE1-CZ 4.03Å; F14-F49 HydrophobicContact CZ-CG 4.39Å; V37-F49 HydrophobicContact CG1-CB 4.28Å; V37-F49 HydrophobicContact CG1-CD1 4.26Å; R38-F49 CarbonylContact O-C 3.58Å; R38-F49 VanDerWaalsContact O-CA 3.26Å; R38-F49 WeakPolarHBondContact O-CA 3.46Å; Q39-F49 HydrophobicContact CB-CD1 3.84Å; Q39-F49 HydrophobicContact CB-CE1 3.92Å; Q39-F49 HydrophobicContact CG-CD1 3.99Å; Q39-F49 HydrophobicContact CG-CE1 3.74Å; Q39-F49 HydrophobicContact CG-CZ 4.47Å; P47-F49 HydrophobicContact CB-CE2 3.62Å; P47-F49 HydrophobicContact CB-CZ 3.65Å; P47-F49 WeakPolarHBondContact O-CE2 3.45Å; F49-I51 HydrophobicContact CB-CD1 4.17Å; F49-V59 CarbonylContact O-C 3.51Å; F49-V59 WeakPolarHBondContact O-CA 3.39Å; F49-L60 HydrophobicContact CB-CB 4.39Å; F49-L60 HydrophobicContact CD2-CD2 3.75Å; F49-L60 HydrophobicContact CE2-CD2 4.38Å; F49-L60 PolarHBondContact N-O 3.11Å; F49-L60 PolarHBondContact O-N 3.48Å; F49-K62 HydrophobicContact CE2-CD 3.67Å; F49-K62 HydrophobicContact CE2-CG 3.87Å; F49-K62 HydrophobicContact CZ-CD 4.2Å |
| 50 | L | 93.4 | Very high | 85.2 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 122.6 | 165.5 | -179.6 | 66.6 | 0 | 0 | 0 | 108.6 | L5 V37 R38 Y40 Q52 H114 | L5-L50 HydrophobicContact CD1-CD2 3.53Å; L5-L50 HydrophobicContact CD2-CB 3.89Å; L5-L50 HydrophobicContact CD2-CD2 4.23Å; V37-L50 WeakPolarHBondContact CA-O 3.26Å; R38-L50 PolarHBondContact N-O 3.11Å; R38-L50 PolarHBondContact O-N 2.85Å; Y40-L50 HydrophobicContact CE2-CB 3.85Å; L50-Q52 HydrophobicContact CD1-CG 4.2Å; L50-Q52 HydrophobicContact CD2-CG 3.8Å; L50-Q52 HydrophobicContact CG-CG 3.66Å; L50-H114 HydrophobicContact CD1-CB 4.47Å |
| 51 | I | 94.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.9 | 174.5 | -47.1 | -59.8 | 0 | 0 | 0 | 107.6 | F14 L19 L35 V37 F49 S57 Y58 L60 L111 | F14-I51 HydrophobicContact CZ-CD1 4.47Å; L19-I51 HydrophobicContact CD2-CD1 4.1Å; L35-I51 HydrophobicContact CD1-CG2 4.2Å; L35-I51 HydrophobicContact CD2-CG2 4.1Å; V37-I51 HydrophobicContact CB-CD1 4.28Å; V37-I51 HydrophobicContact CG1-CD1 3.82Å; V37-I51 HydrophobicContact CG2-CD1 3.76Å; F49-I51 HydrophobicContact CB-CD1 4.17Å; I51-S57 CarbonylContact O-C 3.57Å; I51-S57 WeakPolarHBondContact O-CA 3.38Å; I51-Y58 PolarHBondContact N-O 3.36Å; I51-Y58 PolarHBondContact O-N 3.44Å; I51-L60 HydrophobicContact CD1-CB 4.16Å; I51-L60 HydrophobicContact CD1-CD1 4.38Å; I51-L60 HydrophobicContact CG1-CB 3.8Å; I51-L60 HydrophobicContact CG1-CD1 4.38Å; I51-L111 HydrophobicContact CG1-CD1 4.36Å |
| 52 | Q | 92.9 | Very high | 86.3 | Confident | 51 Ų | 51 | 31.7 Ų | 31.7 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 133.7 | -177.6 | -54.6 | -173.9 | -94.6 | 0 | 0 | 110.8 | L35 T36 L50 | L35-Q52 WeakPolarHBondContact CA-O 3.25Å; T36-Q52 PolarHBondContact N-O 3.15Å; T36-Q52 PolarHBondContact O-N 3.49Å; L50-Q52 HydrophobicContact CD1-CG 4.2Å; L50-Q52 HydrophobicContact CD2-CG 3.8Å; L50-Q52 HydrophobicContact CG-CG 3.66Å |
| 53 | T | 90.6 | Very high | 87.4 | Confident | 16 Ų | 16 | 33.1 Ų | 33.1 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | trans | -108.6 | 170.8 | 166 | 67.4 | 0 | 0 | 0 | 0 | 108.6 | V29 D33 L35 S55 R56 Y58 | V29-T53 HydrophobicContact CB-CG2 4.28Å; V29-T53 HydrophobicContact CG1-CG2 3.69Å; D33-T53 HydrophobicContact CB-CG2 4.31Å; L35-T53 HydrophobicContact CD2-CG2 3.52Å; T53-S55 PolarHBondContact O-N 3.33Å; T53-S55 VanDerWaalsContact O-N 3.16Å; T53-S55 PolarHBondContact OG1-N 3.29Å; T53-R56 PolarHBondContact N-O 2.83Å; T53-R56 PolarHBondContact OG1-N 2.8Å; T53-R56 PolarHBondContact OG1-O 3.27Å; T53-Y58 HydrophobicContact CG2-CE2 4.14Å | ||
| 54 | P | 86.1 | Confident | 88.5 | Confident | 108 Ų | 108 | 32.9 Ų | 32.9 | 70% | 0.701 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -59.4 | -22.2 | 173 | -26.1 | 36.1 | 0 | 0 | 0 | 114.8 | ||
| 55 | S | 84.4 | Confident | 89.1 | Confident | 90 Ų | 90 | 33.7 Ų | 33.7 | 63% | 0.629 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -113.8 | -23.9 | -172 | 63.6 | 0 | 0 | 0 | 0 | 114.7 | T53 | T53-S55 PolarHBondContact O-N 3.33Å; T53-S55 VanDerWaalsContact O-N 3.16Å; T53-S55 PolarHBondContact OG1-N 3.29Å |
| 56 | R | 89.4 | Confident | 89.2 | Confident | 165 Ų | 165 | 34.8 Ų | 34.8 | 62% | 0.623 | 20% | 0.203 | S | C | * | . | trans | -152.1 | 154.1 | -174.1 | -67.7 | -171 | 176.3 | -173.1 | -2.7 | 112.8 | T53 Y58 | T53-R56 PolarHBondContact N-O 2.83Å; T53-R56 PolarHBondContact OG1-N 2.8Å; T53-R56 PolarHBondContact OG1-O 3.27Å; R56-Y58 HydrophobicContact CB-CE2 4.19Å | ||
| 57 | S | 92.3 | Very high | 88.4 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 147 | 171.4 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | I51 H114 E116 | I51-S57 CarbonylContact O-C 3.57Å; I51-S57 WeakPolarHBondContact O-CA 3.38Å; S57-H114 WeakPolarHBondContact O-CB 3.36Å; S57-E116 WeakPolarHBondContact CB-OE1 3.16Å; S57-E116 PolarHBondContact OG-OE1 2.81Å |
| 58 | Y | 94.4 | Very high | 87.6 | Confident | 11 Ų | 11 | 47.1 Ų | 47.1 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 155.4 | 179.4 | -53.2 | -75.8 | 0 | 0 | 0 | 110.9 | L28 V29 I51 T53 R56 L96 L111 | L28-Y58 PolarHBondContact O-OH 2.94Å; V29-Y58 HydrophobicContact CG1-CE2 4.06Å; I51-Y58 PolarHBondContact N-O 3.36Å; I51-Y58 PolarHBondContact O-N 3.44Å; T53-Y58 HydrophobicContact CG2-CE2 4.14Å; R56-Y58 HydrophobicContact CB-CE2 4.19Å; Y58-L96 HydrophobicContact CD1-CD1 3.41Å; Y58-L96 VanDerWaalsContact CD1-CD1 3.41Å; Y58-L96 HydrophobicContact CE1-CD1 3.59Å; Y58-L111 HydrophobicContact CD1-CD2 3.97Å; Y58-L111 HydrophobicContact CD1-CG 4.48Å; Y58-L111 HydrophobicContact CD2-CD2 4.45Å; Y58-L111 HydrophobicContact CG-CD2 3.87Å; Y58-L111 HydrophobicContact CG-CG 4.32Å |
| 59 | V | 94.1 | Very high | 86.4 | Confident | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.3 | 170 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | Y40 T48 F49 L111 M112 H114 | Y40-V59 HydrophobicContact CE2-CG1 4.45Å; T48-V59 HydrophobicContact CG2-CG1 3.41Å; T48-V59 VanDerWaalsContact CG2-CG1 3.41Å; F49-V59 CarbonylContact O-C 3.51Å; F49-V59 WeakPolarHBondContact O-CA 3.39Å; V59-L111 WeakPolarHBondContact O-CA 3.45Å; V59-M112 HydrophobicContact CB-CE 3.72Å; V59-M112 HydrophobicContact CB-CG 3.86Å; V59-M112 HydrophobicContact CG1-CE 3.43Å; V59-M112 VanDerWaalsContact CG1-CE 3.43Å; V59-M112 HydrophobicContact CG2-CE 4.44Å; V59-M112 PolarHBondContact N-O 3.28Å; V59-M112 PolarHBondContact O-N 3.45Å; V59-H114 HydrophobicContact CG2-CB 3.95Å |
| 60 | L | 94.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.9 | 175.2 | -174.2 | 152.2 | 0 | 0 | 0 | 109.4 | L19 T48 F49 I51 K62 I105 F109 Y110 L111 | L19-L60 HydrophobicContact CD1-CD1 3.91Å; L19-L60 HydrophobicContact CD2-CD1 3.68Å; L19-L60 HydrophobicContact CG-CD1 4.48Å; T48-L60 CarbonylContact C-O 3.55Å; T48-L60 WeakPolarHBondContact CA-O 3.46Å; F49-L60 HydrophobicContact CB-CB 4.39Å; F49-L60 HydrophobicContact CD2-CD2 3.75Å; F49-L60 HydrophobicContact CE2-CD2 4.38Å; F49-L60 PolarHBondContact N-O 3.11Å; F49-L60 PolarHBondContact O-N 3.48Å; I51-L60 HydrophobicContact CD1-CB 4.16Å; I51-L60 HydrophobicContact CD1-CD1 4.38Å; I51-L60 HydrophobicContact CG1-CB 3.8Å; I51-L60 HydrophobicContact CG1-CD1 4.38Å; L60-K62 HydrophobicContact CD2-CB 3.89Å; L60-K62 HydrophobicContact CD2-CD 4.49Å; L60-I105 HydrophobicContact CD1-CD1 4.3Å; L60-I105 HydrophobicContact CD2-CD1 4.06Å; L60-F109 HydrophobicContact CD1-CD2 3.63Å; L60-F109 HydrophobicContact CD1-CE2 3.91Å; L60-F109 HydrophobicContact CD1-CG 4.31Å; L60-F109 HydrophobicContact CD2-CB 4.15Å; L60-F109 HydrophobicContact CD2-CD2 4.43Å; L60-F109 HydrophobicContact CG-CB 4.37Å; L60-F109 HydrophobicContact CG-CD2 3.82Å; L60-F109 HydrophobicContact CG-CG 4.39Å; L60-Y110 WeakPolarHBondContact CA-O 3.49Å; L60-L111 HydrophobicContact CB-CD1 3.83Å; L60-L111 HydrophobicContact CD1-CD1 4.35Å; L60-L111 HydrophobicContact CG-CD1 4.39Å |
| 61 | R | 93.4 | Very high | 83.8 | Confident | 14 Ų | 14 | 61.6 Ų | 61.6 | 5% | 0.053 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.2 | 169.1 | -85.7 | 179.6 | 68.1 | 133.3 | -4.2 | 109 | T48 E78 F109 Y110 D234 | T48-R61 HydrophobicContact CG2-CG 3.85Å; T48-R61 WeakPolarHBondContact OG1-CG 3.36Å; R61-E78 IonicContact CZ-OE1 3.65Å; R61-E78 IonicContact CZ-OE2 3.7Å; R61-E78 VanDerWaalsContact CZ-OE2 3.27Å; R61-E78 IonicContact NE-OE2 3.32Å; R61-E78 PolarHBondContact NE-OE2 2.93Å; R61-E78 IonicContact NH2-OE1 2.77Å; R61-E78 PolarHBondContact NH2-OE1 2.88Å; R61-E78 IonicContact NH2-OE2 3.36Å; R61-E78 PolarHBondContact NH2-OE2 2.9Å; R61-E78 VanDerWaalsContact NH2-OE2 3.08Å; R61-F109 CarbonylContact O-C 3.48Å; R61-F109 VanDerWaalsContact O-CA 3.25Å; R61-F109 WeakPolarHBondContact O-CA 3.49Å; R61-F109 WeakPolarHBondContact O-CB 3.31Å; R61-Y110 HydrophobicContact CB-CD1 4.11Å; R61-Y110 HydrophobicContact CB-CE1 3.56Å; R61-Y110 HydrophobicContact CB-CE2 4.3Å; R61-Y110 VanDerWaalsContact CD-OH 3.28Å; R61-Y110 WeakPolarHBondContact CD-OH 3.27Å; R61-Y110 PolarHBondContact N-O 3.47Å; R61-Y110 PolarHBondContact NE-OH 3.45Å; R61-Y110 PolarHBondContact O-N 3.04Å; R61-D234 IonicContact CZ-OD1 2.65Å; R61-D234 IonicContact NH1-OD1 3.84Å; R61-D234 PolarHBondContact NH1-OD1 2.71Å; R61-D234 IonicContact NH2-OD1 3.89Å; R61-D234 PolarHBondContact NH2-OD1 2.95Å |
| 62 | K | 91.2 | Very high | 82.6 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 4% | 0.035 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 157.3 | -178.8 | 82.5 | -175 | -166.2 | 70.1 | 0 | 111.4 | F14 P47 F49 L60 I105 T107 E108 F109 | F14-K62 HydrophobicContact CD1-CD 4.05Å; F14-K62 HydrophobicContact CE1-CD 4.28Å; P47-K62 HydrophobicContact CB-CG 4.39Å; P47-K62 VanDerWaalsContact CD-O 3.31Å; P47-K62 WeakPolarHBondContact CD-O 3.19Å; P47-K62 PolarHBondContact O-N 3.15Å; P47-K62 VanDerWaalsContact O-N 3.12Å; F49-K62 HydrophobicContact CE2-CD 3.67Å; F49-K62 HydrophobicContact CE2-CG 3.87Å; F49-K62 HydrophobicContact CZ-CD 4.2Å; L60-K62 HydrophobicContact CD2-CB 3.89Å; L60-K62 HydrophobicContact CD2-CD 4.49Å; K62-I105 HydrophobicContact CB-CD1 4.15Å; K62-I105 HydrophobicContact CD-CD1 4.1Å; K62-T107 HydrophobicContact CB-CG2 3.85Å; K62-T107 HydrophobicContact CD-CG2 3.95Å; K62-T107 HydrophobicContact CG-CG2 3.95Å; K62-E108 WeakPolarHBondContact CA-O 3.44Å; K62-F109 HydrophobicContact CB-CB 3.71Å |
| 63 | K | 88.9 | Confident | 81.9 | Confident | 66 Ų | 66 | 62.4 Ų | 62.4 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -67 | 137.3 | 172 | -178.3 | 178.5 | -173.6 | 175.9 | 0 | 110.5 | L68 H73 V75 T107 E108 | K63-L68 HydrophobicContact CD-CD1 4.38Å; K63-L68 HydrophobicContact CG-CD1 3.82Å; K63-H73 HydrophobicContact CG-CB 4.2Å; K63-V75 HydrophobicContact CB-CG1 4.4Å; K63-V75 HydrophobicContact CB-CG2 4.24Å; K63-T107 WeakPolarHBondContact CB-OG1 3.49Å; K63-T107 VanDerWaalsContact O-CG2 3.28Å; K63-T107 WeakPolarHBondContact O-CG2 3.11Å; K63-E108 PolarHBondContact N-O 3.4Å; K63-E108 IonicContact NZ-OE2 3.1Å; K63-E108 PolarHBondContact NZ-OE2 3.3Å |
| 64 | P | 84.6 | Confident | 81.7 | Confident | 16 Ų | 16 | 66.5 Ų | 66.5 | 10% | 0.104 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 151.5 | 177.1 | 25.9 | -30.7 | 0 | 0 | 0 | 110.8 | N46 P47 L68 H73 | N46-P64 WeakPolarHBondContact OD1-CD 3.5Å; P47-P64 HydrophobicContact CG-CB 4.27Å; P64-L68 HydrophobicContact CB-CD2 4.4Å; P64-L68 HydrophobicContact CG-CD1 3.95Å; P64-L68 HydrophobicContact CG-CD2 3.83Å; P64-H73 HydrophobicContact CG-CB 4.1Å; P64-H73 WeakPolarHBondContact CG-ND1 3.43Å |
| 65 | P | 77.5 | Confident | 81.9 | Confident | 71 Ų | 71 | 61.3 Ų | 61.3 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -77.3 | 159.8 | 174.6 | 30.8 | -29.4 | 0 | 0 | 0 | 111.6 | Q11 | Q11-P65 VanDerWaalsContact O-CG 3.23Å; Q11-P65 WeakPolarHBondContact O-CG 3.47Å |
| 66 | G | 74.6 | Confident | 82.3 | Confident | 67 Ų | 67 | 60.3 Ų | 60.3 | 69% | 0.691 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 104.5 | -177.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L68 | G66-L68 PolarHBondContact O-N 2.94Š|
| 67 | E | 68.3 | Low | 82.4 | Confident | 208 Ų | 208 | 55.8 Ų | 55.8 | 97% | 0.972 | 32% | 0.321 | S | S | * | . | trans | -73.1 | 118.2 | 172.1 | -72.2 | -169.2 | 161.9 | 0 | 0 | 109.9 | ||||
| 68 | L | 71.2 | Confident | 82.4 | Confident | 56 Ų | 56 | 55.3 Ų | 55.3 | 29% | 0.293 | 32% | 0.317 | S | S | . | . | trans | -109.9 | 151.5 | -175.4 | -56.3 | 178.3 | 0 | 0 | 0 | 111.2 | K63 P64 G66 H73 | K63-L68 HydrophobicContact CD-CD1 4.38Å; K63-L68 HydrophobicContact CG-CD1 3.82Å; P64-L68 HydrophobicContact CB-CD2 4.4Å; P64-L68 HydrophobicContact CG-CD1 3.95Å; P64-L68 HydrophobicContact CG-CD2 3.83Å; G66-L68 PolarHBondContact O-N 2.94Å; L68-H73 HydrophobicContact CD1-CB 4.06Å | ||
| 69 | L | 65.5 | Low | 82.4 | Confident | 137 Ų | 137 | 57.3 Ų | 57.3 | 72% | 0.717 | 33% | 0.325 | S | S | * | . | trans | -59.4 | 135.8 | 174 | -73.6 | 170.8 | 0 | 0 | 0 | 110.8 | G71 A72 | L69-G71 PolarHBondContact O-N 3Å; L69-G71 VanDerWaalsContact O-N 3.1Å; L69-A72 HydrophobicContact CB-CB 4.19Å; L69-A72 WeakPolarHBondContact O-CB 3.46Å; L69-A72 PolarHBondContact O-N 3.43Å | ||
| 70 | P | 65 | Low | 82.5 | Confident | 133 Ų | 133 | 61.7 Ų | 61.7 | 86% | 0.864 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 119 | 178.5 | -27.2 | 34.6 | 0 | 0 | 0 | 112.2 | ||
| 71 | G | 66.3 | Low | 82.6 | Confident | 54 Ų | 54 | 61.7 Ų | 61.7 | 56% | 0.557 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | -3.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | L69 | L69-G71 PolarHBondContact O-N 3Å; L69-G71 VanDerWaalsContact O-N 3.1Å |
| 72 | A | 68.6 | Low | 82.7 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 28% | 0.281 | 34% | 0.338 | S | S | . | . | trans | -80.3 | 162.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L69 K74 | L69-A72 HydrophobicContact CB-CB 4.19Å; L69-A72 WeakPolarHBondContact O-CB 3.46Å; L69-A72 PolarHBondContact O-N 3.43Å; A72-K74 VanDerWaalsContact C-N 3.34Å; A72-K74 PolarHBondContact O-N 2.93Å | ||
| 73 | H | 80 | Confident | 82.9 | Confident | 33 Ų | 33 | 63 Ų | 63 | 15% | 0.153 | 35% | 0.35 | C | S | . | . | trans | 58.3 | 36.4 | 170.7 | -52.1 | -68.3 | 0 | 0 | 0 | 115.8 | S45 N46 K63 P64 L68 V75 E236 | S45-H73 PolarHBondContact O-CE1 2.66Å; S45-H73 PolarHBondContact O-ND1 3.49Å; S45-H73 PolarHBondContact OG-CE1 3.4Å; S45-H73 PolarHBondContact OG-ND1 3.34Å; N46-H73 WeakPolarHBondContact OD1-CA 3.48Å; N46-H73 VanDerWaalsContact OD1-CB 3.22Å; N46-H73 WeakPolarHBondContact OD1-CB 3.42Å; N46-H73 PolarHBondContact OD1-ND1 3.22Å; K63-H73 HydrophobicContact CG-CB 4.2Å; P64-H73 HydrophobicContact CG-CB 4.1Å; P64-H73 WeakPolarHBondContact CG-ND1 3.43Å; L68-H73 HydrophobicContact CD1-CB 4.06Å; H73-V75 PolarHBondContact O-N 3.42Å; H73-E236 IonicContact ND1-OE1 2.68Å | ||
| 74 | K | 85.8 | Confident | 83.3 | Confident | 102 Ų | 102 | 60.5 Ų | 60.5 | 44% | 0.443 | 34% | 0.342 | S | S | . | . | trans | -80.1 | 78.2 | 178.4 | -70.7 | -166 | 175.6 | -165.9 | 0 | 111.9 | A72 D76 R77 E78 | A72-K74 VanDerWaalsContact C-N 3.34Å; A72-K74 PolarHBondContact O-N 2.93Å; K74-D76 WeakPolarHBondContact CA-OD1 3.44Å; K74-D76 WeakPolarHBondContact CB-OD1 3.45Å; K74-D76 PolarHBondContact O-N 2.93Å; K74-R77 HydrophobicContact CB-CB 3.82Å; K74-R77 WeakPolarHBondContact O-CB 3.46Å; K74-R77 PolarHBondContact O-N 2.91Å; K74-R77 VanDerWaalsContact O-N 3.1Å; K74-E78 PolarHBondContact O-N 2.94Å | ||
| 75 | V | 90.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65 | -26.8 | 179.9 | -65.6 | 0 | 0 | 0 | 0 | 113.2 | N46 K63 H73 R77 E78 Y79 F98 E108 Y110 | N46-V75 HydrophobicContact CB-CG1 4.25Å; K63-V75 HydrophobicContact CB-CG1 4.4Å; K63-V75 HydrophobicContact CB-CG2 4.24Å; H73-V75 PolarHBondContact O-N 3.42Å; V75-R77 VanDerWaalsContact C-N 3.31Å; V75-R77 PolarHBondContact O-N 3.45Å; V75-E78 PolarHBondContact O-N 3.34Å; V75-Y79 PolarHBondContact O-N 3.48Å; V75-F98 HydrophobicContact CG2-CE2 4.44Å; V75-E108 HydrophobicContact CG2-CB 3.9Å; V75-Y110 HydrophobicContact CB-CD1 4.04Å; V75-Y110 HydrophobicContact CB-CE1 4.23Å; V75-Y110 WeakPolarHBondContact O-CD1 3.28Å |
| 76 | D | 91.4 | Very high | 84.8 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 170.4 | 67.4 | -53.6 | 0 | 0 | 0 | 111.7 | K74 Y79 R80 F98 | K74-D76 WeakPolarHBondContact CA-OD1 3.44Å; K74-D76 WeakPolarHBondContact CB-OD1 3.45Å; K74-D76 PolarHBondContact O-N 2.93Å; D76-Y79 PolarHBondContact O-N 3.3Å; D76-R80 WeakPolarHBondContact O-CB 3.28Å; D76-R80 PolarHBondContact O-N 3.42Å; D76-F98 HydrophobicContact CB-CE1 4.25Å; D76-F98 HydrophobicContact CB-CE2 3.75Å; D76-F98 HydrophobicContact CB-CZ 3.5Å; D76-F98 VanDerWaalsContact CB-CZ 3.5Å |
| 77 | R | 92.3 | Very high | 85.7 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 26% | 0.264 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.2 | -40.6 | -179.5 | -171 | 174.5 | 176.8 | -139.9 | -6.6 | 111.4 | K74 V75 R80 V81 F161 S238 T239 | K74-R77 HydrophobicContact CB-CB 3.82Å; K74-R77 WeakPolarHBondContact O-CB 3.46Å; K74-R77 PolarHBondContact O-N 2.91Å; K74-R77 VanDerWaalsContact O-N 3.1Å; V75-R77 VanDerWaalsContact C-N 3.31Å; V75-R77 PolarHBondContact O-N 3.45Å; R77-R80 PolarHBondContact O-N 2.89Å; R77-V81 PolarHBondContact O-N 3.45Å; R77-V81 VanDerWaalsContact O-N 3.13Å; R77-F161 HydrophobicContact CG-CD2 3.91Å; R77-F161 HydrophobicContact CG-CE2 3.24Å; R77-F161 HydrophobicContact CG-CZ 3.92Å; R77-F161 PolarHBondContact NE-O 3.43Å; R77-F161 PolarHBondContact NH2-O 3.49Å; R77-S238 PolarHBondContact NH2-O 3.4Å; R77-T239 PolarHBondContact NH2-OG1 3.32Å |
| 78 | E | 92.9 | Very high | 87 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 172.1 | -71.8 | -175.5 | -151.1 | 0 | 0 | 112 | N46 R61 K74 V75 V81 Q82 Y110 E236 | N46-E78 PolarHBondContact ND2-OE1 2.85Å; R61-E78 IonicContact CZ-OE1 3.65Å; R61-E78 IonicContact CZ-OE2 3.7Å; R61-E78 VanDerWaalsContact CZ-OE2 3.27Å; R61-E78 IonicContact NE-OE2 3.32Å; R61-E78 PolarHBondContact NE-OE2 2.93Å; R61-E78 IonicContact NH2-OE1 2.77Å; R61-E78 PolarHBondContact NH2-OE1 2.88Å; R61-E78 IonicContact NH2-OE2 3.36Å; R61-E78 PolarHBondContact NH2-OE2 2.9Å; R61-E78 VanDerWaalsContact NH2-OE2 3.08Å; K74-E78 PolarHBondContact O-N 2.94Å; V75-E78 PolarHBondContact O-N 3.34Å; E78-V81 VanDerWaalsContact O-CG1 3.31Å; E78-V81 WeakPolarHBondContact O-CG1 3.45Å; E78-Q82 WeakPolarHBondContact O-CG 3.48Å; E78-Q82 PolarHBondContact O-N 3.38Å; E78-Q82 VanDerWaalsContact O-N 3.16Å; E78-Q82 PolarHBondContact O-NE2 3.4Å; E78-Q82 VanDerWaalsContact O-NE2 3.1Å; E78-Y110 HydrophobicContact CB-CE1 3.82Å; E78-Y110 WeakPolarHBondContact OE2-CE1 3.48Å; E78-Y110 PolarHBondContact OE2-OH 2.84Å; E78-E236 HydrophobicContact CG-CB 4.4Å; E78-E236 VanDerWaalsContact OE1-CB 3.3Å; E78-E236 WeakPolarHBondContact OE1-CB 3.31Å |
| 79 | Y | 94.9 | Very high | 88.2 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 21% | 0.208 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64 | -44.2 | 177.2 | 178.3 | -98.6 | 0 | 0 | 0 | 111.7 | V75 D76 V81 Q82 T83 P95 F98 Y110 | V75-Y79 PolarHBondContact O-N 3.48Å; D76-Y79 PolarHBondContact O-N 3.3Å; Y79-V81 PolarHBondContact O-N 2.85Å; Y79-Q82 PolarHBondContact O-N 2.79Å; Y79-T83 WeakPolarHBondContact O-CB 3.37Å; Y79-T83 PolarHBondContact O-N 3.47Å; Y79-T83 PolarHBondContact O-OG1 3.05Å; Y79-P95 HydrophobicContact CD2-CB 3.78Å; Y79-P95 HydrophobicContact CE2-CB 3.45Å; Y79-P95 VanDerWaalsContact CE2-CB 3.45Å; Y79-F98 HydrophobicContact CD1-CB 3.49Å; Y79-F98 VanDerWaalsContact CD1-CB 3.49Å; Y79-F98 HydrophobicContact CD1-CG 4.1Å; Y79-F98 HydrophobicContact CD2-CB 3.95Å; Y79-F98 HydrophobicContact CE1-CB 3.56Å; Y79-F98 HydrophobicContact CE2-CB 3.98Å; Y79-F98 HydrophobicContact CG-CB 3.69Å; Y79-F98 HydrophobicContact CG-CD2 4.47Å; Y79-F98 HydrophobicContact CG-CG 4.3Å; Y79-Y110 HydrophobicContact CD2-CD2 4.15Å; Y79-Y110 HydrophobicContact CD2-CG 4.09Å |
| 80 | R | 95.3 | Very high | 89.7 | Confident | 103 Ų | 103 | 47.5 Ų | 47.5 | 39% | 0.389 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 179.7 | -175.2 | 178.7 | 173.8 | -162.3 | -5.1 | 112.2 | D76 R77 T83 A84 K157 L158 E159 | D76-R80 WeakPolarHBondContact O-CB 3.28Å; D76-R80 PolarHBondContact O-N 3.42Å; R77-R80 PolarHBondContact O-N 2.89Å; R80-T83 PolarHBondContact O-N 3.2Å; R80-A84 PolarHBondContact O-N 3.03Å; R80-A84 VanDerWaalsContact O-N 3.13Å; R80-K157 PolarHBondContact NH2-O 3.28Å; R80-L158 HydrophobicContact CG-CD2 4.01Å; R80-E159 PolarHBondContact NH1-O 3.04Å; R80-E159 PolarHBondContact NH2-O 3.31Å; R80-E159 IonicContact NH2-OE2 3.18Å |
| 81 | V | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.2 | -41.9 | -179.7 | 66.8 | 0 | 0 | 0 | 0 | 112.1 | R77 E78 Y79 T83 A84 L85 L158 F161 L210 W235 | R77-V81 PolarHBondContact O-N 3.45Å; R77-V81 VanDerWaalsContact O-N 3.13Å; E78-V81 VanDerWaalsContact O-CG1 3.31Å; E78-V81 WeakPolarHBondContact O-CG1 3.45Å; Y79-V81 PolarHBondContact O-N 2.85Å; V81-T83 VanDerWaalsContact C-N 3.3Å; V81-T83 PolarHBondContact O-N 3.3Å; V81-A84 PolarHBondContact O-N 3.27Å; V81-L85 HydrophobicContact CG2-CD1 3.99Å; V81-L85 HydrophobicContact CG2-CG 4.37Å; V81-L85 WeakPolarHBondContact O-CB 3.35Å; V81-L85 VanDerWaalsContact O-CG 3.27Å; V81-L85 WeakPolarHBondContact O-CG 3.37Å; V81-L85 PolarHBondContact O-N 3.13Å; V81-L158 HydrophobicContact CG2-CD1 4.1Å; V81-F161 HydrophobicContact CB-CE1 4.46Å; V81-F161 HydrophobicContact CB-CE2 3.8Å; V81-F161 HydrophobicContact CB-CZ 3.65Å; V81-F161 HydrophobicContact CG1-CE2 4.39Å; V81-F161 HydrophobicContact CG1-CZ 4.06Å; V81-F161 HydrophobicContact CG2-CE1 4.31Å; V81-F161 HydrophobicContact CG2-CE2 4.47Å; V81-F161 HydrophobicContact CG2-CZ 3.96Å; V81-L210 HydrophobicContact CG2-CD1 4Å; V81-L210 HydrophobicContact CG2-CD2 3.87Å; V81-W235 HydrophobicContact CG1-CB 3.76Å; V81-W235 HydrophobicContact CG1-CD2 4.38Å; V81-W235 HydrophobicContact CG1-CE3 4.28Å; V81-W235 HydrophobicContact CG1-CG 4.17Å; V81-W235 HydrophobicContact CG2-CE3 4.12Å |
| 82 | Q | 96.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.4 | -37.1 | 176.5 | -72.2 | 176 | 91.2 | 0 | 0 | 111.6 | E78 Y79 A84 L85 F86 V92 P95 Y110 W235 | E78-Q82 WeakPolarHBondContact O-CG 3.48Å; E78-Q82 PolarHBondContact O-N 3.38Å; E78-Q82 VanDerWaalsContact O-N 3.16Å; E78-Q82 PolarHBondContact O-NE2 3.4Å; E78-Q82 VanDerWaalsContact O-NE2 3.1Å; Y79-Q82 PolarHBondContact O-N 2.79Å; Q82-A84 VanDerWaalsContact C-N 3.35Å; Q82-A84 PolarHBondContact O-N 3.19Å; Q82-L85 PolarHBondContact O-N 3.29Å; Q82-F86 VanDerWaalsContact O-CB 3.31Å; Q82-F86 WeakPolarHBondContact O-CB 3.28Å; Q82-F86 PolarHBondContact O-N 3.42Å; Q82-V92 HydrophobicContact CB-CG2 4.45Å; Q82-V92 WeakPolarHBondContact O-CG2 3.25Å; Q82-P95 HydrophobicContact CB-CG 3.64Å; Q82-Y110 PolarHBondContact NE2-OH 2.96Å; Q82-W235 HydrophobicContact CG-CB 4.39Å; Q82-W235 VanDerWaalsContact CG-CD1 3.45Å; Q82-W235 HydrophobicContact CG-CG 3.9Å |
| 83 | T | 96.3 | Very high | 93.8 | Very high | 47 Ų | 47 | 38.5 Ų | 38.5 | 29% | 0.288 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 177.4 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | Y79 R80 V81 S87 | Y79-T83 WeakPolarHBondContact O-CB 3.37Å; Y79-T83 PolarHBondContact O-N 3.47Å; Y79-T83 PolarHBondContact O-OG1 3.05Å; R80-T83 PolarHBondContact O-N 3.2Å; V81-T83 VanDerWaalsContact C-N 3.3Å; V81-T83 PolarHBondContact O-N 3.3Å; T83-S87 WeakPolarHBondContact O-CB 3.15Å; T83-S87 PolarHBondContact O-N 3.41Å; T83-S87 VanDerWaalsContact O-N 3.09Å; T83-S87 PolarHBondContact O-OG 3.45Å |
| 84 | A | 96.6 | Very high | 94.5 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 12% | 0.116 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R80 V81 Q82 S87 A88 L156 L158 | R80-A84 PolarHBondContact O-N 3.03Å; R80-A84 VanDerWaalsContact O-N 3.13Å; V81-A84 PolarHBondContact O-N 3.27Å; Q82-A84 VanDerWaalsContact C-N 3.35Å; Q82-A84 PolarHBondContact O-N 3.19Å; A84-S87 PolarHBondContact O-N 2.92Å; A84-A88 WeakPolarHBondContact O-CB 3.43Å; A84-A88 PolarHBondContact O-N 3.49Å; A84-L156 HydrophobicContact CB-CB 4.39Å; A84-L156 WeakPolarHBondContact CB-O 2.94Å; A84-L158 HydrophobicContact CB-CD1 4.21Å; A84-L158 HydrophobicContact CB-CD2 3.96Å; A84-L158 HydrophobicContact CB-CG 4.03Å |
| 85 | L | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.2 | -45.5 | 179.2 | -73.7 | 171.8 | 0 | 0 | 0 | 112.7 | V81 Q82 S87 A88 G89 F90 V92 L148 L151 L210 W235 | V81-L85 HydrophobicContact CG2-CD1 3.99Å; V81-L85 HydrophobicContact CG2-CG 4.37Å; V81-L85 WeakPolarHBondContact O-CB 3.35Å; V81-L85 VanDerWaalsContact O-CG 3.27Å; V81-L85 WeakPolarHBondContact O-CG 3.37Å; V81-L85 PolarHBondContact O-N 3.13Å; Q82-L85 PolarHBondContact O-N 3.29Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 2.76Å; L85-A88 CarbonylContact O-C 3.59Å; L85-A88 PolarHBondContact O-N 2.85Å; L85-A88 VanDerWaalsContact O-N 3.14Å; L85-G89 PolarHBondContact O-N 3.02Å; L85-F90 HydrophobicContact CB-CB 4.14Å; L85-F90 HydrophobicContact CB-CD1 4.22Å; L85-F90 HydrophobicContact CD1-CD1 4.25Å; L85-F90 HydrophobicContact CD2-CB 3.92Å; L85-F90 HydrophobicContact CD2-CD1 3.87Å; L85-F90 HydrophobicContact CD2-CG 3.92Å; L85-F90 HydrophobicContact CG-CD1 4.36Å; L85-F90 WeakPolarHBondContact O-CB 3.15Å; L85-F90 PolarHBondContact O-N 3.11Å; L85-V92 HydrophobicContact CB-CG1 4.04Å; L85-V92 HydrophobicContact CB-CG2 3.95Å; L85-V92 HydrophobicContact CD1-CG1 3.9Å; L85-L148 HydrophobicContact CD2-CD1 3.86Å; L85-L151 HydrophobicContact CD2-CD1 3.35Å; L85-L210 HydrophobicContact CD1-CD2 4.29Å; L85-L210 HydrophobicContact CD2-CD2 3.73Å; L85-L210 HydrophobicContact CG-CD2 4.17Å; L85-W235 HydrophobicContact CD1-CD2 3.97Å; L85-W235 HydrophobicContact CD1-CE3 3.84Å; L85-W235 HydrophobicContact CD1-CH2 3.23Å; L85-W235 HydrophobicContact CD1-CZ2 3.32Å; L85-W235 HydrophobicContact CD1-CZ3 3.5Å |
| 86 | F | 96.1 | Very high | 95.2 | Very high | 86 Ų | 86 | 38.5 Ų | 38.5 | 38% | 0.377 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.5 | -45.3 | 176.2 | -174 | -96 | 0 | 0 | 0 | 110.8 | Q82 A88 G89 V92 Q94 | Q82-F86 VanDerWaalsContact O-CB 3.31Å; Q82-F86 WeakPolarHBondContact O-CB 3.28Å; Q82-F86 PolarHBondContact O-N 3.42Å; F86-A88 PolarHBondContact O-N 3.08Å; F86-G89 PolarHBondContact O-N 3.47Å; F86-V92 HydrophobicContact CB-CG2 3.78Å; F86-V92 HydrophobicContact CD2-CG2 4.43Å; F86-Q94 HydrophobicContact CD1-CG 4.33Å; F86-Q94 HydrophobicContact CD2-CB 4.06Å; F86-Q94 HydrophobicContact CD2-CG 4.33Å; F86-Q94 HydrophobicContact CE1-CB 4.49Å; F86-Q94 HydrophobicContact CE1-CG 3.83Å; F86-Q94 HydrophobicContact CE2-CB 3.55Å; F86-Q94 HydrophobicContact CE2-CG 3.83Å; F86-Q94 HydrophobicContact CZ-CB 3.8Å; F86-Q94 HydrophobicContact CZ-CG 3.56Å |
| 87 | S | 95.1 | Very high | 95.4 | Very high | 97 Ų | 97 | 36.1 Ų | 36.1 | 68% | 0.678 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -62.8 | -31.2 | 177.3 | -57.1 | 0 | 0 | 0 | 0 | 112.8 | T83 A84 L85 G89 | T83-S87 WeakPolarHBondContact O-CB 3.15Å; T83-S87 PolarHBondContact O-N 3.41Å; T83-S87 VanDerWaalsContact O-N 3.09Å; T83-S87 PolarHBondContact O-OG 3.45Å; A84-S87 PolarHBondContact O-N 2.92Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 2.76Å; S87-G89 VanDerWaalsContact C-N 3.27Å; S87-G89 PolarHBondContact O-N 3.05Å |
| 88 | A | 95.2 | Very high | 95.6 | Very high | 45 Ų | 45 | 35.5 Ų | 35.5 | 37% | 0.372 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A84 L85 F86 F90 L156 | A84-A88 WeakPolarHBondContact O-CB 3.43Å; A84-A88 PolarHBondContact O-N 3.49Å; L85-A88 CarbonylContact O-C 3.59Å; L85-A88 PolarHBondContact O-N 2.85Å; L85-A88 VanDerWaalsContact O-N 3.14Å; F86-A88 PolarHBondContact O-N 3.08Å; A88-F90 VanDerWaalsContact C-N 3.27Å; A88-F90 PolarHBondContact O-N 3.28Å; A88-L156 HydrophobicContact CB-CD2 3.58Å |
| 89 | G | 94.8 | Very high | 95.7 | Very high | 51 Ų | 51 | 35.4 Ų | 35.4 | 53% | 0.526 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 23.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L85 F86 S87 K147 | L85-G89 PolarHBondContact O-N 3.02Å; F86-G89 PolarHBondContact O-N 3.47Å; S87-G89 VanDerWaalsContact C-N 3.27Å; S87-G89 PolarHBondContact O-N 3.05Å; G89-K147 PolarHBondContact O-NZ 3Å |
| 90 | F | 97 | Very high | 95.6 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | trans | -85.3 | 136.4 | 169.3 | -173.3 | -90.1 | 0 | 0 | 0 | 109.6 | L85 A88 V92 N144 K147 L148 L151 W235 | L85-F90 HydrophobicContact CB-CB 4.14Å; L85-F90 HydrophobicContact CB-CD1 4.22Å; L85-F90 HydrophobicContact CD1-CD1 4.25Å; L85-F90 HydrophobicContact CD2-CB 3.92Å; L85-F90 HydrophobicContact CD2-CD1 3.87Å; L85-F90 HydrophobicContact CD2-CG 3.92Å; L85-F90 HydrophobicContact CG-CD1 4.36Å; L85-F90 WeakPolarHBondContact O-CB 3.15Å; L85-F90 PolarHBondContact O-N 3.11Å; A88-F90 VanDerWaalsContact C-N 3.27Å; A88-F90 PolarHBondContact O-N 3.28Å; F90-V92 HydrophobicContact CD1-CG1 4Å; F90-V92 HydrophobicContact CE1-CG1 4.32Å; F90-V92 PolarHBondContact O-N 3.26Å; F90-N144 WeakPolarHBondContact CE2-O 3.48Å; F90-K147 HydrophobicContact CD2-CD 4.19Å; F90-K147 HydrophobicContact CD2-CG 4.09Å; F90-K147 HydrophobicContact CE2-CB 4.2Å; F90-K147 HydrophobicContact CE2-CD 4.46Å; F90-K147 HydrophobicContact CE2-CG 4.26Å; F90-L148 HydrophobicContact CD2-CB 4.43Å; F90-L148 HydrophobicContact CE1-CD1 4.34Å; F90-L148 HydrophobicContact CE2-CB 3.6Å; F90-L148 HydrophobicContact CE2-CD1 4.33Å; F90-L148 HydrophobicContact CZ-CB 3.73Å; F90-L148 HydrophobicContact CZ-CD1 4.19Å; F90-L148 HydrophobicContact CZ-CG 4.41Å; F90-L151 HydrophobicContact CB-CD1 4.16Å; F90-L151 HydrophobicContact CD2-CD1 4.15Å; F90-L151 HydrophobicContact CG-CD1 4.22Å; F90-W235 HydrophobicContact CD1-CZ2 4.46Å; F90-W235 HydrophobicContact CE1-CH2 4.13Å; F90-W235 AromaticContact CE1-CZ2 3.92Å; F90-W235 HydrophobicContact CE1-CZ2 3.92Å | ||
| 91 | P | 96.2 | Very high | 95.5 | Very high | 23 Ų | 23 | 36.8 Ų | 36.8 | 15% | 0.149 | 22% | 0.217 | C | C | . | . | trans | -69.5 | 102.5 | -174.9 | 27.9 | -34.7 | 0 | 0 | 0 | 111.7 | N144 V229 M230 A231 S232 | P91-N144 WeakPolarHBondContact CG-OD1 3.27Å; P91-V229 HydrophobicContact CG-CG1 4.49Å; P91-M230 WeakPolarHBondContact CB-O 3.18Å; P91-A231 CarbonylContact O-C 3.34Å; P91-A231 WeakPolarHBondContact O-CA 3.29Å; P91-S232 PolarHBondContact O-N 2.98Å | ||
| 92 | V | 96.4 | Very high | 95.2 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | trans | -135.4 | 158 | 167.1 | -69.4 | 0 | 0 | 0 | 0 | 108.4 | Q82 L85 F86 F90 Q94 W235 | Q82-V92 HydrophobicContact CB-CG2 4.45Å; Q82-V92 WeakPolarHBondContact O-CG2 3.25Å; L85-V92 HydrophobicContact CB-CG1 4.04Å; L85-V92 HydrophobicContact CB-CG2 3.95Å; L85-V92 HydrophobicContact CD1-CG1 3.9Å; F86-V92 HydrophobicContact CB-CG2 3.78Å; F86-V92 HydrophobicContact CD2-CG2 4.43Å; F90-V92 HydrophobicContact CD1-CG1 4Å; F90-V92 HydrophobicContact CE1-CG1 4.32Å; F90-V92 PolarHBondContact O-N 3.26Å; V92-Q94 PolarHBondContact O-N 3.24Å; V92-W235 HydrophobicContact CG1-CZ2 3.74Å | ||
| 93 | P | 94.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 138.1 | 171.7 | -18.3 | 33.2 | 0 | 0 | 0 | 109.2 | P95 M112 A231 L233 | P93-P95 WeakPolarHBondContact O-CD 3.39Å; P93-P95 VanDerWaalsContact O-N 3.13Å; P93-M112 HydrophobicContact CB-CB 4.14Å; P93-M112 HydrophobicContact CB-CG 4.08Å; P93-M112 HydrophobicContact CB-SD 3.78Å; P93-M112 HydrophobicContact CG-SD 3.92Å; P93-A231 HydrophobicContact CG-CB 3.98Å; P93-L233 HydrophobicContact CG-CD2 3.48Å; P93-L233 VanDerWaalsContact CG-CD2 3.48Å |
| 94 | Q | 95.1 | Very high | 94.8 | Very high | 73 Ų | 73 | 45.8 Ų | 45.8 | 34% | 0.341 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 119.5 | -179.8 | -177.7 | 177.1 | 0.7 | 0 | 0 | 109.8 | F86 V92 L96 M112 E113 | F86-Q94 HydrophobicContact CD1-CG 4.33Å; F86-Q94 HydrophobicContact CD2-CB 4.06Å; F86-Q94 HydrophobicContact CD2-CG 4.33Å; F86-Q94 HydrophobicContact CE1-CB 4.49Å; F86-Q94 HydrophobicContact CE1-CG 3.83Å; F86-Q94 HydrophobicContact CE2-CB 3.55Å; F86-Q94 HydrophobicContact CE2-CG 3.83Å; F86-Q94 HydrophobicContact CZ-CB 3.8Å; F86-Q94 HydrophobicContact CZ-CG 3.56Å; V92-Q94 PolarHBondContact O-N 3.24Å; Q94-L96 HydrophobicContact CG-CD2 4.05Å; Q94-L96 PolarHBondContact O-N 3.34Å; Q94-M112 CarbonylContact O-C 3.6Å; Q94-M112 WeakPolarHBondContact O-CA 3.43Å; Q94-M112 WeakPolarHBondContact O-CB 3.49Å; Q94-E113 HydrophobicContact CB-CB 4.04Å; Q94-E113 PolarHBondContact O-N 3.38Å |
| 95 | P | 95.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 10% | 0.104 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 127.5 | 171.6 | -17 | 34.5 | 0 | 0 | 0 | 108.9 | Y79 Q82 P93 | Y79-P95 HydrophobicContact CD2-CB 3.78Å; Y79-P95 HydrophobicContact CE2-CB 3.45Å; Y79-P95 VanDerWaalsContact CE2-CB 3.45Å; Q82-P95 HydrophobicContact CB-CG 3.64Å; P93-P95 WeakPolarHBondContact O-CD 3.39Å; P93-P95 VanDerWaalsContact O-N 3.13Å |
| 96 | L | 95.5 | Very high | 94.2 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 25% | 0.246 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -39.7 | -174 | -62.1 | 173.8 | 0 | 0 | 0 | 112 | L28 Y58 Q94 L111 | L28-L96 HydrophobicContact CD2-CB 4.43Å; Y58-L96 HydrophobicContact CD1-CD1 3.41Å; Y58-L96 VanDerWaalsContact CD1-CD1 3.41Å; Y58-L96 HydrophobicContact CE1-CD1 3.59Å; Q94-L96 HydrophobicContact CG-CD2 4.05Å; Q94-L96 PolarHBondContact O-N 3.34Å; L96-L111 HydrophobicContact CD1-CD2 4.33Å; L96-L111 PolarHBondContact N-O 3.1Å |
| 97 | L | 95.4 | Very high | 94 | Very high | 18 Ų | 18 | 45.4 Ų | 45.4 | 9% | 0.094 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 139.8 | -171.6 | -176.5 | 67.4 | 0 | 0 | 0 | 111 | Y22 L23 K26 L28 Y110 L111 | Y22-L97 HydrophobicContact CD1-CD2 4Å; Y22-L97 HydrophobicContact CE1-CD1 4.44Å; Y22-L97 HydrophobicContact CE1-CD2 3.56Å; Y22-L97 HydrophobicContact CE1-CG 4.26Å; L23-L97 HydrophobicContact CD2-CD2 3.64Å; K26-L97 HydrophobicContact CB-CD1 4.4Å; K26-L97 HydrophobicContact CB-CD2 4.45Å; K26-L97 HydrophobicContact CD-CD1 4.11Å; K26-L97 HydrophobicContact CG-CD1 3.9Å; K26-L97 HydrophobicContact CG-CD2 4.15Å; L28-L97 HydrophobicContact CD1-CB 4.01Å; L28-L97 HydrophobicContact CD1-CD2 3.94Å; L97-Y110 CarbonylContact O-C 3.58Å; L97-Y110 WeakPolarHBondContact O-CA 3.35Å; L97-Y110 VanDerWaalsContact O-CB 3.28Å; L97-Y110 WeakPolarHBondContact O-CB 3.46Å; L97-L111 HydrophobicContact CB-CB 4.13Å; L97-L111 PolarHBondContact N-O 3.15Å; L97-L111 PolarHBondContact O-N 3.16Å |
| 98 | F | 96.3 | Very high | 93.9 | Very high | 57 Ų | 57 | 43.3 Ų | 43.3 | 25% | 0.25 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.9 | 163.7 | 171.8 | -108.4 | 0 | 0 | 0 | 109.5 | V75 D76 Y79 N100 F109 | V75-F98 HydrophobicContact CG2-CE2 4.44Å; D76-F98 HydrophobicContact CB-CE1 4.25Å; D76-F98 HydrophobicContact CB-CE2 3.75Å; D76-F98 HydrophobicContact CB-CZ 3.5Å; D76-F98 VanDerWaalsContact CB-CZ 3.5Å; Y79-F98 HydrophobicContact CD1-CB 3.49Å; Y79-F98 VanDerWaalsContact CD1-CB 3.49Å; Y79-F98 HydrophobicContact CD1-CG 4.1Å; Y79-F98 HydrophobicContact CD2-CB 3.95Å; Y79-F98 HydrophobicContact CE1-CB 3.56Å; Y79-F98 HydrophobicContact CE2-CB 3.98Å; Y79-F98 HydrophobicContact CG-CB 3.69Å; Y79-F98 HydrophobicContact CG-CD2 4.47Å; Y79-F98 HydrophobicContact CG-CG 4.3Å; F98-N100 HydrophobicContact CE1-CB 3.87Å; F98-N100 HydrophobicContact CZ-CB 3.98Å; F98-F109 WeakPolarHBondContact CD2-O 3.48Å |
| 99 | C | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 120.3 | 178.6 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | Y22 E101 E108 F109 | Y22-C99 HydrophobicContact CE1-CB 3.76Å; Y22-C99 VanDerWaalsContact CZ-SG 3.59Å; C99-E101 PolarHBondContact SG-N 3.41Å; C99-E108 WeakPolarHBondContact O-CA 3.32Å; C99-F109 HydrophobicContact CB-CD1 3.79Å; C99-F109 HydrophobicContact CB-CE1 3.37Å; C99-F109 HydrophobicContact CB-CE2 4.14Å; C99-F109 HydrophobicContact CB-CG 4.36Å; C99-F109 HydrophobicContact CB-CZ 3.57Å; C99-F109 PolarHBondContact N-O 3.07Å; C99-F109 PolarHBondContact O-N 3.26Å; C99-F109 VanDerWaalsContact SG-CE1 3.56Å |
| 100 | N | 93.1 | Very high | 94 | Very high | 101 Ų | 101 | 38.8 Ų | 38.8 | 54% | 0.54 | 22% | 0.218 | S | C | . | . | trans | -99.4 | -0.1 | 173.2 | 63.6 | -16.3 | 0 | 0 | 0 | 112.9 | F98 A102 | F98-N100 HydrophobicContact CE1-CB 3.87Å; F98-N100 HydrophobicContact CZ-CB 3.98Å; N100-A102 PolarHBondContact O-N 3.49Å | ||
| 101 | E | 92.3 | Very high | 93.9 | Very high | 85 Ų | 85 | 38.7 Ų | 38.7 | 40% | 0.397 | 22% | 0.218 | S | C | . | . | trans | -81.4 | 98.3 | -179.7 | -64.5 | 165.4 | -139.6 | 0 | 0 | 109.6 | C99 E103 V104 | C99-E101 PolarHBondContact SG-N 3.41Å; E101-E103 PolarHBondContact O-N 3.13Å; E101-V104 HydrophobicContact CB-CG2 3.93Å; E101-V104 PolarHBondContact O-N 2.94Å; E101-V104 VanDerWaalsContact O-N 3.11Å | ||
| 102 | A | 88.5 | Confident | 93.8 | Very high | 55 Ų | 55 | 38.2 Ų | 38.2 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59 | -20.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | N100 V104 G106 | N100-A102 PolarHBondContact O-N 3.49Å; A102-V104 PolarHBondContact O-N 3.35Å; A102-G106 CarbonylContact O-C 3.58Å; A102-G106 WeakPolarHBondContact O-CA 3.48Å; A102-G106 PolarHBondContact O-N 3.06Å |
| 103 | E | 91 | Very high | 93.7 | Very high | 169 Ų | 169 | 41.8 Ų | 41.8 | 79% | 0.79 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -64.9 | -22.5 | 177.7 | -67.5 | 145.3 | -163.5 | 0 | 0 | 113.5 | E101 | E101-E103 PolarHBondContact O-N 3.13Å |
| 104 | V | 92.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 43 Ų | 43 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.8 | -57.1 | -176.4 | -175 | 0 | 0 | 0 | 0 | 111.1 | N18 Y22 E101 A102 F109 | N18-V104 WeakPolarHBondContact CB-O 3.36Å; Y22-V104 HydrophobicContact CD1-CG1 4.13Å; Y22-V104 HydrophobicContact CD2-CG1 4.25Å; Y22-V104 HydrophobicContact CD2-CG2 3.75Å; Y22-V104 HydrophobicContact CE2-CG2 4.01Å; Y22-V104 HydrophobicContact CG-CG1 3.77Å; Y22-V104 HydrophobicContact CG-CG2 4.11Å; E101-V104 HydrophobicContact CB-CG2 3.93Å; E101-V104 PolarHBondContact O-N 2.94Å; E101-V104 VanDerWaalsContact O-N 3.11Å; A102-V104 PolarHBondContact O-N 3.35Å; V104-F109 HydrophobicContact CB-CE1 4.17Å; V104-F109 HydrophobicContact CG1-CE1 4.04Å; V104-F109 HydrophobicContact CG1-CZ 4.19Å |
| 105 | I | 92.4 | Very high | 93 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.051 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -129 | 14.4 | -178.9 | 69.9 | 169 | 0 | 0 | 0 | 114.4 | F14 L19 L60 K62 T107 F109 | F14-I105 HydrophobicContact CB-CB 3.89Å; F14-I105 WeakPolarHBondContact CB-O 3.46Å; F14-I105 HydrophobicContact CD2-CB 4.01Å; F14-I105 HydrophobicContact CD2-CG2 3.85Å; F14-I105 HydrophobicContact CE2-CG2 4.41Å; F14-I105 HydrophobicContact CG-CB 4.03Å; F14-I105 HydrophobicContact CG-CG2 4.39Å; L19-I105 HydrophobicContact CB-CG2 3.83Å; L19-I105 HydrophobicContact CD1-CG2 4.03Å; L19-I105 HydrophobicContact CG-CG2 4.36Å; L60-I105 HydrophobicContact CD1-CD1 4.3Å; L60-I105 HydrophobicContact CD2-CD1 4.06Å; K62-I105 HydrophobicContact CB-CD1 4.15Å; K62-I105 HydrophobicContact CD-CD1 4.1Å; I105-T107 HydrophobicContact CG1-CG2 4.47Å; I105-T107 WeakPolarHBondContact CG1-O 3.43Å; I105-F109 HydrophobicContact CD1-CB 3.73Å; I105-F109 HydrophobicContact CD1-CD1 3.27Å; I105-F109 HydrophobicContact CD1-CD2 4.27Å; I105-F109 HydrophobicContact CD1-CE1 3.85Å; I105-F109 HydrophobicContact CD1-CG 3.5Å; I105-F109 VanDerWaalsContact CD1-CG 3.5Å; I105-F109 HydrophobicContact CG1-CD1 3.43Å; I105-F109 VanDerWaalsContact CG1-CD1 3.43Å; I105-F109 HydrophobicContact CG1-CE1 3.75Å; I105-F109 HydrophobicContact CG1-CG 4.19Å; I105-F109 HydrophobicContact CG2-CE1 4.2Å |
| 106 | G | 89.8 | Confident | 91.8 | Very high | 64 Ų | 64 | 45.9 Ų | 45.9 | 66% | 0.66 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 87.8 | -4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A102 | A102-G106 CarbonylContact O-C 3.58Å; A102-G106 WeakPolarHBondContact O-CA 3.48Å; A102-G106 PolarHBondContact O-N 3.06Å |
| 107 | T | 91.6 | Very high | 91.1 | Very high | 18 Ų | 18 | 50.8 Ų | 50.8 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -167.1 | 167.3 | -176.6 | -160.6 | 0 | 0 | 0 | 0 | 111.6 | K62 K63 I105 | K62-T107 HydrophobicContact CB-CG2 3.85Å; K62-T107 HydrophobicContact CD-CG2 3.95Å; K62-T107 HydrophobicContact CG-CG2 3.95Å; K63-T107 WeakPolarHBondContact CB-OG1 3.49Å; K63-T107 VanDerWaalsContact O-CG2 3.28Å; K63-T107 WeakPolarHBondContact O-CG2 3.11Å; I105-T107 HydrophobicContact CG1-CG2 4.47Å; I105-T107 WeakPolarHBondContact CG1-O 3.43Å |
| 108 | E | 93.4 | Very high | 90.7 | Very high | 54 Ų | 54 | 50.4 Ų | 50.4 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | trans | -67.3 | 141.9 | 175.6 | -53.4 | 174.5 | 136.5 | 0 | 0 | 110.8 | K62 K63 V75 C99 | K62-E108 WeakPolarHBondContact CA-O 3.44Å; K63-E108 PolarHBondContact N-O 3.4Å; K63-E108 IonicContact NZ-OE2 3.1Å; K63-E108 PolarHBondContact NZ-OE2 3.3Å; V75-E108 HydrophobicContact CG2-CB 3.9Å; C99-E108 WeakPolarHBondContact O-CA 3.32Å | ||
| 109 | F | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 163.2 | 178.3 | 70.6 | -82.9 | 0 | 0 | 0 | 112.7 | L19 Y22 L60 R61 K62 F98 C99 V104 I105 | L19-F109 HydrophobicContact CD1-CE2 3.79Å; L19-F109 HydrophobicContact CD1-CZ 3.67Å; Y22-F109 HydrophobicContact CD1-CZ 4.1Å; Y22-F109 HydrophobicContact CE1-CZ 4.16Å; L60-F109 HydrophobicContact CD1-CD2 3.63Å; L60-F109 HydrophobicContact CD1-CE2 3.91Å; L60-F109 HydrophobicContact CD1-CG 4.31Å; L60-F109 HydrophobicContact CD2-CB 4.15Å; L60-F109 HydrophobicContact CD2-CD2 4.43Å; L60-F109 HydrophobicContact CG-CB 4.37Å; L60-F109 HydrophobicContact CG-CD2 3.82Å; L60-F109 HydrophobicContact CG-CG 4.39Å; R61-F109 CarbonylContact O-C 3.48Å; R61-F109 VanDerWaalsContact O-CA 3.25Å; R61-F109 WeakPolarHBondContact O-CA 3.49Å; R61-F109 WeakPolarHBondContact O-CB 3.31Å; K62-F109 HydrophobicContact CB-CB 3.71Å; F98-F109 WeakPolarHBondContact CD2-O 3.48Å; C99-F109 HydrophobicContact CB-CD1 3.79Å; C99-F109 HydrophobicContact CB-CE1 3.37Å; C99-F109 HydrophobicContact CB-CE2 4.14Å; C99-F109 HydrophobicContact CB-CG 4.36Å; C99-F109 HydrophobicContact CB-CZ 3.57Å; C99-F109 PolarHBondContact N-O 3.07Å; C99-F109 PolarHBondContact O-N 3.26Å; C99-F109 VanDerWaalsContact SG-CE1 3.56Å; V104-F109 HydrophobicContact CB-CE1 4.17Å; V104-F109 HydrophobicContact CG1-CE1 4.04Å; V104-F109 HydrophobicContact CG1-CZ 4.19Å; I105-F109 HydrophobicContact CD1-CB 3.73Å; I105-F109 HydrophobicContact CD1-CD1 3.27Å; I105-F109 HydrophobicContact CD1-CD2 4.27Å; I105-F109 HydrophobicContact CD1-CE1 3.85Å; I105-F109 HydrophobicContact CD1-CG 3.5Å; I105-F109 VanDerWaalsContact CD1-CG 3.5Å; I105-F109 HydrophobicContact CG1-CD1 3.43Å; I105-F109 VanDerWaalsContact CG1-CD1 3.43Å; I105-F109 HydrophobicContact CG1-CE1 3.75Å; I105-F109 HydrophobicContact CG1-CG 4.19Å; I105-F109 HydrophobicContact CG2-CE1 4.2Å |
| 110 | Y | 95.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 157.1 | 164.6 | 71.1 | -88.3 | 0 | 0 | 0 | 111.7 | L60 R61 V75 E78 Y79 Q82 L97 M112 | L60-Y110 WeakPolarHBondContact CA-O 3.49Å; R61-Y110 HydrophobicContact CB-CD1 4.11Å; R61-Y110 HydrophobicContact CB-CE1 3.56Å; R61-Y110 HydrophobicContact CB-CE2 4.3Å; R61-Y110 VanDerWaalsContact CD-OH 3.28Å; R61-Y110 WeakPolarHBondContact CD-OH 3.27Å; R61-Y110 PolarHBondContact N-O 3.47Å; R61-Y110 PolarHBondContact NE-OH 3.45Å; R61-Y110 PolarHBondContact O-N 3.04Å; V75-Y110 HydrophobicContact CB-CD1 4.04Å; V75-Y110 HydrophobicContact CB-CE1 4.23Å; V75-Y110 WeakPolarHBondContact O-CD1 3.28Å; E78-Y110 HydrophobicContact CB-CE1 3.82Å; E78-Y110 WeakPolarHBondContact OE2-CE1 3.48Å; E78-Y110 PolarHBondContact OE2-OH 2.84Å; Y79-Y110 HydrophobicContact CD2-CD2 4.15Å; Y79-Y110 HydrophobicContact CD2-CG 4.09Å; Q82-Y110 PolarHBondContact NE2-OH 2.96Å; L97-Y110 CarbonylContact O-C 3.58Å; L97-Y110 WeakPolarHBondContact O-CA 3.35Å; L97-Y110 VanDerWaalsContact O-CB 3.28Å; L97-Y110 WeakPolarHBondContact O-CB 3.46Å; Y110-M112 HydrophobicContact CE2-CG 4.47Å; Y110-M112 HydrophobicContact CE2-SD 3.94Å |
| 111 | L | 95.5 | Very high | 90 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 139.1 | 177.5 | -159.1 | 77 | 0 | 0 | 0 | 109.5 | L23 L28 I51 Y58 V59 L60 L96 L97 | L23-L111 HydrophobicContact CD2-CD2 3.92Å; L28-L111 HydrophobicContact CD1-CD2 4.07Å; I51-L111 HydrophobicContact CG1-CD1 4.36Å; Y58-L111 HydrophobicContact CD1-CD2 3.97Å; Y58-L111 HydrophobicContact CD1-CG 4.48Å; Y58-L111 HydrophobicContact CD2-CD2 4.45Å; Y58-L111 HydrophobicContact CG-CD2 3.87Å; Y58-L111 HydrophobicContact CG-CG 4.32Å; V59-L111 WeakPolarHBondContact O-CA 3.45Å; L60-L111 HydrophobicContact CB-CD1 3.83Å; L60-L111 HydrophobicContact CD1-CD1 4.35Å; L60-L111 HydrophobicContact CG-CD1 4.39Å; L96-L111 HydrophobicContact CD1-CD2 4.33Å; L96-L111 PolarHBondContact N-O 3.1Å; L97-L111 HydrophobicContact CB-CB 4.13Å; L97-L111 PolarHBondContact N-O 3.15Å; L97-L111 PolarHBondContact O-N 3.16Å |
| 112 | M | 95.3 | Very high | 89.5 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 6% | 0.064 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 163 | 174.2 | 64.1 | -172.9 | 174.5 | 0 | 0 | 111.4 | V59 P93 Q94 Y110 | V59-M112 HydrophobicContact CB-CE 3.72Å; V59-M112 HydrophobicContact CB-CG 3.86Å; V59-M112 HydrophobicContact CG1-CE 3.43Å; V59-M112 VanDerWaalsContact CG1-CE 3.43Å; V59-M112 HydrophobicContact CG2-CE 4.44Å; V59-M112 PolarHBondContact N-O 3.28Å; V59-M112 PolarHBondContact O-N 3.45Å; P93-M112 HydrophobicContact CB-CB 4.14Å; P93-M112 HydrophobicContact CB-CG 4.08Å; P93-M112 HydrophobicContact CB-SD 3.78Å; P93-M112 HydrophobicContact CG-SD 3.92Å; Q94-M112 CarbonylContact O-C 3.6Å; Q94-M112 WeakPolarHBondContact O-CA 3.43Å; Q94-M112 WeakPolarHBondContact O-CB 3.49Å; Y110-M112 HydrophobicContact CE2-CG 4.47Å; Y110-M112 HydrophobicContact CE2-SD 3.94Å |
| 113 | E | 93 | Very high | 89.2 | Confident | 81 Ų | 81 | 49.2 Ų | 49.2 | 38% | 0.379 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 142.9 | 175.4 | -172.4 | 178.1 | -154.6 | 0 | 0 | 111.7 | Q94 H115 | Q94-E113 HydrophobicContact CB-CB 4.04Å; Q94-E113 PolarHBondContact O-N 3.38Å; E113-H115 IonicContact OE2-CE1 3.93Å |
| 114 | H | 90.9 | Very high | 88.8 | Confident | 27 Ų | 27 | 41.8 Ų | 41.8 | 13% | 0.125 | 21% | 0.212 | C | C | . | . | trans | -100.4 | 126.2 | 173.5 | 179.2 | -101.7 | 0 | 0 | 0 | 111.1 | Y40 L50 S57 V59 E116 | Y40-H114 PolarHBondContact OH-CD2 3.41Å; Y40-H114 VanDerWaalsContact OH-CD2 3.28Å; Y40-H114 PolarHBondContact OH-NE2 2.93Å; Y40-H114 VanDerWaalsContact OH-NE2 3.15Å; L50-H114 HydrophobicContact CD1-CB 4.47Å; S57-H114 WeakPolarHBondContact O-CB 3.36Å; V59-H114 HydrophobicContact CG2-CB 3.95Å; H114-E116 WeakPolarHBondContact ND1-CG 3.4Å; H114-E116 PolarHBondContact O-N 2.69Å | ||
| 115 | H | 84.1 | Confident | 88.1 | Confident | 35 Ų | 35 | 42.4 Ų | 42.4 | 16% | 0.162 | 21% | 0.214 | C | C | . | . | trans | -90.4 | 86.3 | 176.9 | -66.5 | -65.9 | 0 | 0 | 0 | 111.8 | M1 E113 Q117 G118 I221 M230 | M1-H115 WeakPolarHBondContact CE-O 3.15Å; E113-H115 IonicContact OE2-CE1 3.93Å; H115-Q117 VanDerWaalsContact C-N 3.28Å; H115-Q117 PolarHBondContact O-N 3.01Å; H115-G118 PolarHBondContact O-N 3.12Å; H115-I221 HydrophobicContact CB-CD1 4.21Å; H115-I221 HydrophobicContact CB-CG2 4.31Å; H115-M230 HydrophobicContact CB-CE 4.03Å; H115-M230 WeakPolarHBondContact ND1-CE 3.38Å | ||
| 116 | E | 71.3 | Confident | 87.8 | Confident | 115 Ų | 115 | 42 Ų | 42 | 54% | 0.537 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32.6 | -172.4 | -70.5 | -177.3 | 174.2 | 0 | 0 | 115.2 | M1 S57 H114 | M1-E116 WeakPolarHBondContact CE-O 3.32Å; S57-E116 WeakPolarHBondContact CB-OE1 3.16Å; S57-E116 PolarHBondContact OG-OE1 2.81Å; H114-E116 WeakPolarHBondContact ND1-CG 3.4Å; H114-E116 PolarHBondContact O-N 2.69Å |
| 117 | Q | 79.9 | Confident | 87.4 | Confident | 150 Ų | 150 | 42.7 Ų | 42.7 | 70% | 0.701 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 5.4 | -173.7 | -58.2 | -174.6 | -10.6 | 0 | 0 | 113.9 | H115 P224 | H115-Q117 VanDerWaalsContact C-N 3.28Å; H115-Q117 PolarHBondContact O-N 3.01Å; Q117-P224 HydrophobicContact CB-CB 4.37Å; Q117-P224 HydrophobicContact CB-CG 3.88Å; Q117-P224 WeakPolarHBondContact O-CA 3.35Å; Q117-P224 WeakPolarHBondContact O-CB 3.35Å; Q117-P224 VanDerWaalsContact O-CD 3.28Å; Q117-P224 WeakPolarHBondContact O-CD 3.39Å; Q117-P224 VanDerWaalsContact O-CG 3.27Å; Q117-P224 WeakPolarHBondContact O-CG 3.42Å |
| 118 | G | 86.6 | Confident | 87.1 | Confident | 11 Ų | 11 | 46 Ų | 46 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | trans | -73.2 | 150.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | H115 F222 | H115-G118 PolarHBondContact O-N 3.12Å; G118-F222 CarbonylContact C-O 3.54Å; G118-F222 WeakPolarHBondContact CA-O 3.41Å | ||
| 119 | R | 90.9 | Very high | 86.9 | Confident | 69 Ų | 69 | 44.9 Ų | 44.9 | 26% | 0.26 | 24% | 0.237 | S | C | . | . | B | Isolated β-bridge | trans | -99.2 | 136.3 | 172.8 | -63.6 | -179.2 | -63.6 | 151 | 1.9 | 110.4 | F121 F222 H223 P224 E226 | R119-F121 HydrophobicContact CB-CE1 4.29Å; R119-F121 HydrophobicContact CB-CZ 4.08Å; R119-F222 HydrophobicContact CB-CB 4.38Å; R119-F222 PolarHBondContact N-O 3.44Å; R119-F222 PolarHBondContact O-N 3.17Å; R119-H223 PolarHBondContact NE-O 3.16Å; R119-H223 PolarHBondContact NH2-O 3.34Å; R119-P224 VanDerWaalsContact CD-O 3.24Å; R119-P224 WeakPolarHBondContact CD-O 3.5Å; R119-P224 PolarHBondContact NE-O 2.89Å; R119-P224 VanDerWaalsContact NE-O 3.12Å; R119-E226 PolarHBondContact NH2-O 3.46Å |
| 120 | I | 90 | Very high | 86.6 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 16% | 0.164 | 26% | 0.255 | C | S | . | . | trans | -123.2 | 123.3 | 173.3 | -61.2 | 174.4 | 0 | 0 | 0 | 107.9 | R122 D218 I221 L233 | I120-R122 HydrophobicContact CG2-CG 4.28Å; I120-D218 HydrophobicContact CG2-CB 4.28Å; I120-D218 VanDerWaalsContact CG2-O 3.23Å; I120-D218 WeakPolarHBondContact CG2-O 3.37Å; I120-I221 HydrophobicContact CD1-CG1 4.15Å; I120-I221 HydrophobicContact CG1-CG1 4.08Å; I120-L233 HydrophobicContact CD1-CD1 4.33Å | ||
| 121 | F | 89 | Confident | 86 | Confident | 25 Ų | 25 | 50.4 Ų | 50.4 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | trans | -93.9 | 102.4 | -179.4 | -57.7 | -57.5 | 0 | 0 | 0 | 110.8 | R119 L126 M129 V137 D218 F222 | R119-F121 HydrophobicContact CB-CE1 4.29Å; R119-F121 HydrophobicContact CB-CZ 4.08Å; F121-L126 HydrophobicContact CB-CD2 3.44Å; F121-L126 VanDerWaalsContact CB-CD2 3.44Å; F121-L126 HydrophobicContact CD1-CD2 3.79Å; F121-L126 HydrophobicContact CD2-CD2 3.95Å; F121-L126 HydrophobicContact CG-CD2 3.42Å; F121-L126 VanDerWaalsContact CG-CD2 3.42Å; F121-M129 HydrophobicContact CD1-CE 3.71Å; F121-M129 HydrophobicContact CE1-CE 3.05Å; F121-M129 HydrophobicContact CE2-CE 4.21Å; F121-M129 HydrophobicContact CZ-CE 3.36Å; F121-V137 HydrophobicContact CD2-CG1 3.69Å; F121-V137 HydrophobicContact CD2-CG2 4.45Å; F121-V137 HydrophobicContact CE2-CG1 3.85Å; F121-V137 HydrophobicContact CE2-CG2 3.85Å; F121-V137 HydrophobicContact CZ-CG2 4.36Å; F121-D218 WeakPolarHBondContact O-CA 3.4Å; F121-D218 WeakPolarHBondContact O-CB 3.39Å; F121-D218 PolarHBondContact O-N 2.95Å; F121-F222 AromaticContact CD2-CD2 3.58Å; F121-F222 HydrophobicContact CD2-CD2 3.58Å; F121-F222 AromaticContact CD2-CE2 3.7Å; F121-F222 HydrophobicContact CD2-CE2 3.7Å; F121-F222 HydrophobicContact CD2-CG 4.25Å; F121-F222 HydrophobicContact CD2-CZ 4.46Å; F121-F222 HydrophobicContact CE2-CB 4.02Å; F121-F222 HydrophobicContact CE2-CD1 4.28Å; F121-F222 AromaticContact CE2-CD2 3.47Å; F121-F222 HydrophobicContact CE2-CD2 3.47Å; F121-F222 VanDerWaalsContact CE2-CD2 3.47Å; F121-F222 AromaticContact CE2-CE2 3.93Å; F121-F222 HydrophobicContact CE2-CE2 3.93Å; F121-F222 AromaticContact CE2-CG 3.66Å; F121-F222 HydrophobicContact CE2-CG 3.66Å | ||
| 122 | R | 83.3 | Confident | 85.3 | Confident | 101 Ų | 101 | 53.5 Ų | 53.5 | 38% | 0.381 | 30% | 0.3 | S | S | . | . | trans | -87.3 | -27.3 | 179.7 | -66.7 | 176.7 | -179.4 | 77.2 | -3.3 | 113.4 | I120 D218 | I120-R122 HydrophobicContact CG2-CG 4.28Å; R122-D218 HydrophobicContact CG-CB 4.13Å | ||
| 123 | D | 80.8 | Confident | 85 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -93.4 | 118.4 | 170.5 | -166.9 | -21.5 | 0 | 0 | 0 | 109 | Q125 L126 P127 | D123-Q125 PolarHBondContact O-N 3.25Å; D123-Q125 WeakPolarHBondContact OD1-CB 3.12Å; D123-Q125 PolarHBondContact OD1-N 3.24Å; D123-L126 PolarHBondContact O-N 3.32Å; D123-L126 VanDerWaalsContact O-N 3.12Å; D123-P127 HydrophobicContact CB-CG 4.22Å |
| 124 | F | 82.6 | Confident | 84.9 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -15.3 | -179.8 | -58.1 | -43.7 | 0 | 0 | 0 | 112.9 | L126 Y138 R216 L217 I266 | F124-L126 PolarHBondContact O-N 3.32Å; F124-Y138 PolarHBondContact O-OH 3.16Å; F124-R216 VanDerWaalsContact CZ-NH2 3.28Å; F124-L217 HydrophobicContact CD1-CB 3.8Å; F124-L217 HydrophobicContact CD1-CD1 3.96Å; F124-L217 HydrophobicContact CD1-CG 4.37Å; F124-L217 HydrophobicContact CE1-CB 3.73Å; F124-I266 WeakPolarHBondContact CE2-O 3.41Å |
| 125 | Q | 78.8 | Confident | 84.8 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 12% | 0.121 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -15.8 | 171.2 | -62.1 | -174.9 | -35.1 | 0 | 0 | 112.6 | D123 R134 Q270 E271 | D123-Q125 PolarHBondContact O-N 3.25Å; D123-Q125 WeakPolarHBondContact OD1-CB 3.12Å; D123-Q125 PolarHBondContact OD1-N 3.24Å; Q125-R134 PolarHBondContact O-NH1 3.15Å; Q125-Q270 PolarHBondContact NE2-O 3.19Å; Q125-E271 PolarHBondContact NE2-O 3.42Å |
| 126 | L | 86.4 | Confident | 85.1 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | trans | 52.6 | 56.9 | -178.3 | -56.7 | 173.3 | 0 | 0 | 0 | 111.8 | F121 D123 F124 M129 R134 V137 Y138 | F121-L126 HydrophobicContact CB-CD2 3.44Å; F121-L126 VanDerWaalsContact CB-CD2 3.44Å; F121-L126 HydrophobicContact CD1-CD2 3.79Å; F121-L126 HydrophobicContact CD2-CD2 3.95Å; F121-L126 HydrophobicContact CG-CD2 3.42Å; F121-L126 VanDerWaalsContact CG-CD2 3.42Å; D123-L126 PolarHBondContact O-N 3.32Å; D123-L126 VanDerWaalsContact O-N 3.12Å; F124-L126 PolarHBondContact O-N 3.32Å; L126-M129 HydrophobicContact CB-CB 4.47Å; L126-M129 HydrophobicContact CB-CG 4.25Å; L126-M129 HydrophobicContact CB-SD 3.93Å; L126-M129 HydrophobicContact CD1-SD 4.31Å; L126-M129 HydrophobicContact CD2-CE 4.39Å; L126-M129 HydrophobicContact CG-SD 4.5Å; L126-M129 WeakPolarHBondContact O-CB 3.17Å; L126-M129 PolarHBondContact O-N 3.39Å; L126-R134 HydrophobicContact CB-CG 3.98Å; L126-R134 HydrophobicContact CD1-CB 4.05Å; L126-R134 HydrophobicContact CD1-CG 4.11Å; L126-R134 PolarHBondContact O-NH1 2.93Å; L126-V137 HydrophobicContact CD1-CB 3.85Å; L126-V137 HydrophobicContact CD1-CG1 3.81Å; L126-V137 HydrophobicContact CD1-CG2 4.37Å; L126-V137 HydrophobicContact CD2-CG1 4.24Å; L126-Y138 HydrophobicContact CD1-CD2 3.93Å; L126-Y138 HydrophobicContact CD1-CE2 3.85Å; L126-Y138 HydrophobicContact CG-CE2 4.47Å | ||
| 127 | P | 82.1 | Confident | 86.3 | Confident | 77 Ų | 77 | 50.2 Ų | 50.2 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 144 | -174 | 26.7 | -35.4 | 0 | 0 | 0 | 111.4 | D123 M129 | D123-P127 HydrophobicContact CB-CG 4.22Å; P127-M129 VanDerWaalsContact C-N 3.27Å; P127-M129 PolarHBondContact O-N 2.9Å |
| 128 | G | 83.8 | Confident | 87 | Confident | 87 Ų | 87 | 43.4 Ų | 43.4 | 90% | 0.897 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 2.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 129 | M | 89.3 | Confident | 87.4 | Confident | 31 Ų | 31 | 44.1 Ų | 44.1 | 15% | 0.153 | 26% | 0.263 | C | S | . | . | trans | -94.7 | 146.5 | 171.6 | -64.2 | -161.8 | -176.2 | 0 | 0 | 112.5 | F121 L126 P127 Q133 R134 V137 | F121-M129 HydrophobicContact CD1-CE 3.71Å; F121-M129 HydrophobicContact CE1-CE 3.05Å; F121-M129 HydrophobicContact CE2-CE 4.21Å; F121-M129 HydrophobicContact CZ-CE 3.36Å; L126-M129 HydrophobicContact CB-CB 4.47Å; L126-M129 HydrophobicContact CB-CG 4.25Å; L126-M129 HydrophobicContact CB-SD 3.93Å; L126-M129 HydrophobicContact CD1-SD 4.31Å; L126-M129 HydrophobicContact CD2-CE 4.39Å; L126-M129 HydrophobicContact CG-SD 4.5Å; L126-M129 WeakPolarHBondContact O-CB 3.17Å; L126-M129 PolarHBondContact O-N 3.39Å; P127-M129 VanDerWaalsContact C-N 3.27Å; P127-M129 PolarHBondContact O-N 2.9Å; M129-Q133 HydrophobicContact CB-CB 4.03Å; M129-Q133 HydrophobicContact CG-CB 4.48Å; M129-Q133 HydrophobicContact SD-CB 4.16Å; M129-R134 HydrophobicContact CB-CG 3.94Å; M129-V137 HydrophobicContact CE-CG2 4.43Å; M129-V137 HydrophobicContact SD-CG2 4.14Å | ||
| 130 | S | 88.9 | Confident | 87.7 | Confident | 52 Ų | 52 | 41.3 Ų | 41.3 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | trans | -66.7 | 156.3 | 167.4 | 65.6 | 0 | 0 | 0 | 0 | 111.4 | A132 Q133 R134 | S130-A132 VanDerWaalsContact C-N 3.26Å; S130-A132 PolarHBondContact O-N 3.19Å; S130-Q133 WeakPolarHBondContact O-CB 3.41Å; S130-Q133 PolarHBondContact O-N 3.33Å; S130-Q133 VanDerWaalsContact OG-CD 3.3Å; S130-Q133 VanDerWaalsContact OG-CG 3.32Å; S130-Q133 WeakPolarHBondContact OG-CG 3.22Å; S130-Q133 PolarHBondContact OG-N 3.38Å; S130-Q133 PolarHBondContact OG-OE1 2.92Å; S130-R134 PolarHBondContact O-N 3.25Å; S130-R134 VanDerWaalsContact O-N 3.09Å | ||
| 131 | P | 83.7 | Confident | 88 | Confident | 65 Ų | 65 | 39.8 Ų | 39.8 | 42% | 0.422 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -51.2 | -41.5 | 176.5 | -30.7 | 36.9 | 0 | 0 | 0 | 114.3 | Q133 R134 T135 | P131-Q133 PolarHBondContact O-N 3.28Å; P131-R134 PolarHBondContact O-N 3.12Å; P131-T135 PolarHBondContact O-N 3.01Å; P131-T135 PolarHBondContact O-OG1 3.44Å |
| 132 | A | 80.8 | Confident | 88.4 | Confident | 65 Ų | 65 | 38.6 Ų | 38.6 | 54% | 0.537 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.9 | -36.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | S130 S136 | S130-A132 VanDerWaalsContact C-N 3.26Å; S130-A132 PolarHBondContact O-N 3.19Å; A132-S136 WeakPolarHBondContact O-CB 2.99Å; A132-S136 PolarHBondContact O-N 3.3Å; A132-S136 PolarHBondContact O-OG 2.61Å |
| 133 | Q | 88.6 | Confident | 89.1 | Confident | 97 Ų | 97 | 37.6 Ų | 37.6 | 45% | 0.453 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.1 | -41.2 | 176 | -74.7 | 166.1 | -45.4 | 0 | 0 | 111.3 | M129 S130 P131 S136 V137 | M129-Q133 HydrophobicContact CB-CB 4.03Å; M129-Q133 HydrophobicContact CG-CB 4.48Å; M129-Q133 HydrophobicContact SD-CB 4.16Å; S130-Q133 WeakPolarHBondContact O-CB 3.41Å; S130-Q133 PolarHBondContact O-N 3.33Å; S130-Q133 VanDerWaalsContact OG-CD 3.3Å; S130-Q133 VanDerWaalsContact OG-CG 3.32Å; S130-Q133 WeakPolarHBondContact OG-CG 3.22Å; S130-Q133 PolarHBondContact OG-N 3.38Å; S130-Q133 PolarHBondContact OG-OE1 2.92Å; P131-Q133 PolarHBondContact O-N 3.28Å; Q133-S136 PolarHBondContact O-N 3.18Å; Q133-V137 WeakPolarHBondContact O-CG2 3.45Å; Q133-V137 PolarHBondContact O-N 3.36Å |
| 134 | R | 91.9 | Very high | 89.9 | Confident | 17 Ų | 17 | 36 Ų | 36 | 6% | 0.064 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 174.5 | -62.5 | -168 | -123.9 | -116.2 | 4.9 | 111.8 | Q125 L126 M129 S130 P131 S136 V137 Y138 E273 A274 G275 | Q125-R134 PolarHBondContact O-NH1 3.15Å; L126-R134 HydrophobicContact CB-CG 3.98Å; L126-R134 HydrophobicContact CD1-CB 4.05Å; L126-R134 HydrophobicContact CD1-CG 4.11Å; L126-R134 PolarHBondContact O-NH1 2.93Å; M129-R134 HydrophobicContact CB-CG 3.94Å; S130-R134 PolarHBondContact O-N 3.25Å; S130-R134 VanDerWaalsContact O-N 3.09Å; P131-R134 PolarHBondContact O-N 3.12Å; R134-S136 VanDerWaalsContact C-N 3.26Å; R134-S136 PolarHBondContact O-N 3.31Å; R134-V137 PolarHBondContact O-N 3.33Å; R134-Y138 PolarHBondContact O-N 3.28Å; R134-Y138 VanDerWaalsContact O-N 3.1Å; R134-E273 IonicContact CZ-OE2 3.78Å; R134-E273 IonicContact NH1-OE1 3.59Å; R134-E273 IonicContact NH1-OE2 3.43Å; R134-E273 PolarHBondContact NH1-OE2 2.72Å; R134-E273 IonicContact NH2-OE2 3.66Å; R134-E273 PolarHBondContact NH2-OE2 3.5Å; R134-A274 PolarHBondContact NE-O 2.92Å; R134-G275 WeakPolarHBondContact CB-O 3.36Å |
| 135 | T | 87.8 | Confident | 90.6 | Very high | 42 Ų | 42 | 35.4 Ų | 35.4 | 26% | 0.258 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -55.3 | -44.7 | 175.8 | -66.7 | 0 | 0 | 0 | 0 | 111.2 | P131 T139 G275 P277 | P131-T135 PolarHBondContact O-N 3.01Å; P131-T135 PolarHBondContact O-OG1 3.44Å; T135-T139 VanDerWaalsContact O-CB 3.28Å; T135-T139 WeakPolarHBondContact O-CB 3.43Å; T135-T139 PolarHBondContact O-N 2.8Å; T135-T139 PolarHBondContact O-OG1 3.2Å; T135-G275 WeakPolarHBondContact CA-O 3.47Å; T135-G275 PolarHBondContact N-O 3.02Å; T135-G275 PolarHBondContact OG1-O 2.88Å; T135-P277 HydrophobicContact CG2-CG 4.05Å |
| 136 | S | 91.9 | Very high | 91.5 | Very high | 47 Ų | 47 | 34.1 Ų | 34.1 | 33% | 0.329 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.4 | -37.6 | -178.6 | -58.5 | 0 | 0 | 0 | 0 | 112.9 | A132 Q133 R134 A140 | A132-S136 WeakPolarHBondContact O-CB 2.99Å; A132-S136 PolarHBondContact O-N 3.3Å; A132-S136 PolarHBondContact O-OG 2.61Å; Q133-S136 PolarHBondContact O-N 3.18Å; R134-S136 VanDerWaalsContact C-N 3.26Å; R134-S136 PolarHBondContact O-N 3.31Å; S136-A140 WeakPolarHBondContact O-CB 3.39Å; S136-A140 PolarHBondContact O-N 2.98Å |
| 137 | V | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.7 | -49.3 | 175.8 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | F121 L126 M129 Q133 R134 T139 A140 A141 L217 F222 T227 | F121-V137 HydrophobicContact CD2-CG1 3.69Å; F121-V137 HydrophobicContact CD2-CG2 4.45Å; F121-V137 HydrophobicContact CE2-CG1 3.85Å; F121-V137 HydrophobicContact CE2-CG2 3.85Å; F121-V137 HydrophobicContact CZ-CG2 4.36Å; L126-V137 HydrophobicContact CD1-CB 3.85Å; L126-V137 HydrophobicContact CD1-CG1 3.81Å; L126-V137 HydrophobicContact CD1-CG2 4.37Å; L126-V137 HydrophobicContact CD2-CG1 4.24Å; M129-V137 HydrophobicContact CE-CG2 4.43Å; M129-V137 HydrophobicContact SD-CG2 4.14Å; Q133-V137 WeakPolarHBondContact O-CG2 3.45Å; Q133-V137 PolarHBondContact O-N 3.36Å; R134-V137 PolarHBondContact O-N 3.33Å; V137-T139 VanDerWaalsContact C-N 3.35Å; V137-T139 PolarHBondContact O-N 2.89Å; V137-A140 PolarHBondContact O-N 3.3Å; V137-A141 PolarHBondContact O-N 2.73Å; V137-L217 HydrophobicContact CG1-CD2 3.95Å; V137-F222 HydrophobicContact CG1-CE1 4.13Å; V137-F222 HydrophobicContact CG1-CE2 4.24Å; V137-F222 HydrophobicContact CG1-CZ 3.78Å; V137-T227 HydrophobicContact CG2-CG2 3.85Å |
| 138 | Y | 94.7 | Very high | 92.7 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.8 | -38.6 | 178.3 | -90.2 | -91.3 | 0 | 0 | 0 | 112.3 | F124 L126 R134 A141 V142 L217 F250 I276 L282 | F124-Y138 PolarHBondContact O-OH 3.16Å; L126-Y138 HydrophobicContact CD1-CD2 3.93Å; L126-Y138 HydrophobicContact CD1-CE2 3.85Å; L126-Y138 HydrophobicContact CG-CE2 4.47Å; R134-Y138 PolarHBondContact O-N 3.28Å; R134-Y138 VanDerWaalsContact O-N 3.1Å; Y138-A141 PolarHBondContact O-N 2.9Å; Y138-V142 WeakPolarHBondContact O-CG2 3.26Å; Y138-V142 PolarHBondContact O-N 2.86Å; Y138-V142 VanDerWaalsContact O-N 3.08Å; Y138-L217 HydrophobicContact CD1-CD1 4.4Å; Y138-L217 HydrophobicContact CD2-CD1 4.24Å; Y138-L217 HydrophobicContact CE1-CD1 3.88Å; Y138-L217 HydrophobicContact CE2-CD1 3.69Å; Y138-L217 VanDerWaalsContact CZ-CD1 3.49Å; Y138-F250 HydrophobicContact CD1-CE1 4.15Å; Y138-F250 AromaticContact CD1-CZ 3.83Å; Y138-F250 HydrophobicContact CD1-CZ 3.83Å; Y138-F250 HydrophobicContact CE1-CZ 4.18Å; Y138-I276 HydrophobicContact CD2-CG2 4.21Å; Y138-I276 HydrophobicContact CE1-CG2 4.24Å; Y138-I276 HydrophobicContact CE2-CD1 4.4Å; Y138-I276 HydrophobicContact CE2-CG1 4.12Å; Y138-I276 HydrophobicContact CE2-CG2 3.87Å; Y138-L282 HydrophobicContact CD1-CD1 4Å |
| 139 | T | 94.9 | Very high | 93.3 | Very high | 27 Ų | 27 | 30.9 Ų | 30.9 | 17% | 0.166 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60 | -52.7 | 174.8 | -61.2 | 0 | 0 | 0 | 0 | 110.5 | T135 V137 A141 V142 E143 I285 | T135-T139 VanDerWaalsContact O-CB 3.28Å; T135-T139 WeakPolarHBondContact O-CB 3.43Å; T135-T139 PolarHBondContact O-N 2.8Å; T135-T139 PolarHBondContact O-OG1 3.2Å; V137-T139 VanDerWaalsContact C-N 3.35Å; V137-T139 PolarHBondContact O-N 2.89Å; T139-A141 VanDerWaalsContact C-N 3.27Å; T139-A141 PolarHBondContact O-N 3.42Å; T139-V142 PolarHBondContact O-N 2.88Å; T139-V142 VanDerWaalsContact O-N 3.12Å; T139-E143 HydrophobicContact CG2-CG 4.21Å; T139-E143 VanDerWaalsContact O-CG 3.3Å; T139-E143 WeakPolarHBondContact O-CG 3.37Å; T139-E143 PolarHBondContact O-N 2.84Å; T139-I285 HydrophobicContact CG2-CD1 4.13Å; T139-I285 HydrophobicContact CG2-CG2 4.37Å |
| 140 | A | 97 | Very high | 93.6 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 8% | 0.083 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61 | -35.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S136 V137 N144 F222 T227 V229 | S136-A140 WeakPolarHBondContact O-CB 3.39Å; S136-A140 PolarHBondContact O-N 2.98Å; V137-A140 PolarHBondContact O-N 3.3Å; A140-N144 VanDerWaalsContact O-CB 3.29Å; A140-N144 WeakPolarHBondContact O-CB 3.29Å; A140-N144 PolarHBondContact O-N 3.48Å; A140-F222 HydrophobicContact CB-CE1 4.11Å; A140-T227 VanDerWaalsContact CB-O 3.23Å; A140-T227 WeakPolarHBondContact CB-O 3.5Å; A140-V229 HydrophobicContact CB-CG2 4.42Å |
| 141 | A | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.2 | -43.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | V137 Y138 T139 L145 Y215 L217 L220 F222 F250 | V137-A141 PolarHBondContact O-N 2.73Å; Y138-A141 PolarHBondContact O-N 2.9Å; T139-A141 VanDerWaalsContact C-N 3.27Å; T139-A141 PolarHBondContact O-N 3.42Å; A141-L145 PolarHBondContact O-N 2.87Å; A141-Y215 WeakPolarHBondContact O-CE1 3.36Å; A141-Y215 PolarHBondContact O-OH 2.91Å; A141-L217 HydrophobicContact CB-CD2 3.62Å; A141-L220 HydrophobicContact CB-CD1 3.58Å; A141-F222 HydrophobicContact CB-CZ 4.43Å; A141-F250 HydrophobicContact CB-CE2 3.93Å; A141-F250 HydrophobicContact CB-CZ 3.79Å |
| 142 | V | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -74.3 | -37.5 | 179.5 | 171.6 | 0 | 0 | 0 | 0 | 112.4 | Y138 T139 N144 L145 A146 F250 L282 I285 Y286 | Y138-V142 WeakPolarHBondContact O-CG2 3.26Å; Y138-V142 PolarHBondContact O-N 2.86Å; Y138-V142 VanDerWaalsContact O-N 3.08Å; T139-V142 PolarHBondContact O-N 2.88Å; T139-V142 VanDerWaalsContact O-N 3.12Å; V142-N144 VanDerWaalsContact C-N 3.3Å; V142-N144 PolarHBondContact O-N 3.22Å; V142-L145 WeakPolarHBondContact O-CB 3.38Å; V142-L145 PolarHBondContact O-N 2.69Å; V142-A146 WeakPolarHBondContact O-CB 3.42Å; V142-A146 PolarHBondContact O-N 3.25Å; V142-F250 HydrophobicContact CG2-CD1 3.87Å; V142-F250 HydrophobicContact CG2-CE1 3.3Å; V142-F250 HydrophobicContact CG2-CZ 4Å; V142-L282 WeakPolarHBondContact CG1-O 3.34Å; V142-L282 HydrophobicContact CG2-CB 4.07Å; V142-L282 HydrophobicContact CG2-CD2 3.76Å; V142-L282 HydrophobicContact CG2-CG 4.34Å; V142-I285 HydrophobicContact CG1-CB 4.33Å; V142-I285 HydrophobicContact CG1-CG2 4.09Å; V142-Y286 HydrophobicContact CG1-CD2 4.39Å |
| 143 | E | 97.3 | Very high | 94.6 | Very high | 80 Ų | 80 | 31.7 Ų | 31.7 | 37% | 0.374 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61 | -41.7 | 173.4 | -70.5 | 179.6 | 161.4 | 0 | 0 | 110.9 | T139 A146 K147 I285 | T139-E143 HydrophobicContact CG2-CG 4.21Å; T139-E143 VanDerWaalsContact O-CG 3.3Å; T139-E143 WeakPolarHBondContact O-CG 3.37Å; T139-E143 PolarHBondContact O-N 2.84Å; E143-A146 PolarHBondContact O-N 3.2Å; E143-K147 WeakPolarHBondContact O-CB 3.43Å; E143-K147 PolarHBondContact O-N 3.41Å; E143-I285 HydrophobicContact CG-CG2 3.72Å |
| 144 | N | 98.1 | Very high | 94.6 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 6% | 0.059 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -39.2 | 173.8 | -174.5 | 68.2 | 0 | 0 | 0 | 112.4 | F90 P91 A140 V142 K147 L148 Y215 V229 S232 | F90-N144 WeakPolarHBondContact CE2-O 3.48Å; P91-N144 WeakPolarHBondContact CG-OD1 3.27Å; A140-N144 VanDerWaalsContact O-CB 3.29Å; A140-N144 WeakPolarHBondContact O-CB 3.29Å; A140-N144 PolarHBondContact O-N 3.48Å; V142-N144 VanDerWaalsContact C-N 3.3Å; V142-N144 PolarHBondContact O-N 3.22Å; N144-K147 WeakPolarHBondContact O-CB 3.46Å; N144-K147 PolarHBondContact O-N 3.39Å; N144-L148 PolarHBondContact O-N 3.4Å; N144-Y215 WeakPolarHBondContact CB-OH 3.45Å; N144-Y215 PolarHBondContact ND2-OH 2.64Å; N144-V229 HydrophobicContact CB-CB 4.26Å; N144-V229 HydrophobicContact CB-CG1 4.47Å; N144-V229 HydrophobicContact CB-CG2 4.04Å; N144-S232 PolarHBondContact ND2-OG 3.34Å |
| 145 | L | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 174.5 | -176.4 | 59.9 | 0 | 0 | 0 | 111.9 | A141 V142 K147 L148 H149 Y215 D246 L247 Y286 | A141-L145 PolarHBondContact O-N 2.87Å; V142-L145 WeakPolarHBondContact O-CB 3.38Å; V142-L145 PolarHBondContact O-N 2.69Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 3.2Å; L145-L148 HydrophobicContact CD1-CD2 4.44Å; L145-L148 WeakPolarHBondContact O-CB 3.36Å; L145-L148 PolarHBondContact O-N 3.1Å; L145-H149 WeakPolarHBondContact CD1-CE1 3.25Å; L145-H149 PolarHBondContact O-N 2.98Å; L145-Y215 HydrophobicContact CB-CD1 4.19Å; L145-Y215 HydrophobicContact CB-CE1 3.65Å; L145-Y215 HydrophobicContact CB-CE2 4.4Å; L145-Y215 HydrophobicContact CD1-CD1 3.84Å; L145-Y215 HydrophobicContact CD1-CD2 3.84Å; L145-Y215 HydrophobicContact CD1-CE1 4.08Å; L145-Y215 HydrophobicContact CD1-CE2 4.08Å; L145-Y215 HydrophobicContact CD1-CG 3.69Å; L145-Y215 HydrophobicContact CD2-CD1 4.02Å; L145-Y215 HydrophobicContact CD2-CE1 4.24Å; L145-Y215 HydrophobicContact CG-CD1 4.23Å; L145-Y215 HydrophobicContact CG-CE1 4.2Å; L145-Y215 PolarHBondContact N-OH 3Å; L145-D246 HydrophobicContact CD1-CB 3.98Å; L145-L247 HydrophobicContact CD2-CB 4.36Å; L145-L247 HydrophobicContact CD2-CD1 4.28Å; L145-Y286 HydrophobicContact CD2-CE2 4.47Å; L145-Y286 HydrophobicContact CG-CE2 4.23Å |
| 146 | A | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.6 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V142 E143 H149 S150 Y286 C289 R290 | V142-A146 WeakPolarHBondContact O-CB 3.42Å; V142-A146 PolarHBondContact O-N 3.25Å; E143-A146 PolarHBondContact O-N 3.2Å; A146-H149 PolarHBondContact O-N 3.37Å; A146-S150 WeakPolarHBondContact O-CB 3.43Å; A146-S150 PolarHBondContact O-N 3.39Å; A146-S150 PolarHBondContact O-OG 3.24Å; A146-Y286 HydrophobicContact CB-CD2 3.75Å; A146-Y286 HydrophobicContact CB-CE2 4.07Å; A146-Y286 HydrophobicContact CB-CG 4.47Å; A146-C289 HydrophobicContact CB-CB 3.38Å; A146-R290 HydrophobicContact CB-CG 4.1Å; A146-R290 VanDerWaalsContact O-CD 3.29Å; A146-R290 WeakPolarHBondContact O-CD 3.31Å |
| 147 | K | 97.1 | Very high | 94.5 | Very high | 96 Ų | 96 | 38.1 Ų | 38.1 | 42% | 0.417 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 173.5 | -172.8 | -178.8 | 175.6 | -175 | 0 | 111.1 | G89 F90 E143 N144 L145 H149 S150 L151 | G89-K147 PolarHBondContact O-NZ 3Å; F90-K147 HydrophobicContact CD2-CD 4.19Å; F90-K147 HydrophobicContact CD2-CG 4.09Å; F90-K147 HydrophobicContact CE2-CB 4.2Å; F90-K147 HydrophobicContact CE2-CD 4.46Å; F90-K147 HydrophobicContact CE2-CG 4.26Å; E143-K147 WeakPolarHBondContact O-CB 3.43Å; E143-K147 PolarHBondContact O-N 3.41Å; N144-K147 WeakPolarHBondContact O-CB 3.46Å; N144-K147 PolarHBondContact O-N 3.39Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 3.2Å; K147-H149 PolarHBondContact O-N 3.49Å; K147-S150 PolarHBondContact O-N 2.95Å; K147-L151 PolarHBondContact O-N 3.46Å |
| 148 | L | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.4 | -50.9 | 176.5 | 177 | 60 | 0 | 0 | 0 | 111.1 | L85 F90 N144 L145 S150 L151 L210 H212 W235 | L85-L148 HydrophobicContact CD2-CD1 3.86Å; F90-L148 HydrophobicContact CD2-CB 4.43Å; F90-L148 HydrophobicContact CE1-CD1 4.34Å; F90-L148 HydrophobicContact CE2-CB 3.6Å; F90-L148 HydrophobicContact CE2-CD1 4.33Å; F90-L148 HydrophobicContact CZ-CB 3.73Å; F90-L148 HydrophobicContact CZ-CD1 4.19Å; F90-L148 HydrophobicContact CZ-CG 4.41Å; N144-L148 PolarHBondContact O-N 3.4Å; L145-L148 HydrophobicContact CD1-CD2 4.44Å; L145-L148 WeakPolarHBondContact O-CB 3.36Å; L145-L148 PolarHBondContact O-N 3.1Å; L148-S150 PolarHBondContact O-N 3.38Å; L148-L151 HydrophobicContact CD1-CD1 4.1Å; L148-L151 WeakPolarHBondContact O-CB 3.09Å; L148-L151 WeakPolarHBondContact O-CG 3.35Å; L148-L151 PolarHBondContact O-N 3.5Å; L148-L210 HydrophobicContact CD1-CD2 3.92Å; L148-L210 HydrophobicContact CD1-CG 4.27Å; L148-H212 HydrophobicContact CD2-CB 4.01Å; L148-W235 HydrophobicContact CD1-CH2 3.65Å; L148-W235 HydrophobicContact CD1-CZ3 4.09Å; L148-W235 HydrophobicContact CD2-CH2 3.75Å; L148-W235 HydrophobicContact CD2-CZ3 4.13Å; L148-W235 HydrophobicContact CG-CH2 4.35Å |
| 149 | H | 96.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -74.3 | -7.5 | -178.1 | -58.8 | 161.8 | 0 | 0 | 0 | 114 | L145 A146 K147 L210 P243 D246 Y286 R290 | L145-H149 WeakPolarHBondContact CD1-CE1 3.25Å; L145-H149 PolarHBondContact O-N 2.98Å; A146-H149 PolarHBondContact O-N 3.37Å; K147-H149 PolarHBondContact O-N 3.49Å; H149-L210 PolarHBondContact CD2-O 3.01Å; H149-P243 HydrophobicContact CB-CB 3.94Å; H149-P243 PolarHBondContact CE1-O 3.16Å; H149-P243 WeakPolarHBondContact ND1-CB 3.35Å; H149-D246 IonicContact NE2-OD2 3.48Å; H149-D246 PolarHBondContact NE2-OD2 3.13Å; H149-Y286 AromaticContact ND1-CE2 3.4Å; H149-Y286 WeakPolarHBondContact ND1-CE2 3.49Å; H149-Y286 AromaticContact ND1-CZ 3.53Å; H149-Y286 PolarHBondContact ND1-OH 3.17Å; H149-R290 VanDerWaalsContact CB-NH1 3.35Å; H149-R290 VanDerWaalsContact O-CZ 3.29Å; H149-R290 PolarHBondContact O-NE 3.12Å; H149-R290 PolarHBondContact O-NH2 3.42Å |
| 150 | S | 95.1 | Very high | 93.2 | Very high | 63 Ų | 63 | 46.9 Ų | 46.9 | 44% | 0.441 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -4.5 | 173.8 | -56.1 | 0 | 0 | 0 | 0 | 113.2 | A146 K147 L148 D152 R290 | A146-S150 WeakPolarHBondContact O-CB 3.43Å; A146-S150 PolarHBondContact O-N 3.39Å; A146-S150 PolarHBondContact O-OG 3.24Å; K147-S150 PolarHBondContact O-N 2.95Å; L148-S150 PolarHBondContact O-N 3.38Å; S150-D152 PolarHBondContact O-N 3.05Å; S150-R290 VanDerWaalsContact OG-CD 3.26Å; S150-R290 WeakPolarHBondContact OG-CD 3.49Å |
| 151 | L | 94.3 | Very high | 92.9 | Very high | 34 Ų | 34 | 46.8 Ų | 46.8 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -66.1 | 135 | 177.2 | -65.4 | 175.7 | 0 | 0 | 0 | 110.4 | L85 F90 K147 L148 L153 L156 | L85-L151 HydrophobicContact CD2-CD1 3.35Å; F90-L151 HydrophobicContact CB-CD1 4.16Å; F90-L151 HydrophobicContact CD2-CD1 4.15Å; F90-L151 HydrophobicContact CG-CD1 4.22Å; K147-L151 PolarHBondContact O-N 3.46Å; L148-L151 HydrophobicContact CD1-CD1 4.1Å; L148-L151 WeakPolarHBondContact O-CB 3.09Å; L148-L151 WeakPolarHBondContact O-CG 3.35Å; L148-L151 PolarHBondContact O-N 3.5Å; L151-L153 PolarHBondContact O-N 3.03Å; L151-L156 HydrophobicContact CB-CD1 4.09Å; L151-L156 HydrophobicContact CD1-CD1 4.22Å; L151-L156 HydrophobicContact CD1-CD2 4.49Å |
| 152 | D | 90.9 | Very high | 92.5 | Very high | 96 Ų | 96 | 47.9 Ų | 47.9 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | trans | -70.3 | 101.6 | 174 | 178.1 | 58.6 | 0 | 0 | 0 | 109.9 | S150 P154 S155 L156 | S150-D152 PolarHBondContact O-N 3.05Å; D152-P154 WeakPolarHBondContact OD1-CD 3.38Å; D152-S155 WeakPolarHBondContact O-CB 3.33Å; D152-S155 PolarHBondContact O-N 2.92Å; D152-S155 PolarHBondContact O-OG 3.36Å; D152-S155 VanDerWaalsContact OD2-CB 3.22Å; D152-S155 WeakPolarHBondContact OD2-CB 3.45Å; D152-S155 PolarHBondContact OD2-N 2.97Å; D152-S155 PolarHBondContact OD2-OG 3.01Å; D152-L156 PolarHBondContact O-N 3.48Å | ||
| 153 | L | 89.6 | Confident | 92 | Very high | 37 Ų | 37 | 58 Ų | 58 | 19% | 0.194 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -55.8 | -42.1 | -175.2 | -179.1 | 66.4 | 0 | 0 | 0 | 113.6 | L151 S155 L156 V208 L210 T240 | L151-L153 PolarHBondContact O-N 3.03Å; L153-S155 VanDerWaalsContact C-N 3.32Å; L153-S155 PolarHBondContact O-N 3.37Å; L153-L156 HydrophobicContact CD1-CD1 4.49Å; L153-L156 PolarHBondContact O-N 2.75Å; L153-V208 HydrophobicContact CD2-CG1 4.03Å; L153-L210 HydrophobicContact CD1-CB 4.32Å; L153-T240 HydrophobicContact CD1-CG2 3.89Å; L153-T240 HydrophobicContact CD2-CG2 3.74Å; L153-T240 HydrophobicContact CG-CG2 4.45Å |
| 154 | P | 88.8 | Confident | 91.3 | Very high | 97 Ų | 97 | 54.9 Ų | 54.9 | 63% | 0.63 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -54.7 | -41 | 171.5 | -27.7 | 35.2 | 0 | 0 | 0 | 114.2 | D152 L156 | D152-P154 WeakPolarHBondContact OD1-CD 3.38Å; P154-L156 PolarHBondContact O-N 3.22Å |
| 155 | S | 90.4 | Very high | 90.8 | Very high | 74 Ų | 74 | 57.9 Ų | 57.9 | 52% | 0.517 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -66.8 | -21.7 | 179 | 74.5 | 0 | 0 | 0 | 0 | 114.5 | D152 L153 K157 | D152-S155 WeakPolarHBondContact O-CB 3.33Å; D152-S155 PolarHBondContact O-N 2.92Å; D152-S155 PolarHBondContact O-OG 3.36Å; D152-S155 VanDerWaalsContact OD2-CB 3.22Å; D152-S155 WeakPolarHBondContact OD2-CB 3.45Å; D152-S155 PolarHBondContact OD2-N 2.97Å; D152-S155 PolarHBondContact OD2-OG 3.01Å; L153-S155 VanDerWaalsContact C-N 3.32Å; L153-S155 PolarHBondContact O-N 3.37Å; S155-K157 VanDerWaalsContact C-N 3.29Å; S155-K157 PolarHBondContact O-N 3.1Å |
| 156 | L | 90.7 | Very high | 90.3 | Very high | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -76.7 | -7.3 | -175.6 | -64.7 | -179.7 | 0 | 0 | 0 | 114.3 | A84 A88 L151 D152 L153 P154 L158 L210 | A84-L156 HydrophobicContact CB-CB 4.39Å; A84-L156 WeakPolarHBondContact CB-O 2.94Å; A88-L156 HydrophobicContact CB-CD2 3.58Å; L151-L156 HydrophobicContact CB-CD1 4.09Å; L151-L156 HydrophobicContact CD1-CD1 4.22Å; L151-L156 HydrophobicContact CD1-CD2 4.49Å; D152-L156 PolarHBondContact O-N 3.48Å; L153-L156 HydrophobicContact CD1-CD1 4.49Å; L153-L156 PolarHBondContact O-N 2.75Å; P154-L156 PolarHBondContact O-N 3.22Å; L156-L158 HydrophobicContact CB-CB 4.49Å; L156-L158 HydrophobicContact CB-CD1 3.96Å; L156-L158 HydrophobicContact CB-CG 3.98Å; L156-L158 HydrophobicContact CD1-CD1 4.14Å; L156-L158 PolarHBondContact O-N 3.41Å; L156-L210 HydrophobicContact CD1-CD2 4.03Å |
| 157 | K | 87.9 | Confident | 90.1 | Very high | 158 Ų | 158 | 59.7 Ų | 59.7 | 69% | 0.687 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 38.4 | -177.5 | -56 | -179.7 | -178.9 | 178 | 0 | 113.2 | R80 S155 E159 | R80-K157 PolarHBondContact NH2-O 3.28Å; S155-K157 VanDerWaalsContact C-N 3.29Å; S155-K157 PolarHBondContact O-N 3.1Å; K157-E159 WeakPolarHBondContact CA-OE2 3.49Å |
| 158 | L | 89.4 | Confident | 89.9 | Confident | 11 Ų | 11 | 55.1 Ų | 55.1 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | trans | -101.3 | 37.6 | 178.8 | -69 | 178.6 | 0 | 0 | 0 | 111.7 | R80 V81 A84 L156 G160 F161 L210 | R80-L158 HydrophobicContact CG-CD2 4.01Å; V81-L158 HydrophobicContact CG2-CD1 4.1Å; A84-L158 HydrophobicContact CB-CD1 4.21Å; A84-L158 HydrophobicContact CB-CD2 3.96Å; A84-L158 HydrophobicContact CB-CG 4.03Å; L156-L158 HydrophobicContact CB-CB 4.49Å; L156-L158 HydrophobicContact CB-CD1 3.96Å; L156-L158 HydrophobicContact CB-CG 3.98Å; L156-L158 HydrophobicContact CD1-CD1 4.14Å; L156-L158 PolarHBondContact O-N 3.41Å; L158-G160 PolarHBondContact O-N 3.39Å; L158-F161 HydrophobicContact CB-CB 3.88Å; L158-F161 HydrophobicContact CB-CG 4.39Å; L158-F161 HydrophobicContact CD2-CD2 4.2Å; L158-F161 HydrophobicContact CD2-CG 4.46Å; L158-F161 WeakPolarHBondContact O-CB 3.25Å; L158-F161 PolarHBondContact O-N 3.42Å; L158-L210 HydrophobicContact CD1-CD1 4.2Å; L158-L210 HydrophobicContact CD1-CD2 4.21Å | ||
| 159 | E | 83.8 | Confident | 89.6 | Confident | 127 Ų | 127 | 61.7 Ų | 61.7 | 59% | 0.593 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 133.9 | 176.8 | -57.8 | 82.1 | 179.4 | 0 | 0 | 110.4 | R80 K157 F161 | R80-E159 PolarHBondContact NH1-O 3.04Å; R80-E159 PolarHBondContact NH2-O 3.31Å; R80-E159 IonicContact NH2-OE2 3.18Å; K157-E159 WeakPolarHBondContact CA-OE2 3.49Å; E159-F161 PolarHBondContact O-N 3.03Å |
| 160 | G | 84.6 | Confident | 89.5 | Confident | 78 Ų | 78 | 64.4 Ų | 64.4 | 80% | 0.804 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 5.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L158 G162 | L158-G160 PolarHBondContact O-N 3.39Å; G160-G162 VanDerWaalsContact C-N 3.3Å; G160-G162 PolarHBondContact O-N 3.37Å |
| 161 | F | 89.8 | Confident | 89.3 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 4% | 0.035 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -67.6 | -29.3 | -178.6 | -171.8 | -99.9 | 0 | 0 | 0 | 113.5 | R77 V81 L158 E159 L210 S238 T240 | R77-F161 HydrophobicContact CG-CD2 3.91Å; R77-F161 HydrophobicContact CG-CE2 3.24Å; R77-F161 HydrophobicContact CG-CZ 3.92Å; R77-F161 PolarHBondContact NE-O 3.43Å; R77-F161 PolarHBondContact NH2-O 3.49Å; V81-F161 HydrophobicContact CB-CE1 4.46Å; V81-F161 HydrophobicContact CB-CE2 3.8Å; V81-F161 HydrophobicContact CB-CZ 3.65Å; V81-F161 HydrophobicContact CG1-CE2 4.39Å; V81-F161 HydrophobicContact CG1-CZ 4.06Å; V81-F161 HydrophobicContact CG2-CE1 4.31Å; V81-F161 HydrophobicContact CG2-CE2 4.47Å; V81-F161 HydrophobicContact CG2-CZ 3.96Å; L158-F161 HydrophobicContact CB-CB 3.88Å; L158-F161 HydrophobicContact CB-CG 4.39Å; L158-F161 HydrophobicContact CD2-CD2 4.2Å; L158-F161 HydrophobicContact CD2-CG 4.46Å; L158-F161 WeakPolarHBondContact O-CB 3.25Å; L158-F161 PolarHBondContact O-N 3.42Å; E159-F161 PolarHBondContact O-N 3.03Å; F161-L210 HydrophobicContact CD1-CD1 4.1Å; F161-L210 HydrophobicContact CE1-CD1 3.84Å; F161-S238 WeakPolarHBondContact CZ-OG 3.36Å; F161-T240 HydrophobicContact CD1-CG2 4.37Å |
| 162 | G | 88.3 | Confident | 89.4 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 25% | 0.247 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -141 | -174.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G160 T240 | G160-G162 VanDerWaalsContact C-N 3.3Å; G160-G162 PolarHBondContact O-N 3.37Å; G162-T240 VanDerWaalsContact CA-OG1 3.28Å; G162-T240 WeakPolarHBondContact CA-OG1 3.22Å |
| 163 | R | 86.9 | Confident | 89.5 | Confident | 211 Ų | 211 | 58.9 Ų | 58.9 | 80% | 0.796 | 32% | 0.322 | S | S | * | . | trans | -105 | 7.3 | -171.5 | -63.8 | -173.3 | -176.3 | -177.1 | 1.7 | 114.6 | ||||
| 164 | G | 83.1 | Confident | 89.6 | Confident | 15 Ų | 15 | 60.1 Ų | 60.1 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | trans | 74.7 | -149.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R170 | G164-R170 PolarHBondContact O-NH2 3.47Š| ||
| 165 | P | 86.5 | Confident | 89.8 | Confident | 75 Ų | 75 | 56.4 Ų | 56.4 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -56.3 | 158.9 | -176.7 | -27.8 | 36.8 | 0 | 0 | 0 | 114.3 | R170 V208 | P165-R170 PolarHBondContact O-NH1 3.07Å; P165-V208 HydrophobicContact CG-CG2 4.05Å |
| 166 | G | 88.6 | Confident | 89.9 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 25% | 0.247 | 29% | 0.29 | C | S | . | . | trans | 82 | 29.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R170 D205 | G166-R170 WeakPolarHBondContact O-CG 3.42Å; G166-R170 PolarHBondContact O-N 2.92Å; G166-R170 PolarHBondContact O-NH1 3.07Å; G166-D205 WeakPolarHBondContact CA-OD2 3.31Å; G166-D205 PolarHBondContact N-O 2.91Å | ||
| 167 | Y | 91.9 | Very high | 90 | Very high | 13 Ų | 13 | 61.6 Ų | 61.6 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.3 | -48.3 | -178.9 | 172.1 | -92.6 | 0 | 0 | 0 | 112.7 | R169 R170 Q171 D205 V211 T239 A245 | Y167-R169 PolarHBondContact O-N 3.49Å; Y167-R170 PolarHBondContact O-N 3.18Å; Y167-Q171 HydrophobicContact CD1-CG 3.96Å; Y167-Q171 HydrophobicContact CD2-CG 4.25Å; Y167-Q171 HydrophobicContact CE1-CG 3.45Å; Y167-Q171 VanDerWaalsContact CE1-CG 3.45Å; Y167-Q171 HydrophobicContact CE2-CG 3.8Å; Y167-Q171 HydrophobicContact CG-CG 4.33Å; Y167-Q171 WeakPolarHBondContact O-CG 3.43Å; Y167-Q171 PolarHBondContact O-N 3.08Å; Y167-D205 PolarHBondContact N-OD1 2.8Å; Y167-D205 PolarHBondContact N-OD2 3.49Å; Y167-V211 HydrophobicContact CE2-CG2 4.09Å; Y167-T239 HydrophobicContact CD2-CG2 4.32Å; Y167-T239 HydrophobicContact CE2-CG2 3.68Å; Y167-A245 HydrophobicContact CE1-CB 3.57Å |
| 168 | C | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -47.8 | -176.3 | -65 | 0 | 0 | 0 | 0 | 111.4 | R170 Q171 V172 L201 D205 F302 Y303 | C168-R170 VanDerWaalsContact C-N 3.28Å; C168-R170 PolarHBondContact O-N 3.36Å; C168-Q171 PolarHBondContact O-N 3.44Å; C168-Q171 VanDerWaalsContact O-N 3.15Å; C168-V172 WeakPolarHBondContact O-CG2 3.46Å; C168-V172 PolarHBondContact O-N 3.18Å; C168-L201 HydrophobicContact CB-CD2 4.24Å; C168-D205 WeakPolarHBondContact CB-OD2 3.41Å; C168-D205 PolarHBondContact N-OD1 2.95Å; C168-D205 PolarHBondContact N-OD2 3.44Å; C168-D205 PolarHBondContact SG-OD1 2.81Å; C168-F302 HydrophobicContact CB-CE1 3.74Å; C168-F302 HydrophobicContact CB-CZ 4.01Å; C168-Y303 VanDerWaalsContact SG-CE1 3.57Å |
| 169 | R | 92.9 | Very high | 90.2 | Very high | 138 Ų | 138 | 58.3 Ų | 58.3 | 52% | 0.521 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.2 | -41.8 | 177.1 | -175.7 | -179.2 | -68.1 | -82.8 | 2.6 | 111.9 | Y167 S173 L201 | Y167-R169 PolarHBondContact O-N 3.49Å; R169-S173 WeakPolarHBondContact O-CB 3.38Å; R169-S173 PolarHBondContact O-N 3.5Å; R169-S173 PolarHBondContact O-OG 2.95Å; R169-L201 HydrophobicContact CB-CD1 3.87Å; R169-L201 HydrophobicContact CB-CD2 4.21Å; R169-L201 HydrophobicContact CG-CD1 3.93Å; R169-L201 VanDerWaalsContact NH2-CD1 3.31Å |
| 170 | R | 92.4 | Very high | 90.5 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 176.9 | -72.7 | -169.2 | -55 | -92.5 | 0.7 | 111.9 | G164 P165 G166 Y167 C168 S173 T174 | G164-R170 PolarHBondContact O-NH2 3.47Å; P165-R170 PolarHBondContact O-NH1 3.07Å; G166-R170 WeakPolarHBondContact O-CG 3.42Å; G166-R170 PolarHBondContact O-N 2.92Å; G166-R170 PolarHBondContact O-NH1 3.07Å; Y167-R170 PolarHBondContact O-N 3.18Å; C168-R170 VanDerWaalsContact C-N 3.28Å; C168-R170 PolarHBondContact O-N 3.36Å; R170-S173 PolarHBondContact O-N 2.87Å; R170-T174 WeakPolarHBondContact O-CB 3.49Å; R170-T174 PolarHBondContact O-N 3.11Å; R170-T174 PolarHBondContact O-OG1 3.44Å; R170-T174 VanDerWaalsContact O-OG1 3.04Å |
| 171 | Q | 92.8 | Very high | 90.7 | Very high | 37 Ų | 37 | 57.3 Ų | 57.3 | 17% | 0.173 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.5 | -51 | 177.3 | -73 | -57.2 | -51.9 | 0 | 0 | 110.7 | Y167 C168 S173 T174 W175 L306 | Y167-Q171 HydrophobicContact CD1-CG 3.96Å; Y167-Q171 HydrophobicContact CD2-CG 4.25Å; Y167-Q171 HydrophobicContact CE1-CG 3.45Å; Y167-Q171 VanDerWaalsContact CE1-CG 3.45Å; Y167-Q171 HydrophobicContact CE2-CG 3.8Å; Y167-Q171 HydrophobicContact CG-CG 4.33Å; Y167-Q171 WeakPolarHBondContact O-CG 3.43Å; Y167-Q171 PolarHBondContact O-N 3.08Å; C168-Q171 PolarHBondContact O-N 3.44Å; C168-Q171 VanDerWaalsContact O-N 3.15Å; Q171-S173 VanDerWaalsContact C-N 3.34Å; Q171-S173 PolarHBondContact O-N 2.9Å; Q171-T174 PolarHBondContact O-N 3.01Å; Q171-W175 PolarHBondContact O-N 3.42Å; Q171-L306 HydrophobicContact CB-CD1 4.27Å; Q171-L306 HydrophobicContact CB-CD2 4Å |
| 172 | V | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.2 | -50.3 | 177.9 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | C168 T174 W175 T176 L197 M198 L201 F302 L306 | C168-V172 WeakPolarHBondContact O-CG2 3.46Å; C168-V172 PolarHBondContact O-N 3.18Å; V172-T174 PolarHBondContact O-N 3.29Å; V172-W175 PolarHBondContact O-N 2.9Å; V172-T176 WeakPolarHBondContact O-CB 3.39Å; V172-T176 PolarHBondContact O-N 2.77Å; V172-T176 PolarHBondContact O-OG1 3.09Å; V172-L197 HydrophobicContact CG1-CB 3.75Å; V172-L197 HydrophobicContact CG2-CB 3.86Å; V172-M198 HydrophobicContact CB-SD 3.88Å; V172-M198 HydrophobicContact CG1-CG 3.54Å; V172-M198 HydrophobicContact CG1-SD 3.51Å; V172-M198 VanDerWaalsContact CG1-SD 3.51Å; V172-L201 HydrophobicContact CG2-CD2 4.22Å; V172-F302 HydrophobicContact CG2-CE2 4.48Å; V172-F302 HydrophobicContact CG2-CZ 3.99Å; V172-L306 HydrophobicContact CG2-CD1 3.86Å |
| 173 | S | 94.3 | Very high | 90.7 | Very high | 40 Ų | 40 | 58.6 Ų | 58.6 | 28% | 0.28 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | -179.8 | -59.4 | 0 | 0 | 0 | 0 | 113.4 | R169 R170 Q171 K177 | R169-S173 WeakPolarHBondContact O-CB 3.38Å; R169-S173 PolarHBondContact O-N 3.5Å; R169-S173 PolarHBondContact O-OG 2.95Å; R170-S173 PolarHBondContact O-N 2.87Å; Q171-S173 VanDerWaalsContact C-N 3.34Å; Q171-S173 PolarHBondContact O-N 2.9Å; S173-K177 VanDerWaalsContact O-CG 3.3Å; S173-K177 WeakPolarHBondContact O-CG 3.24Å; S173-K177 PolarHBondContact O-N 3.28Å; S173-K177 VanDerWaalsContact O-N 3.12Å |
| 174 | T | 91.1 | Very high | 90.7 | Very high | 62 Ų | 62 | 52.6 Ų | 52.6 | 38% | 0.38 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.2 | -48.8 | 179.2 | -68.6 | 0 | 0 | 0 | 0 | 111 | R170 Q171 V172 K177 Q178 | R170-T174 WeakPolarHBondContact O-CB 3.49Å; R170-T174 PolarHBondContact O-N 3.11Å; R170-T174 PolarHBondContact O-OG1 3.44Å; R170-T174 VanDerWaalsContact O-OG1 3.04Å; Q171-T174 PolarHBondContact O-N 3.01Å; V172-T174 PolarHBondContact O-N 3.29Å; T174-K177 PolarHBondContact O-N 3.01Å; T174-Q178 WeakPolarHBondContact O-CG 3.37Å; T174-Q178 PolarHBondContact O-N 3.12Å |
| 175 | W | 92.4 | Very high | 91.1 | Very high | 20 Ų | 20 | 57.9 Ų | 57.9 | 8% | 0.076 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.8 | -35 | -178.8 | -69.1 | 114.2 | 0 | 0 | 0 | 112.2 | Q171 V172 Q178 Y179 F309 K310 A313 I314 | Q171-W175 PolarHBondContact O-N 3.42Å; V172-W175 PolarHBondContact O-N 2.9Å; W175-Q178 PolarHBondContact O-N 3.05Å; W175-Y179 WeakPolarHBondContact O-CB 3.33Å; W175-Y179 PolarHBondContact O-N 3.36Å; W175-F309 HydrophobicContact CB-CD1 3.9Å; W175-F309 HydrophobicContact CB-CE1 3.46Å; W175-F309 VanDerWaalsContact CB-CE1 3.46Å; W175-F309 HydrophobicContact CB-CZ 4.15Å; W175-K310 HydrophobicContact CD2-CB 4.07Å; W175-K310 HydrophobicContact CD2-CG 3.93Å; W175-K310 HydrophobicContact CE3-CG 4.18Å; W175-K310 HydrophobicContact CG-CB 4.35Å; W175-K310 HydrophobicContact CH2-CD 4.1Å; W175-K310 HydrophobicContact CH2-CG 3.78Å; W175-K310 HydrophobicContact CZ2-CB 4.45Å; W175-K310 HydrophobicContact CZ2-CD 3.44Å; W175-K310 VanDerWaalsContact CZ2-CD 3.44Å; W175-K310 HydrophobicContact CZ2-CG 3.51Å; W175-K310 HydrophobicContact CZ3-CG 4.09Å; W175-A313 HydrophobicContact CE3-CB 3.79Å; W175-A313 HydrophobicContact CZ3-CB 4.5Å; W175-I314 HydrophobicContact CH2-CD1 4.02Å; W175-I314 HydrophobicContact CH2-CG1 3.97Å; W175-I314 HydrophobicContact CZ3-CD1 4.17Å; W175-I314 HydrophobicContact CZ3-CG1 3.64Å |
| 176 | T | 94.2 | Very high | 91.4 | Very high | 35 Ų | 35 | 59.8 Ų | 59.8 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 170.3 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | V172 Q178 Y179 T180 C194 | V172-T176 WeakPolarHBondContact O-CB 3.39Å; V172-T176 PolarHBondContact O-N 2.77Å; V172-T176 PolarHBondContact O-OG1 3.09Å; T176-Q178 VanDerWaalsContact C-N 3.34Å; T176-Q178 PolarHBondContact O-N 2.81Å; T176-Y179 PolarHBondContact O-N 2.86Å; T176-T180 WeakPolarHBondContact O-CB 3.43Å; T176-T180 PolarHBondContact O-N 3Å; T176-T180 PolarHBondContact O-OG1 2.83Å; T176-C194 HydrophobicContact CG2-CB 4.41Å |
| 177 | K | 92.1 | Very high | 91.6 | Very high | 156 Ų | 156 | 58.7 Ų | 58.7 | 68% | 0.678 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.9 | -43 | 177.2 | -74.7 | 175.1 | -178 | -176.9 | 0 | 112.4 | S173 T174 A181 | S173-K177 VanDerWaalsContact O-CG 3.3Å; S173-K177 WeakPolarHBondContact O-CG 3.24Å; S173-K177 PolarHBondContact O-N 3.28Å; S173-K177 VanDerWaalsContact O-N 3.12Å; T174-K177 PolarHBondContact O-N 3.01Å; K177-A181 VanDerWaalsContact O-CB 3.31Å; K177-A181 WeakPolarHBondContact O-CB 3.23Å; K177-A181 PolarHBondContact O-N 2.8Å |
| 178 | Q | 87.9 | Confident | 91.8 | Very high | 94 Ų | 94 | 62.2 Ų | 62.2 | 44% | 0.439 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 178.6 | -74 | -173.9 | -6.3 | 0 | 0 | 112.4 | T174 W175 T176 S182 | T174-Q178 WeakPolarHBondContact O-CG 3.37Å; T174-Q178 PolarHBondContact O-N 3.12Å; W175-Q178 PolarHBondContact O-N 3.05Å; T176-Q178 VanDerWaalsContact C-N 3.34Å; T176-Q178 PolarHBondContact O-N 2.81Å; Q178-S182 PolarHBondContact O-N 2.94Å; Q178-S182 PolarHBondContact O-OG 3.35Å |
| 179 | Y | 92.7 | Very high | 91.7 | Very high | 6 Ų | 6 | 62.7 Ų | 62.7 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.6 | -52.6 | 173.9 | 173.8 | -97.2 | 0 | 0 | 0 | 110.8 | W175 T176 A181 S182 A183 V190 Q316 V339 | W175-Y179 WeakPolarHBondContact O-CB 3.33Å; W175-Y179 PolarHBondContact O-N 3.36Å; T176-Y179 PolarHBondContact O-N 2.86Å; Y179-A181 VanDerWaalsContact C-N 3.29Å; Y179-A181 PolarHBondContact O-N 2.78Å; Y179-S182 CarbonylContact O-C 3.5Å; Y179-S182 PolarHBondContact O-N 3.42Å; Y179-S182 PolarHBondContact O-OG 3.26Å; Y179-S182 VanDerWaalsContact O-OG 3.12Å; Y179-A183 HydrophobicContact CE1-CB 4.13Å; Y179-A183 WeakPolarHBondContact O-CB 3.37Å; Y179-A183 PolarHBondContact O-N 2.65Å; Y179-V190 HydrophobicContact CD1-CG1 3.6Å; Y179-V190 HydrophobicContact CD2-CG1 3.96Å; Y179-V190 HydrophobicContact CE1-CB 3.94Å; Y179-V190 HydrophobicContact CE1-CG1 3.34Å; Y179-V190 HydrophobicContact CE2-CB 4.23Å; Y179-V190 HydrophobicContact CE2-CG1 3.73Å; Y179-V190 HydrophobicContact CE2-CG2 3.98Å; Y179-V190 HydrophobicContact CG-CG1 3.9Å; Y179-V190 VanDerWaalsContact CZ-CG1 3.42Å; Y179-Q316 HydrophobicContact CD2-CB 3.9Å; Y179-Q316 HydrophobicContact CD2-CG 3.8Å; Y179-Q316 HydrophobicContact CE2-CB 4.06Å; Y179-Q316 HydrophobicContact CE2-CG 3.75Å; Y179-V339 HydrophobicContact CE2-CG1 3.84Å |
| 180 | T | 91.5 | Very high | 91.8 | Very high | 93 Ų | 93 | 56.1 Ų | 56.1 | 57% | 0.571 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58.2 | -40.6 | -179.2 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | T176 S182 A183 | T176-T180 WeakPolarHBondContact O-CB 3.43Å; T176-T180 PolarHBondContact O-N 3Å; T176-T180 PolarHBondContact O-OG1 2.83Å; T180-S182 PolarHBondContact O-N 3.16Å; T180-A183 PolarHBondContact O-N 3.4Å |
| 181 | A | 87.9 | Confident | 91.9 | Very high | 92 Ų | 92 | 56.5 Ų | 56.5 | 76% | 0.76 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.7 | -22.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K177 Y179 | K177-A181 VanDerWaalsContact O-CB 3.31Å; K177-A181 WeakPolarHBondContact O-CB 3.23Å; K177-A181 PolarHBondContact O-N 2.8Å; Y179-A181 VanDerWaalsContact C-N 3.29Å; Y179-A181 PolarHBondContact O-N 2.78Å |
| 182 | S | 88.9 | Confident | 92 | Very high | 18 Ų | 18 | 58.9 Ų | 58.9 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -109.2 | -3.7 | -179.1 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | Q178 Y179 T180 Q316 | Q178-S182 PolarHBondContact O-N 2.94Å; Q178-S182 PolarHBondContact O-OG 3.35Å; Y179-S182 CarbonylContact O-C 3.5Å; Y179-S182 PolarHBondContact O-N 3.42Å; Y179-S182 PolarHBondContact O-OG 3.26Å; Y179-S182 VanDerWaalsContact O-OG 3.12Å; T180-S182 PolarHBondContact O-N 3.16Å; S182-Q316 PolarHBondContact O-NE2 2.93Å; S182-Q316 WeakPolarHBondContact OG-CG 3.34Å |
| 183 | A | 89.3 | Confident | 92 | Very high | 40 Ų | 40 | 58.9 Ų | 58.9 | 33% | 0.331 | 32% | 0.324 | S | S | . | . | trans | -69.9 | 130.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y179 T180 | Y179-A183 HydrophobicContact CE1-CB 4.13Å; Y179-A183 WeakPolarHBondContact O-CB 3.37Å; Y179-A183 PolarHBondContact O-N 2.65Å; T180-A183 PolarHBondContact O-N 3.4Å | ||
| 184 | H | 87.7 | Confident | 92 | Very high | 86 Ų | 86 | 57.5 Ų | 57.5 | 40% | 0.398 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -115.2 | -10.9 | 179.5 | 62.4 | -73.1 | 0 | 0 | 0 | 112.1 | Q316 Y319 L323 | H184-Q316 PolarHBondContact CE1-NE2 2.9Å; H184-Q316 PolarHBondContact ND1-NE2 2.7Å; H184-Y319 AromaticContact CE1-CD1 3.51Å; H184-Y319 AromaticContact CE1-CE1 3.4Å; H184-Y319 VanDerWaalsContact CE1-CE1 3.4Å; H184-Y319 WeakPolarHBondContact CE1-CE1 3.49Å; H184-Y319 AromaticContact ND1-CD1 3.94Å; H184-Y319 AromaticContact NE2-CE1 3.45Å; H184-Y319 WeakPolarHBondContact NE2-CE1 3.46Å; H184-L323 HydrophobicContact CB-CD1 4.14Å |
| 185 | R | 90.8 | Very high | 92.1 | Very high | 126 Ų | 126 | 58.3 Ų | 58.3 | 48% | 0.475 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -147.1 | 157.6 | 174.4 | 70.6 | -179.2 | -173.6 | 139.5 | 7.8 | 108.8 | I187 E340 | R185-I187 HydrophobicContact CG-CG1 4.11Å; R185-E340 IonicContact NH2-OE2 2.96Å; R185-E340 PolarHBondContact NH2-OE2 3.46Å |
| 186 | D | 91.8 | Very high | 92.3 | Very high | 114 Ų | 114 | 59.6 Ų | 59.6 | 61% | 0.61 | 32% | 0.32 | S | S | * | . | trans | -74.8 | 135.1 | 172.2 | -171.3 | 36.5 | 0 | 0 | 0 | 111.1 | N191 | D186-N191 PolarHBondContact OD1-ND2 2.63Š| ||
| 187 | I | 94.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | trans | -128.6 | 99 | 175.7 | -57.3 | 178.9 | 0 | 0 | 0 | 107.1 | R185 A189 V190 N191 V339 E340 | R185-I187 HydrophobicContact CG-CG1 4.11Å; I187-A189 HydrophobicContact CG2-CB 4.44Å; I187-A189 PolarHBondContact O-N 3.03Å; I187-A189 VanDerWaalsContact O-N 3.11Å; I187-V190 HydrophobicContact CB-CB 4.37Å; I187-V190 HydrophobicContact CB-CG2 3.95Å; I187-V190 HydrophobicContact CG2-CB 4.45Å; I187-V190 HydrophobicContact CG2-CG2 3.74Å; I187-V190 PolarHBondContact O-N 3.47Å; I187-N191 PolarHBondContact O-N 2.98Å; I187-V339 HydrophobicContact CD1-CB 4.16Å; I187-V339 HydrophobicContact CD1-CG1 3.69Å; I187-E340 HydrophobicContact CG2-CB 3.79Å; I187-E340 HydrophobicContact CG2-CG 3.84Å | ||
| 188 | P | 94.4 | Very high | 92.4 | Very high | 86 Ų | 86 | 54 Ų | 54 | 56% | 0.558 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -53.4 | -37.7 | -174.1 | -31 | 36.1 | 0 | 0 | 0 | 114.1 | V190 N191 E192 | P188-V190 VanDerWaalsContact C-N 3.29Å; P188-V190 PolarHBondContact O-N 2.88Å; P188-N191 PolarHBondContact O-N 3.38Å; P188-E192 WeakPolarHBondContact O-CB 3.36Å; P188-E192 PolarHBondContact O-N 3.16Å |
| 189 | A | 92.4 | Very high | 92.6 | Very high | 10 Ų | 10 | 58.2 Ų | 58.2 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.8 | -33.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I187 L193 A343 K344 L347 | I187-A189 HydrophobicContact CG2-CB 4.44Å; I187-A189 PolarHBondContact O-N 3.03Å; I187-A189 VanDerWaalsContact O-N 3.11Å; A189-L193 VanDerWaalsContact O-CB 3.27Å; A189-L193 WeakPolarHBondContact O-CB 3.5Å; A189-L193 PolarHBondContact O-N 3.12Å; A189-L193 VanDerWaalsContact O-N 3.08Å; A189-A343 HydrophobicContact CB-CB 3.99Å; A189-K344 HydrophobicContact CB-CG 3.88Å; A189-L347 HydrophobicContact CB-CD1 4.18Å; A189-L347 WeakPolarHBondContact O-CD1 3.25Å |
| 190 | V | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -74.8 | -40.5 | 178.5 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | Y179 I187 P188 L193 C194 F309 V339 A343 | Y179-V190 HydrophobicContact CD1-CG1 3.6Å; Y179-V190 HydrophobicContact CD2-CG1 3.96Å; Y179-V190 HydrophobicContact CE1-CB 3.94Å; Y179-V190 HydrophobicContact CE1-CG1 3.34Å; Y179-V190 HydrophobicContact CE2-CB 4.23Å; Y179-V190 HydrophobicContact CE2-CG1 3.73Å; Y179-V190 HydrophobicContact CE2-CG2 3.98Å; Y179-V190 HydrophobicContact CG-CG1 3.9Å; Y179-V190 VanDerWaalsContact CZ-CG1 3.42Å; I187-V190 HydrophobicContact CB-CB 4.37Å; I187-V190 HydrophobicContact CB-CG2 3.95Å; I187-V190 HydrophobicContact CG2-CB 4.45Å; I187-V190 HydrophobicContact CG2-CG2 3.74Å; I187-V190 PolarHBondContact O-N 3.47Å; P188-V190 VanDerWaalsContact C-N 3.29Å; P188-V190 PolarHBondContact O-N 2.88Å; V190-L193 PolarHBondContact O-N 2.84Å; V190-C194 PolarHBondContact O-N 3.23Å; V190-C194 PolarHBondContact O-SG 3.05Å; V190-F309 HydrophobicContact CG1-CE2 3.9Å; V190-V339 HydrophobicContact CG2-CG1 4.11Å; V190-A343 HydrophobicContact CB-CB 4.37Å; V190-A343 HydrophobicContact CG2-CB 3.55Å |
| 191 | N | 93.8 | Very high | 92.6 | Very high | 69 Ų | 69 | 58.4 Ų | 58.4 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 176.3 | -61 | -24.9 | 0 | 0 | 0 | 110.9 | D186 I187 P188 L193 C194 D195 | D186-N191 PolarHBondContact OD1-ND2 2.63Å; I187-N191 PolarHBondContact O-N 2.98Å; P188-N191 PolarHBondContact O-N 3.38Å; N191-L193 VanDerWaalsContact C-N 3.3Å; N191-L193 PolarHBondContact O-N 3.15Å; N191-C194 PolarHBondContact O-N 3.24Å; N191-D195 PolarHBondContact O-N 3.49Å |
| 192 | E | 95.1 | Very high | 92.5 | Very high | 88 Ų | 88 | 55.3 Ų | 55.3 | 41% | 0.411 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 177.1 | -174 | -179 | -170.3 | 0 | 0 | 111.9 | P188 D195 W196 L347 K351 | P188-E192 WeakPolarHBondContact O-CB 3.36Å; P188-E192 PolarHBondContact O-N 3.16Å; E192-D195 PolarHBondContact O-N 3.29Å; E192-W196 WeakPolarHBondContact O-CB 3.3Å; E192-W196 PolarHBondContact O-N 3.38Å; E192-L347 HydrophobicContact CB-CD1 4.11Å; E192-L347 HydrophobicContact CB-CD2 4.4Å; E192-L347 HydrophobicContact CG-CD1 4.19Å; E192-L347 HydrophobicContact CG-CD2 3.92Å; E192-L347 WeakPolarHBondContact OE2-CD1 3.36Å; E192-K351 WeakPolarHBondContact OE1-CE 3.49Å; E192-K351 IonicContact OE1-NZ 3.83Å; E192-K351 PolarHBondContact OE1-NZ 2.93Å; E192-K351 IonicContact OE2-NZ 3.52Å |
| 193 | L | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66 | -43.1 | 177 | -179.4 | 60.6 | 0 | 0 | 0 | 112.4 | A189 V190 N191 D195 W196 L197 A305 F309 A343 A346 L347 | A189-L193 VanDerWaalsContact O-CB 3.27Å; A189-L193 WeakPolarHBondContact O-CB 3.5Å; A189-L193 PolarHBondContact O-N 3.12Å; A189-L193 VanDerWaalsContact O-N 3.08Å; V190-L193 PolarHBondContact O-N 2.84Å; N191-L193 VanDerWaalsContact C-N 3.3Å; N191-L193 PolarHBondContact O-N 3.15Å; L193-D195 VanDerWaalsContact C-N 3.33Å; L193-D195 PolarHBondContact O-N 3.28Å; L193-W196 PolarHBondContact O-N 3.4Å; L193-L197 HydrophobicContact CD1-CD1 4.12Å; L193-L197 HydrophobicContact CD1-CG 4.16Å; L193-L197 HydrophobicContact CG-CD1 4.03Å; L193-L197 HydrophobicContact CG-CG 4.5Å; L193-L197 WeakPolarHBondContact O-CB 3.29Å; L193-L197 WeakPolarHBondContact O-CG 3.43Å; L193-L197 PolarHBondContact O-N 2.95Å; L193-A305 HydrophobicContact CD1-CB 4.38Å; L193-F309 HydrophobicContact CD2-CB 3.74Å; L193-F309 HydrophobicContact CD2-CD2 3.84Å; L193-F309 HydrophobicContact CD2-CG 4.1Å; L193-F309 HydrophobicContact CG-CB 4.31Å; L193-F309 HydrophobicContact CG-CD2 4.36Å; L193-F309 HydrophobicContact CG-CG 4.47Å; L193-A343 HydrophobicContact CD2-CB 4.25Å; L193-A346 HydrophobicContact CD1-CB 3.69Å; L193-A346 HydrophobicContact CD2-CB 3.44Å; L193-A346 VanDerWaalsContact CD2-CB 3.44Å; L193-A346 HydrophobicContact CG-CB 4.22Å; L193-L347 HydrophobicContact CB-CD2 4.09Å; L193-L347 HydrophobicContact CB-CG 4.04Å; L193-L347 HydrophobicContact CD1-CD2 4.18Å; L193-L347 HydrophobicContact CD1-CG 4.23Å |
| 194 | C | 94.8 | Very high | 91.2 | Very high | 11 Ų | 11 | 69.1 Ų | 69.1 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 176.1 | -69.5 | 0 | 0 | 0 | 0 | 111 | T176 V190 N191 L197 M198 F309 | T176-C194 HydrophobicContact CG2-CB 4.41Å; V190-C194 PolarHBondContact O-N 3.23Å; V190-C194 PolarHBondContact O-SG 3.05Å; N191-C194 PolarHBondContact O-N 3.24Å; C194-L197 PolarHBondContact O-N 3.45Å; C194-M198 PolarHBondContact O-N 3.43Å; C194-F309 WeakPolarHBondContact SG-CE2 3.41Å; C194-F309 WeakPolarHBondContact SG-CZ 3.29Å |
| 195 | D | 93.6 | Very high | 90.7 | Very high | 79 Ų | 79 | 65.9 Ų | 65.9 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 176.4 | -93.2 | 16.4 | 0 | 0 | 0 | 111.9 | N191 E192 L193 M198 R199 | N191-D195 PolarHBondContact O-N 3.49Å; E192-D195 PolarHBondContact O-N 3.29Å; L193-D195 VanDerWaalsContact C-N 3.33Å; L193-D195 PolarHBondContact O-N 3.28Å; D195-M198 PolarHBondContact O-N 2.98Å; D195-R199 WeakPolarHBondContact O-CB 3.45Å; D195-R199 WeakPolarHBondContact O-CG 3.49Å; D195-R199 PolarHBondContact O-N 3.37Å; D195-R199 IonicContact OD2-CZ 2.68Å; D195-R199 IonicContact OD2-NH1 2.65Å; D195-R199 IonicContact OD2-NH2 2.68Å; D195-R199 PolarHBondContact OD2-NH2 3.27Å |
| 196 | W | 94.9 | Very high | 90 | Very high | 46 Ų | 46 | 65.4 Ų | 65.4 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 179.2 | -173.5 | 94.7 | 0 | 0 | 0 | 111.3 | E192 L193 M198 R199 N200 F302 A305 A350 | E192-W196 WeakPolarHBondContact O-CB 3.3Å; E192-W196 PolarHBondContact O-N 3.38Å; L193-W196 PolarHBondContact O-N 3.4Å; W196-M198 VanDerWaalsContact C-N 3.34Å; W196-M198 PolarHBondContact O-N 2.89Å; W196-R199 PolarHBondContact O-N 2.85Å; W196-N200 HydrophobicContact CD2-CB 4.26Å; W196-N200 HydrophobicContact CE3-CB 4.34Å; W196-N200 HydrophobicContact CH2-CB 4.02Å; W196-N200 HydrophobicContact CZ2-CB 3.93Å; W196-N200 HydrophobicContact CZ3-CB 4.22Å; W196-N200 PolarHBondContact NE1-ND2 3.02Å; W196-N200 WeakPolarHBondContact O-CB 3.4Å; W196-N200 PolarHBondContact O-N 3.2Å; W196-N200 PolarHBondContact O-ND2 3.27Å; W196-F302 HydrophobicContact CZ3-CD2 4.07Å; W196-A305 HydrophobicContact CZ3-CB 4.28Å; W196-A350 HydrophobicContact CD2-CB 3.7Å; W196-A350 HydrophobicContact CE3-CB 3.65Å; W196-A350 HydrophobicContact CG-CB 4.49Å; W196-A350 HydrophobicContact CH2-CB 3.64Å; W196-A350 HydrophobicContact CZ2-CB 3.68Å; W196-A350 WeakPolarHBondContact CZ2-O 3.47Å; W196-A350 HydrophobicContact CZ3-CB 3.62Å |
| 197 | L | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.6 | -41 | 178.8 | -74.2 | 170 | 0 | 0 | 0 | 111.8 | V172 L193 C194 R199 F302 A305 L306 F309 | V172-L197 HydrophobicContact CG1-CB 3.75Å; V172-L197 HydrophobicContact CG2-CB 3.86Å; L193-L197 HydrophobicContact CD1-CD1 4.12Å; L193-L197 HydrophobicContact CD1-CG 4.16Å; L193-L197 HydrophobicContact CG-CD1 4.03Å; L193-L197 HydrophobicContact CG-CG 4.5Å; L193-L197 WeakPolarHBondContact O-CB 3.29Å; L193-L197 WeakPolarHBondContact O-CG 3.43Å; L193-L197 PolarHBondContact O-N 2.95Å; C194-L197 PolarHBondContact O-N 3.45Å; L197-R199 VanDerWaalsContact C-N 3.34Å; L197-R199 PolarHBondContact O-N 3.22Å; L197-F302 HydrophobicContact CB-CE2 4.37Å; L197-F302 HydrophobicContact CD2-CD2 3.92Å; L197-F302 HydrophobicContact CD2-CE2 3.7Å; L197-F302 HydrophobicContact CD2-CZ 4.29Å; L197-F302 WeakPolarHBondContact O-CE2 3.44Å; L197-A305 HydrophobicContact CD2-CB 4.13Å; L197-L306 HydrophobicContact CD1-CD1 4.36Å; L197-L306 HydrophobicContact CD2-CB 4.15Å; L197-F309 HydrophobicContact CD1-CB 3.79Å; L197-F309 HydrophobicContact CD1-CD1 3.6Å; L197-F309 HydrophobicContact CD1-CE1 4.41Å; L197-F309 HydrophobicContact CD1-CG 3.82Å |
| 198 | M | 94.4 | Very high | 89.5 | Confident | 73 Ų | 73 | 65.8 Ų | 65.8 | 36% | 0.36 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.9 | -31.7 | 177.8 | -78.2 | -61.6 | -86.1 | 0 | 0 | 113.3 | V172 C194 D195 W196 | V172-M198 HydrophobicContact CB-SD 3.88Å; V172-M198 HydrophobicContact CG1-CG 3.54Å; V172-M198 HydrophobicContact CG1-SD 3.51Å; V172-M198 VanDerWaalsContact CG1-SD 3.51Å; C194-M198 PolarHBondContact O-N 3.43Å; D195-M198 PolarHBondContact O-N 2.98Å; W196-M198 VanDerWaalsContact C-N 3.34Å; W196-M198 PolarHBondContact O-N 2.89Å |
| 199 | R | 92.7 | Very high | 89.4 | Confident | 184 Ų | 184 | 62.3 Ų | 62.3 | 69% | 0.694 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -81.8 | -24.9 | 178.9 | -69.9 | 179.7 | -166.4 | 127.9 | 13.7 | 113.6 | D195 W196 L197 | D195-R199 WeakPolarHBondContact O-CB 3.45Å; D195-R199 WeakPolarHBondContact O-CG 3.49Å; D195-R199 PolarHBondContact O-N 3.37Å; D195-R199 IonicContact OD2-CZ 2.68Å; D195-R199 IonicContact OD2-NH1 2.65Å; D195-R199 IonicContact OD2-NH2 2.68Å; D195-R199 PolarHBondContact OD2-NH2 3.27Å; W196-R199 PolarHBondContact O-N 2.85Å; L197-R199 VanDerWaalsContact C-N 3.34Å; L197-R199 PolarHBondContact O-N 3.22Å |
| 200 | N | 91.9 | Very high | 89.5 | Confident | 73 Ų | 73 | 61.9 Ų | 61.9 | 39% | 0.39 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -113.3 | 37.8 | -173.6 | -64 | -89.3 | 0 | 0 | 0 | 112.7 | W196 F302 | W196-N200 HydrophobicContact CD2-CB 4.26Å; W196-N200 HydrophobicContact CE3-CB 4.34Å; W196-N200 HydrophobicContact CH2-CB 4.02Å; W196-N200 HydrophobicContact CZ2-CB 3.93Å; W196-N200 HydrophobicContact CZ3-CB 4.22Å; W196-N200 PolarHBondContact NE1-ND2 3.02Å; W196-N200 WeakPolarHBondContact O-CB 3.4Å; W196-N200 PolarHBondContact O-N 3.2Å; W196-N200 PolarHBondContact O-ND2 3.27Å; N200-F302 WeakPolarHBondContact O-CD2 3.49Å; N200-F302 WeakPolarHBondContact O-CE2 3.32Å |
| 201 | L | 90.9 | Very high | 89.6 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | trans | -61.2 | 141.9 | 175.4 | -67.2 | 167.9 | 0 | 0 | 0 | 110.5 | C168 R169 V172 F302 | C168-L201 HydrophobicContact CB-CD2 4.24Å; R169-L201 HydrophobicContact CB-CD1 3.87Å; R169-L201 HydrophobicContact CB-CD2 4.21Å; R169-L201 HydrophobicContact CG-CD1 3.93Å; R169-L201 VanDerWaalsContact NH2-CD1 3.31Å; V172-L201 HydrophobicContact CG2-CD2 4.22Å; L201-F302 HydrophobicContact CD2-CE2 4.06Å; L201-F302 HydrophobicContact CD2-CZ 3.78Å | ||
| 202 | P | 87.3 | Confident | 89.7 | Confident | 27 Ų | 27 | 58.6 Ų | 58.6 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | trans | -57.7 | 139.4 | 177.5 | -24.5 | 33.6 | 0 | 0 | 0 | 112.5 | K204 F302 Y303 | P202-K204 PolarHBondContact O-N 2.99Å; P202-F302 HydrophobicContact CG-CD1 3.56Å; P202-F302 HydrophobicContact CG-CE1 3.87Å; P202-F302 HydrophobicContact CG-CG 4.04Å; P202-Y303 HydrophobicContact CG-CE2 4.11Å | ||
| 203 | D | 76.5 | Confident | 89.4 | Confident | 169 Ų | 169 | 54.7 Ų | 54.7 | 90% | 0.904 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -61.7 | -24.6 | -179.9 | -64.6 | -34.2 | 0 | 0 | 0 | 113.3 | ||
| 204 | K | 73.6 | Confident | 89.2 | Confident | 178 Ų | 178 | 56.1 Ų | 56.1 | 77% | 0.774 | 28% | 0.275 | S | S | * | . | trans | -125.5 | 101.2 | 177.7 | -64.4 | -176.6 | -179.2 | 179.8 | 0 | 109.7 | P202 | P202-K204 PolarHBondContact O-N 2.99Š| ||
| 205 | D | 77.3 | Confident | 89.2 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 10% | 0.102 | 27% | 0.272 | C | S | . | . | trans | -117.2 | 32.4 | 177.2 | -168.7 | 26.1 | 0 | 0 | 0 | 111.1 | G166 Y167 C168 | G166-D205 WeakPolarHBondContact CA-OD2 3.31Å; G166-D205 PolarHBondContact N-O 2.91Å; Y167-D205 PolarHBondContact N-OD1 2.8Å; Y167-D205 PolarHBondContact N-OD2 3.49Å; C168-D205 WeakPolarHBondContact CB-OD2 3.41Å; C168-D205 PolarHBondContact N-OD1 2.95Å; C168-D205 PolarHBondContact N-OD2 3.44Å; C168-D205 PolarHBondContact SG-OD1 2.81Å | ||
| 206 | D | 77.4 | Confident | 89.1 | Confident | 116 Ų | 116 | 53.1 Ų | 53.1 | 62% | 0.62 | 26% | 0.257 | S | S | * | . | trans | -103 | -15.7 | -172.1 | -58 | -34.1 | 0 | 0 | 0 | 113.4 | V208 | D206-V208 PolarHBondContact O-N 3.02Š| ||
| 207 | E | 84.4 | Confident | 88.8 | Confident | 83 Ų | 83 | 51 Ų | 51 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | trans | -69.7 | 117.7 | 173.3 | -170.4 | -174.1 | 178.8 | 0 | 0 | 109.3 | T209 P243 R290 | E207-T209 HydrophobicContact CG-CG2 4.3Å; E207-P243 VanDerWaalsContact CD-CG 3.48Å; E207-P243 HydrophobicContact CG-CG 4.27Å; E207-P243 WeakPolarHBondContact OE1-CG 3.47Å; E207-P243 WeakPolarHBondContact OE2-CG 3.47Å; E207-R290 IonicContact OE1-CZ 3.19Å; E207-R290 IonicContact OE1-NH1 3.94Å; E207-R290 IonicContact OE1-NH2 2.99Å; E207-R290 PolarHBondContact OE1-NH2 2.81Å | ||
| 208 | V | 89.3 | Confident | 88.5 | Confident | 41 Ų | 41 | 52.6 Ų | 52.6 | 25% | 0.248 | 26% | 0.257 | C | S | . | . | trans | -118.2 | 109.4 | -178.8 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | L153 P165 D206 | L153-V208 HydrophobicContact CD2-CG1 4.03Å; P165-V208 HydrophobicContact CG-CG2 4.05Å; D206-V208 PolarHBondContact O-N 3.02Å | ||
| 209 | T | 93.2 | Very high | 88.4 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 171.1 | 172.2 | 63.6 | 0 | 0 | 0 | 0 | 109.7 | E207 V211 T240 G241 P243 | E207-T209 HydrophobicContact CG-CG2 4.3Å; T209-V211 PolarHBondContact O-N 3.32Å; T209-T240 CarbonylContact O-C 3.59Å; T209-T240 VanDerWaalsContact O-CA 3.22Å; T209-T240 WeakPolarHBondContact O-CA 3.28Å; T209-G241 PolarHBondContact N-O 2.78Å; T209-G241 PolarHBondContact O-N 3.07Å; T209-G241 PolarHBondContact OG1-O 2.81Å; T209-P243 HydrophobicContact CG2-CB 4.28Å; T209-P243 HydrophobicContact CG2-CG 3.98Å; T209-P243 WeakPolarHBondContact OG1-CB 3.43Å |
| 210 | L | 95.4 | Very high | 88.5 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 120.2 | 165 | -178.5 | 65.1 | 0 | 0 | 0 | 108.7 | V81 L85 L148 H149 L153 L156 L158 F161 W235 | V81-L210 HydrophobicContact CG2-CD1 4Å; V81-L210 HydrophobicContact CG2-CD2 3.87Å; L85-L210 HydrophobicContact CD1-CD2 4.29Å; L85-L210 HydrophobicContact CD2-CD2 3.73Å; L85-L210 HydrophobicContact CG-CD2 4.17Å; L148-L210 HydrophobicContact CD1-CD2 3.92Å; L148-L210 HydrophobicContact CD1-CG 4.27Å; H149-L210 PolarHBondContact CD2-O 3.01Å; L153-L210 HydrophobicContact CD1-CB 4.32Å; L156-L210 HydrophobicContact CD1-CD2 4.03Å; L158-L210 HydrophobicContact CD1-CD1 4.2Å; L158-L210 HydrophobicContact CD1-CD2 4.21Å; F161-L210 HydrophobicContact CD1-CD1 4.1Å; F161-L210 HydrophobicContact CE1-CD1 3.84Å; L210-W235 HydrophobicContact CD2-CZ3 4.46Å |
| 211 | V | 95.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 137.9 | 175.6 | -62.3 | 0 | 0 | 0 | 0 | 109.6 | Y167 T209 S238 T239 S242 D246 | Y167-V211 HydrophobicContact CE2-CG2 4.09Å; T209-V211 PolarHBondContact O-N 3.32Å; V211-S238 CarbonylContact O-C 3.58Å; V211-S238 WeakPolarHBondContact O-CA 3.22Å; V211-S238 VanDerWaalsContact O-CB 3.29Å; V211-S238 WeakPolarHBondContact O-CB 3.43Å; V211-T239 HydrophobicContact CG2-CG2 3.58Å; V211-T239 VanDerWaalsContact CG2-O 3.23Å; V211-T239 WeakPolarHBondContact CG2-O 3.45Å; V211-T239 PolarHBondContact N-O 3.11Å; V211-T239 PolarHBondContact O-N 3.39Å; V211-S242 WeakPolarHBondContact CG1-O 3.26Å; V211-D246 VanDerWaalsContact CA-OD2 3.29Å; V211-D246 WeakPolarHBondContact CA-OD2 3.2Å; V211-D246 WeakPolarHBondContact CB-OD2 3.42Å |
| 212 | H | 95.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -69.2 | -41.5 | 174.5 | -168.9 | -67.2 | 0 | 0 | 0 | 111.7 | L148 D214 Y215 L233 D234 W235 L237 S238 D246 | L148-H212 HydrophobicContact CD2-CB 4.01Å; H212-D214 PolarHBondContact ND1-N 3.07Å; H212-D214 PolarHBondContact O-N 2.91Å; H212-Y215 HydrophobicContact CB-CD2 4.2Å; H212-Y215 AromaticContact CD2-CD2 3.92Å; H212-L233 PolarHBondContact CE1-O 3.43Å; H212-L233 PolarHBondContact NE2-O 3.26Å; H212-D234 PolarHBondContact CE1-O 3.45Å; H212-W235 HydrophobicContact CB-CZ3 4.27Å; H212-W235 AromaticContact CD2-CE2 3.9Å; H212-W235 AromaticContact CD2-CH2 3.69Å; H212-W235 AromaticContact CD2-CZ2 3.72Å; H212-W235 AromaticContact CD2-CZ3 3.87Å; H212-L237 CarbonylContact O-C 3.57Å; H212-S238 VanDerWaalsContact O-CA 3.25Å; H212-S238 WeakPolarHBondContact O-CA 3.28Å; H212-S238 PolarHBondContact O-N 3.34Å; H212-S238 VanDerWaalsContact O-N 3.16Å; H212-D246 WeakPolarHBondContact CB-OD2 3.45Å; H212-D246 PolarHBondContact N-OD2 3.4Å | ||
| 213 | G | 90.2 | Very high | 89.2 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 76.3 | -3.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D246 K310 | G213-D246 VanDerWaalsContact CA-OD1 3.24Å; G213-D246 WeakPolarHBondContact CA-OD1 3.34Å; G213-D246 PolarHBondContact N-OD1 3.17Å; G213-D246 PolarHBondContact N-OD2 3.03Å; G213-K310 PolarHBondContact O-NZ 3.07Å |
| 214 | D | 90.4 | Very high | 89.9 | Confident | 30 Ų | 30 | 31.3 Ų | 31.3 | 16% | 0.16 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -151.8 | 46.1 | 174.9 | -166 | 38.7 | 0 | 0 | 0 | 110.9 | H212 R216 N219 L237 F249 | H212-D214 PolarHBondContact ND1-N 3.07Å; H212-D214 PolarHBondContact O-N 2.91Å; D214-R216 PolarHBondContact O-N 3.42Å; D214-N219 PolarHBondContact O-ND2 3.27Å; D214-N219 PolarHBondContact OD2-ND2 3.01Å; D214-L237 HydrophobicContact CB-CD1 4.28Å; D214-F249 VanDerWaalsContact OD1-CE1 3.22Å; D214-F249 WeakPolarHBondContact OD1-CE1 3.18Å; D214-F249 VanDerWaalsContact OD1-CZ 3.31Å; D214-F249 WeakPolarHBondContact OD1-CZ 3.38Å |
| 215 | Y | 94.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | trans | -81.4 | 109.5 | -173.5 | -163.3 | -91.3 | 0 | 0 | 0 | 111.7 | A141 N144 L145 H212 L220 F250 | A141-Y215 WeakPolarHBondContact O-CE1 3.36Å; A141-Y215 PolarHBondContact O-OH 2.91Å; N144-Y215 WeakPolarHBondContact CB-OH 3.45Å; N144-Y215 PolarHBondContact ND2-OH 2.64Å; L145-Y215 HydrophobicContact CB-CD1 4.19Å; L145-Y215 HydrophobicContact CB-CE1 3.65Å; L145-Y215 HydrophobicContact CB-CE2 4.4Å; L145-Y215 HydrophobicContact CD1-CD1 3.84Å; L145-Y215 HydrophobicContact CD1-CD2 3.84Å; L145-Y215 HydrophobicContact CD1-CE1 4.08Å; L145-Y215 HydrophobicContact CD1-CE2 4.08Å; L145-Y215 HydrophobicContact CD1-CG 3.69Å; L145-Y215 HydrophobicContact CD2-CD1 4.02Å; L145-Y215 HydrophobicContact CD2-CE1 4.24Å; L145-Y215 HydrophobicContact CG-CD1 4.23Å; L145-Y215 HydrophobicContact CG-CE1 4.2Å; L145-Y215 PolarHBondContact N-OH 3Å; H212-Y215 HydrophobicContact CB-CD2 4.2Å; H212-Y215 AromaticContact CD2-CD2 3.92Å; Y215-L220 HydrophobicContact CE1-CD1 4.3Å; Y215-L220 HydrophobicContact CE2-CD2 3.87Å; Y215-F250 HydrophobicContact CD1-CB 4.29Å; Y215-F250 AromaticContact CD1-CD2 3.81Å; Y215-F250 HydrophobicContact CD1-CD2 3.81Å; Y215-F250 HydrophobicContact CD1-CG 4.27Å; Y215-F250 HydrophobicContact CE1-CD2 4.08Å; Y215-F250 HydrophobicContact CE1-CE2 4.4Å | ||
| 216 | R | 90.6 | Very high | 91.4 | Very high | 27 Ų | 27 | 32 Ų | 32 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | trans | -149.8 | 157.1 | -176.5 | 49.6 | -164.3 | -58.1 | -94.8 | -8.1 | 111.3 | F124 D214 D218 N219 F265 | F124-R216 VanDerWaalsContact CZ-NH2 3.28Å; D214-R216 PolarHBondContact O-N 3.42Å; R216-D218 VanDerWaalsContact CG-OD1 3.23Å; R216-D218 WeakPolarHBondContact CG-OD1 3.38Å; R216-D218 IonicContact CZ-OD1 2.93Å; R216-D218 IonicContact CZ-OD2 3.94Å; R216-D218 IonicContact NE-OD1 3.25Å; R216-D218 PolarHBondContact NE-OD1 3.12Å; R216-D218 IonicContact NH1-OD1 2.81Å; R216-D218 PolarHBondContact NH1-OD1 2.78Å; R216-D218 IonicContact NH1-OD2 2.95Å; R216-D218 PolarHBondContact NH1-OD2 2.77Å; R216-D218 IonicContact NH2-OD1 2.83Å; R216-D218 PolarHBondContact NH2-OD1 3.44Å; R216-D218 IonicContact NH2-OD2 2.88Å; R216-D218 PolarHBondContact NH2-OD2 2.98Å; R216-D218 VanDerWaalsContact NH2-OD2 3.1Å; R216-D218 PolarHBondContact O-N 3.13Å; R216-N219 HydrophobicContact CG-CB 4.19Å; R216-N219 WeakPolarHBondContact CG-ND2 3.28Å; R216-N219 PolarHBondContact O-N 2.85Å; R216-F265 VanDerWaalsContact CZ-O 3.27Å; R216-F265 PolarHBondContact NH1-O 3.08Å; R216-F265 PolarHBondContact NH2-O 2.96Å | ||
| 217 | L | 89.9 | Confident | 92 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -58.8 | -31.8 | -171.6 | -80.6 | 173.9 | 0 | 0 | 0 | 113.9 | F124 V137 Y138 A141 N219 L220 F222 F250 | F124-L217 HydrophobicContact CD1-CB 3.8Å; F124-L217 HydrophobicContact CD1-CD1 3.96Å; F124-L217 HydrophobicContact CD1-CG 4.37Å; F124-L217 HydrophobicContact CE1-CB 3.73Å; V137-L217 HydrophobicContact CG1-CD2 3.95Å; Y138-L217 HydrophobicContact CD1-CD1 4.4Å; Y138-L217 HydrophobicContact CD2-CD1 4.24Å; Y138-L217 HydrophobicContact CE1-CD1 3.88Å; Y138-L217 HydrophobicContact CE2-CD1 3.69Å; Y138-L217 VanDerWaalsContact CZ-CD1 3.49Å; A141-L217 HydrophobicContact CB-CD2 3.62Å; L217-N219 VanDerWaalsContact C-N 3.29Å; L217-L220 HydrophobicContact CD2-CD1 4.44Å; L217-L220 WeakPolarHBondContact O-CB 3.33Å; L217-L220 PolarHBondContact O-N 2.64Å; L217-F222 HydrophobicContact CD2-CE2 4.29Å; L217-F222 HydrophobicContact CD2-CZ 4.13Å; L217-F250 HydrophobicContact CD2-CE2 4.27Å; L217-F250 HydrophobicContact CG-CE2 4.04Å; L217-F250 HydrophobicContact CG-CZ 4.47Å |
| 218 | D | 87.9 | Confident | 92.5 | Very high | 32 Ų | 32 | 30.9 Ų | 30.9 | 17% | 0.171 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -83 | -6.2 | 179.9 | 63.7 | -37.2 | 0 | 0 | 0 | 113.9 | I120 F121 R122 R216 L220 | I120-D218 HydrophobicContact CG2-CB 4.28Å; I120-D218 VanDerWaalsContact CG2-O 3.23Å; I120-D218 WeakPolarHBondContact CG2-O 3.37Å; F121-D218 WeakPolarHBondContact O-CA 3.4Å; F121-D218 WeakPolarHBondContact O-CB 3.39Å; F121-D218 PolarHBondContact O-N 2.95Å; R122-D218 HydrophobicContact CG-CB 4.13Å; R216-D218 VanDerWaalsContact CG-OD1 3.23Å; R216-D218 WeakPolarHBondContact CG-OD1 3.38Å; R216-D218 IonicContact CZ-OD1 2.93Å; R216-D218 IonicContact CZ-OD2 3.94Å; R216-D218 IonicContact NE-OD1 3.25Å; R216-D218 PolarHBondContact NE-OD1 3.12Å; R216-D218 IonicContact NH1-OD1 2.81Å; R216-D218 PolarHBondContact NH1-OD1 2.78Å; R216-D218 IonicContact NH1-OD2 2.95Å; R216-D218 PolarHBondContact NH1-OD2 2.77Å; R216-D218 IonicContact NH2-OD1 2.83Å; R216-D218 PolarHBondContact NH2-OD1 3.44Å; R216-D218 IonicContact NH2-OD2 2.88Å; R216-D218 PolarHBondContact NH2-OD2 2.98Å; R216-D218 VanDerWaalsContact NH2-OD2 3.1Å; R216-D218 PolarHBondContact O-N 3.13Å; D218-L220 VanDerWaalsContact C-N 3.32Å |
| 219 | N | 92.9 | Very high | 92.8 | Very high | 17 Ų | 17 | 29.7 Ų | 29.7 | 9% | 0.091 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -92.1 | 8.4 | 164.3 | -74.1 | -16.3 | 0 | 0 | 0 | 112.1 | D214 R216 L217 L233 | D214-N219 PolarHBondContact O-ND2 3.27Å; D214-N219 PolarHBondContact OD2-ND2 3.01Å; R216-N219 HydrophobicContact CG-CB 4.19Å; R216-N219 WeakPolarHBondContact CG-ND2 3.28Å; R216-N219 PolarHBondContact O-N 2.85Å; L217-N219 VanDerWaalsContact C-N 3.29Å; N219-L233 WeakPolarHBondContact O-CB 3.45Å; N219-L233 PolarHBondContact O-N 2.93Å |
| 220 | L | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131 | 175.6 | -57.1 | -178.9 | 0 | 0 | 0 | 111.2 | A141 Y215 L217 D218 F222 V229 S232 | A141-L220 HydrophobicContact CB-CD1 3.58Å; Y215-L220 HydrophobicContact CE1-CD1 4.3Å; Y215-L220 HydrophobicContact CE2-CD2 3.87Å; L217-L220 HydrophobicContact CD2-CD1 4.44Å; L217-L220 WeakPolarHBondContact O-CB 3.33Å; L217-L220 PolarHBondContact O-N 2.64Å; D218-L220 VanDerWaalsContact C-N 3.32Å; L220-F222 HydrophobicContact CB-CD2 4.22Å; L220-F222 HydrophobicContact CB-CE2 3.66Å; L220-F222 HydrophobicContact CB-CZ 4.31Å; L220-F222 HydrophobicContact CD1-CE2 4.24Å; L220-F222 HydrophobicContact CD1-CZ 4.13Å; L220-V229 HydrophobicContact CB-CG1 4.47Å; L220-V229 HydrophobicContact CD1-CG2 4.27Å; L220-V229 HydrophobicContact CD2-CG1 4.19Å; L220-S232 VanDerWaalsContact CD2-OG 3.22Å; L220-S232 WeakPolarHBondContact CD2-OG 3.25Å |
| 221 | I | 94.6 | Very high | 93 | Very high | 10 Ų | 10 | 31 Ų | 31 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 121.2 | 167.4 | -55.5 | -175.5 | 0 | 0 | 0 | 108 | H115 I120 M230 A231 L233 | H115-I221 HydrophobicContact CB-CD1 4.21Å; H115-I221 HydrophobicContact CB-CG2 4.31Å; I120-I221 HydrophobicContact CD1-CG1 4.15Å; I120-I221 HydrophobicContact CG1-CG1 4.08Å; I221-M230 HydrophobicContact CG2-CB 4.36Å; I221-M230 PolarHBondContact O-N 3.49Å; I221-A231 HydrophobicContact CB-CB 4.2Å; I221-A231 HydrophobicContact CD1-CB 4.22Å; I221-A231 HydrophobicContact CG1-CB 4.37Å; I221-A231 PolarHBondContact N-O 3.11Å; I221-A231 PolarHBondContact O-N 3.07Å; I221-L233 HydrophobicContact CD1-CD1 3.92Å; I221-L233 HydrophobicContact CD1-CD2 3.9Å; I221-L233 HydrophobicContact CD1-CG 4.2Å; I221-L233 HydrophobicContact CG1-CD1 3.72Å; I221-L233 HydrophobicContact CG1-CD2 4.27Å; I221-L233 HydrophobicContact CG1-CG 4.04Å |
| 222 | F | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 155.2 | 173.7 | -71.3 | -96.4 | 0 | 0 | 0 | 111.6 | G118 R119 F121 V137 A140 A141 L217 L220 R228 V229 | G118-F222 CarbonylContact C-O 3.54Å; G118-F222 WeakPolarHBondContact CA-O 3.41Å; R119-F222 HydrophobicContact CB-CB 4.38Å; R119-F222 PolarHBondContact N-O 3.44Å; R119-F222 PolarHBondContact O-N 3.17Å; F121-F222 AromaticContact CD2-CD2 3.58Å; F121-F222 HydrophobicContact CD2-CD2 3.58Å; F121-F222 AromaticContact CD2-CE2 3.7Å; F121-F222 HydrophobicContact CD2-CE2 3.7Å; F121-F222 HydrophobicContact CD2-CG 4.25Å; F121-F222 HydrophobicContact CD2-CZ 4.46Å; F121-F222 HydrophobicContact CE2-CB 4.02Å; F121-F222 HydrophobicContact CE2-CD1 4.28Å; F121-F222 AromaticContact CE2-CD2 3.47Å; F121-F222 HydrophobicContact CE2-CD2 3.47Å; F121-F222 VanDerWaalsContact CE2-CD2 3.47Å; F121-F222 AromaticContact CE2-CE2 3.93Å; F121-F222 HydrophobicContact CE2-CE2 3.93Å; F121-F222 AromaticContact CE2-CG 3.66Å; F121-F222 HydrophobicContact CE2-CG 3.66Å; V137-F222 HydrophobicContact CG1-CE1 4.13Å; V137-F222 HydrophobicContact CG1-CE2 4.24Å; V137-F222 HydrophobicContact CG1-CZ 3.78Å; A140-F222 HydrophobicContact CB-CE1 4.11Å; A141-F222 HydrophobicContact CB-CZ 4.43Å; L217-F222 HydrophobicContact CD2-CE2 4.29Å; L217-F222 HydrophobicContact CD2-CZ 4.13Å; L220-F222 HydrophobicContact CB-CD2 4.22Å; L220-F222 HydrophobicContact CB-CE2 3.66Å; L220-F222 HydrophobicContact CB-CZ 4.31Å; L220-F222 HydrophobicContact CD1-CE2 4.24Å; L220-F222 HydrophobicContact CD1-CZ 4.13Å; F222-R228 CarbonylContact C-O 3.55Å; F222-R228 VanDerWaalsContact CA-O 3.32Å; F222-R228 WeakPolarHBondContact CA-O 3.29Å; F222-V229 HydrophobicContact CD1-CG2 4.19Å; F222-V229 HydrophobicContact CE1-CG2 3.68Å; F222-V229 HydrophobicContact CZ-CG2 3.97Å |
| 223 | H | 94.8 | Very high | 92.8 | Very high | 41 Ų | 41 | 32.7 Ų | 32.7 | 19% | 0.19 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -55.6 | 143.5 | 172.4 | -169.5 | -100.7 | 0 | 0 | 0 | 111.9 | R119 T225 E226 R228 M230 | R119-H223 PolarHBondContact NE-O 3.16Å; R119-H223 PolarHBondContact NH2-O 3.34Å; H223-T225 PolarHBondContact CE1-OG1 2.85Å; H223-T225 VanDerWaalsContact CE1-OG1 3.25Å; H223-T225 PolarHBondContact ND1-N 2.88Å; H223-T225 PolarHBondContact ND1-OG1 3.43Å; H223-T225 VanDerWaalsContact ND1-OG1 3.16Å; H223-T225 PolarHBondContact O-N 3.25Å; H223-T225 VanDerWaalsContact O-N 3.12Å; H223-E226 HydrophobicContact CB-CB 3.91Å; H223-E226 PolarHBondContact ND1-N 2.75Å; H223-E226 IonicContact ND1-OE2 3.12Å; H223-R228 HydrophobicContact CB-CB 4.39Å; H223-R228 PolarHBondContact CD2-NH2 2.68Å; H223-R228 PolarHBondContact N-O 2.71Å; H223-M230 VanDerWaalsContact CA-SD 3.58Å; H223-M230 HydrophobicContact CB-CG 4.32Å; H223-M230 HydrophobicContact CB-SD 4.19Å |
| 224 | P | 91.1 | Very high | 92.8 | Very high | 41 Ų | 41 | 34.2 Ų | 34.2 | 27% | 0.266 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -49.9 | -37.2 | 179.7 | 0.7 | -16 | 0 | 0 | 0 | 114.6 | Q117 R119 | Q117-P224 HydrophobicContact CB-CB 4.37Å; Q117-P224 HydrophobicContact CB-CG 3.88Å; Q117-P224 WeakPolarHBondContact O-CA 3.35Å; Q117-P224 WeakPolarHBondContact O-CB 3.35Å; Q117-P224 VanDerWaalsContact O-CD 3.28Å; Q117-P224 WeakPolarHBondContact O-CD 3.39Å; Q117-P224 VanDerWaalsContact O-CG 3.27Å; Q117-P224 WeakPolarHBondContact O-CG 3.42Å; R119-P224 VanDerWaalsContact CD-O 3.24Å; R119-P224 WeakPolarHBondContact CD-O 3.5Å; R119-P224 PolarHBondContact NE-O 2.89Å; R119-P224 VanDerWaalsContact NE-O 3.12Å |
| 225 | T | 89.2 | Confident | 92.9 | Very high | 116 Ų | 116 | 32.9 Ų | 32.9 | 71% | 0.712 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -120.9 | -18.3 | -175.3 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | H223 | H223-T225 PolarHBondContact CE1-OG1 2.85Å; H223-T225 VanDerWaalsContact CE1-OG1 3.25Å; H223-T225 PolarHBondContact ND1-N 2.88Å; H223-T225 PolarHBondContact ND1-OG1 3.43Å; H223-T225 VanDerWaalsContact ND1-OG1 3.16Å; H223-T225 PolarHBondContact O-N 3.25Å; H223-T225 VanDerWaalsContact O-N 3.12Å |
| 226 | E | 91.9 | Very high | 92.6 | Very high | 95 Ų | 95 | 34.6 Ų | 34.6 | 44% | 0.444 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -111.4 | 153.5 | -173.4 | -60.7 | 170.4 | 179.8 | 0 | 0 | 110.9 | R119 H223 R228 | R119-E226 PolarHBondContact NH2-O 3.46Å; H223-E226 HydrophobicContact CB-CB 3.91Å; H223-E226 PolarHBondContact ND1-N 2.75Å; H223-E226 IonicContact ND1-OE2 3.12Å; E226-R228 HydrophobicContact CB-CB 4.31Å; E226-R228 PolarHBondContact O-N 3.04Å; E226-R228 IonicContact OE2-NE 3.21Å; E226-R228 PolarHBondContact OE2-NE 3.28Å; E226-R228 IonicContact OE2-NH2 2.94Å |
| 227 | T | 91.1 | Very high | 92.6 | Very high | 57 Ų | 57 | 36.6 Ų | 36.6 | 35% | 0.35 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -83.3 | 57.7 | 171.6 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | V137 A140 | V137-T227 HydrophobicContact CG2-CG2 3.85Å; A140-T227 VanDerWaalsContact CB-O 3.23Å; A140-T227 WeakPolarHBondContact CB-O 3.5Å |
| 228 | R | 94.4 | Very high | 92.7 | Very high | 119 Ų | 119 | 36.6 Ų | 36.6 | 45% | 0.449 | 19% | 0.189 | S | C | . | . | trans | -122.8 | 129.4 | 179.7 | -178.6 | 173.6 | 60.7 | 82.6 | -4.9 | 109.9 | F222 H223 E226 M230 | F222-R228 CarbonylContact C-O 3.55Å; F222-R228 VanDerWaalsContact CA-O 3.32Å; F222-R228 WeakPolarHBondContact CA-O 3.29Å; H223-R228 HydrophobicContact CB-CB 4.39Å; H223-R228 PolarHBondContact CD2-NH2 2.68Å; H223-R228 PolarHBondContact N-O 2.71Å; E226-R228 HydrophobicContact CB-CB 4.31Å; E226-R228 PolarHBondContact O-N 3.04Å; E226-R228 IonicContact OE2-NE 3.21Å; E226-R228 PolarHBondContact OE2-NE 3.28Å; E226-R228 IonicContact OE2-NH2 2.94Å; R228-M230 PolarHBondContact O-N 2.97Å | ||
| 229 | V | 96.8 | Very high | 93 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 10% | 0.097 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 122.4 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | P91 A140 N144 L220 F222 | P91-V229 HydrophobicContact CG-CG1 4.49Å; A140-V229 HydrophobicContact CB-CG2 4.42Å; N144-V229 HydrophobicContact CB-CB 4.26Å; N144-V229 HydrophobicContact CB-CG1 4.47Å; N144-V229 HydrophobicContact CB-CG2 4.04Å; L220-V229 HydrophobicContact CB-CG1 4.47Å; L220-V229 HydrophobicContact CD1-CG2 4.27Å; L220-V229 HydrophobicContact CD2-CG1 4.19Å; F222-V229 HydrophobicContact CD1-CG2 4.19Å; F222-V229 HydrophobicContact CE1-CG2 3.68Å; F222-V229 HydrophobicContact CZ-CG2 3.97Å |
| 230 | M | 95.6 | Very high | 93 | Very high | 43 Ų | 43 | 35.9 Ų | 35.9 | 21% | 0.212 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -36.4 | 175.3 | -74.7 | -177.7 | 41 | 0 | 0 | 112.5 | P91 H115 I221 H223 R228 | P91-M230 WeakPolarHBondContact CB-O 3.18Å; H115-M230 HydrophobicContact CB-CE 4.03Å; H115-M230 WeakPolarHBondContact ND1-CE 3.38Å; I221-M230 HydrophobicContact CG2-CB 4.36Å; I221-M230 PolarHBondContact O-N 3.49Å; H223-M230 VanDerWaalsContact CA-SD 3.58Å; H223-M230 HydrophobicContact CB-CG 4.32Å; H223-M230 HydrophobicContact CB-SD 4.19Å; R228-M230 PolarHBondContact O-N 2.97Å |
| 231 | A | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 139.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P91 P93 I221 | P91-A231 CarbonylContact O-C 3.34Å; P91-A231 WeakPolarHBondContact O-CA 3.29Å; P93-A231 HydrophobicContact CG-CB 3.98Å; I221-A231 HydrophobicContact CB-CB 4.2Å; I221-A231 HydrophobicContact CD1-CB 4.22Å; I221-A231 HydrophobicContact CG1-CB 4.37Å; I221-A231 PolarHBondContact N-O 3.11Å; I221-A231 PolarHBondContact O-N 3.07Å |
| 232 | S | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 132.2 | 164.1 | -64.4 | 0 | 0 | 0 | 0 | 110.6 | P91 N144 L220 W235 | P91-S232 PolarHBondContact O-N 2.98Å; N144-S232 PolarHBondContact ND2-OG 3.34Å; L220-S232 VanDerWaalsContact CD2-OG 3.22Å; L220-S232 WeakPolarHBondContact CD2-OG 3.25Å; S232-W235 PolarHBondContact O-NE1 3.39Å |
| 233 | L | 92.3 | Very high | 92.6 | Very high | 34 Ų | 34 | 35.7 Ų | 35.7 | 18% | 0.178 | 19% | 0.186 | C | C | . | . | trans | -111.3 | 163.1 | -173 | -56.3 | 178.5 | 0 | 0 | 0 | 111.9 | P93 I120 H212 N219 I221 | P93-L233 HydrophobicContact CG-CD2 3.48Å; P93-L233 VanDerWaalsContact CG-CD2 3.48Å; I120-L233 HydrophobicContact CD1-CD1 4.33Å; H212-L233 PolarHBondContact CE1-O 3.43Å; H212-L233 PolarHBondContact NE2-O 3.26Å; N219-L233 WeakPolarHBondContact O-CB 3.45Å; N219-L233 PolarHBondContact O-N 2.93Å; I221-L233 HydrophobicContact CD1-CD1 3.92Å; I221-L233 HydrophobicContact CD1-CD2 3.9Å; I221-L233 HydrophobicContact CD1-CG 4.2Å; I221-L233 HydrophobicContact CG1-CD1 3.72Å; I221-L233 HydrophobicContact CG1-CD2 4.27Å; I221-L233 HydrophobicContact CG1-CG 4.04Å | ||
| 234 | D | 89.3 | Confident | 92.5 | Very high | 37 Ų | 37 | 34 Ų | 34 | 20% | 0.198 | 18% | 0.178 | C | C | . | . | trans | 66.2 | 63.9 | 171 | -149.3 | 7.2 | 0 | 0 | 0 | 115.8 | R61 H212 E236 | R61-D234 IonicContact CZ-OD1 2.65Å; R61-D234 IonicContact NH1-OD1 3.84Å; R61-D234 PolarHBondContact NH1-OD1 2.71Å; R61-D234 IonicContact NH2-OD1 3.89Å; R61-D234 PolarHBondContact NH2-OD1 2.95Å; H212-D234 PolarHBondContact CE1-O 3.45Å; D234-E236 PolarHBondContact O-N 3.39Å | ||
| 235 | W | 92.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -81 | 13.5 | -178.5 | -68.7 | 87.5 | 0 | 0 | 0 | 114.6 | V81 Q82 L85 F90 V92 L148 L210 H212 S232 L237 S238 | V81-W235 HydrophobicContact CG1-CB 3.76Å; V81-W235 HydrophobicContact CG1-CD2 4.38Å; V81-W235 HydrophobicContact CG1-CE3 4.28Å; V81-W235 HydrophobicContact CG1-CG 4.17Å; V81-W235 HydrophobicContact CG2-CE3 4.12Å; Q82-W235 HydrophobicContact CG-CB 4.39Å; Q82-W235 VanDerWaalsContact CG-CD1 3.45Å; Q82-W235 HydrophobicContact CG-CG 3.9Å; L85-W235 HydrophobicContact CD1-CD2 3.97Å; L85-W235 HydrophobicContact CD1-CE3 3.84Å; L85-W235 HydrophobicContact CD1-CH2 3.23Å; L85-W235 HydrophobicContact CD1-CZ2 3.32Å; L85-W235 HydrophobicContact CD1-CZ3 3.5Å; F90-W235 HydrophobicContact CD1-CZ2 4.46Å; F90-W235 HydrophobicContact CE1-CH2 4.13Å; F90-W235 AromaticContact CE1-CZ2 3.92Å; F90-W235 HydrophobicContact CE1-CZ2 3.92Å; V92-W235 HydrophobicContact CG1-CZ2 3.74Å; L148-W235 HydrophobicContact CD1-CH2 3.65Å; L148-W235 HydrophobicContact CD1-CZ3 4.09Å; L148-W235 HydrophobicContact CD2-CH2 3.75Å; L148-W235 HydrophobicContact CD2-CZ3 4.13Å; L148-W235 HydrophobicContact CG-CH2 4.35Å; L210-W235 HydrophobicContact CD2-CZ3 4.46Å; H212-W235 HydrophobicContact CB-CZ3 4.27Å; H212-W235 AromaticContact CD2-CE2 3.9Å; H212-W235 AromaticContact CD2-CH2 3.69Å; H212-W235 AromaticContact CD2-CZ2 3.72Å; H212-W235 AromaticContact CD2-CZ3 3.87Å; S232-W235 PolarHBondContact O-NE1 3.39Å; W235-L237 VanDerWaalsContact C-N 3.33Å; W235-L237 PolarHBondContact O-N 3.02Å; W235-S238 VanDerWaalsContact O-CB 3.29Å; W235-S238 WeakPolarHBondContact O-CB 3.31Å; W235-S238 PolarHBondContact O-N 3.5Å; W235-S238 VanDerWaalsContact O-N 3.17Å; W235-S238 PolarHBondContact O-OG 3.04Å |
| 236 | E | 88.6 | Confident | 92.8 | Very high | 38 Ų | 38 | 27.1 Ų | 27.1 | 18% | 0.178 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -59.8 | -42.1 | -174 | -173.1 | 179.2 | 170.9 | 0 | 0 | 112.7 | S45 H73 E78 D234 S238 | S45-E236 WeakPolarHBondContact CB-OE2 3.3Å; S45-E236 PolarHBondContact OG-OE1 3.25Å; S45-E236 PolarHBondContact OG-OE2 3.32Å; H73-E236 IonicContact ND1-OE1 2.68Å; E78-E236 HydrophobicContact CG-CB 4.4Å; E78-E236 VanDerWaalsContact OE1-CB 3.3Å; E78-E236 WeakPolarHBondContact OE1-CB 3.31Å; D234-E236 PolarHBondContact O-N 3.39Å; E236-S238 VanDerWaalsContact C-N 3.27Å; E236-S238 PolarHBondContact O-N 2.9Å |
| 237 | L | 88.8 | Confident | 93 | Very high | 69 Ų | 69 | 22.6 Ų | 22.6 | 36% | 0.361 | 12% | 0.115 | S | C | . | . | G | 310 helix | trans | -86.8 | 3.4 | -177.2 | -59.4 | -172 | 0 | 0 | 0 | 113.4 | H212 D214 W235 | H212-L237 CarbonylContact O-C 3.57Å; D214-L237 HydrophobicContact CB-CD1 4.28Å; W235-L237 VanDerWaalsContact C-N 3.33Å; W235-L237 PolarHBondContact O-N 3.02Å |
| 238 | S | 93.1 | Very high | 93 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | trans | -68.8 | 144.9 | -174.4 | 66.8 | 0 | 0 | 0 | 0 | 112.5 | R77 F161 V211 H212 W235 E236 | R77-S238 PolarHBondContact NH2-O 3.4Å; F161-S238 WeakPolarHBondContact CZ-OG 3.36Å; V211-S238 CarbonylContact O-C 3.58Å; V211-S238 WeakPolarHBondContact O-CA 3.22Å; V211-S238 VanDerWaalsContact O-CB 3.29Å; V211-S238 WeakPolarHBondContact O-CB 3.43Å; H212-S238 VanDerWaalsContact O-CA 3.25Å; H212-S238 WeakPolarHBondContact O-CA 3.28Å; H212-S238 PolarHBondContact O-N 3.34Å; H212-S238 VanDerWaalsContact O-N 3.16Å; W235-S238 VanDerWaalsContact O-CB 3.29Å; W235-S238 WeakPolarHBondContact O-CB 3.31Å; W235-S238 PolarHBondContact O-N 3.5Å; W235-S238 VanDerWaalsContact O-N 3.17Å; W235-S238 PolarHBondContact O-OG 3.04Å; E236-S238 VanDerWaalsContact C-N 3.27Å; E236-S238 PolarHBondContact O-N 2.9Å | ||
| 239 | T | 93 | Very high | 92.9 | Very high | 25 Ų | 25 | 15 Ų | 15 | 15% | 0.153 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | -176.6 | -178.7 | -168.5 | 0 | 0 | 0 | 0 | 110.3 | R77 Y167 V211 | R77-T239 PolarHBondContact NH2-OG1 3.32Å; Y167-T239 HydrophobicContact CD2-CG2 4.32Å; Y167-T239 HydrophobicContact CE2-CG2 3.68Å; V211-T239 HydrophobicContact CG2-CG2 3.58Å; V211-T239 VanDerWaalsContact CG2-O 3.23Å; V211-T239 WeakPolarHBondContact CG2-O 3.45Å; V211-T239 PolarHBondContact N-O 3.11Å; V211-T239 PolarHBondContact O-N 3.39Å |
| 240 | T | 93.1 | Very high | 92.7 | Very high | 9 Ų | 9 | 14.7 Ų | 14.7 | 6% | 0.055 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 134.7 | 167.8 | 67.1 | 0 | 0 | 0 | 0 | 110.3 | L153 F161 G162 T209 | L153-T240 HydrophobicContact CD1-CG2 3.89Å; L153-T240 HydrophobicContact CD2-CG2 3.74Å; L153-T240 HydrophobicContact CG-CG2 4.45Å; F161-T240 HydrophobicContact CD1-CG2 4.37Å; G162-T240 VanDerWaalsContact CA-OG1 3.28Å; G162-T240 WeakPolarHBondContact CA-OG1 3.22Å; T209-T240 CarbonylContact O-C 3.59Å; T209-T240 VanDerWaalsContact O-CA 3.22Å; T209-T240 WeakPolarHBondContact O-CA 3.28Å |
| 241 | G | 91.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.6 | -167.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | T209 | T209-G241 PolarHBondContact N-O 2.78Å; T209-G241 PolarHBondContact O-N 3.07Å; T209-G241 PolarHBondContact OG1-O 2.81Å |
| 242 | S | 92.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 12.7 Ų | 12.7 | 4% | 0.035 | 7% | 0.068 | C | C | . | . | trans | -72.5 | 121.5 | -178.4 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | V211 L244 A245 Y303 | V211-S242 WeakPolarHBondContact CG1-O 3.26Å; S242-L244 PolarHBondContact O-N 3.47Å; S242-A245 WeakPolarHBondContact O-CB 3.44Å; S242-A245 PolarHBondContact O-N 2.81Å; S242-A245 VanDerWaalsContact O-N 3.16Å; S242-Y303 PolarHBondContact OG-OH 3.41Å | ||
| 243 | P | 93.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.006 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.2 | -20.3 | -178.5 | 24.2 | -31.9 | 0 | 0 | 0 | 113.5 | H149 E207 T209 A245 D246 L247 Y286 | H149-P243 HydrophobicContact CB-CB 3.94Å; H149-P243 PolarHBondContact CE1-O 3.16Å; H149-P243 WeakPolarHBondContact ND1-CB 3.35Å; E207-P243 VanDerWaalsContact CD-CG 3.48Å; E207-P243 HydrophobicContact CG-CG 4.27Å; E207-P243 WeakPolarHBondContact OE1-CG 3.47Å; E207-P243 WeakPolarHBondContact OE2-CG 3.47Å; T209-P243 HydrophobicContact CG2-CB 4.28Å; T209-P243 HydrophobicContact CG2-CG 3.98Å; T209-P243 WeakPolarHBondContact OG1-CB 3.43Å; P243-A245 PolarHBondContact O-N 3.46Å; P243-D246 PolarHBondContact O-N 2.99Å; P243-L247 PolarHBondContact O-N 3Å; P243-Y286 WeakPolarHBondContact CB-OH 3.4Å |
| 244 | L | 92.7 | Very high | 90.4 | Very high | 7 Ų | 7 | 12.8 Ų | 12.8 | 4% | 0.037 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68.7 | -21 | 178.1 | -59.2 | -177.8 | 0 | 0 | 0 | 112.8 | S242 L247 A248 L297 P298 L300 Y303 | S242-L244 PolarHBondContact O-N 3.47Å; L244-L247 HydrophobicContact CD2-CD2 4.31Å; L244-A248 WeakPolarHBondContact O-CB 3.47Å; L244-A248 PolarHBondContact O-N 3.45Å; L244-L297 HydrophobicContact CD1-CD2 4.47Å; L244-L297 HydrophobicContact CD2-CD1 4.14Å; L244-L297 HydrophobicContact CD2-CD2 3.71Å; L244-P298 HydrophobicContact CD1-CG 3.56Å; L244-L300 HydrophobicContact CB-CD2 4.33Å; L244-L300 HydrophobicContact CD2-CD2 4.34Å; L244-Y303 HydrophobicContact CB-CD1 3.93Å; L244-Y303 HydrophobicContact CB-CD2 4.02Å; L244-Y303 HydrophobicContact CB-CE1 3.74Å; L244-Y303 HydrophobicContact CB-CE2 3.84Å; L244-Y303 HydrophobicContact CB-CG 4.06Å; L244-Y303 HydrophobicContact CD1-CD2 4.47Å; L244-Y303 HydrophobicContact CD1-CE2 3.74Å; L244-Y303 HydrophobicContact CG-CE2 4.45Å |
| 245 | A | 92.8 | Very high | 89.6 | Confident | 10 Ų | 10 | 12 Ų | 12 | 8% | 0.083 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.4 | -44.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y167 S242 P243 F249 Y303 | Y167-A245 HydrophobicContact CE1-CB 3.57Å; S242-A245 WeakPolarHBondContact O-CB 3.44Å; S242-A245 PolarHBondContact O-N 2.81Å; S242-A245 VanDerWaalsContact O-N 3.16Å; P243-A245 PolarHBondContact O-N 3.46Å; A245-F249 VanDerWaalsContact O-CB 3.25Å; A245-F249 WeakPolarHBondContact O-CB 3.37Å; A245-F249 PolarHBondContact O-N 3.42Å; A245-Y303 HydrophobicContact CB-CD1 4.3Å |
| 246 | D | 94.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.011 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -70.7 | -40.5 | 176.8 | -81.8 | -10.7 | 0 | 0 | 0 | 112 | L145 H149 V211 H212 G213 P243 F249 F250 | L145-D246 HydrophobicContact CD1-CB 3.98Å; H149-D246 IonicContact NE2-OD2 3.48Å; H149-D246 PolarHBondContact NE2-OD2 3.13Å; V211-D246 VanDerWaalsContact CA-OD2 3.29Å; V211-D246 WeakPolarHBondContact CA-OD2 3.2Å; V211-D246 WeakPolarHBondContact CB-OD2 3.42Å; H212-D246 WeakPolarHBondContact CB-OD2 3.45Å; H212-D246 PolarHBondContact N-OD2 3.4Å; G213-D246 VanDerWaalsContact CA-OD1 3.24Å; G213-D246 WeakPolarHBondContact CA-OD1 3.34Å; G213-D246 PolarHBondContact N-OD1 3.17Å; G213-D246 PolarHBondContact N-OD2 3.03Å; P243-D246 PolarHBondContact O-N 2.99Å; D246-F249 PolarHBondContact O-N 2.87Å; D246-F250 WeakPolarHBondContact O-CB 3.44Å; D246-F250 PolarHBondContact O-N 3.21Å |
| 247 | L | 94.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.6 | -48 | 176.2 | 179.1 | 63.2 | 0 | 0 | 0 | 111 | L145 P243 L244 F249 F250 L251 I283 Y286 L297 | L145-L247 HydrophobicContact CD2-CB 4.36Å; L145-L247 HydrophobicContact CD2-CD1 4.28Å; P243-L247 PolarHBondContact O-N 3Å; L244-L247 HydrophobicContact CD2-CD2 4.31Å; L247-F249 PolarHBondContact O-N 3.02Å; L247-F250 PolarHBondContact O-N 3.29Å; L247-L251 HydrophobicContact CD1-CD1 4.02Å; L247-L251 HydrophobicContact CD1-CG 4.35Å; L247-L251 HydrophobicContact CG-CD1 3.99Å; L247-L251 WeakPolarHBondContact O-CG 3.32Å; L247-L251 PolarHBondContact O-N 2.88Å; L247-L251 VanDerWaalsContact O-N 3.12Å; L247-I283 HydrophobicContact CD2-CG1 4.4Å; L247-Y286 HydrophobicContact CD1-CD1 4.5Å; L247-Y286 HydrophobicContact CD1-CD2 4.06Å; L247-Y286 HydrophobicContact CD1-CG 3.99Å; L247-Y286 HydrophobicContact CD2-CD1 3.65Å; L247-Y286 HydrophobicContact CD2-CE1 3.87Å; L247-Y286 HydrophobicContact CD2-CG 3.99Å; L247-L297 HydrophobicContact CD2-CD1 4.37Å |
| 248 | A | 92.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L244 F250 L251 V252 L304 | L244-A248 WeakPolarHBondContact O-CB 3.47Å; L244-A248 PolarHBondContact O-N 3.45Å; A248-F250 VanDerWaalsContact C-N 3.33Å; A248-F250 PolarHBondContact O-N 2.98Å; A248-L251 PolarHBondContact O-N 2.95Å; A248-V252 VanDerWaalsContact O-CG2 3.25Å; A248-V252 WeakPolarHBondContact O-CG2 3.44Å; A248-V252 PolarHBondContact O-N 2.68Å; A248-L304 HydrophobicContact CB-CD2 4.09Å; A248-L304 HydrophobicContact CB-CG 4.29Å; A248-L304 WeakPolarHBondContact O-CD2 3.45Å |
| 249 | F | 91.5 | Very high | 82 | Confident | 17 Ų | 17 | 19 Ų | 19 | 8% | 0.075 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.7 | -44.6 | 177.9 | -171.4 | -99.8 | 0 | 0 | 0 | 112 | D214 A245 D246 L247 L251 V252 | D214-F249 VanDerWaalsContact OD1-CE1 3.22Å; D214-F249 WeakPolarHBondContact OD1-CE1 3.18Å; D214-F249 VanDerWaalsContact OD1-CZ 3.31Å; D214-F249 WeakPolarHBondContact OD1-CZ 3.38Å; A245-F249 VanDerWaalsContact O-CB 3.25Å; A245-F249 WeakPolarHBondContact O-CB 3.37Å; A245-F249 PolarHBondContact O-N 3.42Å; D246-F249 PolarHBondContact O-N 2.87Å; L247-F249 PolarHBondContact O-N 3.02Å; F249-L251 VanDerWaalsContact C-N 3.29Å; F249-L251 PolarHBondContact O-N 3.28Å; F249-V252 PolarHBondContact O-N 2.69Å |
| 250 | F | 92.5 | Very high | 80.1 | Confident | 9 Ų | 9 | 19.9 Ų | 19.9 | 4% | 0.039 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.1 | -34.6 | 175.1 | 178.6 | -100.5 | 0 | 0 | 0 | 113 | Y138 A141 V142 Y215 L217 D246 L247 A248 P253 L282 | Y138-F250 HydrophobicContact CD1-CE1 4.15Å; Y138-F250 AromaticContact CD1-CZ 3.83Å; Y138-F250 HydrophobicContact CD1-CZ 3.83Å; Y138-F250 HydrophobicContact CE1-CZ 4.18Å; A141-F250 HydrophobicContact CB-CE2 3.93Å; A141-F250 HydrophobicContact CB-CZ 3.79Å; V142-F250 HydrophobicContact CG2-CD1 3.87Å; V142-F250 HydrophobicContact CG2-CE1 3.3Å; V142-F250 HydrophobicContact CG2-CZ 4Å; Y215-F250 HydrophobicContact CD1-CB 4.29Å; Y215-F250 AromaticContact CD1-CD2 3.81Å; Y215-F250 HydrophobicContact CD1-CD2 3.81Å; Y215-F250 HydrophobicContact CD1-CG 4.27Å; Y215-F250 HydrophobicContact CE1-CD2 4.08Å; Y215-F250 HydrophobicContact CE1-CE2 4.4Å; L217-F250 HydrophobicContact CD2-CE2 4.27Å; L217-F250 HydrophobicContact CG-CE2 4.04Å; L217-F250 HydrophobicContact CG-CZ 4.47Å; D246-F250 WeakPolarHBondContact O-CB 3.44Å; D246-F250 PolarHBondContact O-N 3.21Å; L247-F250 PolarHBondContact O-N 3.29Å; A248-F250 VanDerWaalsContact C-N 3.33Å; A248-F250 PolarHBondContact O-N 2.98Å; F250-P253 VanDerWaalsContact O-CD 3.25Å; F250-P253 WeakPolarHBondContact O-CD 3.42Å; F250-L282 HydrophobicContact CE1-CD1 4.22Å |
| 251 | L | 89.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -86.5 | -15.6 | -176.7 | -64.7 | 172.3 | 0 | 0 | 0 | 114.5 | L247 A248 F249 P253 L254 Y255 P279 L282 I283 L300 | L247-L251 HydrophobicContact CD1-CD1 4.02Å; L247-L251 HydrophobicContact CD1-CG 4.35Å; L247-L251 HydrophobicContact CG-CD1 3.99Å; L247-L251 WeakPolarHBondContact O-CG 3.32Å; L247-L251 PolarHBondContact O-N 2.88Å; L247-L251 VanDerWaalsContact O-N 3.12Å; A248-L251 PolarHBondContact O-N 2.95Å; F249-L251 VanDerWaalsContact C-N 3.29Å; F249-L251 PolarHBondContact O-N 3.28Å; L251-P253 VanDerWaalsContact C-N 3.28Å; L251-P253 WeakPolarHBondContact O-CD 3.35Å; L251-P253 VanDerWaalsContact O-N 3.13Å; L251-L254 HydrophobicContact CD2-CD1 4.15Å; L251-L254 WeakPolarHBondContact O-CB 3.44Å; L251-L254 PolarHBondContact O-N 3.22Å; L251-Y255 HydrophobicContact CB-CD2 4.26Å; L251-Y255 HydrophobicContact CB-CE2 3.83Å; L251-Y255 WeakPolarHBondContact O-CD2 3.42Å; L251-P279 HydrophobicContact CD2-CB 4.45Å; L251-L282 HydrophobicContact CD2-CB 3.78Å; L251-L282 HydrophobicContact CD2-CD1 3.61Å; L251-L282 HydrophobicContact CD2-CG 4.35Å; L251-I283 HydrophobicContact CD1-CD1 3.98Å; L251-I283 HydrophobicContact CD1-CG1 3.66Å; L251-L300 HydrophobicContact CD1-CD1 4.08Å |
| 252 | V | 85.1 | Confident | 75.8 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -47.6 | -41.1 | -179.2 | -180 | 0 | 0 | 0 | 0 | 114.1 | A248 F249 L254 Y255 C256 F267 L304 L308 | A248-V252 VanDerWaalsContact O-CG2 3.25Å; A248-V252 WeakPolarHBondContact O-CG2 3.44Å; A248-V252 PolarHBondContact O-N 2.68Å; F249-V252 PolarHBondContact O-N 2.69Å; V252-L254 PolarHBondContact O-N 3.02Å; V252-Y255 PolarHBondContact O-N 2.68Å; V252-C256 PolarHBondContact O-N 2.78Å; V252-F267 HydrophobicContact CB-CE1 3.57Å; V252-F267 HydrophobicContact CB-CZ 3.49Å; V252-F267 VanDerWaalsContact CB-CZ 3.49Å; V252-F267 HydrophobicContact CG1-CD1 4.36Å; V252-F267 HydrophobicContact CG1-CE1 3.48Å; V252-F267 VanDerWaalsContact CG1-CE1 3.48Å; V252-F267 HydrophobicContact CG1-CE2 3.75Å; V252-F267 HydrophobicContact CG1-CZ 3.1Å; V252-F267 HydrophobicContact CG2-CZ 4.35Å; V252-L304 HydrophobicContact CG2-CD2 4.08Å; V252-L308 HydrophobicContact CG1-CD2 3.55Å; V252-L308 HydrophobicContact CG1-CG 3.98Å |
| 253 | P | 78.5 | Confident | 73.8 | Confident | 16 Ų | 16 | 33 Ų | 33 | 10% | 0.104 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -55.5 | -29.3 | 179.4 | -18.8 | 28.6 | 0 | 0 | 0 | 112.8 | F250 L251 F267 L269 | F250-P253 VanDerWaalsContact O-CD 3.25Å; F250-P253 WeakPolarHBondContact O-CD 3.42Å; L251-P253 VanDerWaalsContact C-N 3.28Å; L251-P253 WeakPolarHBondContact O-CD 3.35Å; L251-P253 VanDerWaalsContact O-N 3.13Å; P253-F267 HydrophobicContact CB-CD1 3.86Å; P253-F267 HydrophobicContact CB-CE1 4.25Å; P253-F267 HydrophobicContact CG-CD1 3.63Å; P253-F267 HydrophobicContact CG-CE1 3.61Å; P253-L269 HydrophobicContact CB-CD2 3.98Å; P253-L269 WeakPolarHBondContact O-CD1 3.23Å; P253-L269 WeakPolarHBondContact O-CD2 3.01Å |
| 254 | L | 78.1 | Confident | 71.4 | Confident | 21 Ų | 21 | 33.2 Ų | 33.2 | 11% | 0.11 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -86.4 | -6.9 | -176.4 | -52.5 | 177.5 | 0 | 0 | 0 | 114 | L251 V252 I276 P279 L282 | L251-L254 HydrophobicContact CD2-CD1 4.15Å; L251-L254 WeakPolarHBondContact O-CB 3.44Å; L251-L254 PolarHBondContact O-N 3.22Å; V252-L254 PolarHBondContact O-N 3.02Å; L254-I276 HydrophobicContact CD2-CG2 3.74Å; L254-P279 HydrophobicContact CB-CG 3.62Å; L254-P279 HydrophobicContact CD1-CG 3.93Å; L254-P279 HydrophobicContact CG-CG 4.43Å; L254-L282 HydrophobicContact CD1-CD1 3.57Å |
| 255 | Y | 73.1 | Confident | 69.2 | Low | 20 Ų | 20 | 38.6 Ų | 38.6 | 8% | 0.078 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -10.7 | -179.9 | -71.1 | -73.4 | 0 | 0 | 0 | 114.1 | L251 V252 P279 L304 V356 | L251-Y255 HydrophobicContact CB-CD2 4.26Å; L251-Y255 HydrophobicContact CB-CE2 3.83Å; L251-Y255 WeakPolarHBondContact O-CD2 3.42Å; V252-Y255 PolarHBondContact O-N 2.68Å; Y255-P279 HydrophobicContact CE1-CB 4.22Å; Y255-P279 HydrophobicContact CE1-CG 4.16Å; Y255-P279 HydrophobicContact CE2-CB 3.81Å; Y255-P279 HydrophobicContact CE2-CG 4.05Å; Y255-P279 VanDerWaalsContact CZ-CB 3.42Å; Y255-P279 WeakPolarHBondContact OH-CB 3.15Å; Y255-L304 HydrophobicContact CD1-CD1 4.31Å; Y255-L304 HydrophobicContact CD2-CD1 3.78Å; Y255-L304 HydrophobicContact CD2-CD2 3.57Å; Y255-L304 HydrophobicContact CD2-CG 4.35Å; Y255-L304 HydrophobicContact CE1-CD1 4.41Å; Y255-L304 HydrophobicContact CE2-CD1 3.82Å; Y255-L304 HydrophobicContact CE2-CD2 3.89Å; Y255-L304 HydrophobicContact CG-CD1 4.01Å; Y255-L304 HydrophobicContact CG-CD2 4.36Å; Y255-V356 HydrophobicContact CD1-CG1 4.46Å; Y255-V356 HydrophobicContact CE1-CG1 3.27Å; Y255-V356 WeakPolarHBondContact OH-CG1 3.47Å |
| 256 | C | 62.3 | Low | 67.2 | Low | 13 Ų | 13 | 39.4 Ų | 39.4 | 9% | 0.088 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -76.5 | 130.8 | -176.6 | -85.3 | 0 | 0 | 0 | 0 | 111.5 | V252 L269 | V252-C256 PolarHBondContact O-N 2.78Å; C256-L269 HydrophobicContact CB-CD1 3.3Å |
| 257 | P | 51.3 | Low | 65.1 | Low | 51 Ų | 51 | 39.8 Ų | 39.8 | 33% | 0.331 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -58.4 | 140.6 | 179.5 | -23.5 | 30.9 | 0 | 0 | 0 | 113.9 | G259 L260 | P257-G259 PolarHBondContact O-N 3.33Å; P257-L260 HydrophobicContact CG-CD1 4.47Å |
| 258 | T | 46.2 | Very low | 62.7 | Low | 115 Ų | 115 | 43.6 Ų | 43.6 | 71% | 0.706 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 116.3 | 169.4 | 40.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 259 | G | 43.3 | Very low | 60.3 | Low | 77 Ų | 77 | 46.1 Ų | 46.1 | 79% | 0.794 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 128.6 | -12.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | P257 N261 | P257-G259 PolarHBondContact O-N 3.33Å; G259-N261 PolarHBondContact O-N 3.34Å |
| 260 | L | 52 | Low | 58.2 | Low | 44 Ų | 44 | 52.3 Ų | 52.3 | 23% | 0.23 | 29% | 0.286 | C | S | . | . | trans | -79.2 | 98.1 | 170.3 | -86 | 154.4 | 0 | 0 | 0 | 109.8 | P257 I262 P341 A345 | P257-L260 HydrophobicContact CG-CD1 4.47Å; L260-I262 HydrophobicContact CB-CD1 4.17Å; L260-I262 HydrophobicContact CB-CG1 4.12Å; L260-I262 HydrophobicContact CD2-CD1 4.37Å; L260-I262 HydrophobicContact CD2-CG1 4.45Å; L260-I262 PolarHBondContact O-N 2.98Å; L260-P341 HydrophobicContact CD2-CB 3.42Å; L260-P341 VanDerWaalsContact CD2-CB 3.42Å; L260-A345 HydrophobicContact CD1-CB 4.05Å | ||
| 261 | N | 44.9 | Very low | 56.3 | Low | 118 Ų | 118 | 59.4 Ų | 59.4 | 63% | 0.631 | 32% | 0.32 | S | S | * | . | trans | -77.2 | 67.3 | 177.7 | -156.6 | -11.1 | 0 | 0 | 0 | 110.8 | G259 K263 | G259-N261 PolarHBondContact O-N 3.34Å; N261-K263 VanDerWaalsContact C-N 3.31Å; N261-K263 PolarHBondContact O-N 3.11Å; N261-K263 VanDerWaalsContact O-N 3.1Å | ||
| 262 | I | 51.6 | Low | 54.7 | Low | 12 Ų | 12 | 64.2 Ų | 64.2 | 6% | 0.062 | 35% | 0.348 | C | S | . | . | trans | -85.4 | 75.1 | 178.8 | -52 | 172.6 | 0 | 0 | 0 | 108.1 | L260 S264 L342 | L260-I262 HydrophobicContact CB-CD1 4.17Å; L260-I262 HydrophobicContact CB-CG1 4.12Å; L260-I262 HydrophobicContact CD2-CD1 4.37Å; L260-I262 HydrophobicContact CD2-CG1 4.45Å; L260-I262 PolarHBondContact O-N 2.98Å; I262-S264 PolarHBondContact O-N 3.47Å; I262-L342 HydrophobicContact CD1-CD2 3.65Å; I262-L342 HydrophobicContact CD1-CG 4.22Å | ||
| 263 | K | 48.2 | Very low | 53.4 | Low | 160 Ų | 160 | 67.3 Ų | 67.3 | 70% | 0.696 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 6.3 | 173.5 | -79.4 | -174.5 | 175.1 | -177 | 0 | 114.7 | N261 | N261-K263 VanDerWaalsContact C-N 3.31Å; N261-K263 PolarHBondContact O-N 3.11Å; N261-K263 VanDerWaalsContact O-N 3.1Å |
| 264 | S | 44.2 | Very low | 52.5 | Low | 6 Ų | 6 | 70 Ų | 70 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 107.3 | -167.6 | -103.9 | 0 | 0 | 0 | 0 | 110.3 | I262 I266 Y335 N338 | I262-S264 PolarHBondContact O-N 3.47Å; S264-I266 PolarHBondContact O-N 3.36Å; S264-Y335 WeakPolarHBondContact OG-CD1 3.4Å; S264-Y335 WeakPolarHBondContact OG-CE1 3.37Å; S264-Y335 WeakPolarHBondContact OG-CE2 3.33Å; S264-Y335 PolarHBondContact OG-OH 2.99Å; S264-N338 VanDerWaalsContact CB-ND2 3.34Å; S264-N338 WeakPolarHBondContact CB-ND2 3.45Å; S264-N338 PolarHBondContact OG-ND2 3.33Å |
| 265 | F | 46.1 | Very low | 52.2 | Low | 120 Ų | 120 | 70 Ų | 70 | 53% | 0.526 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | -11.5 | 157 | -108.4 | -92.2 | 0 | 0 | 0 | 120.9 | R216 Y335 | R216-F265 VanDerWaalsContact CZ-O 3.27Å; R216-F265 PolarHBondContact NH1-O 3.08Å; R216-F265 PolarHBondContact NH2-O 2.96Å; F265-Y335 WeakPolarHBondContact CD2-OH 3.35Å |
| 266 | I | 50.7 | Low | 52.7 | Low | 27 Ų | 27 | 70.1 Ų | 70.1 | 14% | 0.138 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.3 | -34.1 | -167.3 | -46.1 | -176.9 | 0 | 0 | 0 | 111.5 | F124 S264 A311 | F124-I266 WeakPolarHBondContact CE2-O 3.41Å; S264-I266 PolarHBondContact O-N 3.36Å; I266-A311 HydrophobicContact CD1-CB 3.68Å |
| 267 | F | 50.9 | Low | 53.6 | Low | 9 Ų | 9 | 69.9 Ų | 69.9 | 4% | 0.039 | 39% | 0.392 | C | S | . | . | trans | -147.2 | 96.3 | -174.8 | -56.6 | -62.9 | 0 | 0 | 0 | 112.9 | V252 P253 L269 L308 | V252-F267 HydrophobicContact CB-CE1 3.57Å; V252-F267 HydrophobicContact CB-CZ 3.49Å; V252-F267 VanDerWaalsContact CB-CZ 3.49Å; V252-F267 HydrophobicContact CG1-CD1 4.36Å; V252-F267 HydrophobicContact CG1-CE1 3.48Å; V252-F267 VanDerWaalsContact CG1-CE1 3.48Å; V252-F267 HydrophobicContact CG1-CE2 3.75Å; V252-F267 HydrophobicContact CG1-CZ 3.1Å; V252-F267 HydrophobicContact CG2-CZ 4.35Å; P253-F267 HydrophobicContact CB-CD1 3.86Å; P253-F267 HydrophobicContact CB-CE1 4.25Å; P253-F267 HydrophobicContact CG-CD1 3.63Å; P253-F267 HydrophobicContact CG-CE1 3.61Å; F267-L269 HydrophobicContact CB-CD1 3.9Å; F267-L269 HydrophobicContact CB-CG 4.03Å; F267-L269 HydrophobicContact CG-CD1 4.43Å; F267-L269 PolarHBondContact O-N 3.39Å; F267-L308 HydrophobicContact CE2-CD2 4.11Å | ||
| 268 | N | 43.4 | Very low | 55 | Low | 81 Ų | 81 | 68.1 Ų | 68.1 | 43% | 0.433 | 38% | 0.381 | S | S | . | . | trans | -85.3 | 93.9 | 164.5 | -155.5 | 22 | 0 | 0 | 0 | 107.8 | ||||
| 269 | L | 43 | Very low | 56.8 | Low | 53 Ų | 53 | 63.6 Ų | 63.6 | 28% | 0.277 | 35% | 0.353 | S | S | . | . | trans | -113.9 | 99.2 | -176 | -67.8 | 171.8 | 0 | 0 | 0 | 110.6 | P253 C256 F267 | P253-L269 HydrophobicContact CB-CD2 3.98Å; P253-L269 WeakPolarHBondContact O-CD1 3.23Å; P253-L269 WeakPolarHBondContact O-CD2 3.01Å; C256-L269 HydrophobicContact CB-CD1 3.3Å; F267-L269 HydrophobicContact CB-CD1 3.9Å; F267-L269 HydrophobicContact CB-CG 4.03Å; F267-L269 HydrophobicContact CG-CD1 4.43Å; F267-L269 PolarHBondContact O-N 3.39Å | ||
| 270 | Q | 48 | Very low | 58.4 | Low | 147 Ų | 147 | 63.1 Ų | 63.1 | 69% | 0.687 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -108 | 172.5 | 150.8 | -71.8 | -176.9 | -20.9 | 0 | 0 | 108.3 | Q125 | Q125-Q270 PolarHBondContact NE2-O 3.19Š|
| 271 | E | 51.4 | Low | 59.8 | Low | 158 Ų | 158 | 61.8 Ų | 61.8 | 74% | 0.738 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -33.1 | 134.4 | -172.9 | -65.1 | -179 | 162.8 | 0 | 0 | 114.4 | Q125 E273 | Q125-E271 PolarHBondContact NE2-O 3.42Å; E271-E273 PolarHBondContact O-N 3.28Å |
| 272 | V | 55.9 | Low | 61.8 | Low | 100 Ų | 100 | 56.1 Ų | 56.1 | 61% | 0.606 | 30% | 0.301 | S | S | * | . | trans | -62.3 | 108.4 | -179.2 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | I276 | V272-I276 HydrophobicContact CG1-CB 4.33Š| ||
| 273 | E | 58.6 | Low | 63.4 | Low | 66 Ų | 66 | 56.9 Ų | 56.9 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | trans | -67.2 | 145.5 | 177.5 | -75.7 | -158.2 | -135.8 | 0 | 0 | 111.5 | R134 E271 G275 I276 | R134-E273 IonicContact CZ-OE2 3.78Å; R134-E273 IonicContact NH1-OE1 3.59Å; R134-E273 IonicContact NH1-OE2 3.43Å; R134-E273 PolarHBondContact NH1-OE2 2.72Å; R134-E273 IonicContact NH2-OE2 3.66Å; R134-E273 PolarHBondContact NH2-OE2 3.5Å; E271-E273 PolarHBondContact O-N 3.28Å; E273-G275 PolarHBondContact O-N 3.1Å; E273-I276 PolarHBondContact O-N 3.24Å | ||
| 274 | A | 59.8 | Low | 65.1 | Low | 72 Ų | 72 | 51 Ų | 51 | 60% | 0.595 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 128.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R134 | R134-A274 PolarHBondContact NE-O 2.92Š|
| 275 | G | 70.8 | Confident | 67 | Low | 22 Ų | 22 | 51.6 Ų | 51.6 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 103.6 | -0.4 | 176 | 0 | 0 | 0 | 0 | 0 | 116.5 | R134 T135 E273 | R134-G275 WeakPolarHBondContact CB-O 3.36Å; T135-G275 WeakPolarHBondContact CA-O 3.47Å; T135-G275 PolarHBondContact N-O 3.02Å; T135-G275 PolarHBondContact OG1-O 2.88Å; E273-G275 PolarHBondContact O-N 3.1Å |
| 276 | I | 83.6 | Confident | 69.3 | Low | 22 Ų | 22 | 45.9 Ų | 45.9 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 123.9 | 164.4 | -60.7 | 177.1 | 0 | 0 | 0 | 107.9 | Y138 L254 V272 E273 | Y138-I276 HydrophobicContact CD2-CG2 4.21Å; Y138-I276 HydrophobicContact CE1-CG2 4.24Å; Y138-I276 HydrophobicContact CE2-CD1 4.4Å; Y138-I276 HydrophobicContact CE2-CG1 4.12Å; Y138-I276 HydrophobicContact CE2-CG2 3.87Å; L254-I276 HydrophobicContact CD2-CG2 3.74Å; V272-I276 HydrophobicContact CG1-CB 4.33Å; E273-I276 PolarHBondContact O-N 3.24Å |
| 277 | P | 82.2 | Confident | 71.1 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 150.6 | -178.8 | -22.1 | 34.6 | 0 | 0 | 0 | 111.7 | T135 D281 L282 | T135-P277 HydrophobicContact CG2-CG 4.05Å; P277-D281 HydrophobicContact CB-CB 4.09Å; P277-L282 HydrophobicContact CB-CD2 3.92Å; P277-L282 HydrophobicContact CB-CG 4.06Å; P277-L282 HydrophobicContact CG-CD2 4.12Å |
| 278 | S | 80.6 | Confident | 72.9 | Confident | 13 Ų | 13 | 51.3 Ų | 51.3 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 155.7 | 176.6 | 75.4 | 0 | 0 | 0 | 0 | 110.4 | S280 D281 L282 | S278-S280 PolarHBondContact O-N 3.48Å; S278-D281 WeakPolarHBondContact CB-OD2 3.21Å; S278-D281 PolarHBondContact N-OD2 3.25Å; S278-D281 WeakPolarHBondContact O-CB 3.47Å; S278-D281 PolarHBondContact O-N 3.28Å; S278-D281 PolarHBondContact OG-N 2.94Å; S278-D281 PolarHBondContact OG-OD2 2.9Å; S278-L282 PolarHBondContact O-N 3.35Å; S278-L282 VanDerWaalsContact O-N 3.15Å |
| 279 | P | 83.2 | Confident | 75.1 | Confident | 20 Ų | 20 | 50 Ų | 50 | 13% | 0.13 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.9 | -35 | 174.1 | -26.7 | 34.5 | 0 | 0 | 0 | 113.4 | L251 L254 Y255 L282 I283 | L251-P279 HydrophobicContact CD2-CB 4.45Å; L254-P279 HydrophobicContact CB-CG 3.62Å; L254-P279 HydrophobicContact CD1-CG 3.93Å; L254-P279 HydrophobicContact CG-CG 4.43Å; Y255-P279 HydrophobicContact CE1-CB 4.22Å; Y255-P279 HydrophobicContact CE1-CG 4.16Å; Y255-P279 HydrophobicContact CE2-CB 3.81Å; Y255-P279 HydrophobicContact CE2-CG 4.05Å; Y255-P279 VanDerWaalsContact CZ-CB 3.42Å; Y255-P279 WeakPolarHBondContact OH-CB 3.15Å; P279-L282 PolarHBondContact O-N 3.36Å; P279-I283 WeakPolarHBondContact O-CB 3.28Å; P279-I283 WeakPolarHBondContact O-CD1 3.31Å; P279-I283 WeakPolarHBondContact O-CG1 3.39Å; P279-I283 PolarHBondContact O-N 2.91Å |
| 280 | S | 77.8 | Confident | 77.3 | Confident | 67 Ų | 67 | 49.4 Ų | 49.4 | 47% | 0.469 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 175.8 | 180 | 0 | 0 | 0 | 0 | 112 | S278 I283 S284 | S278-S280 PolarHBondContact O-N 3.48Å; S280-I283 PolarHBondContact O-N 3.29Å; S280-S284 WeakPolarHBondContact O-CB 3.41Å; S280-S284 PolarHBondContact O-N 3.31Å |
| 281 | D | 80.6 | Confident | 79.2 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 9% | 0.086 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 178 | -59.5 | -44.4 | 0 | 0 | 0 | 111.5 | P277 S278 S284 I285 | P277-D281 HydrophobicContact CB-CB 4.09Å; S278-D281 WeakPolarHBondContact CB-OD2 3.21Å; S278-D281 PolarHBondContact N-OD2 3.25Å; S278-D281 WeakPolarHBondContact O-CB 3.47Å; S278-D281 PolarHBondContact O-N 3.28Å; S278-D281 PolarHBondContact OG-N 2.94Å; S278-D281 PolarHBondContact OG-OD2 2.9Å; D281-S284 WeakPolarHBondContact O-CB 3.29Å; D281-S284 PolarHBondContact O-N 3Å; D281-S284 VanDerWaalsContact O-N 3.17Å; D281-I285 VanDerWaalsContact O-CG1 3.29Å; D281-I285 WeakPolarHBondContact O-CG1 3.38Å; D281-I285 PolarHBondContact O-N 2.87Å |
| 282 | L | 86.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 178.2 | -64.3 | 174.7 | 0 | 0 | 0 | 111.1 | Y138 V142 F250 L251 L254 P277 S278 P279 S284 I285 Y286 | Y138-L282 HydrophobicContact CD1-CD1 4Å; V142-L282 WeakPolarHBondContact CG1-O 3.34Å; V142-L282 HydrophobicContact CG2-CB 4.07Å; V142-L282 HydrophobicContact CG2-CD2 3.76Å; V142-L282 HydrophobicContact CG2-CG 4.34Å; F250-L282 HydrophobicContact CE1-CD1 4.22Å; L251-L282 HydrophobicContact CD2-CB 3.78Å; L251-L282 HydrophobicContact CD2-CD1 3.61Å; L251-L282 HydrophobicContact CD2-CG 4.35Å; L254-L282 HydrophobicContact CD1-CD1 3.57Å; P277-L282 HydrophobicContact CB-CD2 3.92Å; P277-L282 HydrophobicContact CB-CG 4.06Å; P277-L282 HydrophobicContact CG-CD2 4.12Å; S278-L282 PolarHBondContact O-N 3.35Å; S278-L282 VanDerWaalsContact O-N 3.15Å; P279-L282 PolarHBondContact O-N 3.36Å; L282-S284 VanDerWaalsContact C-N 3.3Å; L282-S284 PolarHBondContact O-N 3.48Å; L282-I285 PolarHBondContact O-N 3.38Å; L282-Y286 VanDerWaalsContact O-CB 3.31Å; L282-Y286 WeakPolarHBondContact O-CB 3.45Å; L282-Y286 PolarHBondContact O-N 3.08Å |
| 283 | I | 87.1 | Confident | 81.4 | Confident | 27 Ų | 27 | 39.9 Ų | 39.9 | 14% | 0.138 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.8 | -41.4 | 173.2 | -67.9 | 162.9 | 0 | 0 | 0 | 110.6 | L247 L251 P279 S280 Y286 C287 L297 L300 | L247-I283 HydrophobicContact CD2-CG1 4.4Å; L251-I283 HydrophobicContact CD1-CD1 3.98Å; L251-I283 HydrophobicContact CD1-CG1 3.66Å; P279-I283 WeakPolarHBondContact O-CB 3.28Å; P279-I283 WeakPolarHBondContact O-CD1 3.31Å; P279-I283 WeakPolarHBondContact O-CG1 3.39Å; P279-I283 PolarHBondContact O-N 2.91Å; S280-I283 PolarHBondContact O-N 3.29Å; I283-Y286 WeakPolarHBondContact O-CB 3.29Å; I283-Y286 PolarHBondContact O-N 3.42Å; I283-C287 WeakPolarHBondContact O-CB 3.23Å; I283-C287 PolarHBondContact O-N 2.91Å; I283-C287 PolarHBondContact O-SG 2.91Å; I283-L297 HydrophobicContact CG2-CD1 3.83Å; I283-L300 HydrophobicContact CD1-CD1 3.6Å; I283-L300 HydrophobicContact CG1-CD1 4.11Å |
| 284 | S | 82 | Confident | 81.5 | Confident | 36 Ų | 36 | 39.8 Ų | 39.8 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 178.6 | -167.2 | 0 | 0 | 0 | 0 | 112.2 | S280 D281 L282 Y286 C287 R288 | S280-S284 WeakPolarHBondContact O-CB 3.41Å; S280-S284 PolarHBondContact O-N 3.31Å; D281-S284 WeakPolarHBondContact O-CB 3.29Å; D281-S284 PolarHBondContact O-N 3Å; D281-S284 VanDerWaalsContact O-N 3.17Å; L282-S284 VanDerWaalsContact C-N 3.3Å; L282-S284 PolarHBondContact O-N 3.48Å; S284-Y286 VanDerWaalsContact C-N 3.34Å; S284-Y286 PolarHBondContact O-N 3.37Å; S284-C287 PolarHBondContact O-N 3.01Å; S284-R288 WeakPolarHBondContact O-CB 3.44Å; S284-R288 PolarHBondContact O-N 3.3Å |
| 285 | I | 85.9 | Confident | 81.3 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -47 | 174.8 | -68.1 | 160.5 | 0 | 0 | 0 | 110.2 | T139 V142 E143 D281 L282 R288 C289 | T139-I285 HydrophobicContact CG2-CD1 4.13Å; T139-I285 HydrophobicContact CG2-CG2 4.37Å; V142-I285 HydrophobicContact CG1-CB 4.33Å; V142-I285 HydrophobicContact CG1-CG2 4.09Å; E143-I285 HydrophobicContact CG-CG2 3.72Å; D281-I285 VanDerWaalsContact O-CG1 3.29Å; D281-I285 WeakPolarHBondContact O-CG1 3.38Å; D281-I285 PolarHBondContact O-N 2.87Å; L282-I285 PolarHBondContact O-N 3.38Å; I285-R288 PolarHBondContact O-N 2.93Å; I285-C289 WeakPolarHBondContact O-CB 3.41Å; I285-C289 PolarHBondContact O-N 3.37Å; I285-C289 PolarHBondContact O-SG 3.49Å |
| 286 | Y | 93.7 | Very high | 80.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.4 | -52.5 | 177.1 | 176.9 | -94.9 | 0 | 0 | 0 | 111.5 | V142 L145 A146 H149 P243 L247 L282 I283 S284 R288 C289 R290 I292 | V142-Y286 HydrophobicContact CG1-CD2 4.39Å; L145-Y286 HydrophobicContact CD2-CE2 4.47Å; L145-Y286 HydrophobicContact CG-CE2 4.23Å; A146-Y286 HydrophobicContact CB-CD2 3.75Å; A146-Y286 HydrophobicContact CB-CE2 4.07Å; A146-Y286 HydrophobicContact CB-CG 4.47Å; H149-Y286 AromaticContact ND1-CE2 3.4Å; H149-Y286 WeakPolarHBondContact ND1-CE2 3.49Å; H149-Y286 AromaticContact ND1-CZ 3.53Å; H149-Y286 PolarHBondContact ND1-OH 3.17Å; P243-Y286 WeakPolarHBondContact CB-OH 3.4Å; L247-Y286 HydrophobicContact CD1-CD1 4.5Å; L247-Y286 HydrophobicContact CD1-CD2 4.06Å; L247-Y286 HydrophobicContact CD1-CG 3.99Å; L247-Y286 HydrophobicContact CD2-CD1 3.65Å; L247-Y286 HydrophobicContact CD2-CE1 3.87Å; L247-Y286 HydrophobicContact CD2-CG 3.99Å; L282-Y286 VanDerWaalsContact O-CB 3.31Å; L282-Y286 WeakPolarHBondContact O-CB 3.45Å; L282-Y286 PolarHBondContact O-N 3.08Å; I283-Y286 WeakPolarHBondContact O-CB 3.29Å; I283-Y286 PolarHBondContact O-N 3.42Å; S284-Y286 VanDerWaalsContact C-N 3.34Å; S284-Y286 PolarHBondContact O-N 3.37Å; Y286-R288 PolarHBondContact O-N 3.08Å; Y286-C289 PolarHBondContact O-N 3.17Å; Y286-R290 HydrophobicContact CD1-CG 4.17Å; Y286-R290 HydrophobicContact CD2-CG 4.48Å; Y286-R290 HydrophobicContact CE1-CG 3.76Å; Y286-R290 HydrophobicContact CE2-CG 4.09Å; Y286-R290 WeakPolarHBondContact O-CB 3.37Å; Y286-R290 VanDerWaalsContact O-CG 3.32Å; Y286-R290 WeakPolarHBondContact O-CG 3.31Å; Y286-R290 PolarHBondContact O-N 3.19Å; Y286-R290 PolarHBondContact OH-NH1 2.99Å; Y286-I292 HydrophobicContact CE1-CD1 4.35Å |
| 287 | C | 88.3 | Confident | 80.3 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 179.8 | -73.5 | 0 | 0 | 0 | 0 | 112.2 | I283 S284 C289 R290 G291 I292 L297 | I283-C287 WeakPolarHBondContact O-CB 3.23Å; I283-C287 PolarHBondContact O-N 2.91Å; I283-C287 PolarHBondContact O-SG 2.91Å; S284-C287 PolarHBondContact O-N 3.01Å; C287-C289 PolarHBondContact O-N 3.42Å; C287-R290 CarbonylContact O-C 3.55Å; C287-R290 PolarHBondContact O-N 3.28Å; C287-G291 PolarHBondContact O-N 2.82Å; C287-I292 CarbonylContact C-O 3.55Å; C287-I292 HydrophobicContact CB-CG1 3.96Å; C287-I292 WeakPolarHBondContact CB-O 3.49Å; C287-I292 PolarHBondContact O-N 3.42Å; C287-L297 WeakPolarHBondContact SG-CD1 3.4Å |
| 288 | R | 88.4 | Confident | 80.1 | Confident | 147 Ų | 147 | 48.6 Ų | 48.6 | 56% | 0.555 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.9 | -45.2 | 176 | -179.2 | -178.7 | 63.6 | -165.4 | -0.6 | 111.9 | S284 I285 Y286 R290 G291 | S284-R288 WeakPolarHBondContact O-CB 3.44Å; S284-R288 PolarHBondContact O-N 3.3Å; I285-R288 PolarHBondContact O-N 2.93Å; Y286-R288 PolarHBondContact O-N 3.08Å; R288-R290 VanDerWaalsContact C-N 3.34Å; R288-G291 PolarHBondContact O-N 3.05Å |
| 289 | C | 89.9 | Confident | 80.1 | Confident | 53 Ų | 53 | 51.6 Ų | 51.6 | 36% | 0.358 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.5 | -32.5 | 179.9 | -65 | 0 | 0 | 0 | 0 | 112.6 | A146 I285 Y286 C287 G291 | A146-C289 HydrophobicContact CB-CB 3.38Å; I285-C289 WeakPolarHBondContact O-CB 3.41Å; I285-C289 PolarHBondContact O-N 3.37Å; I285-C289 PolarHBondContact O-SG 3.49Å; Y286-C289 PolarHBondContact O-N 3.17Å; C287-C289 PolarHBondContact O-N 3.42Å; C289-G291 VanDerWaalsContact C-N 3.29Å |
| 290 | R | 89.9 | Confident | 80.4 | Confident | 42 Ų | 42 | 51 Ų | 51 | 16% | 0.158 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -76.1 | -13.2 | 173 | -69.7 | -65.2 | -55 | -81.1 | -5.1 | 113.4 | A146 H149 S150 E207 Y286 C287 R288 I292 | A146-R290 HydrophobicContact CB-CG 4.1Å; A146-R290 VanDerWaalsContact O-CD 3.29Å; A146-R290 WeakPolarHBondContact O-CD 3.31Å; H149-R290 VanDerWaalsContact CB-NH1 3.35Å; H149-R290 VanDerWaalsContact O-CZ 3.29Å; H149-R290 PolarHBondContact O-NE 3.12Å; H149-R290 PolarHBondContact O-NH2 3.42Å; S150-R290 VanDerWaalsContact OG-CD 3.26Å; S150-R290 WeakPolarHBondContact OG-CD 3.49Å; E207-R290 IonicContact OE1-CZ 3.19Å; E207-R290 IonicContact OE1-NH1 3.94Å; E207-R290 IonicContact OE1-NH2 2.99Å; E207-R290 PolarHBondContact OE1-NH2 2.81Å; Y286-R290 HydrophobicContact CD1-CG 4.17Å; Y286-R290 HydrophobicContact CD2-CG 4.48Å; Y286-R290 HydrophobicContact CE1-CG 3.76Å; Y286-R290 HydrophobicContact CE2-CG 4.09Å; Y286-R290 WeakPolarHBondContact O-CB 3.37Å; Y286-R290 VanDerWaalsContact O-CG 3.32Å; Y286-R290 WeakPolarHBondContact O-CG 3.31Å; Y286-R290 PolarHBondContact O-N 3.19Å; Y286-R290 PolarHBondContact OH-NH1 2.99Å; C287-R290 CarbonylContact O-C 3.55Å; C287-R290 PolarHBondContact O-N 3.28Å; R288-R290 VanDerWaalsContact C-N 3.34Å; R290-I292 VanDerWaalsContact C-N 3.3Å; R290-I292 HydrophobicContact CB-CD1 3.93Å; R290-I292 HydrophobicContact CB-CG1 3.85Å; R290-I292 HydrophobicContact CB-CG2 4.23Å; R290-I292 HydrophobicContact CG-CD1 4.32Å; R290-I292 PolarHBondContact O-N 2.81Å |
| 291 | G | 87.5 | Confident | 80.9 | Confident | 68 Ų | 68 | 48.7 Ų | 48.7 | 70% | 0.701 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 25.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | C287 R288 C289 | C287-G291 PolarHBondContact O-N 2.82Å; R288-G291 PolarHBondContact O-N 3.05Å; C289-G291 VanDerWaalsContact C-N 3.29Å |
| 292 | I | 82.1 | Confident | 81.4 | Confident | 51 Ų | 51 | 48.5 Ų | 48.5 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | trans | -108.7 | 142.6 | 180 | 65.1 | -174.8 | 0 | 0 | 0 | 110.9 | Y286 C287 R290 S294 L297 | Y286-I292 HydrophobicContact CE1-CD1 4.35Å; C287-I292 CarbonylContact C-O 3.55Å; C287-I292 HydrophobicContact CB-CG1 3.96Å; C287-I292 WeakPolarHBondContact CB-O 3.49Å; C287-I292 PolarHBondContact O-N 3.42Å; R290-I292 VanDerWaalsContact C-N 3.3Å; R290-I292 HydrophobicContact CB-CD1 3.93Å; R290-I292 HydrophobicContact CB-CG1 3.85Å; R290-I292 HydrophobicContact CB-CG2 4.23Å; R290-I292 HydrophobicContact CG-CD1 4.32Å; R290-I292 PolarHBondContact O-N 2.81Å; I292-S294 PolarHBondContact O-N 3.19Å; I292-L297 HydrophobicContact CD1-CD2 3.87Å | ||
| 293 | P | 71.9 | Confident | 81.7 | Confident | 85 Ų | 85 | 48.7 Ų | 48.7 | 55% | 0.552 | 30% | 0.295 | S | S | * | . | trans | -65.6 | 134.3 | 174.7 | -16.3 | 29.3 | 0 | 0 | 0 | 111 | V295 S296 | P293-V295 PolarHBondContact O-N 2.87Å; P293-S296 VanDerWaalsContact O-CB 3.29Å; P293-S296 WeakPolarHBondContact O-CB 3.32Å; P293-S296 PolarHBondContact O-N 3.36Å | ||
| 294 | S | 60 | Low | 81.9 | Confident | 65 Ų | 65 | 47.5 Ų | 47.5 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -61.6 | -29.9 | -179.7 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | I292 S296 L297 | I292-S294 PolarHBondContact O-N 3.19Å; S294-S296 PolarHBondContact O-N 3.21Å; S294-L297 PolarHBondContact O-N 3.39Å |
| 295 | V | 55.3 | Low | 82.4 | Confident | 137 Ų | 137 | 45.8 Ų | 45.8 | 83% | 0.83 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -69.4 | -14.4 | 176.4 | -172.5 | 0 | 0 | 0 | 0 | 112.2 | P293 | P293-V295 PolarHBondContact O-N 2.87Š|
| 296 | S | 59.4 | Low | 82.8 | Confident | 81 Ų | 81 | 45.3 Ų | 45.3 | 57% | 0.566 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -87 | -8.8 | -178.9 | -56.7 | 0 | 0 | 0 | 0 | 114 | P293 S294 | P293-S296 VanDerWaalsContact O-CB 3.29Å; P293-S296 WeakPolarHBondContact O-CB 3.32Å; P293-S296 PolarHBondContact O-N 3.36Å; S294-S296 PolarHBondContact O-N 3.21Å |
| 297 | L | 74.3 | Confident | 82.7 | Confident | 34 Ų | 34 | 45.8 Ų | 45.8 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -78 | 132.7 | 176.8 | -68.5 | -168.9 | 0 | 0 | 0 | 111.3 | L244 L247 I283 C287 I292 S294 | L244-L297 HydrophobicContact CD1-CD2 4.47Å; L244-L297 HydrophobicContact CD2-CD1 4.14Å; L244-L297 HydrophobicContact CD2-CD2 3.71Å; L247-L297 HydrophobicContact CD2-CD1 4.37Å; I283-L297 HydrophobicContact CG2-CD1 3.83Å; C287-L297 WeakPolarHBondContact SG-CD1 3.4Å; I292-L297 HydrophobicContact CD1-CD2 3.87Å; S294-L297 PolarHBondContact O-N 3.39Å |
| 298 | P | 78.1 | Confident | 82.8 | Confident | 57 Ų | 57 | 45.7 Ų | 45.7 | 37% | 0.37 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 158.7 | 171.3 | 29.8 | -34.7 | 0 | 0 | 0 | 110.6 | L244 L300 Y303 | L244-P298 HydrophobicContact CD1-CG 3.56Å; P298-L300 PolarHBondContact O-N 2.97Å; P298-Y303 HydrophobicContact CG-CE2 4.39Å |
| 299 | P | 80.8 | Confident | 83 | Confident | 76 Ų | 76 | 38.7 Ų | 38.7 | 49% | 0.494 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 128.9 | 173.4 | -26.1 | 34.4 | 0 | 0 | 0 | 111.9 | N301 | P299-N301 PolarHBondContact O-N 3.29Š|
| 300 | L | 88.2 | Confident | 83 | Confident | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -4.4 | -176.5 | -66.6 | -176.9 | 0 | 0 | 0 | 113.7 | L244 L251 I283 P298 F302 Y303 L304 | L244-L300 HydrophobicContact CB-CD2 4.33Å; L244-L300 HydrophobicContact CD2-CD2 4.34Å; L251-L300 HydrophobicContact CD1-CD1 4.08Å; I283-L300 HydrophobicContact CD1-CD1 3.6Å; I283-L300 HydrophobicContact CG1-CD1 4.11Å; P298-L300 PolarHBondContact O-N 2.97Å; L300-F302 VanDerWaalsContact C-N 3.26Å; L300-F302 PolarHBondContact O-N 3.23Å; L300-Y303 HydrophobicContact CD2-CD2 4.22Å; L300-Y303 PolarHBondContact O-N 2.95Å; L300-L304 HydrophobicContact CB-CD1 4.19Å; L300-L304 HydrophobicContact CB-CG 4.29Å; L300-L304 WeakPolarHBondContact O-CG 3.38Å; L300-L304 PolarHBondContact O-N 2.88Å |
| 301 | N | 88.7 | Confident | 82.9 | Confident | 18 Ų | 18 | 35 Ų | 35 | 10% | 0.096 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -51.7 | -43.8 | -175.5 | -59.2 | 55.1 | 0 | 0 | 0 | 112.4 | P299 A305 L349 S352 V356 | P299-N301 PolarHBondContact O-N 3.29Å; N301-A305 VanDerWaalsContact O-CB 3.26Å; N301-A305 WeakPolarHBondContact O-CB 3.45Å; N301-A305 PolarHBondContact O-N 3.48Å; N301-L349 PolarHBondContact ND2-O 2.84Å; N301-S352 PolarHBondContact ND2-O 3.17Å; N301-S352 PolarHBondContact ND2-OG 3.18Å; N301-V356 WeakPolarHBondContact OD1-CG2 2.98Å |
| 302 | F | 92.5 | Very high | 83 | Confident | 12 Ų | 12 | 31.8 Ų | 31.8 | 5% | 0.053 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.6 | -48.8 | 175.5 | 174.3 | -91.7 | 0 | 0 | 0 | 111.9 | C168 V172 W196 L197 N200 L201 P202 L300 A305 L306 | C168-F302 HydrophobicContact CB-CE1 3.74Å; C168-F302 HydrophobicContact CB-CZ 4.01Å; V172-F302 HydrophobicContact CG2-CE2 4.48Å; V172-F302 HydrophobicContact CG2-CZ 3.99Å; W196-F302 HydrophobicContact CZ3-CD2 4.07Å; L197-F302 HydrophobicContact CB-CE2 4.37Å; L197-F302 HydrophobicContact CD2-CD2 3.92Å; L197-F302 HydrophobicContact CD2-CE2 3.7Å; L197-F302 HydrophobicContact CD2-CZ 4.29Å; L197-F302 WeakPolarHBondContact O-CE2 3.44Å; N200-F302 WeakPolarHBondContact O-CD2 3.49Å; N200-F302 WeakPolarHBondContact O-CE2 3.32Å; L201-F302 HydrophobicContact CD2-CE2 4.06Å; L201-F302 HydrophobicContact CD2-CZ 3.78Å; P202-F302 HydrophobicContact CG-CD1 3.56Å; P202-F302 HydrophobicContact CG-CE1 3.87Å; P202-F302 HydrophobicContact CG-CG 4.04Å; L300-F302 VanDerWaalsContact C-N 3.26Å; L300-F302 PolarHBondContact O-N 3.23Å; F302-A305 PolarHBondContact O-N 3.36Å; F302-L306 HydrophobicContact CE1-CD2 4.03Å; F302-L306 HydrophobicContact CZ-CD2 4.43Å; F302-L306 WeakPolarHBondContact O-CB 3.49Å; F302-L306 PolarHBondContact O-N 3.31Å |
| 303 | Y | 92.6 | Very high | 83.4 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.5 | -35.2 | -176.8 | -62.5 | -84.8 | 0 | 0 | 0 | 112.6 | C168 P202 S242 L244 A245 P298 L300 S307 | C168-Y303 VanDerWaalsContact SG-CE1 3.57Å; P202-Y303 HydrophobicContact CG-CE2 4.11Å; S242-Y303 PolarHBondContact OG-OH 3.41Å; L244-Y303 HydrophobicContact CB-CD1 3.93Å; L244-Y303 HydrophobicContact CB-CD2 4.02Å; L244-Y303 HydrophobicContact CB-CE1 3.74Å; L244-Y303 HydrophobicContact CB-CE2 3.84Å; L244-Y303 HydrophobicContact CB-CG 4.06Å; L244-Y303 HydrophobicContact CD1-CD2 4.47Å; L244-Y303 HydrophobicContact CD1-CE2 3.74Å; L244-Y303 HydrophobicContact CG-CE2 4.45Å; A245-Y303 HydrophobicContact CB-CD1 4.3Å; P298-Y303 HydrophobicContact CG-CE2 4.39Å; L300-Y303 HydrophobicContact CD2-CD2 4.22Å; L300-Y303 PolarHBondContact O-N 2.95Å; Y303-S307 WeakPolarHBondContact O-CB 3.48Å; Y303-S307 PolarHBondContact O-N 3.29Å; Y303-S307 PolarHBondContact O-OG 3.33Å |
| 304 | L | 91.1 | Very high | 84 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.9 | -46.5 | 173.3 | -69.8 | 169.6 | 0 | 0 | 0 | 110.9 | A248 V252 Y255 L300 L306 S307 L308 L349 | A248-L304 HydrophobicContact CB-CD2 4.09Å; A248-L304 HydrophobicContact CB-CG 4.29Å; A248-L304 WeakPolarHBondContact O-CD2 3.45Å; V252-L304 HydrophobicContact CG2-CD2 4.08Å; Y255-L304 HydrophobicContact CD1-CD1 4.31Å; Y255-L304 HydrophobicContact CD2-CD1 3.78Å; Y255-L304 HydrophobicContact CD2-CD2 3.57Å; Y255-L304 HydrophobicContact CD2-CG 4.35Å; Y255-L304 HydrophobicContact CE1-CD1 4.41Å; Y255-L304 HydrophobicContact CE2-CD1 3.82Å; Y255-L304 HydrophobicContact CE2-CD2 3.89Å; Y255-L304 HydrophobicContact CG-CD1 4.01Å; Y255-L304 HydrophobicContact CG-CD2 4.36Å; L300-L304 HydrophobicContact CB-CD1 4.19Å; L300-L304 HydrophobicContact CB-CG 4.29Å; L300-L304 WeakPolarHBondContact O-CG 3.38Å; L300-L304 PolarHBondContact O-N 2.88Å; L304-L306 VanDerWaalsContact C-N 3.35Å; L304-L306 PolarHBondContact O-N 3Å; L304-S307 WeakPolarHBondContact O-CB 3.19Å; L304-S307 PolarHBondContact O-N 3.02Å; L304-L308 PolarHBondContact O-N 3.22Å; L304-L308 VanDerWaalsContact O-N 3.08Å; L304-L349 HydrophobicContact CB-CD1 4.36Å |
| 305 | A | 91.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.2 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L193 W196 L197 N301 F302 S307 L308 F309 A346 A350 | L193-A305 HydrophobicContact CD1-CB 4.38Å; W196-A305 HydrophobicContact CZ3-CB 4.28Å; L197-A305 HydrophobicContact CD2-CB 4.13Å; N301-A305 VanDerWaalsContact O-CB 3.26Å; N301-A305 WeakPolarHBondContact O-CB 3.45Å; N301-A305 PolarHBondContact O-N 3.48Å; F302-A305 PolarHBondContact O-N 3.36Å; A305-S307 VanDerWaalsContact C-N 3.32Å; A305-S307 PolarHBondContact O-N 2.99Å; A305-L308 PolarHBondContact O-N 3.25Å; A305-F309 WeakPolarHBondContact O-CB 3.45Å; A305-F309 PolarHBondContact O-N 2.89Å; A305-A346 HydrophobicContact CB-CB 4.43Å; A305-A350 HydrophobicContact CB-CB 3.99Å |
| 306 | L | 93.6 | Very high | 86.9 | Confident | 10 Ų | 10 | 18.9 Ų | 18.9 | 5% | 0.052 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.1 | -39.7 | 174.6 | 179.3 | 59.9 | 0 | 0 | 0 | 112.1 | Q171 V172 L197 F302 L304 F309 K310 | Q171-L306 HydrophobicContact CB-CD1 4.27Å; Q171-L306 HydrophobicContact CB-CD2 4Å; V172-L306 HydrophobicContact CG2-CD1 3.86Å; L197-L306 HydrophobicContact CD1-CD1 4.36Å; L197-L306 HydrophobicContact CD2-CB 4.15Å; F302-L306 HydrophobicContact CE1-CD2 4.03Å; F302-L306 HydrophobicContact CZ-CD2 4.43Å; F302-L306 WeakPolarHBondContact O-CB 3.49Å; F302-L306 PolarHBondContact O-N 3.31Å; L304-L306 VanDerWaalsContact C-N 3.35Å; L304-L306 PolarHBondContact O-N 3Å; L306-F309 HydrophobicContact CD1-CD1 4.43Å; L306-F309 PolarHBondContact O-N 3.46Å; L306-K310 WeakPolarHBondContact O-CB 3.24Å; L306-K310 PolarHBondContact O-N 3.33Å |
| 307 | S | 92.2 | Very high | 88.2 | Confident | 9 Ų | 9 | 15.9 Ų | 15.9 | 6% | 0.063 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 178.8 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | Y303 L304 A305 K310 A311 | Y303-S307 WeakPolarHBondContact O-CB 3.48Å; Y303-S307 PolarHBondContact O-N 3.29Å; Y303-S307 PolarHBondContact O-OG 3.33Å; L304-S307 WeakPolarHBondContact O-CB 3.19Å; L304-S307 PolarHBondContact O-N 3.02Å; A305-S307 VanDerWaalsContact C-N 3.32Å; A305-S307 PolarHBondContact O-N 2.99Å; S307-K310 WeakPolarHBondContact O-CB 3.48Å; S307-K310 PolarHBondContact O-N 2.8Å; S307-A311 PolarHBondContact O-N 3.24Å; S307-A311 VanDerWaalsContact O-N 3.08Å |
| 308 | L | 90.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.1 | -35.2 | 174.5 | -72.5 | 175.3 | 0 | 0 | 0 | 112.5 | V252 F267 L304 A305 A311 A312 L342 A345 A346 L349 | V252-L308 HydrophobicContact CG1-CD2 3.55Å; V252-L308 HydrophobicContact CG1-CG 3.98Å; F267-L308 HydrophobicContact CE2-CD2 4.11Å; L304-L308 PolarHBondContact O-N 3.22Å; L304-L308 VanDerWaalsContact O-N 3.08Å; A305-L308 PolarHBondContact O-N 3.25Å; L308-A311 WeakPolarHBondContact O-CB 3.25Å; L308-A311 PolarHBondContact O-N 3.11Å; L308-A312 PolarHBondContact O-N 3.36Å; L308-L342 HydrophobicContact CD2-CD2 3.8Å; L308-A345 HydrophobicContact CD1-CB 4.14Å; L308-A346 HydrophobicContact CB-CB 3.66Å; L308-A346 HydrophobicContact CD1-CB 4.14Å; L308-L349 HydrophobicContact CD1-CD1 3.66Å |
| 309 | F | 93 | Very high | 89 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 173.2 | 177.4 | -130.5 | 0 | 0 | 0 | 111.6 | W175 V190 L193 C194 L197 A305 L306 A311 A312 A313 | W175-F309 HydrophobicContact CB-CD1 3.9Å; W175-F309 HydrophobicContact CB-CE1 3.46Å; W175-F309 VanDerWaalsContact CB-CE1 3.46Å; W175-F309 HydrophobicContact CB-CZ 4.15Å; V190-F309 HydrophobicContact CG1-CE2 3.9Å; L193-F309 HydrophobicContact CD2-CB 3.74Å; L193-F309 HydrophobicContact CD2-CD2 3.84Å; L193-F309 HydrophobicContact CD2-CG 4.1Å; L193-F309 HydrophobicContact CG-CB 4.31Å; L193-F309 HydrophobicContact CG-CD2 4.36Å; L193-F309 HydrophobicContact CG-CG 4.47Å; C194-F309 WeakPolarHBondContact SG-CE2 3.41Å; C194-F309 WeakPolarHBondContact SG-CZ 3.29Å; L197-F309 HydrophobicContact CD1-CB 3.79Å; L197-F309 HydrophobicContact CD1-CD1 3.6Å; L197-F309 HydrophobicContact CD1-CE1 4.41Å; L197-F309 HydrophobicContact CD1-CG 3.82Å; A305-F309 WeakPolarHBondContact O-CB 3.45Å; A305-F309 PolarHBondContact O-N 2.89Å; L306-F309 HydrophobicContact CD1-CD1 4.43Å; L306-F309 PolarHBondContact O-N 3.46Å; F309-A311 VanDerWaalsContact C-N 3.33Å; F309-A311 PolarHBondContact O-N 3.21Å; F309-A312 WeakPolarHBondContact O-CB 3.29Å; F309-A312 PolarHBondContact O-N 3.48Å; F309-A312 VanDerWaalsContact O-N 3.15Å; F309-A313 PolarHBondContact O-N 2.66Å |
| 310 | K | 90.8 | Very high | 89.3 | Confident | 18 Ų | 18 | 12.6 Ų | 12.6 | 8% | 0.078 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -56.6 | -45.9 | 173.1 | 169.7 | 174.4 | 176.1 | -176 | 0 | 111.6 | W175 G213 L306 S307 A312 A313 I314 | W175-K310 HydrophobicContact CD2-CB 4.07Å; W175-K310 HydrophobicContact CD2-CG 3.93Å; W175-K310 HydrophobicContact CE3-CG 4.18Å; W175-K310 HydrophobicContact CG-CB 4.35Å; W175-K310 HydrophobicContact CH2-CD 4.1Å; W175-K310 HydrophobicContact CH2-CG 3.78Å; W175-K310 HydrophobicContact CZ2-CB 4.45Å; W175-K310 HydrophobicContact CZ2-CD 3.44Å; W175-K310 VanDerWaalsContact CZ2-CD 3.44Å; W175-K310 HydrophobicContact CZ2-CG 3.51Å; W175-K310 HydrophobicContact CZ3-CG 4.09Å; G213-K310 PolarHBondContact O-NZ 3.07Å; L306-K310 WeakPolarHBondContact O-CB 3.24Å; L306-K310 PolarHBondContact O-N 3.33Å; S307-K310 WeakPolarHBondContact O-CB 3.48Å; S307-K310 PolarHBondContact O-N 2.8Å; K310-A312 VanDerWaalsContact C-N 3.32Å; K310-A312 PolarHBondContact O-N 3.29Å; K310-A313 PolarHBondContact O-N 3.27Å; K310-I314 HydrophobicContact CG-CD1 3.89Å; K310-I314 VanDerWaalsContact O-CG1 3.32Å; K310-I314 WeakPolarHBondContact O-CG1 3.41Å; K310-I314 PolarHBondContact O-N 3.31Å |
| 311 | A | 87.4 | Confident | 88.9 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.008 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.5 | -39.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | I266 S307 L308 F309 S315 L342 | I266-A311 HydrophobicContact CD1-CB 3.68Å; S307-A311 PolarHBondContact O-N 3.24Å; S307-A311 VanDerWaalsContact O-N 3.08Å; L308-A311 WeakPolarHBondContact O-CB 3.25Å; L308-A311 PolarHBondContact O-N 3.11Å; F309-A311 VanDerWaalsContact C-N 3.33Å; F309-A311 PolarHBondContact O-N 3.21Å; A311-S315 WeakPolarHBondContact O-CB 3.21Å; A311-S315 PolarHBondContact O-N 3.23Å; A311-S315 PolarHBondContact O-OG 2.61Å; A311-L342 HydrophobicContact CB-CD1 4.09Å; A311-L342 HydrophobicContact CB-CD2 4.29Å |
| 312 | A | 89.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.6 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L308 F309 K310 S315 Q316 V339 L342 | L308-A312 PolarHBondContact O-N 3.36Å; F309-A312 WeakPolarHBondContact O-CB 3.29Å; F309-A312 PolarHBondContact O-N 3.48Å; F309-A312 VanDerWaalsContact O-N 3.15Å; K310-A312 VanDerWaalsContact C-N 3.32Å; K310-A312 PolarHBondContact O-N 3.29Å; A312-S315 PolarHBondContact O-N 3.39Å; A312-Q316 WeakPolarHBondContact O-CB 3.44Å; A312-Q316 PolarHBondContact O-N 3.46Å; A312-V339 HydrophobicContact CB-CG1 4.44Å; A312-L342 HydrophobicContact CB-CB 3.88Å; A312-L342 HydrophobicContact CB-CD1 4.36Å |
| 313 | A | 89.9 | Confident | 88.3 | Confident | 4 Ų | 4 | 26.1 Ų | 26.1 | 3% | 0.033 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W175 F309 K310 Q316 G317 | W175-A313 HydrophobicContact CE3-CB 3.79Å; W175-A313 HydrophobicContact CZ3-CB 4.5Å; F309-A313 PolarHBondContact O-N 2.66Å; K310-A313 PolarHBondContact O-N 3.27Å; A313-Q316 PolarHBondContact O-N 3.17Å; A313-G317 PolarHBondContact O-N 3.09Å |
| 314 | I | 85.6 | Confident | 87.7 | Confident | 57 Ų | 57 | 32 Ų | 32 | 29% | 0.292 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 174.6 | -67.9 | 167.9 | 0 | 0 | 0 | 110.6 | W175 K310 Q316 G317 I318 | W175-I314 HydrophobicContact CH2-CD1 4.02Å; W175-I314 HydrophobicContact CH2-CG1 3.97Å; W175-I314 HydrophobicContact CZ3-CD1 4.17Å; W175-I314 HydrophobicContact CZ3-CG1 3.64Å; K310-I314 HydrophobicContact CG-CD1 3.89Å; K310-I314 VanDerWaalsContact O-CG1 3.32Å; K310-I314 WeakPolarHBondContact O-CG1 3.41Å; K310-I314 PolarHBondContact O-N 3.31Å; I314-Q316 VanDerWaalsContact C-N 3.31Å; I314-Q316 PolarHBondContact O-N 3.36Å; I314-G317 PolarHBondContact O-N 3.21Å; I314-G317 VanDerWaalsContact O-N 3.16Å; I314-I318 HydrophobicContact CG2-CD1 3.93Å; I314-I318 WeakPolarHBondContact O-CG1 3.22Å; I314-I318 PolarHBondContact O-N 3.2Å |
| 315 | S | 86 | Confident | 86.9 | Confident | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -42.4 | 177.5 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | A311 A312 I318 Y319 | A311-S315 WeakPolarHBondContact O-CB 3.21Å; A311-S315 PolarHBondContact O-N 3.23Å; A311-S315 PolarHBondContact O-OG 2.61Å; A312-S315 PolarHBondContact O-N 3.39Å; S315-I318 PolarHBondContact O-N 2.86Å; S315-Y319 WeakPolarHBondContact O-CB 3.23Å; S315-Y319 PolarHBondContact O-N 2.73Å |
| 316 | Q | 89.6 | Confident | 85.8 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -42.5 | 175.3 | -174.5 | 53.9 | 58 | 0 | 0 | 111.7 | Y179 S182 H184 A312 A313 I314 Y319 A320 V339 | Y179-Q316 HydrophobicContact CD2-CB 3.9Å; Y179-Q316 HydrophobicContact CD2-CG 3.8Å; Y179-Q316 HydrophobicContact CE2-CB 4.06Å; Y179-Q316 HydrophobicContact CE2-CG 3.75Å; S182-Q316 PolarHBondContact O-NE2 2.93Å; S182-Q316 WeakPolarHBondContact OG-CG 3.34Å; H184-Q316 PolarHBondContact CE1-NE2 2.9Å; H184-Q316 PolarHBondContact ND1-NE2 2.7Å; A312-Q316 WeakPolarHBondContact O-CB 3.44Å; A312-Q316 PolarHBondContact O-N 3.46Å; A313-Q316 PolarHBondContact O-N 3.17Å; I314-Q316 VanDerWaalsContact C-N 3.31Å; I314-Q316 PolarHBondContact O-N 3.36Å; Q316-Y319 PolarHBondContact O-N 3Å; Q316-A320 WeakPolarHBondContact O-CB 3.02Å; Q316-A320 PolarHBondContact O-N 3.16Å; Q316-V339 HydrophobicContact CB-CG1 4.32Å; Q316-V339 HydrophobicContact CB-CG2 3.95Å |
| 317 | G | 86.3 | Confident | 84.6 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 19% | 0.186 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.3 | -33.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A313 I314 R321 | A313-G317 PolarHBondContact O-N 3.09Å; I314-G317 PolarHBondContact O-N 3.21Å; I314-G317 VanDerWaalsContact O-N 3.16Å; G317-R321 WeakPolarHBondContact O-CG 3.48Å; G317-R321 PolarHBondContact O-N 3.29Å; G317-R321 PolarHBondContact O-NE 3.07Å |
| 318 | I | 82.6 | Confident | 83.1 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67 | -47.9 | 172.1 | -68.2 | 166.8 | 0 | 0 | 0 | 109.9 | I314 S315 A320 R321 Y322 A332 Y335 | I314-I318 HydrophobicContact CG2-CD1 3.93Å; I314-I318 WeakPolarHBondContact O-CG1 3.22Å; I314-I318 PolarHBondContact O-N 3.2Å; S315-I318 PolarHBondContact O-N 2.86Å; I318-A320 PolarHBondContact O-N 3.32Å; I318-R321 PolarHBondContact O-N 3.11Å; I318-Y322 PolarHBondContact O-N 3.05Å; I318-A332 HydrophobicContact CG2-CB 3.76Å; I318-Y335 HydrophobicContact CB-CD1 4.31Å; I318-Y335 HydrophobicContact CB-CG 4.17Å; I318-Y335 HydrophobicContact CD1-CD1 3.71Å; I318-Y335 HydrophobicContact CD1-CE1 3.66Å; I318-Y335 HydrophobicContact CD1-CG 4.37Å; I318-Y335 HydrophobicContact CG2-CD1 4.21Å; I318-Y335 HydrophobicContact CG2-CD2 3.77Å; I318-Y335 HydrophobicContact CG2-CE2 4.23Å; I318-Y335 HydrophobicContact CG2-CG 3.77Å |
| 319 | Y | 86.6 | Confident | 81.9 | Confident | 51 Ų | 51 | 45 Ų | 45 | 20% | 0.2 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 179.6 | -175 | -111.3 | 0 | 0 | 0 | 112.6 | H184 S315 Q316 R321 Y322 L323 A333 G336 | H184-Y319 AromaticContact CE1-CD1 3.51Å; H184-Y319 AromaticContact CE1-CE1 3.4Å; H184-Y319 VanDerWaalsContact CE1-CE1 3.4Å; H184-Y319 WeakPolarHBondContact CE1-CE1 3.49Å; H184-Y319 AromaticContact ND1-CD1 3.94Å; H184-Y319 AromaticContact NE2-CE1 3.45Å; H184-Y319 WeakPolarHBondContact NE2-CE1 3.46Å; S315-Y319 WeakPolarHBondContact O-CB 3.23Å; S315-Y319 PolarHBondContact O-N 2.73Å; Q316-Y319 PolarHBondContact O-N 3Å; Y319-R321 VanDerWaalsContact C-N 3.33Å; Y319-R321 PolarHBondContact O-N 3.15Å; Y319-Y322 HydrophobicContact CD2-CD1 4.14Å; Y319-Y322 AromaticContact CE2-CD1 3.98Å; Y319-Y322 HydrophobicContact CE2-CD1 3.98Å; Y319-Y322 HydrophobicContact CE2-CE1 4.38Å; Y319-Y322 WeakPolarHBondContact O-CB 3.45Å; Y319-Y322 PolarHBondContact O-N 3.1Å; Y319-Y322 VanDerWaalsContact O-N 3.11Å; Y319-L323 HydrophobicContact CD1-CD1 4.1Å; Y319-L323 HydrophobicContact CD1-CG 4.37Å; Y319-L323 HydrophobicContact CE1-CD1 3.73Å; Y319-L323 HydrophobicContact CE1-CD2 4.23Å; Y319-L323 HydrophobicContact CE1-CG 4.03Å; Y319-L323 WeakPolarHBondContact O-CG 3.39Å; Y319-L323 PolarHBondContact O-N 3.22Å; Y319-A333 WeakPolarHBondContact CD2-O 3.29Å; Y319-A333 VanDerWaalsContact CE2-O 3.32Å; Y319-A333 WeakPolarHBondContact CE2-O 3.47Å; Y319-G336 VanDerWaalsContact CG-CA 3.48Å |
| 320 | A | 86.1 | Confident | 80.6 | Confident | 18 Ų | 18 | 51.8 Ų | 51.8 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q316 I318 Y322 L323 L324 | Q316-A320 WeakPolarHBondContact O-CB 3.02Å; Q316-A320 PolarHBondContact O-N 3.16Å; I318-A320 PolarHBondContact O-N 3.32Å; A320-Y322 VanDerWaalsContact C-N 3.3Å; A320-Y322 PolarHBondContact O-N 3.42Å; A320-L323 PolarHBondContact O-N 3.46Å; A320-L324 WeakPolarHBondContact O-CG 3.23Å; A320-L324 PolarHBondContact O-N 2.99Å; A320-L324 VanDerWaalsContact O-N 3.12Å |
| 321 | R | 81.1 | Confident | 79.7 | Confident | 121 Ų | 121 | 53.1 Ų | 53.1 | 46% | 0.457 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.8 | -33.8 | 174.1 | -76 | 179.6 | -74.1 | 176.3 | -3.1 | 112.5 | G317 I318 Y319 L324 G325 N326 A327 | G317-R321 WeakPolarHBondContact O-CG 3.48Å; G317-R321 PolarHBondContact O-N 3.29Å; G317-R321 PolarHBondContact O-NE 3.07Å; I318-R321 PolarHBondContact O-N 3.11Å; Y319-R321 VanDerWaalsContact C-N 3.33Å; Y319-R321 PolarHBondContact O-N 3.15Å; R321-L324 CarbonylContact O-C 3.52Å; R321-L324 PolarHBondContact O-N 2.66Å; R321-G325 PolarHBondContact O-N 2.92Å; R321-N326 PolarHBondContact O-N 3.33Å; R321-A327 HydrophobicContact CB-CB 4.42Å; R321-A327 PolarHBondContact O-N 3.31Å |
| 322 | Y | 83.1 | Confident | 79.1 | Confident | 112 Ų | 112 | 53.1 Ų | 53.1 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 172.8 | 166.1 | -99.9 | 0 | 0 | 0 | 111.7 | I318 Y319 A320 L324 G325 A332 A333 | I318-Y322 PolarHBondContact O-N 3.05Å; Y319-Y322 HydrophobicContact CD2-CD1 4.14Å; Y319-Y322 AromaticContact CE2-CD1 3.98Å; Y319-Y322 HydrophobicContact CE2-CD1 3.98Å; Y319-Y322 HydrophobicContact CE2-CE1 4.38Å; Y319-Y322 WeakPolarHBondContact O-CB 3.45Å; Y319-Y322 PolarHBondContact O-N 3.1Å; Y319-Y322 VanDerWaalsContact O-N 3.11Å; A320-Y322 VanDerWaalsContact C-N 3.3Å; A320-Y322 PolarHBondContact O-N 3.42Å; Y322-L324 PolarHBondContact O-N 3.3Å; Y322-G325 PolarHBondContact O-N 2.85Å; Y322-A332 HydrophobicContact CD2-CB 4.48Å; Y322-A332 HydrophobicContact CG-CB 4.49Å; Y322-A333 HydrophobicContact CD1-CB 3.95Å; Y322-A333 HydrophobicContact CD2-CB 4.04Å; Y322-A333 HydrophobicContact CE1-CB 3.58Å; Y322-A333 HydrophobicContact CE2-CB 3.69Å; Y322-A333 HydrophobicContact CG-CB 4.16Å; Y322-A333 VanDerWaalsContact CZ-CB 3.44Å |
| 323 | L | 84.3 | Confident | 78.7 | Confident | 89 Ų | 89 | 54.7 Ų | 54.7 | 47% | 0.466 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.5 | -29.9 | 175.5 | -66.4 | 178.3 | 0 | 0 | 0 | 112.7 | H184 Y319 A320 | H184-L323 HydrophobicContact CB-CD1 4.14Å; Y319-L323 HydrophobicContact CD1-CD1 4.1Å; Y319-L323 HydrophobicContact CD1-CG 4.37Å; Y319-L323 HydrophobicContact CE1-CD1 3.73Å; Y319-L323 HydrophobicContact CE1-CD2 4.23Å; Y319-L323 HydrophobicContact CE1-CG 4.03Å; Y319-L323 WeakPolarHBondContact O-CG 3.39Å; Y319-L323 PolarHBondContact O-N 3.22Å; A320-L323 PolarHBondContact O-N 3.46Å |
| 324 | L | 80.4 | Confident | 78.3 | Confident | 127 Ų | 127 | 59.6 Ų | 59.6 | 67% | 0.665 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -0.5 | 175.8 | -64.7 | 172.1 | 0 | 0 | 0 | 113.9 | A320 R321 Y322 N326 | A320-L324 WeakPolarHBondContact O-CG 3.23Å; A320-L324 PolarHBondContact O-N 2.99Å; A320-L324 VanDerWaalsContact O-N 3.12Å; R321-L324 CarbonylContact O-C 3.52Å; R321-L324 PolarHBondContact O-N 2.66Å; Y322-L324 PolarHBondContact O-N 3.3Å; L324-N326 VanDerWaalsContact C-N 3.28Å; L324-N326 PolarHBondContact O-N 3.38Å |
| 325 | G | 75.3 | Confident | 78 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 10.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R321 Y322 | R321-G325 PolarHBondContact O-N 2.92Å; Y322-G325 PolarHBondContact O-N 2.85Å |
| 326 | N | 68.1 | Low | 77.8 | Confident | 120 Ų | 120 | 57.6 Ų | 57.6 | 64% | 0.642 | 33% | 0.332 | S | S | * | . | trans | -113.2 | 18 | -170.9 | -68.6 | -18.1 | 0 | 0 | 0 | 113.5 | R321 L324 | R321-N326 PolarHBondContact O-N 3.33Å; L324-N326 VanDerWaalsContact C-N 3.28Å; L324-N326 PolarHBondContact O-N 3.38Å | ||
| 327 | A | 67.8 | Low | 77.6 | Confident | 33 Ų | 33 | 64.8 Ų | 64.8 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | trans | -78 | 135.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R321 A332 | R321-A327 HydrophobicContact CB-CB 4.42Å; R321-A327 PolarHBondContact O-N 3.31Å; A327-A332 HydrophobicContact CB-CB 3.39Å | ||
| 328 | S | 61.9 | Low | 77.4 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 36% | 0.357 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -85.6 | -13.9 | 179.3 | -43.7 | 0 | 0 | 0 | 0 | 114 | ||
| 329 | A | 63.8 | Low | 77.6 | Confident | 24 Ų | 24 | 63.5 Ų | 63.5 | 20% | 0.198 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -104.3 | 133.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111 | D331 A332 | A329-D331 WeakPolarHBondContact CB-OD1 3.39Å; A329-D331 PolarHBondContact O-N 3.49Å; A329-A332 HydrophobicContact CB-CB 4.41Å; A329-A332 WeakPolarHBondContact O-CB 3.47Å; A329-A332 PolarHBondContact O-N 3.32Å |
| 330 | P | 66.2 | Low | 77.8 | Confident | 142 Ų | 142 | 64 Ų | 64 | 92% | 0.922 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -22.2 | -176.8 | 27.3 | -34.2 | 0 | 0 | 0 | 113.3 | ||
| 331 | D | 71.9 | Confident | 77.7 | Confident | 47 Ų | 47 | 65.3 Ų | 65.3 | 25% | 0.251 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 7.8 | 178.7 | 63.3 | -29.8 | 0 | 0 | 0 | 113.1 | A329 A333 Q334 Y335 | A329-D331 WeakPolarHBondContact CB-OD1 3.39Å; A329-D331 PolarHBondContact O-N 3.49Å; D331-A333 PolarHBondContact O-N 3.14Å; D331-Q334 WeakPolarHBondContact O-CB 3.1Å; D331-Q334 PolarHBondContact O-N 3.45Å; D331-Y335 HydrophobicContact CB-CE2 4.49Å; D331-Y335 WeakPolarHBondContact O-CD2 3.29Å; D331-Y335 WeakPolarHBondContact OD2-CE2 3.3Å; D331-Y335 PolarHBondContact OD2-OH 3.32Å |
| 332 | A | 75.3 | Confident | 78 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.008 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -55.6 | -28 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I318 Y322 A327 A329 Q334 Y335 | I318-A332 HydrophobicContact CG2-CB 3.76Å; Y322-A332 HydrophobicContact CD2-CB 4.48Å; Y322-A332 HydrophobicContact CG-CB 4.49Å; A327-A332 HydrophobicContact CB-CB 3.39Å; A329-A332 HydrophobicContact CB-CB 4.41Å; A329-A332 WeakPolarHBondContact O-CB 3.47Å; A329-A332 PolarHBondContact O-N 3.32Å; A332-Q334 VanDerWaalsContact C-N 3.25Å; A332-Q334 PolarHBondContact O-N 2.93Å; A332-Y335 PolarHBondContact O-N 3.4Å |
| 333 | A | 81.1 | Confident | 78.3 | Confident | 33 Ų | 33 | 54.3 Ų | 54.3 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -61.3 | -31.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y319 Y322 D331 Y335 | Y319-A333 WeakPolarHBondContact CD2-O 3.29Å; Y319-A333 VanDerWaalsContact CE2-O 3.32Å; Y319-A333 WeakPolarHBondContact CE2-O 3.47Å; Y322-A333 HydrophobicContact CD1-CB 3.95Å; Y322-A333 HydrophobicContact CD2-CB 4.04Å; Y322-A333 HydrophobicContact CE1-CB 3.58Å; Y322-A333 HydrophobicContact CE2-CB 3.69Å; Y322-A333 HydrophobicContact CG-CB 4.16Å; Y322-A333 VanDerWaalsContact CZ-CB 3.44Å; D331-A333 PolarHBondContact O-N 3.14Å; A333-Y335 VanDerWaalsContact C-N 3.33Å; A333-Y335 PolarHBondContact O-N 3.43Å |
| 334 | Q | 81 | Confident | 78.5 | Confident | 107 Ų | 107 | 55.4 Ų | 55.4 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -76.5 | -22.3 | -174.4 | -60.5 | 178.8 | 9.5 | 0 | 0 | 112.2 | D331 A332 G336 Q337 | D331-Q334 WeakPolarHBondContact O-CB 3.1Å; D331-Q334 PolarHBondContact O-N 3.45Å; A332-Q334 VanDerWaalsContact C-N 3.25Å; A332-Q334 PolarHBondContact O-N 2.93Å; Q334-G336 VanDerWaalsContact C-N 3.26Å; Q334-G336 PolarHBondContact O-N 3.27Å; Q334-Q337 WeakPolarHBondContact O-CB 3.49Å; Q334-Q337 PolarHBondContact O-N 2.98Å; Q334-Q337 VanDerWaalsContact O-N 3.1Å |
| 335 | Y | 79.6 | Confident | 78.6 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 3% | 0.027 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -65.1 | -26.9 | -175.1 | -73.5 | -103.9 | 0 | 0 | 0 | 113.5 | S264 F265 I318 D331 A332 A333 Q337 N338 | S264-Y335 WeakPolarHBondContact OG-CD1 3.4Å; S264-Y335 WeakPolarHBondContact OG-CE1 3.37Å; S264-Y335 WeakPolarHBondContact OG-CE2 3.33Å; S264-Y335 PolarHBondContact OG-OH 2.99Å; F265-Y335 WeakPolarHBondContact CD2-OH 3.35Å; I318-Y335 HydrophobicContact CB-CD1 4.31Å; I318-Y335 HydrophobicContact CB-CG 4.17Å; I318-Y335 HydrophobicContact CD1-CD1 3.71Å; I318-Y335 HydrophobicContact CD1-CE1 3.66Å; I318-Y335 HydrophobicContact CD1-CG 4.37Å; I318-Y335 HydrophobicContact CG2-CD1 4.21Å; I318-Y335 HydrophobicContact CG2-CD2 3.77Å; I318-Y335 HydrophobicContact CG2-CE2 4.23Å; I318-Y335 HydrophobicContact CG2-CG 3.77Å; D331-Y335 HydrophobicContact CB-CE2 4.49Å; D331-Y335 WeakPolarHBondContact O-CD2 3.29Å; D331-Y335 WeakPolarHBondContact OD2-CE2 3.3Å; D331-Y335 PolarHBondContact OD2-OH 3.32Å; A332-Y335 PolarHBondContact O-N 3.4Å; A333-Y335 VanDerWaalsContact C-N 3.33Å; A333-Y335 PolarHBondContact O-N 3.43Å; Y335-Q337 PolarHBondContact O-N 3.22Å; Y335-N338 PolarHBondContact O-N 3.11Å; Y335-N338 VanDerWaalsContact O-N 3.1Å |
| 336 | G | 82.2 | Confident | 79.3 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -60.9 | -28 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y319 Q334 N338 | Y319-G336 VanDerWaalsContact CG-CA 3.48Å; Q334-G336 VanDerWaalsContact C-N 3.26Å; Q334-G336 PolarHBondContact O-N 3.27Å; G336-N338 VanDerWaalsContact C-N 3.28Å; G336-N338 PolarHBondContact O-N 2.78Å |
| 337 | Q | 84.3 | Confident | 80.3 | Confident | 152 Ų | 152 | 41.3 Ų | 41.3 | 71% | 0.71 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -75.8 | -16.6 | 179.6 | -58.3 | 177.1 | 9.7 | 0 | 0 | 112.5 | Q334 Y335 P341 | Q334-Q337 WeakPolarHBondContact O-CB 3.49Å; Q334-Q337 PolarHBondContact O-N 2.98Å; Q334-Q337 VanDerWaalsContact O-N 3.1Å; Y335-Q337 PolarHBondContact O-N 3.22Å; Q337-P341 VanDerWaalsContact O-CD 3.24Å; Q337-P341 WeakPolarHBondContact O-CD 3.2Å; Q337-P341 WeakPolarHBondContact O-CG 3.4Å |
| 338 | N | 82.1 | Confident | 81.1 | Confident | 21 Ų | 21 | 45.7 Ų | 45.7 | 11% | 0.112 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -21.7 | -176.3 | -61.4 | -28.2 | 0 | 0 | 0 | 113.5 | S264 Y335 G336 P341 L342 | S264-N338 VanDerWaalsContact CB-ND2 3.34Å; S264-N338 WeakPolarHBondContact CB-ND2 3.45Å; S264-N338 PolarHBondContact OG-ND2 3.33Å; Y335-N338 PolarHBondContact O-N 3.11Å; Y335-N338 VanDerWaalsContact O-N 3.1Å; G336-N338 VanDerWaalsContact C-N 3.28Å; G336-N338 PolarHBondContact O-N 2.78Å; N338-P341 WeakPolarHBondContact O-CD 3.18Å; N338-L342 HydrophobicContact CB-CD1 4.15Å; N338-L342 VanDerWaalsContact O-CB 3.31Å; N338-L342 WeakPolarHBondContact O-CB 3.46Å; N338-L342 WeakPolarHBondContact O-CD1 3.47Å; N338-L342 VanDerWaalsContact O-CG 3.24Å; N338-L342 WeakPolarHBondContact O-CG 3.41Å; N338-L342 PolarHBondContact O-N 3.47Å |
| 339 | V | 88.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -51.7 | -169.9 | -178.6 | 0 | 0 | 0 | 0 | 112.2 | Y179 I187 V190 A312 Q316 A343 | Y179-V339 HydrophobicContact CE2-CG1 3.84Å; I187-V339 HydrophobicContact CD1-CB 4.16Å; I187-V339 HydrophobicContact CD1-CG1 3.69Å; V190-V339 HydrophobicContact CG2-CG1 4.11Å; A312-V339 HydrophobicContact CB-CG1 4.44Å; Q316-V339 HydrophobicContact CB-CG1 4.32Å; Q316-V339 HydrophobicContact CB-CG2 3.95Å; V339-A343 PolarHBondContact O-N 3.29Å; V339-A343 VanDerWaalsContact O-N 3.11Å |
| 340 | E | 89.1 | Confident | 83.1 | Confident | 60 Ų | 60 | 43.8 Ų | 43.8 | 28% | 0.28 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.1 | -44.5 | -178.8 | 179.8 | -178.9 | 172.3 | 0 | 0 | 113 | R185 I187 L342 A343 K344 | R185-E340 IonicContact NH2-OE2 2.96Å; R185-E340 PolarHBondContact NH2-OE2 3.46Å; I187-E340 HydrophobicContact CG2-CB 3.79Å; I187-E340 HydrophobicContact CG2-CG 3.84Å; E340-L342 PolarHBondContact O-N 2.79Å; E340-A343 PolarHBondContact O-N 2.87Å; E340-K344 HydrophobicContact CG-CD 4.37Å; E340-K344 WeakPolarHBondContact O-CG 3.49Å; E340-K344 PolarHBondContact O-N 3.18Å; E340-K344 VanDerWaalsContact OE1-CE 3.25Å; E340-K344 WeakPolarHBondContact OE1-CE 3.23Å; E340-K344 IonicContact OE1-NZ 3.87Å; E340-K344 PolarHBondContact OE1-NZ 2.98Å |
| 341 | P | 85.3 | Confident | 83.6 | Confident | 46 Ų | 46 | 42.1 Ų | 42.1 | 30% | 0.299 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59 | -41.9 | 173.7 | -24.9 | 32.5 | 0 | 0 | 0 | 113.9 | L260 Q337 N338 K344 A345 | L260-P341 HydrophobicContact CD2-CB 3.42Å; L260-P341 VanDerWaalsContact CD2-CB 3.42Å; Q337-P341 VanDerWaalsContact O-CD 3.24Å; Q337-P341 WeakPolarHBondContact O-CD 3.2Å; Q337-P341 WeakPolarHBondContact O-CG 3.4Å; N338-P341 WeakPolarHBondContact O-CD 3.18Å; P341-K344 PolarHBondContact O-N 3Å; P341-A345 WeakPolarHBondContact O-CB 3.43Å; P341-A345 PolarHBondContact O-N 2.76Å |
| 342 | L | 86 | Confident | 83.6 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 175.7 | -78.3 | 167.9 | 0 | 0 | 0 | 111.7 | I262 L308 A311 A312 N338 E340 A345 A346 | I262-L342 HydrophobicContact CD1-CD2 3.65Å; I262-L342 HydrophobicContact CD1-CG 4.22Å; L308-L342 HydrophobicContact CD2-CD2 3.8Å; A311-L342 HydrophobicContact CB-CD1 4.09Å; A311-L342 HydrophobicContact CB-CD2 4.29Å; A312-L342 HydrophobicContact CB-CB 3.88Å; A312-L342 HydrophobicContact CB-CD1 4.36Å; N338-L342 HydrophobicContact CB-CD1 4.15Å; N338-L342 VanDerWaalsContact O-CB 3.31Å; N338-L342 WeakPolarHBondContact O-CB 3.46Å; N338-L342 WeakPolarHBondContact O-CD1 3.47Å; N338-L342 VanDerWaalsContact O-CG 3.24Å; N338-L342 WeakPolarHBondContact O-CG 3.41Å; N338-L342 PolarHBondContact O-N 3.47Å; E340-L342 PolarHBondContact O-N 2.79Å; L342-A345 PolarHBondContact O-N 3.35Å; L342-A346 WeakPolarHBondContact O-CB 3.37Å; L342-A346 PolarHBondContact O-N 3.41Å |
| 343 | A | 90.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A189 V190 L193 V339 E340 A346 L347 | A189-A343 HydrophobicContact CB-CB 3.99Å; V190-A343 HydrophobicContact CB-CB 4.37Å; V190-A343 HydrophobicContact CG2-CB 3.55Å; L193-A343 HydrophobicContact CD2-CB 4.25Å; V339-A343 PolarHBondContact O-N 3.29Å; V339-A343 VanDerWaalsContact O-N 3.11Å; E340-A343 PolarHBondContact O-N 2.87Å; A343-A346 PolarHBondContact O-N 3.38Å; A343-L347 WeakPolarHBondContact O-CG 3.45Å; A343-L347 PolarHBondContact O-N 3.19Å |
| 344 | K | 87.5 | Confident | 80 | Confident | 112 Ų | 112 | 50.4 Ų | 50.4 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 175.1 | -73.4 | 178 | -177.7 | 168.7 | 0 | 112.2 | A189 E340 P341 A346 L347 Q348 | A189-K344 HydrophobicContact CB-CG 3.88Å; E340-K344 HydrophobicContact CG-CD 4.37Å; E340-K344 WeakPolarHBondContact O-CG 3.49Å; E340-K344 PolarHBondContact O-N 3.18Å; E340-K344 VanDerWaalsContact OE1-CE 3.25Å; E340-K344 WeakPolarHBondContact OE1-CE 3.23Å; E340-K344 IonicContact OE1-NZ 3.87Å; E340-K344 PolarHBondContact OE1-NZ 2.98Å; P341-K344 PolarHBondContact O-N 3Å; K344-A346 VanDerWaalsContact C-N 3.33Å; K344-A346 PolarHBondContact O-N 3.02Å; K344-L347 PolarHBondContact O-N 3.09Å; K344-Q348 PolarHBondContact O-N 3.01Å |
| 345 | A | 84.2 | Confident | 78.1 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 5% | 0.05 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L260 L308 P341 L342 Q348 L349 | L260-A345 HydrophobicContact CD1-CB 4.05Å; L308-A345 HydrophobicContact CD1-CB 4.14Å; P341-A345 WeakPolarHBondContact O-CB 3.43Å; P341-A345 PolarHBondContact O-N 2.76Å; L342-A345 PolarHBondContact O-N 3.35Å; A345-Q348 PolarHBondContact O-N 2.81Å; A345-L349 PolarHBondContact O-N 2.65Å; A345-L349 VanDerWaalsContact O-N 3.08Å |
| 346 | A | 88.8 | Confident | 76.2 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -44.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L193 A305 L308 L342 A343 K344 Q348 L349 A350 | L193-A346 HydrophobicContact CD1-CB 3.69Å; L193-A346 HydrophobicContact CD2-CB 3.44Å; L193-A346 VanDerWaalsContact CD2-CB 3.44Å; L193-A346 HydrophobicContact CG-CB 4.22Å; A305-A346 HydrophobicContact CB-CB 4.43Å; L308-A346 HydrophobicContact CB-CB 3.66Å; L308-A346 HydrophobicContact CD1-CB 4.14Å; L342-A346 WeakPolarHBondContact O-CB 3.37Å; L342-A346 PolarHBondContact O-N 3.41Å; A343-A346 PolarHBondContact O-N 3.38Å; K344-A346 VanDerWaalsContact C-N 3.33Å; K344-A346 PolarHBondContact O-N 3.02Å; A346-Q348 VanDerWaalsContact C-N 3.32Å; A346-Q348 PolarHBondContact O-N 2.98Å; A346-L349 PolarHBondContact O-N 2.79Å; A346-A350 WeakPolarHBondContact O-CB 3.29Å; A346-A350 PolarHBondContact O-N 3.33Å |
| 347 | L | 88.6 | Confident | 74 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -36.1 | 176 | -78.9 | 169.7 | 0 | 0 | 0 | 112.8 | A189 E192 L193 A343 K344 A350 K351 | A189-L347 HydrophobicContact CB-CD1 4.18Å; A189-L347 WeakPolarHBondContact O-CD1 3.25Å; E192-L347 HydrophobicContact CB-CD1 4.11Å; E192-L347 HydrophobicContact CB-CD2 4.4Å; E192-L347 HydrophobicContact CG-CD1 4.19Å; E192-L347 HydrophobicContact CG-CD2 3.92Å; E192-L347 WeakPolarHBondContact OE2-CD1 3.36Å; L193-L347 HydrophobicContact CB-CD2 4.09Å; L193-L347 HydrophobicContact CB-CG 4.04Å; L193-L347 HydrophobicContact CD1-CD2 4.18Å; L193-L347 HydrophobicContact CD1-CG 4.23Å; A343-L347 WeakPolarHBondContact O-CG 3.45Å; A343-L347 PolarHBondContact O-N 3.19Å; K344-L347 PolarHBondContact O-N 3.09Å; L347-A350 PolarHBondContact O-N 2.79Å; L347-K351 WeakPolarHBondContact O-CB 3.38Å; L347-K351 VanDerWaalsContact O-CG 3.29Å; L347-K351 WeakPolarHBondContact O-CG 3.43Å; L347-K351 PolarHBondContact O-N 3.5Å |
| 348 | Q | 84.9 | Confident | 71.6 | Confident | 125 Ų | 125 | 55.1 Ų | 55.1 | 58% | 0.584 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.3 | -47 | 176.3 | -175 | 178.5 | -2.8 | 0 | 0 | 111.3 | K344 A345 A346 A350 K351 S352 | K344-Q348 PolarHBondContact O-N 3.01Å; A345-Q348 PolarHBondContact O-N 2.81Å; A346-Q348 VanDerWaalsContact C-N 3.32Å; A346-Q348 PolarHBondContact O-N 2.98Å; Q348-A350 VanDerWaalsContact C-N 3.32Å; Q348-A350 PolarHBondContact O-N 3.27Å; Q348-K351 PolarHBondContact O-N 3.43Å; Q348-S352 PolarHBondContact O-N 2.7Å; Q348-S352 VanDerWaalsContact O-N 3.07Å |
| 349 | L | 82.8 | Confident | 69.2 | Low | 24 Ų | 24 | 57.7 Ų | 57.7 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.4 | -34.3 | 175.8 | -70.2 | 173.1 | 0 | 0 | 0 | 112.4 | N301 L304 L308 A345 A346 S352 | N301-L349 PolarHBondContact ND2-O 2.84Å; L304-L349 HydrophobicContact CB-CD1 4.36Å; L308-L349 HydrophobicContact CD1-CD1 3.66Å; A345-L349 PolarHBondContact O-N 2.65Å; A345-L349 VanDerWaalsContact O-N 3.08Å; A346-L349 PolarHBondContact O-N 2.79Å; L349-S352 PolarHBondContact O-OG 3.38Å; L349-S352 VanDerWaalsContact O-OG 3.05Å |
| 350 | A | 85.1 | Confident | 66.4 | Low | 10 Ų | 10 | 63.7 Ų | 63.7 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W196 A305 A346 L347 Q348 | W196-A350 HydrophobicContact CD2-CB 3.7Å; W196-A350 HydrophobicContact CE3-CB 3.65Å; W196-A350 HydrophobicContact CG-CB 4.49Å; W196-A350 HydrophobicContact CH2-CB 3.64Å; W196-A350 HydrophobicContact CZ2-CB 3.68Å; W196-A350 WeakPolarHBondContact CZ2-O 3.47Å; W196-A350 HydrophobicContact CZ3-CB 3.62Å; A305-A350 HydrophobicContact CB-CB 3.99Å; A346-A350 WeakPolarHBondContact O-CB 3.29Å; A346-A350 PolarHBondContact O-N 3.33Å; L347-A350 PolarHBondContact O-N 2.79Å; Q348-A350 VanDerWaalsContact C-N 3.32Å; Q348-A350 PolarHBondContact O-N 3.27Å |
| 351 | K | 77.7 | Confident | 63.5 | Low | 107 Ų | 107 | 66.5 Ų | 66.5 | 47% | 0.465 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -94 | -7.9 | -174.7 | -68.7 | 175 | 177.3 | 178.8 | 0 | 114.7 | E192 L347 Q348 L353 | E192-K351 WeakPolarHBondContact OE1-CE 3.49Å; E192-K351 IonicContact OE1-NZ 3.83Å; E192-K351 PolarHBondContact OE1-NZ 2.93Å; E192-K351 IonicContact OE2-NZ 3.52Å; L347-K351 WeakPolarHBondContact O-CB 3.38Å; L347-K351 VanDerWaalsContact O-CG 3.29Å; L347-K351 WeakPolarHBondContact O-CG 3.43Å; L347-K351 PolarHBondContact O-N 3.5Å; Q348-K351 PolarHBondContact O-N 3.43Å; K351-L353 PolarHBondContact O-N 3.46Å; K351-L353 VanDerWaalsContact O-N 3.09Å |
| 352 | S | 71.3 | Confident | 60.6 | Low | 37 Ų | 37 | 66.7 Ų | 66.7 | 26% | 0.259 | 36% | 0.362 | S | S | . | . | trans | -67 | 110.1 | 174.8 | 60.9 | 0 | 0 | 0 | 0 | 109.6 | N301 Q348 L349 S354 | N301-S352 PolarHBondContact ND2-O 3.17Å; N301-S352 PolarHBondContact ND2-OG 3.18Å; Q348-S352 PolarHBondContact O-N 2.7Å; Q348-S352 VanDerWaalsContact O-N 3.07Å; L349-S352 PolarHBondContact O-OG 3.38Å; L349-S352 VanDerWaalsContact O-OG 3.05Å; S352-S354 PolarHBondContact O-N 3.48Å; S352-S354 VanDerWaalsContact O-N 3.13Å | ||
| 353 | L | 44.1 | Very low | 57.8 | Low | 184 Ų | 184 | 69.4 Ų | 69.4 | 96% | 0.963 | 38% | 0.381 | S | S | * | . | trans | -70 | 4.7 | 176.6 | -84.1 | 162.1 | 0 | 0 | 0 | 113.8 | K351 | K351-L353 PolarHBondContact O-N 3.46Å; K351-L353 VanDerWaalsContact O-N 3.09Å | ||
| 354 | S | 36.7 | Very low | 55 | Low | 35 Ų | 35 | 72.4 Ų | 72.4 | 25% | 0.245 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -88.2 | 134.3 | 177.8 | 37.6 | 0 | 0 | 0 | 0 | 110.5 | S352 V356 | S352-S354 PolarHBondContact O-N 3.48Å; S352-S354 VanDerWaalsContact O-N 3.13Å; S354-V356 PolarHBondContact O-N 3.19Å |
| 355 | H | 40.8 | Very low | 52.1 | Low | 135 Ų | 135 | 74 Ų | 74 | 63% | 0.625 | 41% | 0.414 | S | S | * | . | trans | -52.9 | 142.5 | 156.5 | -77.3 | -79.5 | 0 | 0 | 0 | 107.8 | S357 D358 | H355-S357 PolarHBondContact O-N 2.72Å; H355-S357 PolarHBondContact O-OG 3.09Å; H355-D358 PolarHBondContact O-N 3.02Å; H355-D358 VanDerWaalsContact O-N 3.13Å | ||
| 356 | V | 40.5 | Very low | 49.3 | Very low | 41 Ų | 41 | 75 Ų | 75 | 25% | 0.248 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -55.3 | -4.8 | -176.1 | -178.9 | 0 | 0 | 0 | 0 | 113.8 | Y255 N301 S354 D358 | Y255-V356 HydrophobicContact CD1-CG1 4.46Å; Y255-V356 HydrophobicContact CE1-CG1 3.27Å; Y255-V356 WeakPolarHBondContact OH-CG1 3.47Å; N301-V356 WeakPolarHBondContact OD1-CG2 2.98Å; S354-V356 PolarHBondContact O-N 3.19Å; V356-D358 VanDerWaalsContact C-N 3.34Å; V356-D358 PolarHBondContact O-N 3.25Å |
| 357 | S | 35.2 | Very low | 46.4 | Very low | 81 Ų | 81 | 78.6 Ų | 78.6 | 57% | 0.566 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -70.3 | -15.6 | 171 | 51.8 | 0 | 0 | 0 | 0 | 115.9 | H355 | H355-S357 PolarHBondContact O-N 2.72Å; H355-S357 PolarHBondContact O-OG 3.09Å |
| 358 | D | 33.1 | Very low | 43.7 | Very low | 118 Ų | 118 | 83 Ų | 83 | 63% | 0.631 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -105.3 | 8.2 | -166.7 | -65.9 | -19.4 | 0 | 0 | 0 | 115.8 | H355 V356 | H355-D358 PolarHBondContact O-N 3.02Å; H355-D358 VanDerWaalsContact O-N 3.13Å; V356-D358 VanDerWaalsContact C-N 3.34Å; V356-D358 PolarHBondContact O-N 3.25Å |
| 359 | V | 32.7 | Very low | 41.4 | Very low | 75 Ų | 75 | 81 Ų | 81 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -107.9 | -23.5 | -176.1 | -173.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 360 | F | 29.6 | Very low | 39.1 | Very low | 127 Ų | 127 | 85 Ų | 85 | 56% | 0.557 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -150.3 | 142 | 166 | -76.3 | -77.3 | 0 | 0 | 0 | 110.3 | A362 | F360-A362 PolarHBondContact O-N 2.9Š|
| 361 | P | 27.8 | Very low | 36.9 | Very low | 119 Ų | 119 | 88.3 Ų | 88.3 | 77% | 0.773 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 126.8 | -175.7 | 26.5 | -32 | 0 | 0 | 0 | 110.1 | ||
| 362 | A | 25 | Very low | 35.6 | Very low | 49 Ų | 49 | 88.5 Ų | 88.5 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 141 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F360 | F360-A362 PolarHBondContact O-N 2.9Š|
| 363 | S | 27.5 | Very low | 35.3 | Very low | 60 Ų | 60 | 92.6 Ų | 92.6 | 42% | 0.42 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 146.7 | 172.8 | 175.5 | 0 | 0 | 0 | 0 | 108.3 | L365 | S363-L365 PolarHBondContact O-N 2.9Š|
| 364 | P | 30.4 | Very low | 36.9 | Very low | 64 Ų | 64 | 85 Ų | 85 | 42% | 0.416 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -70.4 | 131.7 | -175.2 | 17.1 | -19.2 | 0 | 0 | 0 | 109.2 | D371 | P364-D371 VanDerWaalsContact CA-OD1 3.27Å; P364-D371 WeakPolarHBondContact CA-OD1 3.34Å; P364-D371 WeakPolarHBondContact CA-OD2 3.27Å; P364-D371 HydrophobicContact CB-CB 3.89Å; P364-D371 WeakPolarHBondContact CB-OD2 2.99Å; P364-D371 WeakPolarHBondContact CD-OD2 3.4Å; P364-D371 WeakPolarHBondContact CG-OD2 3.04Å |
| 365 | L | 26.6 | Very low | 39 | Very low | 144 Ų | 144 | 87.8 Ų | 87.8 | 75% | 0.754 | 52% | 0.519 | S | S | * | . | trans | 179.6 | 21.2 | 141.4 | -92.6 | 153.1 | 0 | 0 | 0 | 115 | S363 G367 | S363-L365 PolarHBondContact O-N 2.9Å; L365-G367 PolarHBondContact O-N 2.73Å | ||
| 366 | A | 25.9 | Very low | 40.8 | Very low | 29 Ų | 29 | 82 Ų | 82 | 24% | 0.24 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -74.4 | 104.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | P368 A369 | A366-P368 WeakPolarHBondContact O-CA 3.37Å; A366-A369 PolarHBondContact O-N 3.22Å |
| 367 | G | 28.2 | Very low | 42.8 | Very low | 74 Ų | 74 | 82.9 Ų | 82.9 | 76% | 0.763 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 131.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L365 | L365-G367 PolarHBondContact O-N 2.73Š|
| 368 | P | 32.6 | Very low | 45 | Very low | 104 Ų | 104 | 83 Ų | 83 | 68% | 0.675 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | -79.1 | 106.2 | -86.9 | 27.1 | -6 | 0 | 0 | 0 | 112.1 | A366 K370 | A366-P368 WeakPolarHBondContact O-CA 3.37Å; P368-K370 HydrophobicContact CB-CB 4.36Å; P368-K370 HydrophobicContact CB-CG 3.58Å | |
| 369 | A | 35.9 | Very low | 47.6 | Very low | 85 Ų | 85 | 82.5 Ų | 82.5 | 70% | 0.702 | 50% | 0.496 | S | S | * | . | S | Bend | -86.1 | 85.5 | 118.9 | 0 | 0 | 0 | 0 | 0 | 102.7 | A366 D371 | A366-A369 PolarHBondContact O-N 3.22Å; A369-D371 PolarHBondContact O-N 3.06Å | |
| 370 | K | 34.9 | Very low | 50.3 | Low | 107 Ų | 107 | 79 Ų | 79 | 47% | 0.465 | 47% | 0.474 | S | S | . | . | trans | -37.4 | 134.5 | -173.7 | -73.3 | 174.7 | 179.1 | 160.7 | 0 | 107.7 | P368 R372 E684 | P368-K370 HydrophobicContact CB-CB 4.36Å; P368-K370 HydrophobicContact CB-CG 3.58Å; K370-R372 HydrophobicContact CB-CG 4.44Å; K370-R372 WeakPolarHBondContact O-CG 3.13Å; K370-R372 PolarHBondContact O-N 3.49Å; K370-E684 IonicContact NZ-OE1 3.87Å; K370-E684 PolarHBondContact NZ-OE1 2.97Å; K370-E684 IonicContact NZ-OE2 2.98Å; K370-E684 PolarHBondContact NZ-OE2 3.04Å | ||
| 371 | D | 38.9 | Very low | 53.2 | Low | 79 Ų | 79 | 77.9 Ų | 77.9 | 42% | 0.422 | 47% | 0.471 | S | S | . | . | trans | -41.8 | 95 | 142.8 | -104.6 | 21.6 | 0 | 0 | 0 | 106.1 | P364 A369 L373 | P364-D371 VanDerWaalsContact CA-OD1 3.27Å; P364-D371 WeakPolarHBondContact CA-OD1 3.34Å; P364-D371 WeakPolarHBondContact CA-OD2 3.27Å; P364-D371 HydrophobicContact CB-CB 3.89Å; P364-D371 WeakPolarHBondContact CB-OD2 2.99Å; P364-D371 WeakPolarHBondContact CD-OD2 3.4Å; P364-D371 WeakPolarHBondContact CG-OD2 3.04Å; A369-D371 PolarHBondContact O-N 3.06Å; D371-L373 PolarHBondContact O-N 3.38Å | ||
| 372 | R | 49 | Very low | 56.1 | Low | 112 Ų | 112 | 74.8 Ų | 74.8 | 42% | 0.423 | 46% | 0.455 | S | S | . | . | trans | -74.8 | 101 | 173.9 | -72.8 | -174.2 | -178.8 | -169.8 | 9 | 100.4 | K370 F374 P375 Y452 | K370-R372 HydrophobicContact CB-CG 4.44Å; K370-R372 WeakPolarHBondContact O-CG 3.13Å; K370-R372 PolarHBondContact O-N 3.49Å; R372-F374 CarbonylContact O-C 3.58Å; R372-F374 PolarHBondContact O-N 3.07Å; R372-P375 WeakPolarHBondContact O-CD 3.31Å; R372-Y452 WeakPolarHBondContact CD-OH 3.5Å | ||
| 373 | L | 65.3 | Low | 59.5 | Low | 123 Ų | 123 | 73.3 Ų | 73.3 | 64% | 0.644 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -37.1 | -25.8 | 162.8 | -78.9 | 155.7 | 0 | 0 | 0 | 111.5 | D371 L688 | D371-L373 PolarHBondContact O-N 3.38Å; L373-L688 HydrophobicContact CD1-CD1 4.18Å; L373-L688 HydrophobicContact CD1-CD2 3.91Å |
| 374 | F | 79.1 | Confident | 62.8 | Low | 23 Ų | 23 | 71 Ų | 71 | 10% | 0.101 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -127.9 | 89.7 | 175.3 | -47 | -72.5 | 0 | 0 | 0 | 111.1 | R372 L448 Y452 L688 L691 S692 H695 | R372-F374 CarbonylContact O-C 3.58Å; R372-F374 PolarHBondContact O-N 3.07Å; F374-L448 HydrophobicContact CB-CD1 3.5Å; F374-L448 HydrophobicContact CB-CD2 3.8Å; F374-L448 HydrophobicContact CB-CG 4.28Å; F374-L448 HydrophobicContact CG-CD1 4.36Å; F374-Y452 PolarHBondContact O-OH 3.33Å; F374-L688 HydrophobicContact CD2-CD2 4.47Å; F374-L688 HydrophobicContact CE2-CD2 4.36Å; F374-L688 WeakPolarHBondContact CE2-O 3.31Å; F374-L691 HydrophobicContact CB-CB 3.93Å; F374-L691 HydrophobicContact CD2-CB 3.24Å; F374-L691 HydrophobicContact CD2-CD1 4.07Å; F374-L691 HydrophobicContact CD2-CG 4.31Å; F374-L691 HydrophobicContact CE2-CB 3.9Å; F374-L691 HydrophobicContact CG-CB 3.63Å; F374-S692 VanDerWaalsContact CE1-CA 3.46Å; F374-S692 VanDerWaalsContact CZ-CB 3.42Å; F374-H695 HydrophobicContact CD1-CB 3.65Å; F374-H695 AromaticContact CD1-CG 3.99Å; F374-H695 HydrophobicContact CE1-CB 4.07Å |
| 375 | P | 79.1 | Confident | 66 | Low | 95 Ų | 95 | 72.6 Ų | 72.6 | 62% | 0.617 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 140.1 | 179.3 | 28.9 | -33.9 | 0 | 0 | 0 | 111.3 | R372 L448 | R372-P375 WeakPolarHBondContact O-CD 3.31Å; P375-L448 VanDerWaalsContact O-CD2 3.28Å; P375-L448 WeakPolarHBondContact O-CD2 3.43Å |
| 376 | Q | 80.7 | Confident | 69.4 | Low | 13 Ų | 13 | 70.2 Ų | 70.2 | 6% | 0.061 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 149.9 | 172.8 | -70.6 | -175.6 | -82.4 | 0 | 0 | 110.8 | Q381 D449 Y452 | Q376-Q381 HydrophobicContact CB-CG 3.61Å; Q376-Q381 PolarHBondContact O-NE2 3.47Å; Q376-Q381 VanDerWaalsContact O-NE2 3.12Å; Q376-D449 WeakPolarHBondContact CA-OD1 3.4Å; Q376-Y452 HydrophobicContact CG-CD2 3.22Å; Q376-Y452 HydrophobicContact CG-CE2 3.28Å; Q376-Y452 HydrophobicContact CG-CG 4.05Å |
| 377 | T | 80.9 | Confident | 72.9 | Confident | 60 Ų | 60 | 68.9 Ų | 68.9 | 37% | 0.368 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 156.6 | 169 | 69.2 | 0 | 0 | 0 | 0 | 110.5 | K379 G380 Q381 T446 D449 | T377-K379 PolarHBondContact O-N 3.1Å; T377-G380 WeakPolarHBondContact O-CA 3.47Å; T377-G380 PolarHBondContact O-N 2.93Å; T377-G380 PolarHBondContact OG1-N 3.06Å; T377-Q381 WeakPolarHBondContact O-CG 3.3Å; T377-Q381 PolarHBondContact O-N 3.1Å; T377-T446 HydrophobicContact CG2-CG2 4.43Å; T377-D449 VanDerWaalsContact CG2-OD2 3.25Å; T377-D449 WeakPolarHBondContact CG2-OD2 3.28Å; T377-D449 PolarHBondContact N-OD1 2.81Å; T377-D449 PolarHBondContact OG1-OD1 3.02Å; T377-D449 PolarHBondContact OG1-OD2 2.97Å |
| 378 | A | 82.8 | Confident | 76.2 | Confident | 82 Ų | 82 | 68.9 Ų | 68.9 | 68% | 0.678 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -56.1 | -39.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q381 A382 | A378-Q381 PolarHBondContact O-N 3.16Å; A378-A382 WeakPolarHBondContact O-CB 3.41Å; A378-A382 PolarHBondContact O-N 3.34Å |
| 379 | K | 86.9 | Confident | 79.3 | Confident | 109 Ų | 109 | 67.5 Ų | 67.5 | 47% | 0.474 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 173.5 | -175.9 | 175.8 | 176 | 178.9 | 0 | 111.6 | T377 Q381 A382 V383 S443 L445 | T377-K379 PolarHBondContact O-N 3.1Å; K379-Q381 VanDerWaalsContact C-N 3.32Å; K379-Q381 PolarHBondContact O-N 3.29Å; K379-A382 PolarHBondContact O-N 3.13Å; K379-V383 HydrophobicContact CG-CG2 4.39Å; K379-V383 WeakPolarHBondContact O-CG2 3.42Å; K379-V383 PolarHBondContact O-N 3.18Å; K379-S443 WeakPolarHBondContact CE-O 3.34Å; K379-S443 PolarHBondContact NZ-O 3.15Å; K379-L445 HydrophobicContact CD-CD2 4.4Å; K379-L445 HydrophobicContact CG-CD2 4.06Å |
| 380 | G | 89.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T377 L384 | T377-G380 WeakPolarHBondContact O-CA 3.47Å; T377-G380 PolarHBondContact O-N 2.93Å; T377-G380 PolarHBondContact OG1-N 3.06Å; G380-L384 WeakPolarHBondContact O-CB 3.43Å; G380-L384 PolarHBondContact O-N 2.96Å |
| 381 | Q | 89.8 | Confident | 85.3 | Confident | 105 Ų | 105 | 59 Ų | 59 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.8 | -45.6 | 175.1 | -66.4 | 177.7 | 18.8 | 0 | 0 | 111.9 | Q376 T377 A378 K379 L384 Q385 | Q376-Q381 HydrophobicContact CB-CG 3.61Å; Q376-Q381 PolarHBondContact O-NE2 3.47Å; Q376-Q381 VanDerWaalsContact O-NE2 3.12Å; T377-Q381 WeakPolarHBondContact O-CG 3.3Å; T377-Q381 PolarHBondContact O-N 3.1Å; A378-Q381 PolarHBondContact O-N 3.16Å; K379-Q381 VanDerWaalsContact C-N 3.32Å; K379-Q381 PolarHBondContact O-N 3.29Å; Q381-L384 PolarHBondContact O-N 3.25Å; Q381-Q385 PolarHBondContact O-N 3.05Å |
| 382 | A | 90.4 | Very high | 88.1 | Confident | 53 Ų | 53 | 62.2 Ų | 62.2 | 44% | 0.438 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A378 K379 Q385 Q386 | A378-A382 WeakPolarHBondContact O-CB 3.41Å; A378-A382 PolarHBondContact O-N 3.34Å; K379-A382 PolarHBondContact O-N 3.13Å; A382-Q385 PolarHBondContact O-N 3.22Å; A382-Q386 WeakPolarHBondContact O-CG 3.42Å; A382-Q386 PolarHBondContact O-N 3.31Å |
| 383 | V | 95.2 | Very high | 90.4 | Very high | 18 Ų | 18 | 62.6 Ų | 62.6 | 11% | 0.109 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.8 | -40 | 177.7 | 176.3 | 0 | 0 | 0 | 0 | 111 | K379 Q385 Q386 V387 L434 L437 L445 I453 | K379-V383 HydrophobicContact CG-CG2 4.39Å; K379-V383 WeakPolarHBondContact O-CG2 3.42Å; K379-V383 PolarHBondContact O-N 3.18Å; V383-Q385 VanDerWaalsContact C-N 3.3Å; V383-Q385 PolarHBondContact O-N 3.17Å; V383-Q386 PolarHBondContact O-N 2.65Å; V383-V387 HydrophobicContact CG1-CG2 4.28Å; V383-V387 WeakPolarHBondContact O-CG2 3.49Å; V383-V387 PolarHBondContact O-N 3.45Å; V383-L434 HydrophobicContact CG1-CD2 4.1Å; V383-L437 HydrophobicContact CG1-CD1 4.07Å; V383-L437 HydrophobicContact CG1-CD2 4.09Å; V383-L445 HydrophobicContact CG1-CD1 4.26Å; V383-L445 HydrophobicContact CG2-CD2 4.4Å; V383-I453 HydrophobicContact CB-CD1 4.1Å; V383-I453 HydrophobicContact CG1-CD1 3.7Å |
| 384 | L | 97.9 | Very high | 92 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.8 | -44.4 | 173.8 | 175 | 63.6 | 0 | 0 | 0 | 111.6 | G380 Q381 V387 K388 Y452 I453 E456 | G380-L384 WeakPolarHBondContact O-CB 3.43Å; G380-L384 PolarHBondContact O-N 2.96Å; Q381-L384 PolarHBondContact O-N 3.25Å; L384-V387 PolarHBondContact O-N 2.59Å; L384-K388 HydrophobicContact CD1-CG 4.48Å; L384-K388 HydrophobicContact CG-CD 4.45Å; L384-K388 WeakPolarHBondContact O-CG 3.49Å; L384-K388 PolarHBondContact O-N 3.12Å; L384-Y452 WeakPolarHBondContact CD1-O 3.43Å; L384-I453 HydrophobicContact CB-CG1 4.02Å; L384-I453 HydrophobicContact CD1-CG1 4.15Å; L384-E456 HydrophobicContact CD1-CB 4.32Å |
| 385 | Q | 97.3 | Very high | 92.9 | Very high | 98 Ų | 98 | 59.3 Ų | 59.3 | 46% | 0.458 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 178.1 | -170.3 | 58 | 49.4 | 0 | 0 | 111.2 | Q381 A382 V383 V387 K388 D389 | Q381-Q385 PolarHBondContact O-N 3.05Å; A382-Q385 PolarHBondContact O-N 3.22Å; V383-Q385 VanDerWaalsContact C-N 3.3Å; V383-Q385 PolarHBondContact O-N 3.17Å; Q385-V387 VanDerWaalsContact C-N 3.32Å; Q385-V387 PolarHBondContact O-N 3.05Å; Q385-K388 WeakPolarHBondContact O-CB 3.14Å; Q385-K388 PolarHBondContact O-N 3.36Å; Q385-D389 PolarHBondContact NE2-OD1 3.46Å; Q385-D389 PolarHBondContact O-N 2.98Å |
| 386 | Q | 97.8 | Very high | 93.6 | Very high | 94 Ų | 94 | 57.1 Ų | 57.1 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 175.3 | -70.1 | 173.3 | -15.6 | 0 | 0 | 112.5 | A382 V383 D389 F390 L434 | A382-Q386 WeakPolarHBondContact O-CG 3.42Å; A382-Q386 PolarHBondContact O-N 3.31Å; V383-Q386 PolarHBondContact O-N 2.65Å; Q386-D389 PolarHBondContact O-N 3.08Å; Q386-F390 VanDerWaalsContact O-CB 3.24Å; Q386-F390 WeakPolarHBondContact O-CB 3.46Å; Q386-F390 PolarHBondContact O-N 3.16Å; Q386-L434 HydrophobicContact CB-CD1 4.29Å; Q386-L434 HydrophobicContact CB-CD2 3.91Å |
| 387 | V | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 176.1 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | V383 L384 Q385 F390 M391 L434 L437 I453 E456 F467 | V383-V387 HydrophobicContact CG1-CG2 4.28Å; V383-V387 WeakPolarHBondContact O-CG2 3.49Å; V383-V387 PolarHBondContact O-N 3.45Å; L384-V387 PolarHBondContact O-N 2.59Å; Q385-V387 VanDerWaalsContact C-N 3.32Å; Q385-V387 PolarHBondContact O-N 3.05Å; V387-F390 PolarHBondContact O-N 3.44Å; V387-M391 HydrophobicContact CG1-CG 4.14Å; V387-M391 VanDerWaalsContact O-CB 3.29Å; V387-M391 WeakPolarHBondContact O-CB 3.33Å; V387-M391 WeakPolarHBondContact O-CG 3.47Å; V387-M391 PolarHBondContact O-N 3.02Å; V387-L434 HydrophobicContact CG2-CD1 4.31Å; V387-L434 HydrophobicContact CG2-CD2 4.04Å; V387-L437 HydrophobicContact CG2-CD1 3.86Å; V387-I453 HydrophobicContact CG1-CG2 4.43Å; V387-I453 HydrophobicContact CG2-CG2 4.06Å; V387-E456 HydrophobicContact CG1-CB 4.29Å; V387-E456 HydrophobicContact CG1-CG 4.12Å; V387-F467 HydrophobicContact CG1-CE2 4.18Å; V387-F467 HydrophobicContact CG1-CZ 4.12Å |
| 388 | K | 98 | Very high | 95.2 | Very high | 75 Ų | 75 | 58 Ų | 58 | 33% | 0.326 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 175 | -76.5 | 178.7 | 173.1 | -169.9 | 0 | 112 | L384 Q385 F390 M391 Q392 E456 | L384-K388 HydrophobicContact CD1-CG 4.48Å; L384-K388 HydrophobicContact CG-CD 4.45Å; L384-K388 WeakPolarHBondContact O-CG 3.49Å; L384-K388 PolarHBondContact O-N 3.12Å; Q385-K388 WeakPolarHBondContact O-CB 3.14Å; Q385-K388 PolarHBondContact O-N 3.36Å; K388-F390 VanDerWaalsContact C-N 3.34Å; K388-F390 PolarHBondContact O-N 3.31Å; K388-M391 PolarHBondContact O-N 3.19Å; K388-Q392 WeakPolarHBondContact O-CB 3.47Å; K388-Q392 PolarHBondContact O-N 3.01Å; K388-E456 WeakPolarHBondContact CE-OE2 3.46Å; K388-E456 HydrophobicContact CG-CG 3.77Å |
| 389 | D | 97.7 | Very high | 95.7 | Very high | 75 Ų | 75 | 57.5 Ų | 57.5 | 40% | 0.401 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 179.4 | -60.8 | -17.8 | 0 | 0 | 0 | 110.3 | Q385 Q386 M391 Q392 Q393 | Q385-D389 PolarHBondContact NE2-OD1 3.46Å; Q385-D389 PolarHBondContact O-N 2.98Å; Q386-D389 PolarHBondContact O-N 3.08Å; D389-M391 PolarHBondContact O-N 3.25Å; D389-Q392 PolarHBondContact O-N 3.44Å; D389-Q393 WeakPolarHBondContact O-CB 3.38Å; D389-Q393 PolarHBondContact O-N 3.17Å |
| 390 | F | 98.6 | Very high | 95.9 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 6% | 0.057 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 177 | -166.6 | -78.7 | 0 | 0 | 0 | 112.2 | Q386 V387 K388 Y394 V395 L425 K428 A429 L434 V466 F467 | Q386-F390 VanDerWaalsContact O-CB 3.24Å; Q386-F390 WeakPolarHBondContact O-CB 3.46Å; Q386-F390 PolarHBondContact O-N 3.16Å; V387-F390 PolarHBondContact O-N 3.44Å; K388-F390 VanDerWaalsContact C-N 3.34Å; K388-F390 PolarHBondContact O-N 3.31Å; F390-Y394 HydrophobicContact CD1-CD2 4.28Å; F390-Y394 AromaticContact CD2-CD2 3.71Å; F390-Y394 HydrophobicContact CD2-CD2 3.71Å; F390-Y394 HydrophobicContact CD2-CE2 4.11Å; F390-Y394 HydrophobicContact CE1-CD2 4.38Å; F390-Y394 AromaticContact CE2-CD2 3.86Å; F390-Y394 HydrophobicContact CE2-CD2 3.86Å; F390-Y394 HydrophobicContact CE2-CE2 4.3Å; F390-Y394 AromaticContact CG-CD2 3.94Å; F390-Y394 HydrophobicContact CG-CD2 3.94Å; F390-Y394 HydrophobicContact CZ-CD2 4.19Å; F390-Y394 WeakPolarHBondContact O-CB 3.5Å; F390-Y394 PolarHBondContact O-N 3.25Å; F390-V395 HydrophobicContact CD1-CG2 3.68Å; F390-V395 HydrophobicContact CE1-CG2 3.71Å; F390-V395 PolarHBondContact O-N 3.39Å; F390-L425 HydrophobicContact CE1-CD2 4.42Å; F390-K428 HydrophobicContact CE2-CB 3.94Å; F390-K428 HydrophobicContact CZ-CB 3.86Å; F390-A429 HydrophobicContact CE1-CB 4.47Å; F390-A429 HydrophobicContact CE2-CB 4.34Å; F390-A429 HydrophobicContact CZ-CB 3.96Å; F390-L434 HydrophobicContact CB-CD1 3.87Å; F390-L434 HydrophobicContact CD2-CD1 3.97Å; F390-L434 HydrophobicContact CG-CD1 4.03Å; F390-V466 HydrophobicContact CE1-CG1 3.76Å; F390-V466 HydrophobicContact CZ-CG1 4.35Å; F390-F467 HydrophobicContact CB-CZ 4.46Å; F390-F467 AromaticContact CD1-CE1 3.64Å; F390-F467 HydrophobicContact CD1-CE1 3.64Å; F390-F467 AromaticContact CD1-CZ 3.62Å; F390-F467 HydrophobicContact CD1-CZ 3.62Å; F390-F467 HydrophobicContact CE1-CE1 4.03Å; F390-F467 HydrophobicContact CE1-CZ 4.23Å; F390-F467 HydrophobicContact CG-CE1 4.08Å; F390-F467 HydrophobicContact CG-CZ 4.26Å |
| 391 | M | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -61 | -49 | 176.8 | -77 | -71.6 | -65.4 | 0 | 0 | 111.1 | V387 K388 D389 V395 L396 E456 C460 A463 F467 | V387-M391 HydrophobicContact CG1-CG 4.14Å; V387-M391 VanDerWaalsContact O-CB 3.29Å; V387-M391 WeakPolarHBondContact O-CB 3.33Å; V387-M391 WeakPolarHBondContact O-CG 3.47Å; V387-M391 PolarHBondContact O-N 3.02Å; K388-M391 PolarHBondContact O-N 3.19Å; D389-M391 PolarHBondContact O-N 3.25Å; M391-V395 HydrophobicContact CE-CB 4.48Å; M391-V395 HydrophobicContact CE-CG1 4.19Å; M391-V395 PolarHBondContact O-N 3.15Å; M391-V395 HydrophobicContact SD-CB 3.71Å; M391-V395 HydrophobicContact SD-CG1 3.72Å; M391-V395 HydrophobicContact SD-CG2 3.86Å; M391-L396 HydrophobicContact CE-CD2 4.2Å; M391-L396 HydrophobicContact CE-CG 4.46Å; M391-L396 WeakPolarHBondContact O-CG 3.35Å; M391-L396 PolarHBondContact O-N 2.92Å; M391-E456 HydrophobicContact CG-CG 4.19Å; M391-C460 HydrophobicContact CE-CB 3.92Å; M391-A463 HydrophobicContact CE-CB 3.77Å; M391-A463 HydrophobicContact SD-CB 3.54Å; M391-A463 VanDerWaalsContact SD-CB 3.54Å; M391-F467 HydrophobicContact CG-CE2 4.4Å; M391-F467 HydrophobicContact CG-CZ 4.4Å; M391-F467 HydrophobicContact SD-CE2 3.93Å; M391-F467 HydrophobicContact SD-CZ 4.32Å |
| 392 | Q | 97.1 | Very high | 96.6 | Very high | 146 Ų | 146 | 59 Ų | 59 | 68% | 0.682 | 30% | 0.295 | S | S | * | . | I | π-helix | trans | -67.3 | -41 | -179.7 | -173.9 | 172.9 | 4.8 | 0 | 0 | 112.5 | K388 D389 P397 | K388-Q392 WeakPolarHBondContact O-CB 3.47Å; K388-Q392 PolarHBondContact O-N 3.01Å; D389-Q392 PolarHBondContact O-N 3.44Å; Q392-P397 WeakPolarHBondContact O-CD 3.5Å |
| 393 | Q | 97.8 | Very high | 96.7 | Very high | 120 Ų | 120 | 59.2 Ų | 59.2 | 56% | 0.561 | 30% | 0.296 | S | S | * | . | I | π-helix | trans | -79.8 | -35.1 | -174.2 | -171.4 | 176.8 | 5.8 | 0 | 0 | 113.3 | D389 | D389-Q393 WeakPolarHBondContact O-CB 3.38Å; D389-Q393 PolarHBondContact O-N 3.17Å |
| 394 | Y | 98.1 | Very high | 96.6 | Very high | 78 Ų | 78 | 63.5 Ų | 63.5 | 31% | 0.306 | 32% | 0.315 | S | S | . | . | I | π-helix | trans | -126 | -43.4 | -168.4 | -55.4 | -69.3 | 0 | 0 | 0 | 114.3 | F390 K428 | F390-Y394 HydrophobicContact CD1-CD2 4.28Å; F390-Y394 AromaticContact CD2-CD2 3.71Å; F390-Y394 HydrophobicContact CD2-CD2 3.71Å; F390-Y394 HydrophobicContact CD2-CE2 4.11Å; F390-Y394 HydrophobicContact CE1-CD2 4.38Å; F390-Y394 AromaticContact CE2-CD2 3.86Å; F390-Y394 HydrophobicContact CE2-CD2 3.86Å; F390-Y394 HydrophobicContact CE2-CE2 4.3Å; F390-Y394 AromaticContact CG-CD2 3.94Å; F390-Y394 HydrophobicContact CG-CD2 3.94Å; F390-Y394 HydrophobicContact CZ-CD2 4.19Å; F390-Y394 WeakPolarHBondContact O-CB 3.5Å; F390-Y394 PolarHBondContact O-N 3.25Å; Y394-K428 HydrophobicContact CD1-CD 4.43Å |
| 395 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.32 | C | S | . | . | I | π-helix | trans | -80.6 | -50.8 | -170.6 | -178.3 | 0 | 0 | 0 | 0 | 112.5 | F390 M391 A398 C460 F462 A463 V466 | F390-V395 HydrophobicContact CD1-CG2 3.68Å; F390-V395 HydrophobicContact CE1-CG2 3.71Å; F390-V395 PolarHBondContact O-N 3.39Å; M391-V395 HydrophobicContact CE-CB 4.48Å; M391-V395 HydrophobicContact CE-CG1 4.19Å; M391-V395 PolarHBondContact O-N 3.15Å; M391-V395 HydrophobicContact SD-CB 3.71Å; M391-V395 HydrophobicContact SD-CG1 3.72Å; M391-V395 HydrophobicContact SD-CG2 3.86Å; V395-A398 PolarHBondContact O-N 3.14Å; V395-C460 HydrophobicContact CG1-CB 4.39Å; V395-F462 HydrophobicContact CG1-CD2 4.31Å; V395-F462 HydrophobicContact CG1-CE2 3.66Å; V395-F462 HydrophobicContact CG1-CZ 4.12Å; V395-F462 WeakPolarHBondContact O-CZ 3.47Å; V395-A463 HydrophobicContact CG1-CB 3.94Å; V395-V466 HydrophobicContact CG2-CG1 4.28Å |
| 396 | L | 95.6 | Very high | 96.4 | Very high | 48 Ų | 48 | 61.5 Ų | 61.5 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -41.8 | -179.1 | -64.2 | 175.6 | 0 | 0 | 0 | 112.3 | M391 A398 Q399 C460 | M391-L396 HydrophobicContact CE-CD2 4.2Å; M391-L396 HydrophobicContact CE-CG 4.46Å; M391-L396 WeakPolarHBondContact O-CG 3.35Å; M391-L396 PolarHBondContact O-N 2.92Å; L396-A398 PolarHBondContact O-N 2.94Å; L396-Q399 WeakPolarHBondContact O-CB 3.34Å; L396-Q399 VanDerWaalsContact O-CG 3.29Å; L396-Q399 WeakPolarHBondContact O-CG 3.45Å; L396-Q399 PolarHBondContact O-N 3.33Å; L396-Q399 PolarHBondContact O-OE1 3.48Å; L396-C460 HydrophobicContact CD2-CB 4.11Å |
| 397 | P | 96.7 | Very high | 96.2 | Very high | 85 Ų | 85 | 61.9 Ų | 61.9 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -28.1 | 174.5 | -26 | 36.9 | 0 | 0 | 0 | 114.3 | Q392 Q399 | Q392-P397 WeakPolarHBondContact O-CD 3.5Å; P397-Q399 VanDerWaalsContact C-N 3.29Å; P397-Q399 PolarHBondContact O-N 3.44Å |
| 398 | A | 97.1 | Very high | 96 | Very high | 7 Ų | 7 | 70 Ų | 70 | 6% | 0.058 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -8.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | V395 L396 Q400 E401 V402 I421 L425 F462 | V395-A398 PolarHBondContact O-N 3.14Å; L396-A398 PolarHBondContact O-N 2.94Å; A398-Q400 VanDerWaalsContact C-N 3.28Å; A398-Q400 PolarHBondContact O-N 2.81Å; A398-E401 PolarHBondContact O-N 3.18Å; A398-V402 WeakPolarHBondContact O-CG2 3.19Å; A398-V402 PolarHBondContact O-N 2.96Å; A398-I421 HydrophobicContact CB-CG1 3.93Å; A398-L425 HydrophobicContact CB-CD1 4.02Å; A398-F462 HydrophobicContact CB-CZ 4.31Å |
| 399 | Q | 93.6 | Very high | 95.9 | Very high | 72 Ų | 72 | 67.9 Ų | 67.9 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.3 | -39.2 | -174.6 | -70.6 | -178.9 | -74 | 0 | 0 | 113.2 | L396 P397 A403 F462 | L396-Q399 WeakPolarHBondContact O-CB 3.34Å; L396-Q399 VanDerWaalsContact O-CG 3.29Å; L396-Q399 WeakPolarHBondContact O-CG 3.45Å; L396-Q399 PolarHBondContact O-N 3.33Å; L396-Q399 PolarHBondContact O-OE1 3.48Å; P397-Q399 VanDerWaalsContact C-N 3.29Å; P397-Q399 PolarHBondContact O-N 3.44Å; Q399-A403 WeakPolarHBondContact O-CB 3.48Å; Q399-A403 PolarHBondContact O-N 3.36Å; Q399-F462 HydrophobicContact CB-CE1 4.43Å; Q399-F462 HydrophobicContact CG-CE1 3.86Å; Q399-F462 HydrophobicContact CG-CZ 4.04Å |
| 400 | Q | 92.1 | Very high | 95.6 | Very high | 138 Ų | 138 | 66.8 Ų | 66.8 | 65% | 0.645 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.6 | -49.8 | 179.6 | -177.2 | 178.6 | -14 | 0 | 0 | 111.4 | A398 V402 A403 E404 | A398-Q400 VanDerWaalsContact C-N 3.28Å; A398-Q400 PolarHBondContact O-N 2.81Å; Q400-V402 VanDerWaalsContact C-N 3.29Å; Q400-V402 PolarHBondContact O-N 2.93Å; Q400-A403 PolarHBondContact O-N 2.94Å; Q400-A403 VanDerWaalsContact O-N 3.16Å; Q400-E404 WeakPolarHBondContact CG-OE1 3.39Å; Q400-E404 PolarHBondContact NE2-OE1 3.46Å; Q400-E404 WeakPolarHBondContact O-CG 3.36Å; Q400-E404 PolarHBondContact O-N 3.38Å |
| 401 | E | 95.8 | Very high | 95.3 | Very high | 105 Ų | 105 | 75.1 Ų | 75.1 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 179.1 | -174.5 | -176.9 | 160.1 | 0 | 0 | 111.6 | A398 E404 Y405 I421 | A398-E401 PolarHBondContact O-N 3.18Å; E401-E404 PolarHBondContact O-N 3.34Å; E401-Y405 PolarHBondContact O-N 2.86Å; E401-I421 HydrophobicContact CG-CG2 4.41Å |
| 402 | V | 95.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.018 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | A398 Q400 Y405 Y406 P419 I421 I422 F462 I596 | A398-V402 WeakPolarHBondContact O-CG2 3.19Å; A398-V402 PolarHBondContact O-N 2.96Å; Q400-V402 VanDerWaalsContact C-N 3.29Å; Q400-V402 PolarHBondContact O-N 2.93Å; V402-Y405 WeakPolarHBondContact O-CB 3.11Å; V402-Y405 PolarHBondContact O-N 3.27Å; V402-Y406 HydrophobicContact CG1-CD2 4.04Å; V402-Y406 HydrophobicContact CG1-CE2 3.77Å; V402-Y406 WeakPolarHBondContact O-CD2 3.41Å; V402-Y406 PolarHBondContact O-N 2.97Å; V402-P419 HydrophobicContact CG1-CG 4.46Å; V402-P419 HydrophobicContact CG2-CG 4.24Å; V402-I421 HydrophobicContact CG2-CG2 3.68Å; V402-I422 HydrophobicContact CG1-CD1 4.25Å; V402-I422 HydrophobicContact CG2-CD1 4.22Å; V402-I422 HydrophobicContact CG2-CG1 4.07Å; V402-F462 HydrophobicContact CB-CD1 4.45Å; V402-F462 HydrophobicContact CB-CE1 4.06Å; V402-F462 HydrophobicContact CB-CZ 4.48Å; V402-F462 HydrophobicContact CG1-CD1 3.98Å; V402-F462 HydrophobicContact CG1-CE1 4.09Å; V402-F462 HydrophobicContact CG2-CD1 4.45Å; V402-F462 HydrophobicContact CG2-CE1 4Å; V402-F462 HydrophobicContact CG2-CE2 4.35Å; V402-F462 HydrophobicContact CG2-CZ 3.96Å; V402-I596 HydrophobicContact CG1-CD1 3.69Å; V402-I596 HydrophobicContact CG1-CG1 4.5Å |
| 403 | A | 92.7 | Very high | 94.7 | Very high | 56 Ų | 56 | 75.1 Ų | 75.1 | 46% | 0.463 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q399 Q400 Y405 Y406 T407 | Q399-A403 WeakPolarHBondContact O-CB 3.48Å; Q399-A403 PolarHBondContact O-N 3.36Å; Q400-A403 PolarHBondContact O-N 2.94Å; Q400-A403 VanDerWaalsContact O-N 3.16Å; A403-Y405 VanDerWaalsContact C-N 3.33Å; A403-Y405 PolarHBondContact O-N 2.99Å; A403-Y406 PolarHBondContact O-N 3.25Å; A403-T407 WeakPolarHBondContact O-CB 3.44Å; A403-T407 PolarHBondContact O-N 3.12Å; A403-T407 VanDerWaalsContact O-N 3.08Å; A403-T407 PolarHBondContact O-OG1 2.93Å |
| 404 | E | 94.3 | Very high | 94.5 | Very high | 108 Ų | 108 | 72.8 Ų | 72.8 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 176.3 | -73.1 | 173.3 | -171.7 | 0 | 0 | 111.6 | Q400 E401 T407 K408 | Q400-E404 WeakPolarHBondContact CG-OE1 3.39Å; Q400-E404 PolarHBondContact NE2-OE1 3.46Å; Q400-E404 WeakPolarHBondContact O-CG 3.36Å; Q400-E404 PolarHBondContact O-N 3.38Å; E401-E404 PolarHBondContact O-N 3.34Å; E404-T407 PolarHBondContact O-N 3.39Å; E404-K408 VanDerWaalsContact O-CB 3.31Å; E404-K408 WeakPolarHBondContact O-CB 3.22Å; E404-K408 PolarHBondContact O-N 3.18Å |
| 405 | Y | 96.4 | Very high | 94.3 | Very high | 43 Ų | 43 | 71.3 Ų | 71.3 | 17% | 0.169 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.1 | -53.4 | 175.2 | 176.3 | -92.1 | 0 | 0 | 0 | 112.3 | E401 V402 A403 T407 K408 H409 L414 H417 P419 | E401-Y405 PolarHBondContact O-N 2.86Å; V402-Y405 WeakPolarHBondContact O-CB 3.11Å; V402-Y405 PolarHBondContact O-N 3.27Å; A403-Y405 VanDerWaalsContact C-N 3.33Å; A403-Y405 PolarHBondContact O-N 2.99Å; Y405-T407 VanDerWaalsContact C-N 3.27Å; Y405-T407 PolarHBondContact O-N 3.41Å; Y405-K408 PolarHBondContact O-N 2.94Å; Y405-H409 AromaticContact CD2-CD2 3.5Å; Y405-H409 AromaticContact CD2-NE2 3.95Å; Y405-H409 AromaticContact CE2-CD2 3.39Å; Y405-H409 WeakPolarHBondContact CE2-CD2 3.25Å; Y405-H409 AromaticContact CE2-NE2 3.73Å; Y405-H409 AromaticContact CG-CD2 4Å; Y405-H409 AromaticContact CZ-CD2 3.79Å; Y405-H409 PolarHBondContact O-CD2 2.92Å; Y405-H409 VanDerWaalsContact O-CD2 3.28Å; Y405-H409 PolarHBondContact O-N 3.21Å; Y405-L414 PolarHBondContact OH-O 2.88Å; Y405-H417 WeakPolarHBondContact CE1-O 3.29Å; Y405-P419 HydrophobicContact CD1-CB 3.86Å; Y405-P419 HydrophobicContact CD1-CG 4.19Å; Y405-P419 HydrophobicContact CD2-CB 3.75Å; Y405-P419 HydrophobicContact CE1-CB 4.19Å; Y405-P419 HydrophobicContact CE2-CB 4.07Å; Y405-P419 HydrophobicContact CG-CB 3.64Å; Y405-P419 HydrophobicContact CG-CG 4.32Å |
| 406 | Y | 94.2 | Very high | 94.2 | Very high | 25 Ų | 25 | 73.6 Ų | 73.6 | 10% | 0.098 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -70.1 | -25.6 | -177.2 | -71.9 | -68.9 | 0 | 0 | 0 | 113.1 | V402 A403 S410 R415 H417 P419 A595 I596 | V402-Y406 HydrophobicContact CG1-CD2 4.04Å; V402-Y406 HydrophobicContact CG1-CE2 3.77Å; V402-Y406 WeakPolarHBondContact O-CD2 3.41Å; V402-Y406 PolarHBondContact O-N 2.97Å; A403-Y406 PolarHBondContact O-N 3.25Å; Y406-S410 PolarHBondContact O-N 3.1Å; Y406-R415 VanDerWaalsContact CE1-O 3.3Å; Y406-R415 WeakPolarHBondContact CE1-O 3.47Å; Y406-R415 PolarHBondContact O-NH1 3.41Å; Y406-H417 PolarHBondContact OH-O 3.05Å; Y406-P419 HydrophobicContact CE2-CG 4.49Å; Y406-P419 WeakPolarHBondContact OH-CD 3.49Å; Y406-A595 HydrophobicContact CD1-CB 3.97Å; Y406-A595 HydrophobicContact CE1-CB 4.27Å; Y406-I596 HydrophobicContact CD2-CB 4.24Å; Y406-I596 HydrophobicContact CD2-CD1 4.48Å; Y406-I596 HydrophobicContact CD2-CG1 4.38Å; Y406-I596 HydrophobicContact CE2-CB 3.71Å; Y406-I596 HydrophobicContact CE2-CD1 3.98Å; Y406-I596 HydrophobicContact CE2-CG1 3.57Å; Y406-I596 VanDerWaalsContact CZ-CA 3.44Å; Y406-I596 WeakPolarHBondContact OH-CA 3.46Å |
| 407 | T | 92.9 | Very high | 94.1 | Very high | 103 Ų | 103 | 74.5 Ų | 74.5 | 63% | 0.632 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -68 | -50.8 | 171 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | A403 E404 Y405 H409 S410 | A403-T407 WeakPolarHBondContact O-CB 3.44Å; A403-T407 PolarHBondContact O-N 3.12Å; A403-T407 VanDerWaalsContact O-N 3.08Å; A403-T407 PolarHBondContact O-OG1 2.93Å; E404-T407 PolarHBondContact O-N 3.39Å; Y405-T407 VanDerWaalsContact C-N 3.27Å; Y405-T407 PolarHBondContact O-N 3.41Å; T407-H409 VanDerWaalsContact C-N 3.32Å; T407-H409 PolarHBondContact O-N 3.39Å; T407-S410 WeakPolarHBondContact O-CB 3.45Å; T407-S410 PolarHBondContact O-N 3.48Å; T407-S410 PolarHBondContact O-OG 2.63Å |
| 408 | K | 95.5 | Very high | 93.9 | Very high | 169 Ų | 169 | 72 Ų | 72 | 74% | 0.735 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.8 | -40.2 | 179 | -180 | -178 | 178.2 | -177.3 | 0 | 112.6 | E404 Y405 | E404-K408 VanDerWaalsContact O-CB 3.31Å; E404-K408 WeakPolarHBondContact O-CB 3.22Å; E404-K408 PolarHBondContact O-N 3.18Å; Y405-K408 PolarHBondContact O-N 2.94Å |
| 409 | H | 95.3 | Very high | 93.8 | Very high | 31 Ų | 31 | 71.9 Ų | 71.9 | 14% | 0.144 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 19 | -176 | -67.4 | -69.4 | 0 | 0 | 0 | 113.8 | Y405 T407 Q411 S412 L414 R415 | Y405-H409 AromaticContact CD2-CD2 3.5Å; Y405-H409 AromaticContact CD2-NE2 3.95Å; Y405-H409 AromaticContact CE2-CD2 3.39Å; Y405-H409 WeakPolarHBondContact CE2-CD2 3.25Å; Y405-H409 AromaticContact CE2-NE2 3.73Å; Y405-H409 AromaticContact CG-CD2 4Å; Y405-H409 AromaticContact CZ-CD2 3.79Å; Y405-H409 PolarHBondContact O-CD2 2.92Å; Y405-H409 VanDerWaalsContact O-CD2 3.28Å; Y405-H409 PolarHBondContact O-N 3.21Å; T407-H409 VanDerWaalsContact C-N 3.32Å; T407-H409 PolarHBondContact O-N 3.39Å; H409-Q411 PolarHBondContact O-N 2.79Å; H409-Q411 VanDerWaalsContact O-N 3.11Å; H409-S412 PolarHBondContact O-N 2.92Å; H409-L414 HydrophobicContact CB-CB 4.22Å; H409-R415 WeakPolarHBondContact O-CB 3.46Å |
| 410 | S | 92.3 | Very high | 93.9 | Very high | 52 Ų | 52 | 75.2 Ų | 75.2 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.6 | -175.3 | 55.4 | 0 | 0 | 0 | 0 | 116.1 | Y406 T407 R415 | Y406-S410 PolarHBondContact O-N 3.1Å; T407-S410 WeakPolarHBondContact O-CB 3.45Å; T407-S410 PolarHBondContact O-N 3.48Å; T407-S410 PolarHBondContact O-OG 2.63Å; S410-R415 VanDerWaalsContact O-CD 3.31Å; S410-R415 WeakPolarHBondContact O-CD 3.24Å |
| 411 | Q | 92.2 | Very high | 94.2 | Very high | 188 Ų | 188 | 70.2 Ų | 70.2 | 88% | 0.879 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | 18.8 | 178.2 | -60.9 | -65.6 | -20.9 | 0 | 0 | 112.5 | H409 | H409-Q411 PolarHBondContact O-N 2.79Å; H409-Q411 VanDerWaalsContact O-N 3.11Å |
| 412 | S | 93.7 | Very high | 94.2 | Very high | 39 Ų | 39 | 65.2 Ų | 65.2 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -112.7 | 151.6 | -175.3 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | H409 L414 R415 | H409-S412 PolarHBondContact O-N 2.92Å; S412-L414 PolarHBondContact O-N 2.98Å; S412-L414 VanDerWaalsContact O-N 3.1Å; S412-L414 PolarHBondContact OG-N 3.4Å; S412-R415 WeakPolarHBondContact O-CB 3.2Å; S412-R415 PolarHBondContact O-N 3.47Å |
| 413 | P | 89.2 | Confident | 94.3 | Very high | 107 Ų | 107 | 68.3 Ų | 68.3 | 70% | 0.695 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -55.9 | -24.4 | 168.5 | -25.6 | 35 | 0 | 0 | 0 | 113.8 | R415 H417 | P413-R415 PolarHBondContact O-N 2.96Å; P413-H417 PolarHBondContact O-ND1 2.61Å |
| 414 | L | 93.5 | Very high | 94.5 | Very high | 72 Ų | 72 | 68.6 Ų | 68.6 | 38% | 0.377 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -66.3 | -10.9 | 174.5 | -66.4 | 176.6 | 0 | 0 | 0 | 113.4 | Y405 H409 S412 W416 H417 | Y405-L414 PolarHBondContact OH-O 2.88Å; H409-L414 HydrophobicContact CB-CB 4.22Å; S412-L414 PolarHBondContact O-N 2.98Å; S412-L414 VanDerWaalsContact O-N 3.1Å; S412-L414 PolarHBondContact OG-N 3.4Å; L414-W416 PolarHBondContact O-N 2.89Å; L414-W416 VanDerWaalsContact O-N 3.08Å; L414-H417 WeakPolarHBondContact O-CB 3.23Å; L414-H417 PolarHBondContact O-N 3.5Å |
| 415 | R | 94.4 | Very high | 94.8 | Very high | 47 Ų | 47 | 63.7 Ų | 63.7 | 18% | 0.177 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -51.1 | -35.3 | 177 | -176.8 | 156.7 | -172.7 | 74.3 | -3.9 | 113.5 | Y406 H409 S410 S412 P413 D593 A595 | Y406-R415 VanDerWaalsContact CE1-O 3.3Å; Y406-R415 WeakPolarHBondContact CE1-O 3.47Å; Y406-R415 PolarHBondContact O-NH1 3.41Å; H409-R415 WeakPolarHBondContact O-CB 3.46Å; S410-R415 VanDerWaalsContact O-CD 3.31Å; S410-R415 WeakPolarHBondContact O-CD 3.24Å; S412-R415 WeakPolarHBondContact O-CB 3.2Å; S412-R415 PolarHBondContact O-N 3.47Å; P413-R415 PolarHBondContact O-N 2.96Å; R415-D593 IonicContact CZ-OD1 3.84Å; R415-D593 IonicContact CZ-OD2 3.69Å; R415-D593 IonicContact NE-OD1 2.81Å; R415-D593 IonicContact NE-OD2 3.7Å; R415-D593 PolarHBondContact NE-OD2 3.49Å; R415-D593 IonicContact NH2-OD1 2.8Å; R415-D593 PolarHBondContact NH2-OD1 2.95Å; R415-D593 IonicContact NH2-OD2 2.64Å; R415-D593 PolarHBondContact NH2-OD2 3.02Å; R415-A595 HydrophobicContact CG-CB 3.72Å; R415-A595 WeakPolarHBondContact O-CB 3.27Å |
| 416 | W | 95.6 | Very high | 94.9 | Very high | 47 Ų | 47 | 62.3 Ų | 62.3 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -96.9 | 11.5 | -176.6 | -45.5 | 106.3 | 0 | 0 | 0 | 113.5 | L414 G544 S545 P586 D593 A595 F601 | L414-W416 PolarHBondContact O-N 2.89Å; L414-W416 VanDerWaalsContact O-N 3.08Å; W416-G544 WeakPolarHBondContact CB-O 3.2Å; W416-S545 WeakPolarHBondContact O-CA 3.25Å; W416-P586 HydrophobicContact CH2-CB 3.67Å; W416-P586 HydrophobicContact CH2-CG 4.27Å; W416-P586 HydrophobicContact CZ2-CB 3.93Å; W416-P586 HydrophobicContact CZ2-CG 4.1Å; W416-D593 HydrophobicContact CH2-CB 4.07Å; W416-D593 HydrophobicContact CZ3-CB 4.49Å; W416-A595 HydrophobicContact CE3-CB 4.24Å; W416-A595 HydrophobicContact CZ3-CB 4.13Å; W416-F601 HydrophobicContact CD2-CE2 4.33Å; W416-F601 HydrophobicContact CD2-CZ 4.03Å; W416-F601 AromaticContact CE2-CZ 3.79Å; W416-F601 HydrophobicContact CE3-CE2 4.09Å; W416-F601 HydrophobicContact CE3-CZ 4.21Å; W416-F601 HydrophobicContact CH2-CE2 4.16Å; W416-F601 AromaticContact CH2-CZ 3.96Å; W416-F601 HydrophobicContact CH2-CZ 3.96Å; W416-F601 HydrophobicContact CZ2-CE2 4.39Å; W416-F601 AromaticContact CZ2-CZ 3.75Å; W416-F601 HydrophobicContact CZ2-CZ 3.75Å; W416-F601 HydrophobicContact CZ3-CE2 4.01Å; W416-F601 HydrophobicContact CZ3-CZ 4.18Å |
| 417 | H | 93.3 | Very high | 95.1 | Very high | 68 Ų | 68 | 65.3 Ų | 65.3 | 32% | 0.315 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -101.6 | 145.5 | 179.4 | -67.5 | 63.4 | 0 | 0 | 0 | 110.6 | Y405 Y406 P413 L414 A546 | Y405-H417 WeakPolarHBondContact CE1-O 3.29Å; Y406-H417 PolarHBondContact OH-O 3.05Å; P413-H417 PolarHBondContact O-ND1 2.61Å; L414-H417 WeakPolarHBondContact O-CB 3.23Å; L414-H417 PolarHBondContact O-N 3.5Å; H417-A546 WeakPolarHBondContact NE2-CB 3.25Å |
| 418 | A | 92.4 | Very high | 95.3 | Very high | 32 Ų | 32 | 64.7 Ų | 64.7 | 26% | 0.264 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 133.2 | 169 | 0 | 0 | 0 | 0 | 0 | 109.7 | I422 E423 | A418-I422 HydrophobicContact CB-CG2 4.36Å; A418-E423 WeakPolarHBondContact CB-OE1 3.25Å |
| 419 | P | 94.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.032 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -65 | 153.5 | 172.7 | 27.3 | -35.8 | 0 | 0 | 0 | 111.3 | V402 Y405 Y406 I421 I422 E423 | V402-P419 HydrophobicContact CG1-CG 4.46Å; V402-P419 HydrophobicContact CG2-CG 4.24Å; Y405-P419 HydrophobicContact CD1-CB 3.86Å; Y405-P419 HydrophobicContact CD1-CG 4.19Å; Y405-P419 HydrophobicContact CD2-CB 3.75Å; Y405-P419 HydrophobicContact CE1-CB 4.19Å; Y405-P419 HydrophobicContact CE2-CB 4.07Å; Y405-P419 HydrophobicContact CG-CB 3.64Å; Y405-P419 HydrophobicContact CG-CG 4.32Å; Y406-P419 HydrophobicContact CE2-CG 4.49Å; Y406-P419 WeakPolarHBondContact OH-CD 3.49Å; P419-I421 HydrophobicContact CB-CG2 4.1Å; P419-I421 HydrophobicContact CG-CG2 4.06Å; P419-I421 PolarHBondContact O-N 2.59Å; P419-I421 VanDerWaalsContact O-N 3.14Å; P419-I422 HydrophobicContact CG-CB 4.31Å; P419-I422 HydrophobicContact CG-CD1 3.88Å; P419-I422 HydrophobicContact CG-CG1 3.9Å; P419-I422 PolarHBondContact O-N 2.88Å; P419-E423 PolarHBondContact O-N 3.17Å |
| 420 | K | 95.9 | Very high | 95.6 | Very high | 141 Ų | 141 | 58.5 Ų | 58.5 | 61% | 0.613 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -53.8 | -37 | -178.8 | 179.6 | 54.8 | 178 | 143.6 | 0 | 113 | I422 E423 D424 | K420-I422 VanDerWaalsContact C-N 3.29Å; K420-I422 PolarHBondContact O-N 3.32Å; K420-E423 WeakPolarHBondContact O-CB 3.5Å; K420-E423 PolarHBondContact O-N 3.05Å; K420-E423 VanDerWaalsContact O-N 3.08Å; K420-D424 VanDerWaalsContact CE-OD1 3.23Å; K420-D424 WeakPolarHBondContact CE-OD1 3.22Å; K420-D424 IonicContact NZ-OD1 2.79Å; K420-D424 PolarHBondContact NZ-OD1 3.04Å; K420-D424 IonicContact NZ-OD2 3.82Å; K420-D424 PolarHBondContact O-N 2.78Å |
| 421 | I | 97.4 | Very high | 95.9 | Very high | 34 Ų | 34 | 63.6 Ų | 63.6 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.1 | -37.2 | 176.8 | -171.1 | 59.8 | 0 | 0 | 0 | 112.8 | A398 E401 V402 P419 D424 L425 | A398-I421 HydrophobicContact CB-CG1 3.93Å; E401-I421 HydrophobicContact CG-CG2 4.41Å; V402-I421 HydrophobicContact CG2-CG2 3.68Å; P419-I421 HydrophobicContact CB-CG2 4.1Å; P419-I421 HydrophobicContact CG-CG2 4.06Å; P419-I421 PolarHBondContact O-N 2.59Å; P419-I421 VanDerWaalsContact O-N 3.14Å; I421-D424 PolarHBondContact O-N 3.15Å; I421-L425 HydrophobicContact CG1-CD1 4.46Å; I421-L425 WeakPolarHBondContact O-CB 3.23Å; I421-L425 WeakPolarHBondContact O-CG 3.35Å; I421-L425 PolarHBondContact O-N 2.86Å |
| 422 | I | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 176 | -72.3 | -177.2 | 0 | 0 | 0 | 110.4 | V402 A418 P419 K420 L425 K426 F462 E465 | V402-I422 HydrophobicContact CG1-CD1 4.25Å; V402-I422 HydrophobicContact CG2-CD1 4.22Å; V402-I422 HydrophobicContact CG2-CG1 4.07Å; A418-I422 HydrophobicContact CB-CG2 4.36Å; P419-I422 HydrophobicContact CG-CB 4.31Å; P419-I422 HydrophobicContact CG-CD1 3.88Å; P419-I422 HydrophobicContact CG-CG1 3.9Å; P419-I422 PolarHBondContact O-N 2.88Å; K420-I422 VanDerWaalsContact C-N 3.29Å; K420-I422 PolarHBondContact O-N 3.32Å; I422-L425 PolarHBondContact O-N 3.2Å; I422-K426 HydrophobicContact CG2-CD 4.44Å; I422-K426 WeakPolarHBondContact O-CG 3.33Å; I422-K426 PolarHBondContact O-N 2.85Å; I422-F462 HydrophobicContact CD1-CB 3.85Å; I422-F462 HydrophobicContact CD1-CD2 3.97Å; I422-F462 HydrophobicContact CD1-CG 3.96Å; I422-F462 HydrophobicContact CG1-CD2 4.06Å; I422-E465 HydrophobicContact CG2-CG 4.26Å |
| 423 | E | 96.8 | Very high | 96.3 | Very high | 67 Ų | 67 | 58 Ų | 58 | 31% | 0.313 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 175.6 | -62.1 | -55.3 | 136.9 | 0 | 0 | 112.1 | A418 P419 K420 L425 K426 E427 | A418-E423 WeakPolarHBondContact CB-OE1 3.25Å; P419-E423 PolarHBondContact O-N 3.17Å; K420-E423 WeakPolarHBondContact O-CB 3.5Å; K420-E423 PolarHBondContact O-N 3.05Å; K420-E423 VanDerWaalsContact O-N 3.08Å; E423-L425 VanDerWaalsContact C-N 3.33Å; E423-L425 PolarHBondContact O-N 3.38Å; E423-K426 WeakPolarHBondContact O-CB 3.44Å; E423-K426 PolarHBondContact O-N 2.99Å; E423-K426 IonicContact OE1-NZ 2.62Å; E423-K426 PolarHBondContact OE1-NZ 3.47Å; E423-K426 IonicContact OE2-NZ 2.73Å; E423-E427 PolarHBondContact O-N 3.06Å; E423-E427 VanDerWaalsContact O-N 3.12Å |
| 424 | D | 98.1 | Very high | 96.7 | Very high | 62 Ų | 62 | 53 Ų | 53 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 175.1 | -68.1 | -27.4 | 0 | 0 | 0 | 112.2 | K420 I421 E427 K428 | K420-D424 VanDerWaalsContact CE-OD1 3.23Å; K420-D424 WeakPolarHBondContact CE-OD1 3.22Å; K420-D424 IonicContact NZ-OD1 2.79Å; K420-D424 PolarHBondContact NZ-OD1 3.04Å; K420-D424 IonicContact NZ-OD2 3.82Å; K420-D424 PolarHBondContact O-N 2.78Å; I421-D424 PolarHBondContact O-N 3.15Å; D424-E427 PolarHBondContact O-N 2.9Å; D424-K428 WeakPolarHBondContact O-CG 3.31Å; D424-K428 PolarHBondContact O-N 2.99Å |
| 425 | L | 98.6 | Very high | 97 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.5 | -40 | 174.2 | -71.3 | 173.7 | 0 | 0 | 0 | 112 | F390 A398 I421 I422 E423 K428 A429 F462 V466 | F390-L425 HydrophobicContact CE1-CD2 4.42Å; A398-L425 HydrophobicContact CB-CD1 4.02Å; I421-L425 HydrophobicContact CG1-CD1 4.46Å; I421-L425 WeakPolarHBondContact O-CB 3.23Å; I421-L425 WeakPolarHBondContact O-CG 3.35Å; I421-L425 PolarHBondContact O-N 2.86Å; I422-L425 PolarHBondContact O-N 3.2Å; E423-L425 VanDerWaalsContact C-N 3.33Å; E423-L425 PolarHBondContact O-N 3.38Å; L425-K428 PolarHBondContact O-N 3.08Å; L425-A429 WeakPolarHBondContact O-CB 3.25Å; L425-A429 PolarHBondContact O-N 3.32Å; L425-F462 HydrophobicContact CD1-CE2 4.18Å; L425-V466 HydrophobicContact CB-CB 4.5Å; L425-V466 HydrophobicContact CB-CG1 3.8Å; L425-V466 HydrophobicContact CB-CG2 3.9Å; L425-V466 HydrophobicContact CD1-CG2 4.12Å |
| 426 | K | 98.6 | Very high | 97.2 | Very high | 15 Ų | 15 | 49.3 Ų | 49.3 | 7% | 0.065 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 174.3 | -73 | 170.9 | -176.2 | 168.4 | 0 | 111.2 | I422 E423 K428 A429 K430 W435 E465 | I422-K426 HydrophobicContact CG2-CD 4.44Å; I422-K426 WeakPolarHBondContact O-CG 3.33Å; I422-K426 PolarHBondContact O-N 2.85Å; E423-K426 WeakPolarHBondContact O-CB 3.44Å; E423-K426 PolarHBondContact O-N 2.99Å; E423-K426 IonicContact OE1-NZ 2.62Å; E423-K426 PolarHBondContact OE1-NZ 3.47Å; E423-K426 IonicContact OE2-NZ 2.73Å; K426-K428 PolarHBondContact O-N 3.14Å; K426-A429 PolarHBondContact O-N 2.66Å; K426-K430 WeakPolarHBondContact O-CG 3.4Å; K426-K430 PolarHBondContact O-N 2.83Å; K426-W435 HydrophobicContact CB-CH2 3.92Å; K426-W435 HydrophobicContact CB-CZ3 3.71Å; K426-W435 HydrophobicContact CD-CH2 4.26Å; K426-W435 HydrophobicContact CG-CH2 3.97Å; K426-W435 HydrophobicContact CG-CZ3 3.87Å; K426-E465 WeakPolarHBondContact CE-O 3.3Å; K426-E465 WeakPolarHBondContact CE-OE1 3.33Å; K426-E465 IonicContact NZ-OE1 2.81Å; K426-E465 PolarHBondContact NZ-OE1 2.87Å |
| 427 | E | 98.4 | Very high | 97.3 | Very high | 88 Ų | 88 | 47.4 Ų | 47.4 | 41% | 0.411 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.4 | -39.8 | 178.2 | -69 | -54.3 | 127.1 | 0 | 0 | 112.4 | E423 D424 K430 Q431 | E423-E427 PolarHBondContact O-N 3.06Å; E423-E427 VanDerWaalsContact O-N 3.12Å; D424-E427 PolarHBondContact O-N 2.9Å; E427-K430 PolarHBondContact O-N 3.25Å; E427-K430 IonicContact OE1-NZ 2.61Å; E427-K430 PolarHBondContact OE1-NZ 2.75Å; E427-Q431 VanDerWaalsContact O-CG 3.29Å; E427-Q431 WeakPolarHBondContact O-CG 3.48Å; E427-Q431 PolarHBondContact O-N 2.92Å |
| 428 | K | 98.5 | Very high | 97.5 | Very high | 90 Ų | 90 | 44.2 Ų | 44.2 | 39% | 0.391 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 171.7 | -74.9 | 169.4 | 176.8 | -76.6 | 0 | 112.3 | F390 Y394 D424 L425 K426 Q431 A432 | F390-K428 HydrophobicContact CE2-CB 3.94Å; F390-K428 HydrophobicContact CZ-CB 3.86Å; Y394-K428 HydrophobicContact CD1-CD 4.43Å; D424-K428 WeakPolarHBondContact O-CG 3.31Å; D424-K428 PolarHBondContact O-N 2.99Å; L425-K428 PolarHBondContact O-N 3.08Å; K426-K428 PolarHBondContact O-N 3.14Å; K428-Q431 PolarHBondContact O-N 3.12Å; K428-A432 WeakPolarHBondContact O-CB 3.39Å; K428-A432 PolarHBondContact O-N 3.41Å |
| 429 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F390 L425 K426 A432 G433 L434 W435 V466 F467 | F390-A429 HydrophobicContact CE1-CB 4.47Å; F390-A429 HydrophobicContact CE2-CB 4.34Å; F390-A429 HydrophobicContact CZ-CB 3.96Å; L425-A429 WeakPolarHBondContact O-CB 3.25Å; L425-A429 PolarHBondContact O-N 3.32Å; K426-A429 PolarHBondContact O-N 2.66Å; A429-A432 CarbonylContact O-C 3.57Å; A429-A432 PolarHBondContact O-N 2.83Å; A429-G433 PolarHBondContact O-N 3.25Å; A429-G433 VanDerWaalsContact O-N 3.15Å; A429-L434 HydrophobicContact CB-CB 4.46Å; A429-L434 PolarHBondContact O-N 3.07Å; A429-W435 HydrophobicContact CB-CE3 4.43Å; A429-V466 HydrophobicContact CB-CG1 4.12Å; A429-V466 WeakPolarHBondContact CB-O 3.4Å; A429-F467 HydrophobicContact CB-CD1 3.95Å; A429-F467 HydrophobicContact CB-CE1 4.27Å |
| 430 | K | 98.4 | Very high | 97.5 | Very high | 69 Ų | 69 | 45.4 Ų | 45.4 | 30% | 0.3 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.5 | -47.3 | 172.7 | -71.7 | 174.3 | -174.3 | 171.9 | 0 | 111.9 | K426 E427 A432 G433 W435 S498 | K426-K430 WeakPolarHBondContact O-CG 3.4Å; K426-K430 PolarHBondContact O-N 2.83Å; E427-K430 PolarHBondContact O-N 3.25Å; E427-K430 IonicContact OE1-NZ 2.61Å; E427-K430 PolarHBondContact OE1-NZ 2.75Å; K430-A432 VanDerWaalsContact C-N 3.25Å; K430-A432 PolarHBondContact O-N 2.86Å; K430-G433 PolarHBondContact O-N 3.23Å; K430-W435 HydrophobicContact CD-CD2 4.42Å; K430-W435 HydrophobicContact CD-CZ2 4.42Å; K430-W435 VanDerWaalsContact CE-CH2 3.47Å; K430-W435 HydrophobicContact CG-CB 4.43Å; K430-W435 HydrophobicContact CG-CD2 3.56Å; K430-W435 HydrophobicContact CG-CE3 3.6Å; K430-W435 HydrophobicContact CG-CG 3.94Å; K430-W435 HydrophobicContact CG-CH2 4.42Å; K430-W435 HydrophobicContact CG-CZ2 4.39Å; K430-W435 HydrophobicContact CG-CZ3 4.04Å; K430-S498 VanDerWaalsContact CE-O 3.28Å; K430-S498 WeakPolarHBondContact CE-O 3.39Å; K430-S498 PolarHBondContact NZ-O 3.04Å |
| 431 | Q | 98.1 | Very high | 97.3 | Very high | 160 Ų | 160 | 42.1 Ų | 42.1 | 75% | 0.748 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -61.4 | -34 | 177.7 | -71.1 | 169.2 | 11.6 | 0 | 0 | 112.6 | E427 K428 G433 | E427-Q431 VanDerWaalsContact O-CG 3.29Å; E427-Q431 WeakPolarHBondContact O-CG 3.48Å; E427-Q431 PolarHBondContact O-N 2.92Å; K428-Q431 PolarHBondContact O-N 3.12Å; Q431-G433 VanDerWaalsContact C-N 3.28Å; Q431-G433 PolarHBondContact O-N 3.08Å |
| 432 | A | 96.6 | Very high | 97.2 | Very high | 53 Ų | 53 | 44.2 Ų | 44.2 | 44% | 0.438 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -2.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K428 A429 K430 L434 | K428-A432 WeakPolarHBondContact O-CB 3.39Å; K428-A432 PolarHBondContact O-N 3.41Å; A429-A432 CarbonylContact O-C 3.57Å; A429-A432 PolarHBondContact O-N 2.83Å; K430-A432 VanDerWaalsContact C-N 3.25Å; K430-A432 PolarHBondContact O-N 2.86Å; A432-L434 VanDerWaalsContact C-N 3.25Å; A432-L434 HydrophobicContact CB-CD1 4.24Å; A432-L434 HydrophobicContact CB-CG 4.07Å; A432-L434 PolarHBondContact O-N 3.13Å |
| 433 | G | 97.6 | Very high | 97.1 | Very high | 55 Ų | 55 | 44.9 Ų | 44.9 | 57% | 0.567 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 13.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A429 K430 Q431 W435 | A429-G433 PolarHBondContact O-N 3.25Å; A429-G433 VanDerWaalsContact O-N 3.15Å; K430-G433 PolarHBondContact O-N 3.23Å; Q431-G433 VanDerWaalsContact C-N 3.28Å; Q431-G433 PolarHBondContact O-N 3.08Å; G433-W435 VanDerWaalsContact C-N 3.35Å; G433-W435 PolarHBondContact O-N 3.38Å |
| 434 | L | 98.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | trans | -92 | 60.7 | -179.3 | -58.7 | -179.2 | 0 | 0 | 0 | 110.8 | V383 Q386 V387 F390 A429 A432 L437 F467 | V383-L434 HydrophobicContact CG1-CD2 4.1Å; Q386-L434 HydrophobicContact CB-CD1 4.29Å; Q386-L434 HydrophobicContact CB-CD2 3.91Å; V387-L434 HydrophobicContact CG2-CD1 4.31Å; V387-L434 HydrophobicContact CG2-CD2 4.04Å; F390-L434 HydrophobicContact CB-CD1 3.87Å; F390-L434 HydrophobicContact CD2-CD1 3.97Å; F390-L434 HydrophobicContact CG-CD1 4.03Å; A429-L434 HydrophobicContact CB-CB 4.46Å; A429-L434 PolarHBondContact O-N 3.07Å; A432-L434 VanDerWaalsContact C-N 3.25Å; A432-L434 HydrophobicContact CB-CD1 4.24Å; A432-L434 HydrophobicContact CB-CG 4.07Å; A432-L434 PolarHBondContact O-N 3.13Å; L434-L437 HydrophobicContact CB-CD1 4.48Å; L434-F467 HydrophobicContact CB-CD1 3.8Å; L434-F467 HydrophobicContact CB-CE1 3.96Å; L434-F467 HydrophobicContact CD1-CE1 4.03Å; L434-F467 VanDerWaalsContact O-CD1 3.3Å; L434-F467 WeakPolarHBondContact O-CD1 3.34Å | ||
| 435 | W | 98.7 | Very high | 96.6 | Very high | 33 Ų | 33 | 41.2 Ų | 41.2 | 13% | 0.125 | 25% | 0.25 | C | S | . | . | trans | -138 | 140.5 | -171 | -165.7 | -102.7 | 0 | 0 | 0 | 112 | K426 A429 K430 G433 L437 V466 N468 L497 | K426-W435 HydrophobicContact CB-CH2 3.92Å; K426-W435 HydrophobicContact CB-CZ3 3.71Å; K426-W435 HydrophobicContact CD-CH2 4.26Å; K426-W435 HydrophobicContact CG-CH2 3.97Å; K426-W435 HydrophobicContact CG-CZ3 3.87Å; A429-W435 HydrophobicContact CB-CE3 4.43Å; K430-W435 HydrophobicContact CD-CD2 4.42Å; K430-W435 HydrophobicContact CD-CZ2 4.42Å; K430-W435 VanDerWaalsContact CE-CH2 3.47Å; K430-W435 HydrophobicContact CG-CB 4.43Å; K430-W435 HydrophobicContact CG-CD2 3.56Å; K430-W435 HydrophobicContact CG-CE3 3.6Å; K430-W435 HydrophobicContact CG-CG 3.94Å; K430-W435 HydrophobicContact CG-CH2 4.42Å; K430-W435 HydrophobicContact CG-CZ2 4.39Å; K430-W435 HydrophobicContact CG-CZ3 4.04Å; G433-W435 VanDerWaalsContact C-N 3.35Å; G433-W435 PolarHBondContact O-N 3.38Å; W435-L437 PolarHBondContact O-N 3.48Å; W435-V466 WeakPolarHBondContact CZ3-O 2.81Å; W435-N468 HydrophobicContact CD2-CB 3.8Å; W435-N468 VanDerWaalsContact CE2-CB 3.46Å; W435-N468 HydrophobicContact CE3-CB 4.04Å; W435-N468 HydrophobicContact CH2-CB 3.72Å; W435-N468 HydrophobicContact CZ2-CB 3.43Å; W435-N468 VanDerWaalsContact CZ2-CB 3.43Å; W435-N468 HydrophobicContact CZ3-CB 4.01Å; W435-L497 PolarHBondContact NE1-O 2.96Å | ||
| 436 | N | 98.6 | Very high | 96.3 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 55.6 | 33.6 | -177.9 | -60.4 | -33.5 | 0 | 0 | 0 | 113.9 | F438 L439 V442 F467 N468 L497 | N436-F438 HydrophobicContact CB-CE1 4.35Å; N436-F438 PolarHBondContact O-N 3.46Å; N436-F438 VanDerWaalsContact O-N 3.09Å; N436-L439 PolarHBondContact O-N 3.23Å; N436-V442 HydrophobicContact CB-CG1 4.07Å; N436-F467 PolarHBondContact N-O 2.76Å; N436-F467 VanDerWaalsContact N-O 3.13Å; N436-N468 WeakPolarHBondContact OD1-CB 3.45Å; N436-N468 PolarHBondContact OD1-ND2 3.5Å; N436-L497 HydrophobicContact CB-CD2 4.36Å; N436-L497 PolarHBondContact ND2-O 3.36Å |
| 437 | L | 98.6 | Very high | 96.1 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.3 | -171.9 | -60.1 | -179.6 | 0 | 0 | 0 | 113.4 | V383 V387 L434 W435 L439 S443 L445 Y450 I453 M457 | V383-L437 HydrophobicContact CG1-CD1 4.07Å; V383-L437 HydrophobicContact CG1-CD2 4.09Å; V387-L437 HydrophobicContact CG2-CD1 3.86Å; L434-L437 HydrophobicContact CB-CD1 4.48Å; W435-L437 PolarHBondContact O-N 3.48Å; L437-L439 VanDerWaalsContact C-N 3.3Å; L437-L439 PolarHBondContact O-N 3.36Å; L437-S443 WeakPolarHBondContact O-CB 3.16Å; L437-S443 PolarHBondContact O-OG 2.88Å; L437-L445 HydrophobicContact CB-CD1 4.28Å; L437-L445 HydrophobicContact CD2-CD1 4.24Å; L437-Y450 HydrophobicContact CB-CD2 4.14Å; L437-Y450 HydrophobicContact CB-CE2 4.06Å; L437-I453 HydrophobicContact CD1-CG2 3.99Å; L437-M457 HydrophobicContact CD1-CE 3.75Å |
| 438 | F | 97.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -23.5 | -179.1 | 77.6 | -82.3 | 0 | 0 | 0 | 114.7 | N436 P440 Y450 N468 T474 M477 E478 | N436-F438 HydrophobicContact CB-CE1 4.35Å; N436-F438 PolarHBondContact O-N 3.46Å; N436-F438 VanDerWaalsContact O-N 3.09Å; F438-P440 WeakPolarHBondContact O-CD 3.41Å; F438-Y450 VanDerWaalsContact CA-CE2 3.49Å; F438-Y450 HydrophobicContact CB-CD1 4.28Å; F438-Y450 HydrophobicContact CB-CD2 4.42Å; F438-Y450 HydrophobicContact CB-CE1 3.63Å; F438-Y450 HydrophobicContact CB-CE2 3.8Å; F438-Y450 WeakPolarHBondContact CB-OH 3.34Å; F438-N468 WeakPolarHBondContact CE1-O 3.34Å; F438-T474 HydrophobicContact CB-CG2 4.28Å; F438-T474 HydrophobicContact CD1-CG2 3.52Å; F438-T474 HydrophobicContact CD2-CG2 3.76Å; F438-T474 HydrophobicContact CE1-CG2 3.7Å; F438-T474 HydrophobicContact CE2-CG2 3.92Å; F438-T474 WeakPolarHBondContact CE2-O 3.48Å; F438-T474 HydrophobicContact CG-CG2 3.56Å; F438-T474 HydrophobicContact CZ-CG2 3.9Å; F438-M477 HydrophobicContact CE1-CE 3.58Å; F438-M477 HydrophobicContact CE1-SD 4.25Å; F438-M477 HydrophobicContact CE2-CB 4.4Å; F438-M477 HydrophobicContact CZ-CB 3.91Å; F438-M477 HydrophobicContact CZ-CE 3.51Å; F438-M477 HydrophobicContact CZ-CG 4.47Å; F438-M477 HydrophobicContact CZ-SD 3.88Å; F438-E478 HydrophobicContact CD2-CG 4.49Å; F438-E478 HydrophobicContact CE2-CG 4.05Å |
| 439 | L | 95.7 | Very high | 95.8 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | trans | -103 | 104.8 | -168.2 | -170.8 | 61.7 | 0 | 0 | 0 | 110.9 | N436 L437 A441 V442 S443 E478 L497 | N436-L439 PolarHBondContact O-N 3.23Å; L437-L439 VanDerWaalsContact C-N 3.3Å; L437-L439 PolarHBondContact O-N 3.36Å; L439-A441 VanDerWaalsContact C-N 3.26Å; L439-A441 PolarHBondContact O-N 2.95Å; L439-A441 VanDerWaalsContact O-N 3.13Å; L439-V442 HydrophobicContact CB-CB 4.47Å; L439-V442 HydrophobicContact CD2-CB 4.5Å; L439-V442 HydrophobicContact CD2-CG2 3.72Å; L439-V442 HydrophobicContact CG-CG2 4.23Å; L439-V442 PolarHBondContact O-N 2.93Å; L439-S443 PolarHBondContact O-N 3.38Å; L439-S443 PolarHBondContact O-OG 3.28Å; L439-E478 HydrophobicContact CD1-CG 4.13Å; L439-L497 HydrophobicContact CD2-CD2 4.07Å | ||
| 440 | P | 91.6 | Very high | 95.8 | Very high | 55 Ų | 55 | 35.2 Ų | 35.2 | 36% | 0.357 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.8 | -36 | -172.2 | -29.2 | 37.6 | 0 | 0 | 0 | 114.4 | F438 V442 G444 L445 | F438-P440 WeakPolarHBondContact O-CD 3.41Å; P440-V442 PolarHBondContact O-N 3.44Å; P440-G444 VanDerWaalsContact O-CA 3.25Å; P440-G444 WeakPolarHBondContact O-CA 3.37Å; P440-G444 PolarHBondContact O-N 3.45Å; P440-L445 WeakPolarHBondContact CA-O 3.3Å; P440-L445 VanDerWaalsContact CB-O 3.31Å; P440-L445 WeakPolarHBondContact CB-O 3.34Å |
| 441 | A | 91.7 | Very high | 95.7 | Very high | 73 Ų | 73 | 32 Ų | 32 | 60% | 0.603 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -66 | -18.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L439 | L439-A441 VanDerWaalsContact C-N 3.26Å; L439-A441 PolarHBondContact O-N 2.95Å; L439-A441 VanDerWaalsContact O-N 3.13Å |
| 442 | V | 94.6 | Very high | 95.7 | Very high | 77 Ų | 77 | 25.5 Ų | 25.5 | 47% | 0.467 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -105.3 | -51 | 177.7 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | N436 L439 P440 | N436-V442 HydrophobicContact CB-CG1 4.07Å; L439-V442 HydrophobicContact CB-CB 4.47Å; L439-V442 HydrophobicContact CD2-CB 4.5Å; L439-V442 HydrophobicContact CD2-CG2 3.72Å; L439-V442 HydrophobicContact CG-CG2 4.23Å; L439-V442 PolarHBondContact O-N 2.93Å; P440-V442 PolarHBondContact O-N 3.44Å |
| 443 | S | 94.4 | Very high | 95.8 | Very high | 14 Ų | 14 | 23 Ų | 23 | 10% | 0.098 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -77.3 | -25.3 | -174.3 | 67.1 | 0 | 0 | 0 | 0 | 113 | K379 L437 L439 L445 | K379-S443 WeakPolarHBondContact CE-O 3.34Å; K379-S443 PolarHBondContact NZ-O 3.15Å; L437-S443 WeakPolarHBondContact O-CB 3.16Å; L437-S443 PolarHBondContact O-OG 2.88Å; L439-S443 PolarHBondContact O-N 3.38Å; L439-S443 PolarHBondContact O-OG 3.28Å; S443-L445 PolarHBondContact O-N 3.01Å; S443-L445 WeakPolarHBondContact OG-CB 3.46Å; S443-L445 PolarHBondContact OG-N 2.93Å |
| 444 | G | 91.6 | Very high | 95.9 | Very high | 48 Ų | 48 | 20.3 Ų | 20.3 | 50% | 0.495 | 13% | 0.134 | S | C | . | . | trans | 62.7 | 24.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113 | P440 | P440-G444 VanDerWaalsContact O-CA 3.25Å; P440-G444 WeakPolarHBondContact O-CA 3.37Å; P440-G444 PolarHBondContact O-N 3.45Å | ||
| 445 | L | 93.6 | Very high | 95.9 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | trans | -99 | 144.7 | 174.5 | -64.6 | 173.4 | 0 | 0 | 0 | 110.1 | K379 V383 L437 P440 S443 D449 I453 | K379-L445 HydrophobicContact CD-CD2 4.4Å; K379-L445 HydrophobicContact CG-CD2 4.06Å; V383-L445 HydrophobicContact CG1-CD1 4.26Å; V383-L445 HydrophobicContact CG2-CD2 4.4Å; L437-L445 HydrophobicContact CB-CD1 4.28Å; L437-L445 HydrophobicContact CD2-CD1 4.24Å; P440-L445 WeakPolarHBondContact CA-O 3.3Å; P440-L445 VanDerWaalsContact CB-O 3.31Å; P440-L445 WeakPolarHBondContact CB-O 3.34Å; S443-L445 PolarHBondContact O-N 3.01Å; S443-L445 WeakPolarHBondContact OG-CB 3.46Å; S443-L445 PolarHBondContact OG-N 2.93Å; L445-D449 HydrophobicContact CB-CB 4.2Å; L445-D449 HydrophobicContact CD2-CB 4.09Å; L445-I453 HydrophobicContact CD1-CD1 3.71Å | ||
| 446 | T | 92.5 | Very high | 95.9 | Very high | 48 Ų | 48 | 21.4 Ų | 21.4 | 29% | 0.294 | 14% | 0.141 | S | C | . | . | trans | -73.8 | 163.5 | 168.7 | 64.1 | 0 | 0 | 0 | 0 | 110.6 | T377 L448 D449 Y450 D698 | T377-T446 HydrophobicContact CG2-CG2 4.43Å; T446-L448 PolarHBondContact O-N 2.76Å; T446-D449 PolarHBondContact N-OD2 3.17Å; T446-D449 PolarHBondContact O-N 2.68Å; T446-D449 WeakPolarHBondContact OG1-CB 3.48Å; T446-D449 PolarHBondContact OG1-N 2.64Å; T446-D449 PolarHBondContact OG1-OD2 2.98Å; T446-Y450 WeakPolarHBondContact O-CB 3.39Å; T446-Y450 PolarHBondContact O-N 3.48Å; T446-D698 WeakPolarHBondContact CB-OD2 3.46Å | ||
| 447 | Q | 93.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 21 Ų | 21 | 6% | 0.061 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.8 | -32.9 | 172.6 | -66.4 | -66.9 | -51 | 0 | 0 | 111 | Y450 A451 H636 M639 A694 L697 D698 | Q447-Y450 PolarHBondContact O-N 2.9Å; Q447-A451 WeakPolarHBondContact O-CB 3.29Å; Q447-A451 PolarHBondContact O-N 3.48Å; Q447-H636 PolarHBondContact OE1-NE2 2.72Å; Q447-H636 VanDerWaalsContact OE1-NE2 3.09Å; Q447-M639 WeakPolarHBondContact O-CE 3.48Å; Q447-A694 HydrophobicContact CB-CB 4.44Å; Q447-L697 HydrophobicContact CB-CD2 4.22Å; Q447-L697 HydrophobicContact CG-CD2 3.73Å; Q447-L697 HydrophobicContact CG-CG 4.15Å; Q447-D698 VanDerWaalsContact CB-OD1 3.31Å; Q447-D698 WeakPolarHBondContact CB-OD1 3.5Å; Q447-D698 PolarHBondContact N-OD1 2.8Å; Q447-D698 PolarHBondContact N-OD2 2.7Å |
| 448 | L | 94.8 | Very high | 95.9 | Very high | 9 Ų | 9 | 21.3 Ų | 21.3 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 173.2 | 178.3 | 58.7 | 0 | 0 | 0 | 112.3 | F374 P375 T446 Y450 A451 Y452 L691 A694 H695 D698 | F374-L448 HydrophobicContact CB-CD1 3.5Å; F374-L448 HydrophobicContact CB-CD2 3.8Å; F374-L448 HydrophobicContact CB-CG 4.28Å; F374-L448 HydrophobicContact CG-CD1 4.36Å; P375-L448 VanDerWaalsContact O-CD2 3.28Å; P375-L448 WeakPolarHBondContact O-CD2 3.43Å; T446-L448 PolarHBondContact O-N 2.76Å; L448-Y450 VanDerWaalsContact C-N 3.34Å; L448-Y450 PolarHBondContact O-N 2.98Å; L448-A451 VanDerWaalsContact O-CB 3.32Å; L448-A451 WeakPolarHBondContact O-CB 3.29Å; L448-A451 PolarHBondContact O-N 2.77Å; L448-Y452 HydrophobicContact CD1-CE2 3.95Å; L448-Y452 HydrophobicContact CG-CE2 4.43Å; L448-Y452 WeakPolarHBondContact O-CD2 3.32Å; L448-L691 HydrophobicContact CD1-CB 4.12Å; L448-L691 HydrophobicContact CD1-CD2 3.71Å; L448-A694 HydrophobicContact CB-CB 4.43Å; L448-A694 HydrophobicContact CD1-CB 4.46Å; L448-H695 HydrophobicContact CD2-CB 4.49Å; L448-D698 WeakPolarHBondContact CB-OD2 3.19Å; L448-D698 PolarHBondContact N-OD2 3.29Å |
| 449 | D | 96.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 175.2 | -67.1 | -42.3 | 0 | 0 | 0 | 110.9 | Q376 T377 L445 T446 A451 Y452 I453 | Q376-D449 WeakPolarHBondContact CA-OD1 3.4Å; T377-D449 VanDerWaalsContact CG2-OD2 3.25Å; T377-D449 WeakPolarHBondContact CG2-OD2 3.28Å; T377-D449 PolarHBondContact N-OD1 2.81Å; T377-D449 PolarHBondContact OG1-OD1 3.02Å; T377-D449 PolarHBondContact OG1-OD2 2.97Å; L445-D449 HydrophobicContact CB-CB 4.2Å; L445-D449 HydrophobicContact CD2-CB 4.09Å; T446-D449 PolarHBondContact N-OD2 3.17Å; T446-D449 PolarHBondContact O-N 2.68Å; T446-D449 WeakPolarHBondContact OG1-CB 3.48Å; T446-D449 PolarHBondContact OG1-N 2.64Å; T446-D449 PolarHBondContact OG1-OD2 2.98Å; D449-A451 PolarHBondContact O-N 3.45Å; D449-Y452 PolarHBondContact O-N 3.4Å; D449-I453 PolarHBondContact O-N 2.9Å |
| 450 | Y | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.6 | -28.4 | 177.4 | -175.4 | -114.8 | 0 | 0 | 0 | 112.6 | L437 F438 T446 Q447 L448 Y452 I453 A454 C469 H636 M639 | L437-Y450 HydrophobicContact CB-CD2 4.14Å; L437-Y450 HydrophobicContact CB-CE2 4.06Å; F438-Y450 VanDerWaalsContact CA-CE2 3.49Å; F438-Y450 HydrophobicContact CB-CD1 4.28Å; F438-Y450 HydrophobicContact CB-CD2 4.42Å; F438-Y450 HydrophobicContact CB-CE1 3.63Å; F438-Y450 HydrophobicContact CB-CE2 3.8Å; F438-Y450 WeakPolarHBondContact CB-OH 3.34Å; T446-Y450 WeakPolarHBondContact O-CB 3.39Å; T446-Y450 PolarHBondContact O-N 3.48Å; Q447-Y450 PolarHBondContact O-N 2.9Å; L448-Y450 VanDerWaalsContact C-N 3.34Å; L448-Y450 PolarHBondContact O-N 2.98Å; Y450-Y452 PolarHBondContact O-N 2.78Å; Y450-I453 HydrophobicContact CD2-CB 4.39Å; Y450-I453 HydrophobicContact CD2-CG2 4.32Å; Y450-I453 HydrophobicContact CE2-CG2 4.44Å; Y450-I453 PolarHBondContact O-N 3.01Å; Y450-I453 VanDerWaalsContact O-N 3.15Å; Y450-A454 HydrophobicContact CD1-CB 4.31Å; Y450-A454 HydrophobicContact CE1-CB 3.9Å; Y450-A454 HydrophobicContact CE2-CB 4.3Å; Y450-A454 VanDerWaalsContact O-CB 3.29Å; Y450-A454 WeakPolarHBondContact O-CB 3.42Å; Y450-A454 PolarHBondContact O-N 3.01Å; Y450-C469 WeakPolarHBondContact OH-CB 3.13Å; Y450-H636 AromaticContact CD1-CD2 3.83Å; Y450-H636 AromaticContact CD1-NE2 3.83Å; Y450-H636 HydrophobicContact CE1-CB 4.47Å; Y450-H636 AromaticContact CE1-CD2 3.57Å; Y450-H636 AromaticContact CE1-CG 3.8Å; Y450-H636 AromaticContact CE1-NE2 3.71Å; Y450-M639 HydrophobicContact CD1-SD 4.12Å; Y450-M639 HydrophobicContact CE1-SD 4.38Å |
| 451 | A | 98.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.4 | -45.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q447 L448 D449 I453 E455 M639 L691 A694 | Q447-A451 WeakPolarHBondContact O-CB 3.29Å; Q447-A451 PolarHBondContact O-N 3.48Å; L448-A451 VanDerWaalsContact O-CB 3.32Å; L448-A451 WeakPolarHBondContact O-CB 3.29Å; L448-A451 PolarHBondContact O-N 2.77Å; D449-A451 PolarHBondContact O-N 3.45Å; A451-I453 VanDerWaalsContact C-N 3.34Å; A451-E455 WeakPolarHBondContact O-CB 3.39Å; A451-E455 PolarHBondContact O-N 2.8Å; A451-M639 HydrophobicContact CB-CE 3.45Å; A451-M639 VanDerWaalsContact CB-CE 3.45Å; A451-M639 HydrophobicContact CB-CG 3.92Å; A451-M639 HydrophobicContact CB-SD 4.11Å; A451-L691 HydrophobicContact CB-CD2 3.79Å; A451-A694 HydrophobicContact CB-CB 4.1Å |
| 452 | Y | 97.8 | Very high | 96.1 | Very high | 22 Ų | 22 | 20.2 Ų | 20.2 | 9% | 0.086 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.3 | -34.9 | 177 | -67.5 | -84.1 | 0 | 0 | 0 | 112.2 | R372 F374 Q376 L384 L448 D449 Y450 E455 E456 L691 | R372-Y452 WeakPolarHBondContact CD-OH 3.5Å; F374-Y452 PolarHBondContact O-OH 3.33Å; Q376-Y452 HydrophobicContact CG-CD2 3.22Å; Q376-Y452 HydrophobicContact CG-CE2 3.28Å; Q376-Y452 HydrophobicContact CG-CG 4.05Å; L384-Y452 WeakPolarHBondContact CD1-O 3.43Å; L448-Y452 HydrophobicContact CD1-CE2 3.95Å; L448-Y452 HydrophobicContact CG-CE2 4.43Å; L448-Y452 WeakPolarHBondContact O-CD2 3.32Å; D449-Y452 PolarHBondContact O-N 3.4Å; Y450-Y452 PolarHBondContact O-N 2.78Å; Y452-E455 WeakPolarHBondContact O-CB 3.46Å; Y452-E456 PolarHBondContact O-N 3.03Å; Y452-L691 HydrophobicContact CD1-CD2 4.29Å; Y452-L691 HydrophobicContact CD2-CD2 3.85Å; Y452-L691 HydrophobicContact CE1-CD1 3.85Å; Y452-L691 HydrophobicContact CE1-CD2 3.93Å; Y452-L691 HydrophobicContact CE2-CD1 4.39Å; Y452-L691 HydrophobicContact CE2-CD2 3.46Å; Y452-L691 VanDerWaalsContact CE2-CD2 3.46Å; Y452-L691 HydrophobicContact CG-CD2 4.27Å; Y452-L691 WeakPolarHBondContact OH-CD1 3.42Å |
| 453 | I | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -69.3 | -44.7 | 178.7 | -69.2 | 162.6 | 0 | 0 | 0 | 110.7 | V383 L384 V387 L437 L445 D449 Y450 A451 E455 E456 M457 | V383-I453 HydrophobicContact CB-CD1 4.1Å; V383-I453 HydrophobicContact CG1-CD1 3.7Å; L384-I453 HydrophobicContact CB-CG1 4.02Å; L384-I453 HydrophobicContact CD1-CG1 4.15Å; V387-I453 HydrophobicContact CG1-CG2 4.43Å; V387-I453 HydrophobicContact CG2-CG2 4.06Å; L437-I453 HydrophobicContact CD1-CG2 3.99Å; L445-I453 HydrophobicContact CD1-CD1 3.71Å; D449-I453 PolarHBondContact O-N 2.9Å; Y450-I453 HydrophobicContact CD2-CB 4.39Å; Y450-I453 HydrophobicContact CD2-CG2 4.32Å; Y450-I453 HydrophobicContact CE2-CG2 4.44Å; Y450-I453 PolarHBondContact O-N 3.01Å; Y450-I453 VanDerWaalsContact O-N 3.15Å; A451-I453 VanDerWaalsContact C-N 3.34Å; I453-E455 VanDerWaalsContact C-N 3.3Å; I453-E455 PolarHBondContact O-N 2.81Å; I453-E456 WeakPolarHBondContact O-CB 3.47Å; I453-E456 PolarHBondContact O-N 3.37Å; I453-E456 VanDerWaalsContact O-N 3.17Å; I453-M457 HydrophobicContact CG2-CE 3.38Å; I453-M457 HydrophobicContact CG2-SD 4.44Å; I453-M457 WeakPolarHBondContact O-CG 3.44Å; I453-M457 PolarHBondContact O-N 3.44Å |
| 454 | A | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.3 | -29.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y450 M457 G458 M639 R640 | Y450-A454 HydrophobicContact CD1-CB 4.31Å; Y450-A454 HydrophobicContact CE1-CB 3.9Å; Y450-A454 HydrophobicContact CE2-CB 4.3Å; Y450-A454 VanDerWaalsContact O-CB 3.29Å; Y450-A454 WeakPolarHBondContact O-CB 3.42Å; Y450-A454 PolarHBondContact O-N 3.01Å; A454-M457 PolarHBondContact O-N 3.28Å; A454-G458 PolarHBondContact O-N 2.75Å; A454-M639 HydrophobicContact CB-CB 3.62Å; A454-M639 HydrophobicContact CB-CG 4.35Å; A454-M639 HydrophobicContact CB-SD 3.97Å; A454-R640 VanDerWaalsContact O-CG 3.29Å; A454-R640 WeakPolarHBondContact O-CG 3.46Å |
| 455 | E | 98.6 | Very high | 96.7 | Very high | 32 Ų | 32 | 14.3 Ų | 14.3 | 15% | 0.15 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.3 | -47.9 | 167.8 | -176.7 | 179 | 149 | 0 | 0 | 110.7 | A451 Y452 I453 M457 G458 M639 V642 G643 R687 | A451-E455 WeakPolarHBondContact O-CB 3.39Å; A451-E455 PolarHBondContact O-N 2.8Å; Y452-E455 WeakPolarHBondContact O-CB 3.46Å; I453-E455 VanDerWaalsContact C-N 3.3Å; I453-E455 PolarHBondContact O-N 2.81Å; E455-M457 PolarHBondContact O-N 3.21Å; E455-G458 PolarHBondContact O-N 3.27Å; E455-M639 WeakPolarHBondContact CA-O 3.44Å; E455-V642 VanDerWaalsContact CD-CG1 3.43Å; E455-V642 HydrophobicContact CG-CB 4.05Å; E455-V642 HydrophobicContact CG-CG1 3.84Å; E455-V642 WeakPolarHBondContact OE2-CG1 3.21Å; E455-G643 WeakPolarHBondContact O-CA 3.25Å; E455-R687 IonicContact OE1-CZ 3.88Å; E455-R687 VanDerWaalsContact OE1-CZ 3.24Å; E455-R687 IonicContact OE1-NE 3.62Å; E455-R687 PolarHBondContact OE1-NE 3.34Å; E455-R687 IonicContact OE1-NH2 2.95Å; E455-R687 PolarHBondContact OE1-NH2 2.87Å; E455-R687 IonicContact OE2-NE 3.62Å; E455-R687 PolarHBondContact OE2-NE 2.91Å |
| 456 | E | 98.6 | Very high | 97 | Very high | 27 Ų | 27 | 14.1 Ų | 14.1 | 13% | 0.126 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | 177.4 | -168.8 | 62.1 | -141.9 | 0 | 0 | 112 | L384 V387 K388 M391 Y452 I453 G458 R459 | L384-E456 HydrophobicContact CD1-CB 4.32Å; V387-E456 HydrophobicContact CG1-CB 4.29Å; V387-E456 HydrophobicContact CG1-CG 4.12Å; K388-E456 WeakPolarHBondContact CE-OE2 3.46Å; K388-E456 HydrophobicContact CG-CG 3.77Å; M391-E456 HydrophobicContact CG-CG 4.19Å; Y452-E456 PolarHBondContact O-N 3.03Å; I453-E456 WeakPolarHBondContact O-CB 3.47Å; I453-E456 PolarHBondContact O-N 3.37Å; I453-E456 VanDerWaalsContact O-N 3.17Å; E456-G458 PolarHBondContact O-N 3.37Å; E456-R459 WeakPolarHBondContact O-CB 3.13Å; E456-R459 WeakPolarHBondContact O-CG 3.43Å; E456-R459 PolarHBondContact O-N 3.48Å; E456-R459 WeakPolarHBondContact OE1-CD 3.21Å |
| 457 | M | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.5 | -29.2 | 174.3 | -63.3 | 173.1 | -172.6 | 0 | 0 | 112.4 | L437 I453 A454 E455 R459 C460 A463 P464 F467 C469 | L437-M457 HydrophobicContact CD1-CE 3.75Å; I453-M457 HydrophobicContact CG2-CE 3.38Å; I453-M457 HydrophobicContact CG2-SD 4.44Å; I453-M457 WeakPolarHBondContact O-CG 3.44Å; I453-M457 PolarHBondContact O-N 3.44Å; A454-M457 PolarHBondContact O-N 3.28Å; E455-M457 PolarHBondContact O-N 3.21Å; M457-R459 PolarHBondContact O-N 3.12Å; M457-R459 VanDerWaalsContact O-N 3.13Å; M457-C460 PolarHBondContact O-N 3.35Å; M457-A463 HydrophobicContact CB-CB 4.37Å; M457-A463 WeakPolarHBondContact O-CB 3.41Å; M457-P464 HydrophobicContact CB-CG 4.2Å; M457-F467 HydrophobicContact CE-CB 3.72Å; M457-F467 HydrophobicContact CE-CD2 3.49Å; M457-F467 VanDerWaalsContact CE-CD2 3.49Å; M457-F467 HydrophobicContact CE-CE2 4.24Å; M457-F467 HydrophobicContact CE-CG 3.74Å; M457-F467 HydrophobicContact CG-CD2 3.76Å; M457-F467 HydrophobicContact CG-CE2 4Å; M457-F467 HydrophobicContact SD-CB 4.43Å; M457-F467 HydrophobicContact SD-CD2 3.9Å; M457-C469 HydrophobicContact CE-CB 4.37Å; M457-C469 HydrophobicContact SD-CB 3.83Å |
| 458 | G | 98 | Very high | 97.5 | Very high | 13 Ų | 13 | 11.5 Ų | 11.5 | 13% | 0.134 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -12.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A454 E455 E456 C460 R640 C644 | A454-G458 PolarHBondContact O-N 2.75Å; E455-G458 PolarHBondContact O-N 3.27Å; E456-G458 PolarHBondContact O-N 3.37Å; G458-C460 VanDerWaalsContact C-N 3.29Å; G458-C460 PolarHBondContact O-N 3.5Å; G458-R640 WeakPolarHBondContact CA-O 3.35Å; G458-C644 WeakPolarHBondContact O-CA 3.27Å; G458-C644 PolarHBondContact O-N 3.4Å |
| 459 | R | 97.3 | Very high | 97.7 | Very high | 62 Ų | 62 | 11 Ų | 11 | 23% | 0.234 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -15.9 | 179.3 | -59.1 | -173.3 | 66.1 | 142.3 | 6.3 | 113.8 | E456 M457 E650 | E456-R459 WeakPolarHBondContact O-CB 3.13Å; E456-R459 WeakPolarHBondContact O-CG 3.43Å; E456-R459 PolarHBondContact O-N 3.48Å; E456-R459 WeakPolarHBondContact OE1-CD 3.21Å; M457-R459 PolarHBondContact O-N 3.12Å; M457-R459 VanDerWaalsContact O-N 3.13Å; R459-E650 IonicContact CZ-OE2 3.91Å; R459-E650 IonicContact NH2-OE2 2.61Å; R459-E650 PolarHBondContact NH2-OE2 3.09Å |
| 460 | C | 95.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 11.4 Ų | 11.4 | 3% | 0.027 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -139.8 | 132.5 | 177.1 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | M391 V395 L396 M457 G458 F462 A463 | M391-C460 HydrophobicContact CE-CB 3.92Å; V395-C460 HydrophobicContact CG1-CB 4.39Å; L396-C460 HydrophobicContact CD2-CB 4.11Å; M457-C460 PolarHBondContact O-N 3.35Å; G458-C460 VanDerWaalsContact C-N 3.29Å; G458-C460 PolarHBondContact O-N 3.5Å; C460-F462 PolarHBondContact O-N 3.12Å; C460-F462 VanDerWaalsContact SG-CD1 3.56Å; C460-F462 WeakPolarHBondContact SG-CE1 3.34Å; C460-A463 HydrophobicContact CB-CB 3.96Å; C460-A463 WeakPolarHBondContact O-CB 2.94Å; C460-A463 PolarHBondContact O-N 3.03Å; C460-A463 VanDerWaalsContact O-N 3.16Å |
| 461 | L | 91.9 | Very high | 97.7 | Very high | 41 Ų | 41 | 13 Ų | 13 | 22% | 0.215 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -43 | -171.2 | -73.1 | 169.2 | 0 | 0 | 0 | 113.8 | P464 H597 Q744 | L461-P464 WeakPolarHBondContact O-CD 3.42Å; L461-H597 PolarHBondContact O-NE2 2.91Å; L461-H597 VanDerWaalsContact O-NE2 3.1Å; L461-Q744 HydrophobicContact CD1-CG 3.67Å |
| 462 | F | 95.9 | Very high | 97.6 | Very high | 6 Ų | 6 | 13.6 Ų | 13.6 | 3% | 0.026 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -4.2 | -178.6 | 63.4 | -93.4 | 0 | 0 | 0 | 114.4 | V395 A398 Q399 V402 I422 L425 C460 P464 E465 V466 I596 | V395-F462 HydrophobicContact CG1-CD2 4.31Å; V395-F462 HydrophobicContact CG1-CE2 3.66Å; V395-F462 HydrophobicContact CG1-CZ 4.12Å; V395-F462 WeakPolarHBondContact O-CZ 3.47Å; A398-F462 HydrophobicContact CB-CZ 4.31Å; Q399-F462 HydrophobicContact CB-CE1 4.43Å; Q399-F462 HydrophobicContact CG-CE1 3.86Å; Q399-F462 HydrophobicContact CG-CZ 4.04Å; V402-F462 HydrophobicContact CB-CD1 4.45Å; V402-F462 HydrophobicContact CB-CE1 4.06Å; V402-F462 HydrophobicContact CB-CZ 4.48Å; V402-F462 HydrophobicContact CG1-CD1 3.98Å; V402-F462 HydrophobicContact CG1-CE1 4.09Å; V402-F462 HydrophobicContact CG2-CD1 4.45Å; V402-F462 HydrophobicContact CG2-CE1 4Å; V402-F462 HydrophobicContact CG2-CE2 4.35Å; V402-F462 HydrophobicContact CG2-CZ 3.96Å; I422-F462 HydrophobicContact CD1-CB 3.85Å; I422-F462 HydrophobicContact CD1-CD2 3.97Å; I422-F462 HydrophobicContact CD1-CG 3.96Å; I422-F462 HydrophobicContact CG1-CD2 4.06Å; L425-F462 HydrophobicContact CD1-CE2 4.18Å; C460-F462 PolarHBondContact O-N 3.12Å; C460-F462 VanDerWaalsContact SG-CD1 3.56Å; C460-F462 WeakPolarHBondContact SG-CE1 3.34Å; F462-P464 VanDerWaalsContact C-CD 3.49Å; F462-E465 WeakPolarHBondContact O-CB 3.37Å; F462-E465 PolarHBondContact O-N 2.91Å; F462-V466 HydrophobicContact CD2-CG2 4.05Å; F462-V466 HydrophobicContact CE2-CG2 4.46Å; F462-V466 PolarHBondContact O-N 2.78Å; F462-I596 HydrophobicContact CB-CD1 3.77Å; F462-I596 HydrophobicContact CB-CG1 4.16Å; F462-I596 HydrophobicContact CD1-CD1 3.84Å; F462-I596 HydrophobicContact CG-CD1 4.23Å |
| 463 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.8 | -40.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M391 V395 M457 C460 E465 V466 F467 | M391-A463 HydrophobicContact CE-CB 3.77Å; M391-A463 HydrophobicContact SD-CB 3.54Å; M391-A463 VanDerWaalsContact SD-CB 3.54Å; V395-A463 HydrophobicContact CG1-CB 3.94Å; M457-A463 HydrophobicContact CB-CB 4.37Å; M457-A463 WeakPolarHBondContact O-CB 3.41Å; C460-A463 HydrophobicContact CB-CB 3.96Å; C460-A463 WeakPolarHBondContact O-CB 2.94Å; C460-A463 PolarHBondContact O-N 3.03Å; C460-A463 VanDerWaalsContact O-N 3.16Å; A463-E465 PolarHBondContact O-N 3.29Å; A463-V466 WeakPolarHBondContact O-CB 3.45Å; A463-V466 PolarHBondContact O-N 3.08Å; A463-V466 VanDerWaalsContact O-N 3.12Å; A463-F467 WeakPolarHBondContact O-CD2 3.36Å; A463-F467 PolarHBondContact O-N 3.3Å |
| 464 | P | 98.4 | Very high | 97.6 | Very high | 10 Ų | 10 | 12.8 Ų | 12.8 | 7% | 0.065 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -56.3 | -35.1 | 174.6 | -26.1 | 35.9 | 0 | 0 | 0 | 113.1 | M457 L461 F462 F467 N468 C469 Q470 | M457-P464 HydrophobicContact CB-CG 4.2Å; L461-P464 WeakPolarHBondContact O-CD 3.42Å; F462-P464 VanDerWaalsContact C-CD 3.49Å; P464-F467 PolarHBondContact O-N 3.33Å; P464-N468 PolarHBondContact O-N 2.94Å; P464-C469 CarbonylContact O-C 3.32Å; P464-C469 WeakPolarHBondContact O-CA 3.22Å; P464-C469 PolarHBondContact O-N 3.3Å; P464-Q470 HydrophobicContact CB-CB 3.98Å; P464-Q470 PolarHBondContact O-N 3.38Å; P464-Q470 PolarHBondContact O-OE1 2.92Å |
| 465 | E | 97.8 | Very high | 97.4 | Very high | 5 Ų | 5 | 13 Ų | 13 | 2% | 0.023 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -70.2 | -32.7 | 179 | 176.6 | 162.7 | 172 | 0 | 0 | 113 | I422 K426 F462 A463 F467 N468 Q470 R502 | I422-E465 HydrophobicContact CG2-CG 4.26Å; K426-E465 WeakPolarHBondContact CE-O 3.3Å; K426-E465 WeakPolarHBondContact CE-OE1 3.33Å; K426-E465 IonicContact NZ-OE1 2.81Å; K426-E465 PolarHBondContact NZ-OE1 2.87Å; F462-E465 WeakPolarHBondContact O-CB 3.37Å; F462-E465 PolarHBondContact O-N 2.91Å; A463-E465 PolarHBondContact O-N 3.29Å; E465-F467 PolarHBondContact O-N 2.99Å; E465-N468 PolarHBondContact O-N 3.43Å; E465-Q470 HydrophobicContact CB-CB 4.3Å; E465-Q470 HydrophobicContact CB-CG 4.25Å; E465-R502 IonicContact OE1-NH1 3.56Å; E465-R502 IonicContact OE2-CZ 2.86Å; E465-R502 IonicContact OE2-NH1 2.7Å; E465-R502 PolarHBondContact OE2-NH1 3.43Å |
| 466 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.6 | -31.6 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | F390 V395 L425 A429 W435 F462 A463 | F390-V466 HydrophobicContact CE1-CG1 3.76Å; F390-V466 HydrophobicContact CZ-CG1 4.35Å; V395-V466 HydrophobicContact CG2-CG1 4.28Å; L425-V466 HydrophobicContact CB-CB 4.5Å; L425-V466 HydrophobicContact CB-CG1 3.8Å; L425-V466 HydrophobicContact CB-CG2 3.9Å; L425-V466 HydrophobicContact CD1-CG2 4.12Å; A429-V466 HydrophobicContact CB-CG1 4.12Å; A429-V466 WeakPolarHBondContact CB-O 3.4Å; W435-V466 WeakPolarHBondContact CZ3-O 2.81Å; F462-V466 HydrophobicContact CD2-CG2 4.05Å; F462-V466 HydrophobicContact CE2-CG2 4.46Å; F462-V466 PolarHBondContact O-N 2.78Å; A463-V466 WeakPolarHBondContact O-CB 3.45Å; A463-V466 PolarHBondContact O-N 3.08Å; A463-V466 VanDerWaalsContact O-N 3.12Å |
| 467 | F | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 11.6 | -178.8 | -53.2 | -67.2 | 0 | 0 | 0 | 113.6 | V387 F390 M391 A429 L434 N436 M457 A463 P464 E465 C469 | V387-F467 HydrophobicContact CG1-CE2 4.18Å; V387-F467 HydrophobicContact CG1-CZ 4.12Å; F390-F467 HydrophobicContact CB-CZ 4.46Å; F390-F467 AromaticContact CD1-CE1 3.64Å; F390-F467 HydrophobicContact CD1-CE1 3.64Å; F390-F467 AromaticContact CD1-CZ 3.62Å; F390-F467 HydrophobicContact CD1-CZ 3.62Å; F390-F467 HydrophobicContact CE1-CE1 4.03Å; F390-F467 HydrophobicContact CE1-CZ 4.23Å; F390-F467 HydrophobicContact CG-CE1 4.08Å; F390-F467 HydrophobicContact CG-CZ 4.26Å; M391-F467 HydrophobicContact CG-CE2 4.4Å; M391-F467 HydrophobicContact CG-CZ 4.4Å; M391-F467 HydrophobicContact SD-CE2 3.93Å; M391-F467 HydrophobicContact SD-CZ 4.32Å; A429-F467 HydrophobicContact CB-CD1 3.95Å; A429-F467 HydrophobicContact CB-CE1 4.27Å; L434-F467 HydrophobicContact CB-CD1 3.8Å; L434-F467 HydrophobicContact CB-CE1 3.96Å; L434-F467 HydrophobicContact CD1-CE1 4.03Å; L434-F467 VanDerWaalsContact O-CD1 3.3Å; L434-F467 WeakPolarHBondContact O-CD1 3.34Å; N436-F467 PolarHBondContact N-O 2.76Å; N436-F467 VanDerWaalsContact N-O 3.13Å; M457-F467 HydrophobicContact CE-CB 3.72Å; M457-F467 HydrophobicContact CE-CD2 3.49Å; M457-F467 VanDerWaalsContact CE-CD2 3.49Å; M457-F467 HydrophobicContact CE-CE2 4.24Å; M457-F467 HydrophobicContact CE-CG 3.74Å; M457-F467 HydrophobicContact CG-CD2 3.76Å; M457-F467 HydrophobicContact CG-CE2 4Å; M457-F467 HydrophobicContact SD-CB 4.43Å; M457-F467 HydrophobicContact SD-CD2 3.9Å; A463-F467 WeakPolarHBondContact O-CD2 3.36Å; A463-F467 PolarHBondContact O-N 3.3Å; P464-F467 PolarHBondContact O-N 3.33Å; E465-F467 PolarHBondContact O-N 2.99Å; F467-C469 VanDerWaalsContact C-N 3.29Å; F467-C469 HydrophobicContact CB-CB 4.44Å; F467-C469 PolarHBondContact O-N 3.45Å; F467-C469 PolarHBondContact O-SG 3.02Å |
| 468 | N | 98.7 | Very high | 97.3 | Very high | 6 Ų | 6 | 10.8 Ų | 10.8 | 3% | 0.032 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 43 | -172.9 | -153.4 | 33.8 | 0 | 0 | 0 | 114.3 | W435 N436 F438 P464 E465 Q470 L496 | W435-N468 HydrophobicContact CD2-CB 3.8Å; W435-N468 VanDerWaalsContact CE2-CB 3.46Å; W435-N468 HydrophobicContact CE3-CB 4.04Å; W435-N468 HydrophobicContact CH2-CB 3.72Å; W435-N468 HydrophobicContact CZ2-CB 3.43Å; W435-N468 VanDerWaalsContact CZ2-CB 3.43Å; W435-N468 HydrophobicContact CZ3-CB 4.01Å; N436-N468 WeakPolarHBondContact OD1-CB 3.45Å; N436-N468 PolarHBondContact OD1-ND2 3.5Å; F438-N468 WeakPolarHBondContact CE1-O 3.34Å; P464-N468 PolarHBondContact O-N 2.94Å; E465-N468 PolarHBondContact O-N 3.43Å; N468-Q470 VanDerWaalsContact C-OE1 3.28Å; N468-Q470 VanDerWaalsContact CA-OE1 3.28Å; N468-Q470 PolarHBondContact OD1-NE2 2.66Å; N468-L496 PolarHBondContact ND2-O 3.48Å |
| 469 | C | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | -119.8 | 14.4 | -174 | -77.2 | 0 | 0 | 0 | 0 | 112.9 | Y450 M457 P464 F467 T474 R640 | Y450-C469 WeakPolarHBondContact OH-CB 3.13Å; M457-C469 HydrophobicContact CE-CB 4.37Å; M457-C469 HydrophobicContact SD-CB 3.83Å; P464-C469 CarbonylContact O-C 3.32Å; P464-C469 WeakPolarHBondContact O-CA 3.22Å; P464-C469 PolarHBondContact O-N 3.3Å; F467-C469 VanDerWaalsContact C-N 3.29Å; F467-C469 HydrophobicContact CB-CB 4.44Å; F467-C469 PolarHBondContact O-N 3.45Å; F467-C469 PolarHBondContact O-SG 3.02Å; C469-T474 WeakPolarHBondContact O-CG2 3.5Å; C469-R640 PolarHBondContact O-NH1 3.41Å | ||
| 470 | Q | 97.6 | Very high | 97.2 | Very high | 9 Ų | 9 | 7.2 Ų | 7.2 | 4% | 0.042 | 5% | 0.045 | C | C | . | . | trans | -85.3 | 143.7 | -176.9 | 75.1 | -67.3 | -13.7 | 0 | 0 | 113.7 | P464 E465 N468 D473 T474 | P464-Q470 HydrophobicContact CB-CB 3.98Å; P464-Q470 PolarHBondContact O-N 3.38Å; P464-Q470 PolarHBondContact O-OE1 2.92Å; E465-Q470 HydrophobicContact CB-CB 4.3Å; E465-Q470 HydrophobicContact CB-CG 4.25Å; N468-Q470 VanDerWaalsContact C-OE1 3.28Å; N468-Q470 VanDerWaalsContact CA-OE1 3.28Å; N468-Q470 PolarHBondContact OD1-NE2 2.66Å; Q470-D473 PolarHBondContact NE2-OD2 2.87Å; Q470-D473 PolarHBondContact O-N 2.99Å; Q470-T474 PolarHBondContact O-N 3.46Å; Q470-T474 VanDerWaalsContact O-N 3.12Å | ||
| 471 | A | 96.8 | Very high | 97.3 | Very high | 34 Ų | 34 | 10.5 Ų | 10.5 | 28% | 0.281 | 6% | 0.06 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 151 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 472 | P | 97.1 | Very high | 97.4 | Very high | 15 Ų | 15 | 12.6 Ų | 12.6 | 10% | 0.097 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -85.5 | 0.5 | 0.2 | 36.7 | -37.3 | 0 | 0 | 0 | 114.3 | T474 G475 N476 S503 S541 | P472-T474 PolarHBondContact O-N 3.48Å; P472-G475 PolarHBondContact O-N 3.12Å; P472-N476 PolarHBondContact O-N 3.3Å; P472-N476 VanDerWaalsContact O-N 3.14Å; P472-S503 WeakPolarHBondContact CG-O 3.45Å; P472-S541 WeakPolarHBondContact CG-O 3.24Å |
| 473 | D | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.011 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | -171 | -63.4 | -55.1 | 0 | 0 | 0 | 112.8 | Q470 G475 N476 M477 R502 S503 | Q470-D473 PolarHBondContact NE2-OD2 2.87Å; Q470-D473 PolarHBondContact O-N 2.99Å; D473-G475 PolarHBondContact O-N 3.33Å; D473-N476 PolarHBondContact O-N 3.05Å; D473-N476 VanDerWaalsContact O-N 3.09Å; D473-M477 HydrophobicContact CB-CE 4.17Å; D473-M477 WeakPolarHBondContact O-CB 3.38Å; D473-M477 WeakPolarHBondContact O-CG 3.4Å; D473-M477 PolarHBondContact O-N 3.21Å; D473-R502 IonicContact OD2-CZ 2.68Å; D473-R502 VanDerWaalsContact OD2-CZ 3.25Å; D473-R502 IonicContact OD2-NE 3.54Å; D473-R502 PolarHBondContact OD2-NE 3Å; D473-R502 IonicContact OD2-NH2 2.69Å; D473-R502 PolarHBondContact OD2-NH2 3.28Å; D473-S503 WeakPolarHBondContact OD1-CA 3.47Å; D473-S503 PolarHBondContact OD1-N 2.86Å; D473-S503 PolarHBondContact OD1-OG 3.29Å |
| 474 | T | 97.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 2% | 0.018 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56.6 | -47.9 | 177.4 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | F438 C469 Q470 P472 N476 M477 E478 | F438-T474 HydrophobicContact CB-CG2 4.28Å; F438-T474 HydrophobicContact CD1-CG2 3.52Å; F438-T474 HydrophobicContact CD2-CG2 3.76Å; F438-T474 HydrophobicContact CE1-CG2 3.7Å; F438-T474 HydrophobicContact CE2-CG2 3.92Å; F438-T474 WeakPolarHBondContact CE2-O 3.48Å; F438-T474 HydrophobicContact CG-CG2 3.56Å; F438-T474 HydrophobicContact CZ-CG2 3.9Å; C469-T474 WeakPolarHBondContact O-CG2 3.5Å; Q470-T474 PolarHBondContact O-N 3.46Å; Q470-T474 VanDerWaalsContact O-N 3.12Å; P472-T474 PolarHBondContact O-N 3.48Å; T474-N476 VanDerWaalsContact C-N 3.3Å; T474-N476 PolarHBondContact O-N 3.33Å; T474-M477 HydrophobicContact CG2-CE 4.46Å; T474-M477 PolarHBondContact O-N 3.01Å; T474-E478 WeakPolarHBondContact O-CG 3.39Å; T474-E478 PolarHBondContact O-N 3.48Å |
| 475 | G | 95.4 | Very high | 97.4 | Very high | 5 Ų | 5 | 16.8 Ų | 16.8 | 5% | 0.052 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.6 | -32.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P472 D473 V479 | P472-G475 PolarHBondContact O-N 3.12Å; D473-G475 PolarHBondContact O-N 3.33Å; G475-V479 WeakPolarHBondContact O-CG2 3.43Å; G475-V479 PolarHBondContact O-N 3.23Å; G475-V479 VanDerWaalsContact O-N 3.16Å |
| 476 | N | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -73.1 | -39.1 | 176 | -72.1 | -6.3 | 0 | 0 | 0 | 111.9 | P472 D473 T474 V479 L480 S503 C504 I552 R629 | P472-N476 PolarHBondContact O-N 3.3Å; P472-N476 VanDerWaalsContact O-N 3.14Å; D473-N476 PolarHBondContact O-N 3.05Å; D473-N476 VanDerWaalsContact O-N 3.09Å; T474-N476 VanDerWaalsContact C-N 3.3Å; T474-N476 PolarHBondContact O-N 3.33Å; N476-V479 PolarHBondContact O-N 3.41Å; N476-L480 PolarHBondContact O-N 2.92Å; N476-L480 VanDerWaalsContact O-N 3.11Å; N476-S503 WeakPolarHBondContact CB-OG 3.42Å; N476-S503 WeakPolarHBondContact ND2-CB 3.35Å; N476-S503 PolarHBondContact ND2-OG 3.37Å; N476-C504 PolarHBondContact ND2-O 3.19Å; N476-I552 HydrophobicContact CB-CD1 3.86Å; N476-R629 VanDerWaalsContact OD1-CZ 3.32Å; N476-R629 PolarHBondContact OD1-NE 3.42Å; N476-R629 VanDerWaalsContact OD1-NE 3.08Å; N476-R629 PolarHBondContact OD1-NH2 2.94Å |
| 477 | M | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 171.5 | -73.7 | -169.9 | -89.9 | 0 | 0 | 111.3 | F438 D473 T474 V479 L480 H481 L493 L496 L497 | F438-M477 HydrophobicContact CE1-CE 3.58Å; F438-M477 HydrophobicContact CE1-SD 4.25Å; F438-M477 HydrophobicContact CE2-CB 4.4Å; F438-M477 HydrophobicContact CZ-CB 3.91Å; F438-M477 HydrophobicContact CZ-CE 3.51Å; F438-M477 HydrophobicContact CZ-CG 4.47Å; F438-M477 HydrophobicContact CZ-SD 3.88Å; D473-M477 HydrophobicContact CB-CE 4.17Å; D473-M477 WeakPolarHBondContact O-CB 3.38Å; D473-M477 WeakPolarHBondContact O-CG 3.4Å; D473-M477 PolarHBondContact O-N 3.21Å; T474-M477 HydrophobicContact CG2-CE 4.46Å; T474-M477 PolarHBondContact O-N 3.01Å; M477-V479 VanDerWaalsContact C-N 3.35Å; M477-V479 PolarHBondContact O-N 3.27Å; M477-L480 PolarHBondContact O-N 3.48Å; M477-H481 VanDerWaalsContact O-CB 3.24Å; M477-H481 WeakPolarHBondContact O-CB 3.38Å; M477-H481 PolarHBondContact O-N 2.87Å; M477-L493 HydrophobicContact CB-CD1 3.85Å; M477-L493 HydrophobicContact CG-CD1 4.01Å; M477-L493 WeakPolarHBondContact O-CD1 3.41Å; M477-L496 HydrophobicContact CG-CB 3.62Å; M477-L496 HydrophobicContact CG-CD1 4.11Å; M477-L496 HydrophobicContact CG-CG 4.4Å; M477-L496 HydrophobicContact SD-CB 3.87Å; M477-L497 HydrophobicContact SD-CD2 3.68Å; M477-L497 HydrophobicContact SD-CG 4.05Å |
| 478 | E | 95.6 | Very high | 97.4 | Very high | 10 Ų | 10 | 29.8 Ų | 29.8 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.3 | -41.6 | 175.6 | -77 | 175.4 | 178.4 | 0 | 0 | 112.5 | F438 L439 T474 H481 M482 H636 | F438-E478 HydrophobicContact CD2-CG 4.49Å; F438-E478 HydrophobicContact CE2-CG 4.05Å; L439-E478 HydrophobicContact CD1-CG 4.13Å; T474-E478 WeakPolarHBondContact O-CG 3.39Å; T474-E478 PolarHBondContact O-N 3.48Å; E478-H481 PolarHBondContact O-N 3.15Å; E478-M482 HydrophobicContact CB-CE 4.12Å; E478-M482 WeakPolarHBondContact O-CB 3.42Å; E478-M482 VanDerWaalsContact O-CE 3.3Å; E478-M482 WeakPolarHBondContact O-CE 3.29Å; E478-M482 WeakPolarHBondContact O-CG 3.49Å; E478-M482 PolarHBondContact O-N 3.08Å; E478-H636 IonicContact OE1-CE1 3.06Å; E478-H636 PolarHBondContact OE1-CE1 2.64Å |
| 479 | V | 96.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.2 | -49.7 | 175.3 | 165.9 | 0 | 0 | 0 | 0 | 111.2 | G475 N476 M477 H481 M482 F483 I552 I616 I625 R629 | G475-V479 WeakPolarHBondContact O-CG2 3.43Å; G475-V479 PolarHBondContact O-N 3.23Å; G475-V479 VanDerWaalsContact O-N 3.16Å; N476-V479 PolarHBondContact O-N 3.41Å; M477-V479 VanDerWaalsContact C-N 3.35Å; M477-V479 PolarHBondContact O-N 3.27Å; V479-H481 VanDerWaalsContact C-N 3.34Å; V479-M482 PolarHBondContact O-N 2.8Å; V479-F483 HydrophobicContact CG1-CD2 4.39Å; V479-F483 WeakPolarHBondContact O-CB 3.36Å; V479-F483 WeakPolarHBondContact O-CD2 3.32Å; V479-F483 PolarHBondContact O-N 3.22Å; V479-I552 HydrophobicContact CB-CD1 4.21Å; V479-I552 HydrophobicContact CG1-CD1 4.05Å; V479-I616 HydrophobicContact CG1-CD1 3.97Å; V479-I616 HydrophobicContact CG1-CG2 3.96Å; V479-I625 HydrophobicContact CB-CG2 4.34Å; V479-I625 HydrophobicContact CG1-CG2 3.67Å; V479-I625 HydrophobicContact CG2-CG2 3.72Å; V479-R629 HydrophobicContact CG2-CB 3.65Å; V479-R629 HydrophobicContact CG2-CG 3.8Å |
| 480 | L | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.9 | -37.2 | -179.3 | -70.9 | 169.5 | 0 | 0 | 0 | 111.9 | N476 M477 G484 Q488 W492 L493 L496 L573 | N476-L480 PolarHBondContact O-N 2.92Å; N476-L480 VanDerWaalsContact O-N 3.11Å; M477-L480 PolarHBondContact O-N 3.48Å; L480-G484 VanDerWaalsContact O-CA 3.27Å; L480-G484 WeakPolarHBondContact O-CA 3.47Å; L480-G484 PolarHBondContact O-N 3.03Å; L480-Q488 HydrophobicContact CD2-CB 4.42Å; L480-W492 HydrophobicContact CD1-CB 3.8Å; L480-L493 HydrophobicContact CB-CB 4.03Å; L480-L493 HydrophobicContact CB-CD1 4.17Å; L480-L493 HydrophobicContact CB-CD2 4.48Å; L480-L493 HydrophobicContact CB-CG 4.46Å; L480-L493 HydrophobicContact CD1-CB 4.3Å; L480-L496 HydrophobicContact CD1-CD1 3.86Å; L480-L573 HydrophobicContact CD2-CD1 3.94Å; L480-L573 HydrophobicContact CD2-CD2 4.07Å |
| 481 | H | 96.8 | Very high | 97.4 | Very high | 72 Ų | 72 | 44.1 Ų | 44.1 | 33% | 0.333 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 176 | 178.6 | 74.5 | 0 | 0 | 0 | 111.6 | M477 E478 V479 L493 | M477-H481 VanDerWaalsContact O-CB 3.24Å; M477-H481 WeakPolarHBondContact O-CB 3.38Å; M477-H481 PolarHBondContact O-N 2.87Å; E478-H481 PolarHBondContact O-N 3.15Å; V479-H481 VanDerWaalsContact C-N 3.34Å; H481-L493 HydrophobicContact CB-CD2 4.12Å |
| 482 | M | 93.6 | Very high | 97.5 | Very high | 85 Ų | 85 | 43.5 Ų | 43.5 | 42% | 0.419 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -79.7 | -36.1 | -177.6 | -71.8 | -174.2 | -77.5 | 0 | 0 | 114.1 | E478 V479 R628 | E478-M482 HydrophobicContact CB-CE 4.12Å; E478-M482 WeakPolarHBondContact O-CB 3.42Å; E478-M482 VanDerWaalsContact O-CE 3.3Å; E478-M482 WeakPolarHBondContact O-CE 3.29Å; E478-M482 WeakPolarHBondContact O-CG 3.49Å; E478-M482 PolarHBondContact O-N 3.08Å; V479-M482 PolarHBondContact O-N 2.8Å; M482-R628 HydrophobicContact CE-CB 4.25Å |
| 483 | F | 97.1 | Very high | 97.6 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 15% | 0.154 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -129.1 | -8 | -164.7 | -52.6 | -59.6 | 0 | 0 | 0 | 114.8 | V479 I616 L617 I625 R628 | V479-F483 HydrophobicContact CG1-CD2 4.39Å; V479-F483 WeakPolarHBondContact O-CB 3.36Å; V479-F483 WeakPolarHBondContact O-CD2 3.32Å; V479-F483 PolarHBondContact O-N 3.22Å; F483-I616 HydrophobicContact CB-CG2 3.77Å; F483-L617 HydrophobicContact CB-CB 4.26Å; F483-L617 HydrophobicContact CD1-CD1 4.32Å; F483-L617 HydrophobicContact CD1-CD2 3.95Å; F483-L617 HydrophobicContact CE1-CD2 4.37Å; F483-L617 HydrophobicContact CG-CD2 4.49Å; F483-I625 HydrophobicContact CD2-CB 4.48Å; F483-I625 HydrophobicContact CD2-CG1 4.17Å; F483-I625 HydrophobicContact CD2-CG2 3.93Å; F483-I625 HydrophobicContact CE2-CG1 4.47Å; F483-I625 HydrophobicContact CE2-CG2 4.19Å; F483-I625 HydrophobicContact CG-CG1 4.47Å; F483-R628 HydrophobicContact CE2-CB 3.91Å; F483-R628 HydrophobicContact CE2-CG 4.42Å; F483-R628 HydrophobicContact CZ-CB 3.87Å; F483-R628 HydrophobicContact CZ-CG 3.89Å |
| 484 | G | 97.7 | Very high | 97.6 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | trans | -69.4 | 144.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L480 Q488 K489 | L480-G484 VanDerWaalsContact O-CA 3.27Å; L480-G484 WeakPolarHBondContact O-CA 3.47Å; L480-G484 PolarHBondContact O-N 3.03Å; G484-Q488 VanDerWaalsContact CA-OE1 3.28Å; G484-K489 VanDerWaalsContact O-CE 3.22Å; G484-K489 WeakPolarHBondContact O-CE 3.32Å | ||
| 485 | T | 98.4 | Very high | 97.6 | Very high | 60 Ų | 60 | 49.7 Ų | 49.7 | 37% | 0.368 | 24% | 0.237 | S | C | . | . | trans | -68.7 | 165.2 | 164.4 | 78.3 | 0 | 0 | 0 | 0 | 110.2 | E487 Q488 K489 | T485-E487 WeakPolarHBondContact CB-OE2 3.49Å; T485-E487 PolarHBondContact O-N 3.34Å; T485-E487 PolarHBondContact OG1-N 3.26Å; T485-E487 PolarHBondContact OG1-OE2 2.85Å; T485-Q488 PolarHBondContact O-N 2.94Å; T485-Q488 VanDerWaalsContact O-N 3.08Å; T485-Q488 WeakPolarHBondContact OG1-CG 3.48Å; T485-Q488 PolarHBondContact OG1-N 2.88Å; T485-K489 WeakPolarHBondContact O-CG 3.26Å; T485-K489 PolarHBondContact O-N 2.97Å | ||
| 486 | E | 98.1 | Very high | 97.8 | Very high | 128 Ų | 128 | 49.5 Ų | 49.5 | 60% | 0.598 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -59.8 | -36.9 | 178.4 | -63.4 | -55 | 115 | 0 | 0 | 112 | K489 K490 | E486-K489 PolarHBondContact O-N 3.45Å; E486-K489 IonicContact OE1-NZ 3.24Å; E486-K489 PolarHBondContact OE1-NZ 3.42Å; E486-K490 WeakPolarHBondContact O-CB 3.41Å; E486-K490 PolarHBondContact O-N 2.95Å |
| 487 | E | 98 | Very high | 97.8 | Very high | 141 Ų | 141 | 51.2 Ų | 51.2 | 66% | 0.659 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -66.6 | -39.8 | 174.8 | -55.8 | 76.3 | -166.1 | 0 | 0 | 111.9 | T485 K491 | T485-E487 WeakPolarHBondContact CB-OE2 3.49Å; T485-E487 PolarHBondContact O-N 3.34Å; T485-E487 PolarHBondContact OG1-N 3.26Å; T485-E487 PolarHBondContact OG1-OE2 2.85Å; E487-K491 WeakPolarHBondContact O-CB 3.5Å; E487-K491 PolarHBondContact O-N 3.41Å |
| 488 | Q | 98.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.6 | -41 | 176.5 | -68.2 | 173.4 | -10.9 | 0 | 0 | 111.4 | L480 G484 T485 K491 W492 L573 S613 M615 | L480-Q488 HydrophobicContact CD2-CB 4.42Å; G484-Q488 VanDerWaalsContact CA-OE1 3.28Å; T485-Q488 PolarHBondContact O-N 2.94Å; T485-Q488 VanDerWaalsContact O-N 3.08Å; T485-Q488 WeakPolarHBondContact OG1-CG 3.48Å; T485-Q488 PolarHBondContact OG1-N 2.88Å; Q488-K491 PolarHBondContact O-N 3.42Å; Q488-W492 WeakPolarHBondContact O-CB 3.04Å; Q488-W492 PolarHBondContact O-N 3.18Å; Q488-L573 HydrophobicContact CB-CD1 4.11Å; Q488-L573 HydrophobicContact CG-CD1 3.83Å; Q488-S613 PolarHBondContact NE2-O 2.95Å; Q488-M615 PolarHBondContact NE2-O 3.33Å |
| 489 | K | 98.6 | Very high | 97.9 | Very high | 51 Ų | 51 | 53.3 Ų | 53.3 | 22% | 0.222 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -62.5 | -50.1 | 176 | -71.2 | 175 | -172.3 | 162.6 | 0 | 110.7 | G484 T485 E486 K491 W492 L493 E494 | G484-K489 VanDerWaalsContact O-CE 3.22Å; G484-K489 WeakPolarHBondContact O-CE 3.32Å; T485-K489 WeakPolarHBondContact O-CG 3.26Å; T485-K489 PolarHBondContact O-N 2.97Å; E486-K489 PolarHBondContact O-N 3.45Å; E486-K489 IonicContact OE1-NZ 3.24Å; E486-K489 PolarHBondContact OE1-NZ 3.42Å; K489-K491 VanDerWaalsContact C-N 3.33Å; K489-K491 PolarHBondContact O-N 3.08Å; K489-W492 PolarHBondContact O-N 3.37Å; K489-L493 HydrophobicContact CB-CB 4.16Å; K489-L493 HydrophobicContact CB-CD2 4.24Å; K489-L493 HydrophobicContact CD-CD2 4.45Å; K489-L493 HydrophobicContact CG-CB 4.45Å; K489-L493 HydrophobicContact CG-CD2 3.94Å; K489-L493 WeakPolarHBondContact O-CA 3.4Å; K489-L493 VanDerWaalsContact O-CB 3.26Å; K489-L493 WeakPolarHBondContact O-CB 3.38Å; K489-L493 PolarHBondContact O-N 3.43Å; K489-E494 PolarHBondContact O-N 3.27Å |
| 490 | K | 98.4 | Very high | 97.9 | Very high | 144 Ų | 144 | 59.8 Ų | 59.8 | 63% | 0.626 | 29% | 0.294 | S | S | * | . | I | π-helix | trans | -59.5 | -43.4 | 177.7 | -172.7 | 174.8 | -175.9 | 175.3 | 0 | 112.5 | E486 | E486-K490 WeakPolarHBondContact O-CB 3.41Å; E486-K490 PolarHBondContact O-N 2.95Å |
| 491 | K | 98.5 | Very high | 98 | Very high | 121 Ų | 121 | 61 Ų | 61 | 53% | 0.526 | 30% | 0.3 | S | S | . | . | I | π-helix | trans | -74.4 | -33.7 | -176.7 | -170.2 | 172.8 | -179.1 | 178.3 | 0 | 113.5 | E487 Q488 K489 | E487-K491 WeakPolarHBondContact O-CB 3.5Å; E487-K491 PolarHBondContact O-N 3.41Å; Q488-K491 PolarHBondContact O-N 3.42Å; K489-K491 VanDerWaalsContact C-N 3.33Å; K489-K491 PolarHBondContact O-N 3.08Å |
| 492 | W | 98.7 | Very high | 98 | Very high | 22 Ų | 22 | 58.1 Ų | 58.1 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -126.5 | -42 | -168.7 | -53.6 | 114.2 | 0 | 0 | 0 | 114.4 | L480 Q488 K489 L496 I501 V550 P575 | L480-W492 HydrophobicContact CD1-CB 3.8Å; Q488-W492 WeakPolarHBondContact O-CB 3.04Å; Q488-W492 PolarHBondContact O-N 3.18Å; K489-W492 PolarHBondContact O-N 3.37Å; W492-L496 WeakPolarHBondContact O-CB 3.31Å; W492-L496 VanDerWaalsContact O-CD1 3.31Å; W492-L496 WeakPolarHBondContact O-CD1 3.37Å; W492-L496 WeakPolarHBondContact O-CG 3.32Å; W492-L496 PolarHBondContact O-N 2.98Å; W492-I501 HydrophobicContact CE3-CD1 4.02Å; W492-V550 HydrophobicContact CD2-CB 4.16Å; W492-V550 HydrophobicContact CD2-CG1 4.39Å; W492-V550 HydrophobicContact CD2-CG2 3.94Å; W492-V550 HydrophobicContact CE3-CB 3.66Å; W492-V550 HydrophobicContact CE3-CG1 3.89Å; W492-V550 HydrophobicContact CE3-CG2 3.96Å; W492-V550 HydrophobicContact CG-CG2 4.49Å; W492-V550 HydrophobicContact CH2-CB 4.3Å; W492-V550 HydrophobicContact CH2-CG2 4.34Å; W492-V550 HydrophobicContact CZ2-CG2 4.33Å; W492-V550 HydrophobicContact CZ3-CB 3.75Å; W492-V550 HydrophobicContact CZ3-CG1 4.4Å; W492-V550 HydrophobicContact CZ3-CG2 4.17Å; W492-P575 HydrophobicContact CH2-CB 4.08Å; W492-P575 HydrophobicContact CH2-CG 3.87Å; W492-P575 HydrophobicContact CZ2-CG 3.85Å |
| 493 | L | 98.8 | Very high | 98.3 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -69.5 | -44.1 | -178.9 | -179.4 | 60.8 | 0 | 0 | 0 | 111.4 | M477 L480 H481 K489 L496 L497 | M477-L493 HydrophobicContact CB-CD1 3.85Å; M477-L493 HydrophobicContact CG-CD1 4.01Å; M477-L493 WeakPolarHBondContact O-CD1 3.41Å; L480-L493 HydrophobicContact CB-CB 4.03Å; L480-L493 HydrophobicContact CB-CD1 4.17Å; L480-L493 HydrophobicContact CB-CD2 4.48Å; L480-L493 HydrophobicContact CB-CG 4.46Å; L480-L493 HydrophobicContact CD1-CB 4.3Å; H481-L493 HydrophobicContact CB-CD2 4.12Å; K489-L493 HydrophobicContact CB-CB 4.16Å; K489-L493 HydrophobicContact CB-CD2 4.24Å; K489-L493 HydrophobicContact CD-CD2 4.45Å; K489-L493 HydrophobicContact CG-CB 4.45Å; K489-L493 HydrophobicContact CG-CD2 3.94Å; K489-L493 WeakPolarHBondContact O-CA 3.4Å; K489-L493 VanDerWaalsContact O-CB 3.26Å; K489-L493 WeakPolarHBondContact O-CB 3.38Å; K489-L493 PolarHBondContact O-N 3.43Å; L493-L496 PolarHBondContact O-N 3.41Å; L493-L497 HydrophobicContact CD1-CD1 3.98Å; L493-L497 HydrophobicContact CD1-CG 3.97Å; L493-L497 HydrophobicContact CD2-CD1 4.38Å; L493-L497 HydrophobicContact CG-CD1 3.76Å; L493-L497 HydrophobicContact CG-CG 4.22Å; L493-L497 WeakPolarHBondContact O-CB 3.49Å; L493-L497 WeakPolarHBondContact O-CG 3.3Å; L493-L497 PolarHBondContact O-N 2.91Å |
| 494 | E | 98.6 | Very high | 98.3 | Very high | 113 Ų | 113 | 52.4 Ų | 52.4 | 53% | 0.528 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.3 | -51.3 | 179.2 | -75.2 | 171.8 | -157.1 | 0 | 0 | 112.2 | K489 L496 L497 S498 | K489-E494 PolarHBondContact O-N 3.27Å; E494-L496 VanDerWaalsContact C-N 3.3Å; E494-L496 PolarHBondContact O-N 3.21Å; E494-L497 PolarHBondContact O-N 3.37Å; E494-S498 PolarHBondContact O-N 3.24Å |
| 495 | P | 98.7 | Very high | 98.4 | Very high | 25 Ų | 25 | 53.1 Ų | 53.1 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -29.4 | 175.8 | -26.4 | 37.1 | 0 | 0 | 0 | 114.7 | S498 G499 E500 I501 | P495-S498 WeakPolarHBondContact CA-OG 3.45Å; P495-S498 PolarHBondContact O-OG 3.3Å; P495-S498 VanDerWaalsContact O-OG 3.14Å; P495-G499 PolarHBondContact O-N 2.97Å; P495-E500 HydrophobicContact CB-CB 4.48Å; P495-E500 PolarHBondContact O-N 2.98Å; P495-I501 HydrophobicContact CB-CD1 3.79Å; P495-I501 HydrophobicContact CB-CG1 3.76Å; P495-I501 HydrophobicContact CB-CG2 4.28Å; P495-I501 PolarHBondContact O-N 3.39Å |
| 496 | L | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.4 | -41.5 | 173.2 | -75.3 | 167.2 | 0 | 0 | 0 | 111.2 | N468 M477 L480 W492 L493 E494 S498 G499 I501 | N468-L496 PolarHBondContact ND2-O 3.48Å; M477-L496 HydrophobicContact CG-CB 3.62Å; M477-L496 HydrophobicContact CG-CD1 4.11Å; M477-L496 HydrophobicContact CG-CG 4.4Å; M477-L496 HydrophobicContact SD-CB 3.87Å; L480-L496 HydrophobicContact CD1-CD1 3.86Å; W492-L496 WeakPolarHBondContact O-CB 3.31Å; W492-L496 VanDerWaalsContact O-CD1 3.31Å; W492-L496 WeakPolarHBondContact O-CD1 3.37Å; W492-L496 WeakPolarHBondContact O-CG 3.32Å; W492-L496 PolarHBondContact O-N 2.98Å; L493-L496 PolarHBondContact O-N 3.41Å; E494-L496 VanDerWaalsContact C-N 3.3Å; E494-L496 PolarHBondContact O-N 3.21Å; L496-S498 VanDerWaalsContact C-N 3.32Å; L496-S498 PolarHBondContact O-N 3.12Å; L496-G499 PolarHBondContact O-N 3.37Å; L496-I501 HydrophobicContact CD2-CG1 3.94Å; L496-I501 HydrophobicContact CG-CD1 4.26Å; L496-I501 HydrophobicContact CG-CG1 4Å |
| 497 | L | 98.6 | Very high | 98.4 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 19% | 0.188 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.8 | -28.3 | 177 | -74.7 | 171.8 | 0 | 0 | 0 | 112.4 | W435 N436 L439 M477 L493 E494 | W435-L497 PolarHBondContact NE1-O 2.96Å; N436-L497 HydrophobicContact CB-CD2 4.36Å; N436-L497 PolarHBondContact ND2-O 3.36Å; L439-L497 HydrophobicContact CD2-CD2 4.07Å; M477-L497 HydrophobicContact SD-CD2 3.68Å; M477-L497 HydrophobicContact SD-CG 4.05Å; L493-L497 HydrophobicContact CD1-CD1 3.98Å; L493-L497 HydrophobicContact CD1-CG 3.97Å; L493-L497 HydrophobicContact CD2-CD1 4.38Å; L493-L497 HydrophobicContact CG-CD1 3.76Å; L493-L497 HydrophobicContact CG-CG 4.22Å; L493-L497 WeakPolarHBondContact O-CB 3.49Å; L493-L497 WeakPolarHBondContact O-CG 3.3Å; L493-L497 PolarHBondContact O-N 2.91Å; E494-L497 PolarHBondContact O-N 3.37Å |
| 498 | S | 98 | Very high | 98.4 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 23% | 0.231 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -81.9 | -15.3 | 173.1 | 69.6 | 0 | 0 | 0 | 0 | 113.4 | K430 E494 P495 L496 E500 | K430-S498 VanDerWaalsContact CE-O 3.28Å; K430-S498 WeakPolarHBondContact CE-O 3.39Å; K430-S498 PolarHBondContact NZ-O 3.04Å; E494-S498 PolarHBondContact O-N 3.24Å; P495-S498 WeakPolarHBondContact CA-OG 3.45Å; P495-S498 PolarHBondContact O-OG 3.3Å; P495-S498 VanDerWaalsContact O-OG 3.14Å; L496-S498 VanDerWaalsContact C-N 3.32Å; L496-S498 PolarHBondContact O-N 3.12Å; S498-E500 WeakPolarHBondContact CB-OE1 3.48Å; S498-E500 VanDerWaalsContact OG-CG 3.27Å; S498-E500 WeakPolarHBondContact OG-CG 3.16Å; S498-E500 PolarHBondContact OG-OE1 3.38Å |
| 499 | G | 97.4 | Very high | 98.4 | Very high | 21 Ų | 21 | 41.5 Ų | 41.5 | 22% | 0.216 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 15.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P495 L496 | P495-G499 PolarHBondContact O-N 2.97Å; L496-G499 PolarHBondContact O-N 3.37Å |
| 500 | E | 97.4 | Very high | 98.3 | Very high | 137 Ų | 137 | 41 Ų | 41 | 64% | 0.64 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -72.4 | -34.5 | 178.6 | -75.8 | 164.8 | -134.1 | 0 | 0 | 112.7 | P495 S498 | P495-E500 HydrophobicContact CB-CB 4.48Å; P495-E500 PolarHBondContact O-N 2.98Å; S498-E500 WeakPolarHBondContact CB-OE1 3.48Å; S498-E500 VanDerWaalsContact OG-CG 3.27Å; S498-E500 WeakPolarHBondContact OG-CG 3.16Å; S498-E500 PolarHBondContact OG-OE1 3.38Å |
| 501 | I | 98.4 | Very high | 98.3 | Very high | 26 Ų | 26 | 39.6 Ų | 39.6 | 13% | 0.133 | 21% | 0.206 | C | C | . | . | trans | -123.6 | 161.1 | 176.3 | 72.4 | 177 | 0 | 0 | 0 | 110.3 | W492 P495 L496 T547 K549 V550 | W492-I501 HydrophobicContact CE3-CD1 4.02Å; P495-I501 HydrophobicContact CB-CD1 3.79Å; P495-I501 HydrophobicContact CB-CG1 3.76Å; P495-I501 HydrophobicContact CB-CG2 4.28Å; P495-I501 PolarHBondContact O-N 3.39Å; L496-I501 HydrophobicContact CD2-CG1 3.94Å; L496-I501 HydrophobicContact CG-CD1 4.26Å; L496-I501 HydrophobicContact CG-CG1 4Å; I501-T547 CarbonylContact C-O 3.5Å; I501-T547 WeakPolarHBondContact CA-O 3.43Å; I501-K549 HydrophobicContact CB-CB 4.17Å; I501-K549 HydrophobicContact CB-CG 4.01Å; I501-K549 HydrophobicContact CD1-CB 4.37Å; I501-K549 HydrophobicContact CG2-CB 4.12Å; I501-K549 HydrophobicContact CG2-CG 3.67Å; I501-V550 HydrophobicContact CD1-CG1 4.38Å | ||
| 502 | R | 98.4 | Very high | 98.3 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 171.2 | 166.2 | -63.3 | -162.7 | 68.5 | 173.7 | -3.6 | 110.2 | E465 D473 T547 C548 K549 | E465-R502 IonicContact OE1-NH1 3.56Å; E465-R502 IonicContact OE2-CZ 2.86Å; E465-R502 IonicContact OE2-NH1 2.7Å; E465-R502 PolarHBondContact OE2-NH1 3.43Å; D473-R502 IonicContact OD2-CZ 2.68Å; D473-R502 VanDerWaalsContact OD2-CZ 3.25Å; D473-R502 IonicContact OD2-NE 3.54Å; D473-R502 PolarHBondContact OD2-NE 3Å; D473-R502 IonicContact OD2-NH2 2.69Å; D473-R502 PolarHBondContact OD2-NH2 3.28Å; R502-T547 WeakPolarHBondContact CG-OG1 3.35Å; R502-T547 PolarHBondContact N-O 3Å; R502-C548 HydrophobicContact CB-CB 4.48Å; R502-C548 CarbonylContact O-C 3.59Å; R502-C548 WeakPolarHBondContact O-CA 3.48Å; R502-K549 PolarHBondContact O-N 3.33Å |
| 503 | S | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 163.3 | -179.2 | 64.8 | 0 | 0 | 0 | 0 | 111.5 | P472 D473 N476 V550 | P472-S503 WeakPolarHBondContact CG-O 3.45Å; D473-S503 WeakPolarHBondContact OD1-CA 3.47Å; D473-S503 PolarHBondContact OD1-N 2.86Å; D473-S503 PolarHBondContact OD1-OG 3.29Å; N476-S503 WeakPolarHBondContact CB-OG 3.42Å; N476-S503 WeakPolarHBondContact ND2-CB 3.35Å; N476-S503 PolarHBondContact ND2-OG 3.37Å; S503-V550 WeakPolarHBondContact CA-O 3.3Å; S503-V550 WeakPolarHBondContact CB-O 3.48Å |
| 504 | C | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 162.4 | 168.7 | 67.5 | 0 | 0 | 0 | 0 | 110.9 | N476 S541 A543 V550 A551 I552 | N476-C504 PolarHBondContact ND2-O 3.19Å; C504-S541 VanDerWaalsContact CB-O 3.25Å; C504-S541 WeakPolarHBondContact CB-O 3.47Å; C504-A543 HydrophobicContact CB-CB 4.14Å; C504-V550 PolarHBondContact N-O 3.14Å; C504-V550 VanDerWaalsContact N-O 3.09Å; C504-A551 WeakPolarHBondContact O-CA 3.41Å; C504-A551 VanDerWaalsContact SG-CB 3.58Å; C504-I552 PolarHBondContact O-N 3.14Å |
| 505 | F | 98.3 | Very high | 97.9 | Very high | 24 Ų | 24 | 36.2 Ų | 36.2 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 120.1 | 176.4 | -178.5 | -104.8 | 0 | 0 | 0 | 110.1 | M507 I552 M571 R629 | F505-M507 HydrophobicContact CD1-CB 3.91Å; F505-M507 HydrophobicContact CE1-CB 3.31Å; F505-M507 HydrophobicContact CE1-CG 4.06Å; F505-M507 HydrophobicContact CE1-SD 3.71Å; F505-M507 HydrophobicContact CZ-CB 3.88Å; F505-M507 HydrophobicContact CZ-CG 4.4Å; F505-M507 HydrophobicContact CZ-SD 4.02Å; F505-I552 HydrophobicContact CD2-CB 3.95Å; F505-I552 HydrophobicContact CD2-CG2 3.78Å; F505-I552 HydrophobicContact CE2-CB 4.48Å; F505-I552 HydrophobicContact CE2-CG2 3.8Å; F505-M571 HydrophobicContact CE2-CE 3.71Å; F505-M571 HydrophobicContact CE2-SD 4.07Å; F505-M571 HydrophobicContact CZ-CE 3.69Å; F505-R629 VanDerWaalsContact CG-NH2 3.35Å |
| 506 | C | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 91.2 | -171.3 | -64.1 | 0 | 0 | 0 | 0 | 109.7 | K537 S540 I552 V553 M554 F605 | C506-K537 HydrophobicContact CB-CB 4.03Å; C506-K537 HydrophobicContact CB-CD 4.48Å; C506-K537 HydrophobicContact CB-CG 3.92Å; C506-S540 PolarHBondContact SG-OG 3.43Å; C506-I552 PolarHBondContact N-O 3.15Å; C506-V553 HydrophobicContact CB-CB 4.36Å; C506-V553 HydrophobicContact CB-CG1 4.08Å; C506-V553 HydrophobicContact CB-CG2 4.11Å; C506-M554 PolarHBondContact O-N 2.86Å; C506-F605 HydrophobicContact CB-CE2 4.35Å; C506-F605 HydrophobicContact CB-CZ 4.27Å |
| 507 | M | 97.4 | Very high | 97.1 | Very high | 31 Ų | 31 | 38.2 Ų | 38.2 | 15% | 0.153 | 23% | 0.228 | C | C | . | . | trans | -119.7 | -53.3 | 180 | -177.9 | -178.2 | 175.1 | 0 | 0 | 111.8 | F505 M520 K537 M554 | F505-M507 HydrophobicContact CD1-CB 3.91Å; F505-M507 HydrophobicContact CE1-CB 3.31Å; F505-M507 HydrophobicContact CE1-CG 4.06Å; F505-M507 HydrophobicContact CE1-SD 3.71Å; F505-M507 HydrophobicContact CZ-CB 3.88Å; F505-M507 HydrophobicContact CZ-CG 4.4Å; F505-M507 HydrophobicContact CZ-SD 4.02Å; M507-M520 HydrophobicContact CB-SD 4.4Å; M507-M520 HydrophobicContact CE-CE 3.56Å; M507-M520 HydrophobicContact CE-SD 4.2Å; M507-M520 HydrophobicContact CG-CE 3.98Å; M507-M520 HydrophobicContact CG-SD 3.39Å; M507-M520 WeakPolarHBondContact CG-SD 3.4Å; M507-K537 WeakPolarHBondContact O-CD 3.35Å; M507-K537 PolarHBondContact O-NZ 3.47Å; M507-M554 HydrophobicContact CB-CB 4.36Å; M507-M554 HydrophobicContact CE-SD 3.98Å; M507-M554 HydrophobicContact CG-CB 4.22Å; M507-M554 HydrophobicContact CG-SD 4.09Å; M507-M554 HydrophobicContact SD-SD 4.18Å | ||
| 508 | T | 98.3 | Very high | 96.7 | Very high | 52 Ų | 52 | 37.1 Ų | 37.1 | 32% | 0.319 | 22% | 0.224 | S | C | . | . | trans | -63.7 | 137.6 | -177 | -42.3 | 0 | 0 | 0 | 0 | 111.7 | K537 W538 | T508-K537 CarbonylContact O-C 3.58Å; T508-K537 VanDerWaalsContact O-CA 3.29Å; T508-K537 WeakPolarHBondContact O-CA 3.33Å; T508-K537 WeakPolarHBondContact O-CD 3.41Å; T508-W538 WeakPolarHBondContact CB-O 3.34Å; T508-W538 PolarHBondContact O-N 3.21Å | ||
| 509 | E | 98.7 | Very high | 96.5 | Very high | 11 Ų | 11 | 38.4 Ų | 38.4 | 5% | 0.051 | 23% | 0.229 | C | C | . | . | trans | -116 | 142.6 | 179.1 | -65.3 | -179.1 | -168.8 | 0 | 0 | 109.9 | V512 S514 M520 E521 C522 K536 K537 W538 | E509-V512 HydrophobicContact CB-CG2 3.59Å; E509-V512 HydrophobicContact CG-CG2 4.4Å; E509-S514 PolarHBondContact N-OG 3.04Å; E509-S514 PolarHBondContact O-OG 3.4Å; E509-M520 HydrophobicContact CG-CG 4.43Å; E509-M520 WeakPolarHBondContact OE1-CB 3.29Å; E509-E521 VanDerWaalsContact CD-N 3.34Å; E509-E521 PolarHBondContact OE1-N 2.93Å; E509-E521 VanDerWaalsContact OE1-N 3.15Å; E509-E521 PolarHBondContact OE2-N 3.26Å; E509-C522 WeakPolarHBondContact OE1-CB 3.37Å; E509-C522 PolarHBondContact OE1-N 3Å; E509-C522 PolarHBondContact OE2-N 3Å; E509-K536 WeakPolarHBondContact CG-O 3.46Å; E509-K537 HydrophobicContact CG-CD 3.8Å; E509-K537 IonicContact OE1-NZ 3.59Å; E509-K537 PolarHBondContact OE1-NZ 3.34Å; E509-W538 PolarHBondContact O-NE1 3.39Å | ||
| 510 | P | 98.1 | Very high | 96.3 | Very high | 40 Ų | 40 | 37.4 Ų | 37.4 | 26% | 0.26 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -73 | -31.9 | -177.8 | 27.5 | -33.9 | 0 | 0 | 0 | 113 | K536 W538 | P510-K536 HydrophobicContact CG-CB 3.91Å; P510-K536 HydrophobicContact CG-CD 4.2Å; P510-W538 HydrophobicContact CB-CD2 4.1Å; P510-W538 HydrophobicContact CB-CG 4.08Å; P510-W538 VanDerWaalsContact N-CD1 3.32Å |
| 511 | D | 98.1 | Very high | 96.2 | Very high | 115 Ų | 115 | 36.1 Ų | 36.1 | 62% | 0.615 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -90.8 | -3.1 | -168.4 | -60.5 | -35.8 | 0 | 0 | 0 | 112.9 | K536 | D511-K536 IonicContact OD1-NZ 3.89Å; D511-K536 IonicContact OD2-NZ 2.79Å; D511-K536 PolarHBondContact OD2-NZ 3.38Å |
| 512 | V | 97.9 | Very high | 96.2 | Very high | 34 Ų | 34 | 35 Ų | 35 | 21% | 0.206 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -138.1 | 152 | -179.2 | -64 | 0 | 0 | 0 | 0 | 112.9 | E509 S514 N519 E521 | E509-V512 HydrophobicContact CB-CG2 3.59Å; E509-V512 HydrophobicContact CG-CG2 4.4Å; V512-S514 VanDerWaalsContact C-N 3.31Å; V512-S514 PolarHBondContact O-N 3.06Å; V512-S514 PolarHBondContact O-OG 2.93Å; V512-N519 HydrophobicContact CB-CB 4.3Å; V512-E521 HydrophobicContact CG1-CG 4.19Å |
| 513 | A | 97.4 | Very high | 96.1 | Very high | 64 Ų | 64 | 43.1 Ų | 43.1 | 53% | 0.529 | 24% | 0.237 | S | C | . | . | trans | -69.2 | 86.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S515 D516 N519 | A513-S515 PolarHBondContact O-N 3.26Å; A513-S515 VanDerWaalsContact O-N 3.13Å; A513-D516 PolarHBondContact O-N 2.78Å; A513-N519 PolarHBondContact O-ND2 3.43Å; A513-N519 VanDerWaalsContact O-ND2 3.17Å | ||
| 514 | S | 96.8 | Very high | 96 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 16% | 0.161 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -2.9 | -171 | -62.6 | 0 | 0 | 0 | 0 | 114.9 | E509 V512 D516 | E509-S514 PolarHBondContact N-OG 3.04Å; E509-S514 PolarHBondContact O-OG 3.4Å; V512-S514 VanDerWaalsContact C-N 3.31Å; V512-S514 PolarHBondContact O-N 3.06Å; V512-S514 PolarHBondContact O-OG 2.93Å; S514-D516 VanDerWaalsContact C-N 3.29Å |
| 515 | S | 93.2 | Very high | 95.7 | Very high | 74 Ų | 74 | 47.8 Ų | 47.8 | 52% | 0.517 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -30.6 | 172.3 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | A513 | A513-S515 PolarHBondContact O-N 3.26Å; A513-S515 VanDerWaalsContact O-N 3.13Å |
| 516 | D | 92.9 | Very high | 95.5 | Very high | 60 Ų | 60 | 52.8 Ų | 52.8 | 32% | 0.321 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -91 | 105.9 | 160.4 | 179.4 | 2.9 | 0 | 0 | 0 | 107.9 | A513 S514 A518 N519 R565 | A513-D516 PolarHBondContact O-N 2.78Å; S514-D516 VanDerWaalsContact C-N 3.29Å; D516-A518 PolarHBondContact O-N 3.08Å; D516-A518 VanDerWaalsContact OD1-CB 3.31Å; D516-A518 WeakPolarHBondContact OD1-CB 3.33Å; D516-A518 PolarHBondContact OD1-N 3.33Å; D516-N519 WeakPolarHBondContact O-CB 3.39Å; D516-N519 PolarHBondContact O-N 3.31Å; D516-R565 IonicContact OD2-NH2 2.79Å; D516-R565 PolarHBondContact OD2-NH2 3.29Å |
| 517 | G | 87.3 | Confident | 95.2 | Very high | 9 Ų | 9 | 54.9 Ų | 54.9 | 9% | 0.093 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -60.3 | -17.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N519 M520 | G517-N519 PolarHBondContact O-N 3.4Å; G517-M520 WeakPolarHBondContact O-CE 3.46Å; G517-M520 PolarHBondContact O-N 3.4Å |
| 518 | A | 90.1 | Very high | 94.9 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 11% | 0.107 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -70.9 | -19.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D516 M520 R565 F623 | D516-A518 PolarHBondContact O-N 3.08Å; D516-A518 VanDerWaalsContact OD1-CB 3.31Å; D516-A518 WeakPolarHBondContact OD1-CB 3.33Å; D516-A518 PolarHBondContact OD1-N 3.33Å; A518-M520 VanDerWaalsContact C-N 3.29Å; A518-M520 PolarHBondContact O-N 3.05Å; A518-R565 HydrophobicContact CB-CG 4.23Å; A518-F623 HydrophobicContact CB-CZ 4.35Å |
| 519 | N | 94.3 | Very high | 94.7 | Very high | 61 Ų | 61 | 64.5 Ų | 64.5 | 33% | 0.326 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -77.1 | -10.8 | -179.8 | -68.2 | -19.1 | 0 | 0 | 0 | 113.7 | V512 A513 D516 G517 E521 | V512-N519 HydrophobicContact CB-CB 4.3Å; A513-N519 PolarHBondContact O-ND2 3.43Å; A513-N519 VanDerWaalsContact O-ND2 3.17Å; D516-N519 WeakPolarHBondContact O-CB 3.39Å; D516-N519 PolarHBondContact O-N 3.31Å; G517-N519 PolarHBondContact O-N 3.4Å; N519-E521 VanDerWaalsContact O-CG 3.24Å; N519-E521 WeakPolarHBondContact O-CG 3.34Å; N519-E521 PolarHBondContact O-N 3.46Å |
| 520 | M | 94.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | -63.5 | 131 | -179.4 | -75.3 | 179.6 | -74.5 | 0 | 0 | 111.7 | M507 E509 G517 A518 M554 H569 | M507-M520 HydrophobicContact CB-SD 4.4Å; M507-M520 HydrophobicContact CE-CE 3.56Å; M507-M520 HydrophobicContact CE-SD 4.2Å; M507-M520 HydrophobicContact CG-CE 3.98Å; M507-M520 HydrophobicContact CG-SD 3.39Å; M507-M520 WeakPolarHBondContact CG-SD 3.4Å; E509-M520 HydrophobicContact CG-CG 4.43Å; E509-M520 WeakPolarHBondContact OE1-CB 3.29Å; G517-M520 WeakPolarHBondContact O-CE 3.46Å; G517-M520 PolarHBondContact O-N 3.4Å; A518-M520 VanDerWaalsContact C-N 3.29Å; A518-M520 PolarHBondContact O-N 3.05Å; M520-M554 HydrophobicContact CE-CE 3.44Å; M520-M554 VanDerWaalsContact CE-CE 3.44Å; M520-M554 HydrophobicContact CE-CG 3.9Å; M520-M554 HydrophobicContact CE-SD 3.48Å; M520-M554 WeakPolarHBondContact CE-SD 3.37Å; M520-M554 HydrophobicContact SD-CB 4.34Å; M520-M554 HydrophobicContact SD-CG 4.09Å; M520-M554 HydrophobicContact SD-SD 4.22Å; M520-H569 PolarHBondContact O-NE2 2.97Å | ||
| 521 | E | 95.4 | Very high | 94.6 | Very high | 110 Ų | 110 | 63.5 Ų | 63.5 | 51% | 0.514 | 33% | 0.327 | S | S | . | . | trans | -117.3 | -6.7 | -172.7 | -54.3 | -165.7 | 156.8 | 0 | 0 | 114.2 | E509 V512 N519 R523 | E509-E521 VanDerWaalsContact CD-N 3.34Å; E509-E521 PolarHBondContact OE1-N 2.93Å; E509-E521 VanDerWaalsContact OE1-N 3.15Å; E509-E521 PolarHBondContact OE2-N 3.26Å; V512-E521 HydrophobicContact CG1-CG 4.19Å; N519-E521 VanDerWaalsContact O-CG 3.24Å; N519-E521 WeakPolarHBondContact O-CG 3.34Å; N519-E521 PolarHBondContact O-N 3.46Å; E521-R523 WeakPolarHBondContact O-CG 3.34Å; E521-R523 PolarHBondContact O-N 3.1Å | ||
| 522 | C | 97.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.007 | 31% | 0.306 | C | S | . | . | trans | -51.5 | 113.6 | 174.9 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | E509 N534 C555 R556 | E509-C522 WeakPolarHBondContact OE1-CB 3.37Å; E509-C522 PolarHBondContact OE1-N 3Å; E509-C522 PolarHBondContact OE2-N 3Å; C522-N534 CarbonylContact C-O 3.56Å; C522-C555 CarbonylContact O-C 3.59Å; C522-C555 WeakPolarHBondContact O-CA 3.3Å; C522-C555 WeakPolarHBondContact O-CB 3.49Å; C522-R556 PolarHBondContact O-N 3.22Å | ||
| 523 | R | 96.6 | Very high | 94.6 | Very high | 182 Ų | 182 | 58 Ų | 58 | 69% | 0.687 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 139.8 | -164.7 | -61.2 | -172.3 | -179.9 | -156.3 | -0.5 | 111.5 | E521 I533 N534 | E521-R523 WeakPolarHBondContact O-CG 3.34Å; E521-R523 PolarHBondContact O-N 3.1Å; R523-I533 WeakPolarHBondContact O-CA 3.32Å; R523-N534 PolarHBondContact N-O 3.27Å; R523-N534 PolarHBondContact O-N 3.47Å |
| 524 | L | 95.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 113.1 | 169.2 | -173.6 | 72.9 | 0 | 0 | 0 | 109.1 | Y531 I533 C555 R556 S558 V572 M615 | L524-Y531 HydrophobicContact CD1-CD1 3.93Å; L524-Y531 HydrophobicContact CD1-CG 3.88Å; L524-Y531 HydrophobicContact CD2-CD1 4.06Å; L524-Y531 HydrophobicContact CD2-CE1 4.25Å; L524-Y531 HydrophobicContact CG-CD1 3.77Å; L524-Y531 HydrophobicContact CG-CE1 4.4Å; L524-Y531 HydrophobicContact CG-CG 4.25Å; L524-I533 HydrophobicContact CD1-CD1 4.29Å; L524-I533 HydrophobicContact CD1-CG1 3.62Å; L524-C555 HydrophobicContact CB-CB 3.65Å; L524-R556 PolarHBondContact N-O 3.45Å; L524-S558 PolarHBondContact O-N 3.28Å; L524-S558 PolarHBondContact O-OG 2.88Å; L524-V572 HydrophobicContact CD1-CG2 3.93Å; L524-V572 HydrophobicContact CD2-CG2 3.82Å; L524-M615 HydrophobicContact CD2-CE 3.67Å |
| 525 | H | 94.1 | Very high | 94.7 | Very high | 97 Ų | 97 | 57.8 Ų | 57.8 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.1 | 176.3 | -179.9 | 63.4 | 0 | 0 | 0 | 110.4 | Y531 I532 S558 | H525-Y531 CarbonylContact O-C 3.45Å; H525-Y531 VanDerWaalsContact O-CA 3.31Å; H525-Y531 WeakPolarHBondContact O-CA 3.48Å; H525-I532 PolarHBondContact N-O 3.26Å; H525-I532 PolarHBondContact O-N 3.45Å; H525-S558 PolarHBondContact ND1-OG 3.24Å |
| 526 | R | 93.3 | Very high | 95 | Very high | 129 Ų | 129 | 58.3 Ų | 58.3 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 118.5 | 175.4 | -170.4 | 164.5 | 177.6 | 168.9 | -4.8 | 110.2 | Y531 E619 | R526-Y531 HydrophobicContact CB-CD1 3.9Å; R526-Y531 HydrophobicContact CB-CE1 3.66Å; R526-Y531 HydrophobicContact CG-CD1 4.2Å; R526-Y531 HydrophobicContact CG-CE1 3.77Å; R526-E619 WeakPolarHBondContact CD-OE1 3.44Å; R526-E619 IonicContact CZ-OE1 3.77Å; R526-E619 IonicContact NE-OE1 3.99Å; R526-E619 IonicContact NH1-OE1 2.77Å; R526-E619 PolarHBondContact NH1-OE1 2.82Å |
| 527 | D | 91.6 | Very high | 95.3 | Very high | 43 Ų | 43 | 55.4 Ų | 55.4 | 23% | 0.23 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 98.9 | 169.9 | 176.4 | 30.4 | 0 | 0 | 0 | 109.8 | T529 T530 I532 R609 | D527-T529 PolarHBondContact O-N 3.17Å; D527-T530 CarbonylContact C-O 3.45Å; D527-T530 PolarHBondContact N-O 3.2Å; D527-T530 PolarHBondContact O-N 3Å; D527-T530 VanDerWaalsContact O-O 3.04Å; D527-T530 PolarHBondContact O-OG1 3.46Å; D527-I532 HydrophobicContact CB-CD1 4.08Å; D527-I532 HydrophobicContact CB-CG1 4.49Å; D527-R609 IonicContact OD2-CZ 3.02Å; D527-R609 IonicContact OD2-NH1 2.83Å; D527-R609 PolarHBondContact OD2-NH1 3.11Å; D527-R609 IonicContact OD2-NH2 2.9Å; D527-R609 PolarHBondContact OD2-NH2 2.83Å |
| 528 | K | 90.9 | Very high | 95.8 | Very high | 175 Ų | 175 | 58.4 Ų | 58.4 | 76% | 0.761 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | -101.5 | -179.6 | -60.6 | 173.5 | -177.6 | 176.1 | 0 | 112.4 | ||
| 529 | T | 94.4 | Very high | 96.2 | Very high | 111 Ų | 111 | 61.8 Ų | 61.8 | 68% | 0.681 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 4.4 | -176.5 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | D527 A612 | D527-T529 PolarHBondContact O-N 3.17Å; T529-A612 VanDerWaalsContact O-CB 3.28Å; T529-A612 WeakPolarHBondContact O-CB 3.42Å; T529-A612 PolarHBondContact O-N 3.28Å |
| 530 | T | 96.9 | Very high | 96.4 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 14% | 0.141 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 162.6 | -177.4 | 60.7 | 0 | 0 | 0 | 0 | 111.6 | D527 R609 V610 | D527-T530 CarbonylContact C-O 3.45Å; D527-T530 PolarHBondContact N-O 3.2Å; D527-T530 PolarHBondContact O-N 3Å; D527-T530 VanDerWaalsContact O-O 3.04Å; D527-T530 PolarHBondContact O-OG1 3.46Å; T530-R609 HydrophobicContact CG2-CG 4.31Å; T530-R609 PolarHBondContact OG1-NH1 3.37Å; T530-V610 CarbonylContact C-O 3.48Å; T530-V610 WeakPolarHBondContact CA-O 3.38Å; T530-V610 VanDerWaalsContact CB-O 3.27Å; T530-V610 WeakPolarHBondContact CB-O 3.5Å |
| 531 | Y | 97.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 60.8 Ų | 60.8 | 3% | 0.027 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 145.6 | 165.4 | -67.7 | -75.7 | 0 | 0 | 0 | 110.5 | L524 H525 R526 R609 V610 A612 M615 E619 | L524-Y531 HydrophobicContact CD1-CD1 3.93Å; L524-Y531 HydrophobicContact CD1-CG 3.88Å; L524-Y531 HydrophobicContact CD2-CD1 4.06Å; L524-Y531 HydrophobicContact CD2-CE1 4.25Å; L524-Y531 HydrophobicContact CG-CD1 3.77Å; L524-Y531 HydrophobicContact CG-CE1 4.4Å; L524-Y531 HydrophobicContact CG-CG 4.25Å; H525-Y531 CarbonylContact O-C 3.45Å; H525-Y531 VanDerWaalsContact O-CA 3.31Å; H525-Y531 WeakPolarHBondContact O-CA 3.48Å; R526-Y531 HydrophobicContact CB-CD1 3.9Å; R526-Y531 HydrophobicContact CB-CE1 3.66Å; R526-Y531 HydrophobicContact CG-CD1 4.2Å; R526-Y531 HydrophobicContact CG-CE1 3.77Å; Y531-R609 CarbonylContact O-C 3.37Å; Y531-R609 VanDerWaalsContact O-CA 3.29Å; Y531-R609 WeakPolarHBondContact O-CA 3.28Å; Y531-V610 PolarHBondContact N-O 2.91Å; Y531-V610 PolarHBondContact O-N 3.47Å; Y531-A612 HydrophobicContact CD2-CB 4.43Å; Y531-A612 HydrophobicContact CE2-CB 3.98Å; Y531-M615 HydrophobicContact CD2-CE 4.42Å; Y531-M615 HydrophobicContact CE1-CE 3.99Å; Y531-M615 HydrophobicContact CE2-CB 4.12Å; Y531-M615 HydrophobicContact CE2-CE 3.7Å; Y531-M615 VanDerWaalsContact CZ-CE 3.46Å; Y531-M615 WeakPolarHBondContact OH-CE 3.48Å; Y531-E619 WeakPolarHBondContact OH-CG 3.41Å; Y531-E619 PolarHBondContact OH-OE1 3.25Å |
| 532 | I | 98.1 | Very high | 96.6 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 16% | 0.164 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 125.9 | 171.5 | -57.2 | 171.9 | 0 | 0 | 0 | 107.8 | H525 D527 V608 R609 | H525-I532 PolarHBondContact N-O 3.26Å; H525-I532 PolarHBondContact O-N 3.45Å; D527-I532 HydrophobicContact CB-CD1 4.08Å; D527-I532 HydrophobicContact CB-CG1 4.49Å; I532-V608 CarbonylContact C-O 3.44Å; I532-V608 WeakPolarHBondContact CA-O 3.42Å; I532-R609 HydrophobicContact CG1-CG 4.27Å |
| 533 | I | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 130.6 | -178.4 | -56.5 | 168.4 | 0 | 0 | 0 | 109.2 | R523 L524 V572 V574 F605 N607 V608 V610 | R523-I533 WeakPolarHBondContact O-CA 3.32Å; L524-I533 HydrophobicContact CD1-CD1 4.29Å; L524-I533 HydrophobicContact CD1-CG1 3.62Å; I533-V572 HydrophobicContact CD1-CG1 4.26Å; I533-V574 HydrophobicContact CD1-CG2 3.46Å; I533-V574 VanDerWaalsContact CD1-CG2 3.46Å; I533-F605 HydrophobicContact CG2-CB 3.84Å; I533-F605 HydrophobicContact CG2-CD1 4.35Å; I533-F605 HydrophobicContact CG2-CG 4.11Å; I533-N607 PolarHBondContact O-N 3.45Å; I533-V608 HydrophobicContact CB-CB 4.26Å; I533-V608 PolarHBondContact N-O 2.85Å; I533-V608 PolarHBondContact O-N 2.8Å; I533-V608 VanDerWaalsContact O-N 3.11Å; I533-V610 HydrophobicContact CD1-CG2 4.2Å |
| 534 | N | 98.6 | Very high | 96.7 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 32% | 0.316 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 122.1 | 176.7 | -83.2 | -67.9 | 0 | 0 | 0 | 111.4 | C522 R523 F605 N607 | C522-N534 CarbonylContact C-O 3.56Å; R523-N534 PolarHBondContact N-O 3.27Å; R523-N534 PolarHBondContact O-N 3.47Å; N534-F605 CarbonylContact C-O 3.52Å; N534-F605 VanDerWaalsContact CA-O 3.27Å; N534-F605 WeakPolarHBondContact CA-O 3.39Å; N534-N607 PolarHBondContact ND2-OD1 3.44Å; N534-N607 PolarHBondContact OD1-N 3.04Å; N534-N607 PolarHBondContact OD1-OD1 3.16Å |
| 535 | G | 98.1 | Very high | 96.7 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 25% | 0.247 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.5 | 179.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F605 | G535-F605 PolarHBondContact N-O 3.37Å; G535-F605 PolarHBondContact O-N 2.99Å |
| 536 | K | 98.8 | Very high | 96.7 | Very high | 85 Ų | 85 | 45.6 Ų | 45.6 | 37% | 0.37 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 139 | 176.7 | -54.2 | -179.9 | -164 | 152.8 | 0 | 109.6 | E509 P510 D511 | E509-K536 WeakPolarHBondContact CG-O 3.46Å; P510-K536 HydrophobicContact CG-CB 3.91Å; P510-K536 HydrophobicContact CG-CD 4.2Å; D511-K536 IonicContact OD1-NZ 3.89Å; D511-K536 IonicContact OD2-NZ 2.79Å; D511-K536 PolarHBondContact OD2-NZ 3.38Å |
| 537 | K | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 151.4 | 171.4 | -63.7 | -70 | -173.4 | -170.8 | 0 | 108.8 | C506 M507 T508 E509 M554 E602 V603 F605 | C506-K537 HydrophobicContact CB-CB 4.03Å; C506-K537 HydrophobicContact CB-CD 4.48Å; C506-K537 HydrophobicContact CB-CG 3.92Å; M507-K537 WeakPolarHBondContact O-CD 3.35Å; M507-K537 PolarHBondContact O-NZ 3.47Å; T508-K537 CarbonylContact O-C 3.58Å; T508-K537 VanDerWaalsContact O-CA 3.29Å; T508-K537 WeakPolarHBondContact O-CA 3.33Å; T508-K537 WeakPolarHBondContact O-CD 3.41Å; E509-K537 HydrophobicContact CG-CD 3.8Å; E509-K537 IonicContact OE1-NZ 3.59Å; E509-K537 PolarHBondContact OE1-NZ 3.34Å; K537-M554 WeakPolarHBondContact CE-O 3.28Å; K537-M554 PolarHBondContact NZ-O 2.91Å; K537-E602 CarbonylContact O-C 3.05Å; K537-E602 WeakPolarHBondContact O-CA 3.5Å; K537-V603 PolarHBondContact N-O 3.34Å; K537-V603 PolarHBondContact O-N 2.91Å; K537-V603 VanDerWaalsContact O-O 3.11Å; K537-F605 HydrophobicContact CB-CE2 4.1Å; K537-F605 HydrophobicContact CG-CD2 4.21Å; K537-F605 HydrophobicContact CG-CE2 3.76Å |
| 538 | W | 98.6 | Very high | 97.1 | Very high | 71 Ų | 71 | 40.5 Ų | 40.5 | 27% | 0.269 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 167.7 | 175.5 | 77 | -40.1 | 0 | 0 | 0 | 110.8 | T508 E509 P510 S540 L587 F601 E602 | T508-W538 WeakPolarHBondContact CB-O 3.34Å; T508-W538 PolarHBondContact O-N 3.21Å; E509-W538 PolarHBondContact O-NE1 3.39Å; P510-W538 HydrophobicContact CB-CD2 4.1Å; P510-W538 HydrophobicContact CB-CG 4.08Å; P510-W538 VanDerWaalsContact N-CD1 3.32Å; W538-S540 PolarHBondContact O-N 2.93Å; W538-L587 HydrophobicContact CB-CD1 4.24Å; W538-L587 HydrophobicContact CD2-CD1 4.42Å; W538-L587 HydrophobicContact CE3-CD1 3.79Å; W538-L587 HydrophobicContact CE3-CD2 4.31Å; W538-F601 WeakPolarHBondContact CA-O 3.45Å; W538-E602 HydrophobicContact CB-CB 4.23Å; W538-E602 HydrophobicContact CB-CG 4.21Å |
| 539 | W | 98.5 | Very high | 97.5 | Very high | 84 Ų | 84 | 37.2 Ų | 37.2 | 32% | 0.318 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 60 | 30.5 | -168.2 | -59.3 | 102.7 | 0 | 0 | 0 | 113.3 | S541 L587 V589 H600 F601 | W539-S541 PolarHBondContact O-N 3.46Å; W539-L587 HydrophobicContact CD2-CD1 3.6Å; W539-L587 HydrophobicContact CE3-CB 4.32Å; W539-L587 HydrophobicContact CE3-CD1 3.88Å; W539-L587 HydrophobicContact CG-CD1 3.96Å; W539-L587 HydrophobicContact CH2-CB 4.02Å; W539-L587 HydrophobicContact CH2-CD1 4.38Å; W539-L587 HydrophobicContact CZ2-CB 4.47Å; W539-L587 HydrophobicContact CZ2-CD1 4.14Å; W539-L587 HydrophobicContact CZ3-CB 3.94Å; W539-L587 HydrophobicContact CZ3-CD1 4.25Å; W539-V589 HydrophobicContact CH2-CG2 3.99Å; W539-V589 HydrophobicContact CZ3-CG2 3.76Å; W539-H600 HydrophobicContact CE3-CB 3.79Å; W539-H600 AromaticContact CE3-CG 3.97Å; W539-H600 HydrophobicContact CZ3-CB 4.16Å; W539-F601 PolarHBondContact N-O 2.97Å |
| 540 | S | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 87.9 | 173.6 | -60.6 | 0 | 0 | 0 | 0 | 109.5 | C506 W538 A543 F601 | C506-S540 PolarHBondContact SG-OG 3.43Å; W538-S540 PolarHBondContact O-N 2.93Å; S540-A543 WeakPolarHBondContact O-CB 3.39Å; S540-A543 PolarHBondContact O-N 3.33Å; S540-F601 PolarHBondContact N-O 2.89Å; S540-F601 VanDerWaalsContact N-O 3.1Å; S540-F601 PolarHBondContact O-N 3.45Å |
| 541 | S | 98.1 | Very high | 97.8 | Very high | 41 Ų | 41 | 31 Ų | 31 | 29% | 0.287 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 138.7 | -179.3 | -52 | 0 | 0 | 0 | 0 | 112 | P472 C504 W539 A543 G599 H600 | P472-S541 WeakPolarHBondContact CG-O 3.24Å; C504-S541 VanDerWaalsContact CB-O 3.25Å; C504-S541 WeakPolarHBondContact CB-O 3.47Å; W539-S541 PolarHBondContact O-N 3.46Å; S541-A543 PolarHBondContact O-N 2.86Å; S541-G599 CarbonylContact C-O 3.55Å; S541-G599 WeakPolarHBondContact CA-O 3.33Å; S541-H600 PolarHBondContact OG-CE1 2.88Å; S541-H600 PolarHBondContact OG-ND1 3.42Å |
| 542 | G | 97.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -7.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | G544 S545 C548 H597 G599 | G542-G544 PolarHBondContact O-N 2.97Å; G542-S545 VanDerWaalsContact O-CB 3.3Å; G542-S545 WeakPolarHBondContact O-CB 3.4Å; G542-S545 PolarHBondContact O-N 3.43Å; G542-C548 WeakPolarHBondContact O-CB 3.5Å; G542-H597 WeakPolarHBondContact CA-O 3.36Å; G542-G599 PolarHBondContact N-O 3.01Å |
| 543 | A | 98.1 | Very high | 97.9 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | C504 S540 S541 S545 M576 L583 F601 V603 | C504-A543 HydrophobicContact CB-CB 4.14Å; S540-A543 WeakPolarHBondContact O-CB 3.39Å; S540-A543 PolarHBondContact O-N 3.33Å; S541-A543 PolarHBondContact O-N 2.86Å; A543-S545 VanDerWaalsContact C-N 3.26Å; A543-S545 PolarHBondContact O-N 3.03Å; A543-M576 HydrophobicContact CB-CE 4.4Å; A543-L583 WeakPolarHBondContact O-CD2 3.41Å; A543-F601 HydrophobicContact CB-CB 4.12Å; A543-F601 HydrophobicContact CB-CD2 4.43Å; A543-F601 HydrophobicContact CB-CG 4.48Å; A543-V603 HydrophobicContact CB-CG2 4.38Å |
| 544 | G | 96.5 | Very high | 97.8 | Very high | 14 Ų | 14 | 29.2 Ų | 29.2 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -16.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | W416 G542 A546 G598 | W416-G544 WeakPolarHBondContact CB-O 3.2Å; G542-G544 PolarHBondContact O-N 2.97Å; G544-A546 PolarHBondContact O-N 3.07Å; G544-G598 WeakPolarHBondContact CA-O 3.36Å; G544-G598 PolarHBondContact N-O 3.19Å |
| 545 | S | 96.1 | Very high | 97.7 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -62.1 | 132.8 | 178.3 | 176 | 0 | 0 | 0 | 0 | 111 | W416 G542 A543 T547 C548 | W416-S545 WeakPolarHBondContact O-CA 3.25Å; G542-S545 VanDerWaalsContact O-CB 3.3Å; G542-S545 WeakPolarHBondContact O-CB 3.4Å; G542-S545 PolarHBondContact O-N 3.43Å; A543-S545 VanDerWaalsContact C-N 3.26Å; A543-S545 PolarHBondContact O-N 3.03Å; S545-T547 PolarHBondContact O-N 3.12Å; S545-T547 VanDerWaalsContact O-N 3.13Å; S545-T547 PolarHBondContact OG-N 3.22Å; S545-T547 PolarHBondContact OG-OG1 3.19Å; S545-C548 VanDerWaalsContact O-CB 3.29Å; S545-C548 WeakPolarHBondContact O-CB 3.35Å; S545-C548 PolarHBondContact O-N 3.41Å |
| 546 | A | 93 | Very high | 97.5 | Very high | 40 Ų | 40 | 29.9 Ų | 29.9 | 33% | 0.331 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | H417 G544 K549 | H417-A546 WeakPolarHBondContact NE2-CB 3.25Å; G544-A546 PolarHBondContact O-N 3.07Å; A546-K549 WeakPolarHBondContact O-CE 3.47Å; A546-K549 PolarHBondContact O-NZ 2.83Å |
| 547 | T | 96.3 | Very high | 96.8 | Very high | 59 Ų | 59 | 26.4 Ų | 26.4 | 36% | 0.362 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -3.3 | 175.7 | 58.2 | 0 | 0 | 0 | 0 | 113 | I501 R502 S545 K549 | I501-T547 CarbonylContact C-O 3.5Å; I501-T547 WeakPolarHBondContact CA-O 3.43Å; R502-T547 WeakPolarHBondContact CG-OG1 3.35Å; R502-T547 PolarHBondContact N-O 3Å; S545-T547 PolarHBondContact O-N 3.12Å; S545-T547 VanDerWaalsContact O-N 3.13Å; S545-T547 PolarHBondContact OG-N 3.22Å; S545-T547 PolarHBondContact OG-OG1 3.19Å; T547-K549 WeakPolarHBondContact O-CG 3.04Å; T547-K549 PolarHBondContact O-N 3.2Å |
| 548 | C | 98.3 | Very high | 95.4 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 99.6 | 172.7 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | R502 G542 S545 M576 | R502-C548 HydrophobicContact CB-CB 4.48Å; R502-C548 CarbonylContact O-C 3.59Å; R502-C548 WeakPolarHBondContact O-CA 3.48Å; G542-C548 WeakPolarHBondContact O-CB 3.5Å; S545-C548 VanDerWaalsContact O-CB 3.29Å; S545-C548 WeakPolarHBondContact O-CB 3.35Å; S545-C548 PolarHBondContact O-N 3.41Å; C548-M576 WeakPolarHBondContact O-CG 3.43Å |
| 549 | K | 98.6 | Very high | 93.7 | Very high | 106 Ų | 106 | 28.4 Ų | 28.4 | 46% | 0.461 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -16.1 | -174.6 | -61 | -46 | -172.2 | -169.1 | 0 | 114.3 | I501 R502 A546 T547 P575 M576 | I501-K549 HydrophobicContact CB-CB 4.17Å; I501-K549 HydrophobicContact CB-CG 4.01Å; I501-K549 HydrophobicContact CD1-CB 4.37Å; I501-K549 HydrophobicContact CG2-CB 4.12Å; I501-K549 HydrophobicContact CG2-CG 3.67Å; R502-K549 PolarHBondContact O-N 3.33Å; A546-K549 WeakPolarHBondContact O-CE 3.47Å; A546-K549 PolarHBondContact O-NZ 2.83Å; T547-K549 WeakPolarHBondContact O-CG 3.04Å; T547-K549 PolarHBondContact O-N 3.2Å; K549-P575 WeakPolarHBondContact O-CA 3.4Å; K549-M576 PolarHBondContact O-N 3.25Å |
| 550 | V | 98.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 138.4 | -177.5 | 66.2 | 0 | 0 | 0 | 0 | 112.5 | W492 I501 S503 C504 L573 | W492-V550 HydrophobicContact CD2-CB 4.16Å; W492-V550 HydrophobicContact CD2-CG1 4.39Å; W492-V550 HydrophobicContact CD2-CG2 3.94Å; W492-V550 HydrophobicContact CE3-CB 3.66Å; W492-V550 HydrophobicContact CE3-CG1 3.89Å; W492-V550 HydrophobicContact CE3-CG2 3.96Å; W492-V550 HydrophobicContact CG-CG2 4.49Å; W492-V550 HydrophobicContact CH2-CB 4.3Å; W492-V550 HydrophobicContact CH2-CG2 4.34Å; W492-V550 HydrophobicContact CZ2-CG2 4.33Å; W492-V550 HydrophobicContact CZ3-CB 3.75Å; W492-V550 HydrophobicContact CZ3-CG1 4.4Å; W492-V550 HydrophobicContact CZ3-CG2 4.17Å; I501-V550 HydrophobicContact CD1-CG1 4.38Å; S503-V550 WeakPolarHBondContact CA-O 3.3Å; S503-V550 WeakPolarHBondContact CB-O 3.48Å; C504-V550 PolarHBondContact N-O 3.14Å; C504-V550 VanDerWaalsContact N-O 3.09Å; V550-L573 HydrophobicContact CG2-CB 4.44Å; V550-L573 HydrophobicContact CG2-CD2 3.87Å |
| 551 | A | 98.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | C504 V553 L573 V574 M576 | C504-A551 WeakPolarHBondContact O-CA 3.41Å; C504-A551 VanDerWaalsContact SG-CB 3.58Å; A551-V553 HydrophobicContact CB-CG2 3.88Å; A551-L573 WeakPolarHBondContact O-CA 3.43Å; A551-V574 HydrophobicContact CB-CB 4.48Å; A551-V574 PolarHBondContact N-O 2.86Å; A551-V574 PolarHBondContact O-N 3.28Å; A551-M576 HydrophobicContact CB-SD 3.77Å |
| 552 | I | 98.7 | Very high | 87.6 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 116.8 | 158.4 | -68.4 | 172.6 | 0 | 0 | 0 | 107.1 | N476 V479 C504 F505 C506 M571 L573 I616 | N476-I552 HydrophobicContact CB-CD1 3.86Å; V479-I552 HydrophobicContact CB-CD1 4.21Å; V479-I552 HydrophobicContact CG1-CD1 4.05Å; C504-I552 PolarHBondContact O-N 3.14Å; F505-I552 HydrophobicContact CD2-CB 3.95Å; F505-I552 HydrophobicContact CD2-CG2 3.78Å; F505-I552 HydrophobicContact CE2-CB 4.48Å; F505-I552 HydrophobicContact CE2-CG2 3.8Å; C506-I552 PolarHBondContact N-O 3.15Å; I552-M571 HydrophobicContact CG2-CB 4.3Å; I552-M571 HydrophobicContact CG2-CG 4.42Å; I552-M571 HydrophobicContact CG2-SD 3.91Å; I552-L573 HydrophobicContact CD1-CD2 4.4Å; I552-L573 HydrophobicContact CG1-CD2 3.69Å; I552-I616 HydrophobicContact CD1-CD1 4.19Å; I552-I616 HydrophobicContact CG1-CD1 4.05Å; I552-I616 HydrophobicContact CG2-CD1 4.02Å |
| 553 | V | 98.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.4 | -174.5 | -166.4 | 0 | 0 | 0 | 0 | 109.9 | C506 A551 C555 M571 V572 V574 F605 | C506-V553 HydrophobicContact CB-CB 4.36Å; C506-V553 HydrophobicContact CB-CG1 4.08Å; C506-V553 HydrophobicContact CB-CG2 4.11Å; A551-V553 HydrophobicContact CB-CG2 3.88Å; V553-C555 VanDerWaalsContact CG1-SG 3.58Å; V553-M571 WeakPolarHBondContact O-CA 3.45Å; V553-V572 PolarHBondContact N-O 3.27Å; V553-V572 PolarHBondContact O-N 3.5Å; V553-V574 HydrophobicContact CB-CG2 4.27Å; V553-V574 HydrophobicContact CG2-CB 3.94Å; V553-V574 HydrophobicContact CG2-CG2 3.55Å; V553-F605 HydrophobicContact CG1-CE2 4.13Å; V553-F605 HydrophobicContact CG1-CZ 4.08Å; V553-F605 HydrophobicContact CG2-CE1 3.72Å; V553-F605 HydrophobicContact CG2-CE2 4.44Å; V553-F605 HydrophobicContact CG2-CZ 3.59Å |
| 554 | M | 97.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 121.3 | 172.3 | -172.3 | 159.8 | 177.3 | 0 | 0 | 110.1 | C506 M507 M520 K537 H569 S570 M571 F623 A626 | C506-M554 PolarHBondContact O-N 2.86Å; M507-M554 HydrophobicContact CB-CB 4.36Å; M507-M554 HydrophobicContact CE-SD 3.98Å; M507-M554 HydrophobicContact CG-CB 4.22Å; M507-M554 HydrophobicContact CG-SD 4.09Å; M507-M554 HydrophobicContact SD-SD 4.18Å; M520-M554 HydrophobicContact CE-CE 3.44Å; M520-M554 VanDerWaalsContact CE-CE 3.44Å; M520-M554 HydrophobicContact CE-CG 3.9Å; M520-M554 HydrophobicContact CE-SD 3.48Å; M520-M554 WeakPolarHBondContact CE-SD 3.37Å; M520-M554 HydrophobicContact SD-CB 4.34Å; M520-M554 HydrophobicContact SD-CG 4.09Å; M520-M554 HydrophobicContact SD-SD 4.22Å; K537-M554 WeakPolarHBondContact CE-O 3.28Å; K537-M554 PolarHBondContact NZ-O 2.91Å; M554-H569 HydrophobicContact CE-CB 3.44Å; M554-H569 VanDerWaalsContact CE-CB 3.44Å; M554-H569 HydrophobicContact CG-CB 4.46Å; M554-S570 WeakPolarHBondContact CA-O 3.03Å; M554-M571 HydrophobicContact SD-CE 4.01Å; M554-F623 HydrophobicContact CE-CD1 4.23Å; M554-F623 HydrophobicContact CE-CD2 4.19Å; M554-F623 HydrophobicContact CE-CE1 4.37Å; M554-F623 HydrophobicContact CE-CE2 4.36Å; M554-F623 HydrophobicContact CE-CG 4.16Å; M554-F623 HydrophobicContact CE-CZ 4.46Å; M554-A626 HydrophobicContact SD-CB 4.42Å |
| 555 | C | 96.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 154.2 | -175.4 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | C522 L524 V553 H569 S570 | C522-C555 CarbonylContact O-C 3.59Å; C522-C555 WeakPolarHBondContact O-CA 3.3Å; C522-C555 WeakPolarHBondContact O-CB 3.49Å; L524-C555 HydrophobicContact CB-CB 3.65Å; V553-C555 VanDerWaalsContact CG1-SG 3.58Å; C555-H569 CarbonylContact O-C 3.58Å; C555-H569 VanDerWaalsContact O-CA 3.23Å; C555-H569 WeakPolarHBondContact O-CA 3.34Å; C555-S570 PolarHBondContact N-O 2.83Å; C555-S570 PolarHBondContact O-N 3.4Å |
| 556 | R | 94.1 | Very high | 82.4 | Confident | 97 Ų | 97 | 60.6 Ų | 60.6 | 37% | 0.366 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122 | 170.4 | -170.5 | 175.2 | -178.1 | -177.3 | -0.2 | 109.7 | C522 L524 Q568 | C522-R556 PolarHBondContact O-N 3.22Å; L524-R556 PolarHBondContact N-O 3.45Å; R556-Q568 CarbonylContact C-O 3.54Å; R556-Q568 WeakPolarHBondContact CA-O 3.44Å |
| 557 | S | 84.3 | Confident | 82 | Confident | 13 Ų | 13 | 59.2 Ų | 59.2 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 140.7 | 176.6 | -67.7 | 0 | 0 | 0 | 0 | 110.7 | S559 Q568 S570 | S557-S559 VanDerWaalsContact C-N 3.33Å; S557-Q568 PolarHBondContact N-O 2.76Å; S557-S570 PolarHBondContact OG-OG 2.75Å |
| 558 | S | 69.4 | Low | 81.7 | Confident | 78 Ų | 78 | 59 Ų | 59 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -73.6 | -21.6 | 176.9 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | L524 H525 | L524-S558 PolarHBondContact O-N 3.28Å; L524-S558 PolarHBondContact O-OG 2.88Å; H525-S558 PolarHBondContact ND1-OG 3.24Å |
| 559 | S | 62.7 | Low | 81.5 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 25% | 0.245 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -88.2 | 134.8 | 176.1 | 45.4 | 0 | 0 | 0 | 0 | 110.5 | S557 H561 E619 | S557-S559 VanDerWaalsContact C-N 3.33Å; S559-H561 PolarHBondContact O-N 3.13Å; S559-H561 PolarHBondContact OG-CD2 2.95Å; S559-H561 PolarHBondContact OG-NE2 2.93Å; S559-E619 PolarHBondContact OG-OE2 2.81Å |
| 560 | E | 59.8 | Low | 81.4 | Confident | 175 Ų | 175 | 53.7 Ų | 53.7 | 82% | 0.818 | 28% | 0.282 | S | S | * | . | trans | -69.3 | 70.4 | 167.7 | -69.7 | -170.9 | 161.3 | 0 | 0 | 109.7 | G562 | E560-G562 PolarHBondContact O-N 2.93Å; E560-G562 VanDerWaalsContact O-N 3.11Å | ||
| 561 | H | 54.7 | Low | 81.3 | Confident | 103 Ų | 103 | 53.6 Ų | 53.6 | 48% | 0.477 | 28% | 0.281 | S | S | . | . | trans | -83 | 86 | 173.6 | -75.3 | -5.6 | 0 | 0 | 0 | 109.3 | S559 E619 | S559-H561 PolarHBondContact O-N 3.13Å; S559-H561 PolarHBondContact OG-CD2 2.95Å; S559-H561 PolarHBondContact OG-NE2 2.93Å; H561-E619 IonicContact CD2-OE2 3.17Å; H561-E619 PolarHBondContact CD2-OE2 3.33Å; H561-E619 IonicContact NE2-OE2 3.53Å | ||
| 562 | G | 53.1 | Low | 81.3 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 45% | 0.454 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 109.3 | 132.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | E560 S564 | E560-G562 PolarHBondContact O-N 2.93Å; E560-G562 VanDerWaalsContact O-N 3.11Å; G562-S564 PolarHBondContact O-N 3.38Å |
| 563 | N | 55.8 | Low | 81.3 | Confident | 184 Ų | 184 | 53.6 Ų | 53.6 | 98% | 0.984 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -66 | 14.6 | -179.4 | -70.2 | -10.1 | 0 | 0 | 0 | 114.7 | ||
| 564 | S | 71.5 | Confident | 81.3 | Confident | 66 Ų | 66 | 53.6 Ų | 53.6 | 46% | 0.462 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -118.8 | 137.1 | -176.2 | 84.8 | 0 | 0 | 0 | 0 | 111.6 | G562 H566 G567 | G562-S564 PolarHBondContact O-N 3.38Å; S564-H566 PolarHBondContact O-N 2.97Å; S564-G567 PolarHBondContact O-N 3.35Å |
| 565 | R | 74 | Confident | 81.3 | Confident | 153 Ų | 153 | 54.4 Ų | 54.4 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -51.5 | -27.5 | 177.5 | -178.4 | 175 | 169.2 | 155 | -4.8 | 113.5 | D516 A518 | D516-R565 IonicContact OD2-NH2 2.79Å; D516-R565 PolarHBondContact OD2-NH2 3.29Å; A518-R565 HydrophobicContact CB-CG 4.23Å |
| 566 | H | 76.6 | Confident | 81.5 | Confident | 109 Ų | 109 | 55.6 Ų | 55.6 | 51% | 0.505 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -92.1 | 0.7 | -179.1 | -63.9 | -57.1 | 0 | 0 | 0 | 114.8 | S564 F623 | S564-H566 PolarHBondContact O-N 2.97Å; H566-F623 HydrophobicContact CB-CD2 4.18Å; H566-F623 AromaticContact ND1-CE2 3.98Å; H566-F623 VanDerWaalsContact O-CD2 3.26Å; H566-F623 WeakPolarHBondContact O-CD2 3.49Å |
| 567 | G | 84.2 | Confident | 81.6 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 11% | 0.113 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -95.2 | 3.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S564 G620 | S564-G567 PolarHBondContact O-N 3.35Å; G567-G620 WeakPolarHBondContact O-CA 3.42Å |
| 568 | Q | 89.6 | Confident | 82.3 | Confident | 55 Ų | 55 | 58 Ų | 58 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -88.6 | -4.9 | -170.5 | -61.3 | -168.4 | 1.8 | 0 | 0 | 114.7 | R556 S557 | R556-Q568 CarbonylContact C-O 3.54Å; R556-Q568 WeakPolarHBondContact CA-O 3.44Å; S557-Q568 PolarHBondContact N-O 2.76Å |
| 569 | H | 94.6 | Very high | 83.7 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 147.8 | -172.8 | -62.2 | 81.1 | 0 | 0 | 0 | 111.7 | M520 M554 C555 G620 R621 G622 F623 | M520-H569 PolarHBondContact O-NE2 2.97Å; M554-H569 HydrophobicContact CE-CB 3.44Å; M554-H569 VanDerWaalsContact CE-CB 3.44Å; M554-H569 HydrophobicContact CG-CB 4.46Å; C555-H569 CarbonylContact O-C 3.58Å; C555-H569 VanDerWaalsContact O-CA 3.23Å; C555-H569 WeakPolarHBondContact O-CA 3.34Å; H569-G620 CarbonylContact O-C 3.5Å; H569-G620 WeakPolarHBondContact O-CA 3.41Å; H569-R621 PolarHBondContact O-N 3.32Å; H569-G622 VanDerWaalsContact O-CA 3.31Å; H569-G622 WeakPolarHBondContact O-CA 3.38Å; H569-G622 PolarHBondContact O-N 3.27Å; H569-F623 HydrophobicContact CB-CD2 4.26Å; H569-F623 HydrophobicContact CB-CE2 4.33Å; H569-F623 AromaticContact CG-CE2 3.99Å; H569-F623 AromaticContact ND1-CD2 3.98Å; H569-F623 AromaticContact ND1-CE2 3.3Å; H569-F623 VanDerWaalsContact ND1-CE2 3.3Å; H569-F623 WeakPolarHBondContact ND1-CE2 3.36Å |
| 570 | S | 95.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 158.5 | -179.1 | -56.3 | 0 | 0 | 0 | 0 | 110.2 | M554 C555 S557 E619 G620 | M554-S570 WeakPolarHBondContact CA-O 3.03Å; C555-S570 PolarHBondContact N-O 2.83Å; C555-S570 PolarHBondContact O-N 3.4Å; S557-S570 PolarHBondContact OG-OG 2.75Å; S570-E619 WeakPolarHBondContact OG-CA 3.4Å; S570-G620 PolarHBondContact OG-N 3Å |
| 571 | M | 97.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.4 | 171.1 | -72.7 | -166.5 | -179.8 | 0 | 0 | 110.6 | F505 I552 V553 M554 I616 I625 A626 | F505-M571 HydrophobicContact CE2-CE 3.71Å; F505-M571 HydrophobicContact CE2-SD 4.07Å; F505-M571 HydrophobicContact CZ-CE 3.69Å; I552-M571 HydrophobicContact CG2-CB 4.3Å; I552-M571 HydrophobicContact CG2-CG 4.42Å; I552-M571 HydrophobicContact CG2-SD 3.91Å; V553-M571 WeakPolarHBondContact O-CA 3.45Å; M554-M571 HydrophobicContact SD-CE 4.01Å; M571-I616 HydrophobicContact CB-CB 4.38Å; M571-I616 HydrophobicContact CB-CD1 4.2Å; M571-I616 PolarHBondContact O-N 2.94Å; M571-I625 HydrophobicContact CB-CD1 4Å; M571-I625 HydrophobicContact CE-CB 4.25Å; M571-I625 HydrophobicContact CE-CG2 4.19Å; M571-I625 HydrophobicContact CG-CB 4.46Å; M571-I625 HydrophobicContact CG-CD1 4.33Å; M571-I625 HydrophobicContact CG-CG2 4.5Å; M571-I625 HydrophobicContact SD-CB 3.71Å; M571-I625 HydrophobicContact SD-CD1 4.44Å; M571-I625 HydrophobicContact SD-CG2 3.31Å; M571-I625 WeakPolarHBondContact SD-CG2 3.28Å; M571-A626 HydrophobicContact CE-CB 3.55Å |
| 572 | V | 98.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 138.4 | -174.9 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | L524 I533 V553 V610 N614 M615 | L524-V572 HydrophobicContact CD1-CG2 3.93Å; L524-V572 HydrophobicContact CD2-CG2 3.82Å; I533-V572 HydrophobicContact CD1-CG1 4.26Å; V553-V572 PolarHBondContact N-O 3.27Å; V553-V572 PolarHBondContact O-N 3.5Å; V572-V610 HydrophobicContact CG1-CG2 3.77Å; V572-N614 HydrophobicContact CG1-CB 4.02Å; V572-M615 HydrophobicContact CG2-CE 3.97Å; V572-M615 HydrophobicContact CG2-SD 4.07Å |
| 573 | L | 98.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 128.6 | 171.6 | -69.1 | 161.4 | 0 | 0 | 0 | 110.1 | L480 Q488 V550 A551 I552 N614 I616 | L480-L573 HydrophobicContact CD2-CD1 3.94Å; L480-L573 HydrophobicContact CD2-CD2 4.07Å; Q488-L573 HydrophobicContact CB-CD1 4.11Å; Q488-L573 HydrophobicContact CG-CD1 3.83Å; V550-L573 HydrophobicContact CG2-CB 4.44Å; V550-L573 HydrophobicContact CG2-CD2 3.87Å; A551-L573 WeakPolarHBondContact O-CA 3.43Å; I552-L573 HydrophobicContact CD1-CD2 4.4Å; I552-L573 HydrophobicContact CG1-CD2 3.69Å; L573-N614 HydrophobicContact CB-CB 4.25Å; L573-N614 PolarHBondContact N-O 2.84Å; L573-N614 WeakPolarHBondContact O-CB 3.24Å; L573-N614 PolarHBondContact O-ND2 3.19Å; L573-I616 HydrophobicContact CD1-CG1 4.24Å; L573-I616 HydrophobicContact CD2-CD1 4.17Å; L573-I616 HydrophobicContact CG-CD1 3.94Å; L573-I616 HydrophobicContact CG-CG1 3.97Å |
| 574 | V | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 110.3 | 178.8 | -176.4 | 0 | 0 | 0 | 0 | 109 | I533 A551 V553 M576 V581 F605 V608 V610 | I533-V574 HydrophobicContact CD1-CG2 3.46Å; I533-V574 VanDerWaalsContact CD1-CG2 3.46Å; A551-V574 HydrophobicContact CB-CB 4.48Å; A551-V574 PolarHBondContact N-O 2.86Å; A551-V574 PolarHBondContact O-N 3.28Å; V553-V574 HydrophobicContact CB-CG2 4.27Å; V553-V574 HydrophobicContact CG2-CB 3.94Å; V553-V574 HydrophobicContact CG2-CG2 3.55Å; V574-M576 PolarHBondContact O-N 3.24Å; V574-V581 HydrophobicContact CG1-CG2 3.76Å; V574-F605 HydrophobicContact CB-CE1 4.38Å; V574-F605 HydrophobicContact CG1-CD1 4.38Å; V574-F605 HydrophobicContact CG1-CE1 4.01Å; V574-V608 HydrophobicContact CG1-CG1 3.76Å; V574-V610 HydrophobicContact CG1-CG1 4.38Å; V574-V610 HydrophobicContact CG2-CG1 4.4Å |
| 575 | P | 98.8 | Very high | 94.7 | Very high | 17 Ų | 17 | 49.7 Ų | 49.7 | 11% | 0.11 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 134.7 | 169.1 | -21.7 | 31.4 | 0 | 0 | 0 | 110.6 | W492 K549 D577 T578 | W492-P575 HydrophobicContact CH2-CB 4.08Å; W492-P575 HydrophobicContact CH2-CG 3.87Å; W492-P575 HydrophobicContact CZ2-CG 3.85Å; K549-P575 WeakPolarHBondContact O-CA 3.4Å; P575-D577 WeakPolarHBondContact CB-OD1 3.21Å; P575-D577 PolarHBondContact O-N 3.13Å; P575-T578 WeakPolarHBondContact CB-OG1 3.22Å; P575-T578 WeakPolarHBondContact CD-OG1 3.43Å; P575-T578 VanDerWaalsContact O-CB 3.3Å; P575-T578 WeakPolarHBondContact O-CB 3.16Å; P575-T578 PolarHBondContact O-N 2.98Å; P575-T578 PolarHBondContact O-OG1 3.03Å |
| 576 | M | 98.3 | Very high | 95.9 | Very high | 25 Ų | 25 | 45.1 Ų | 45.1 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -19.3 | -173.8 | -69 | -61.7 | -65.1 | 0 | 0 | 113.4 | A543 C548 K549 A551 V574 V581 L583 | A543-M576 HydrophobicContact CB-CE 4.4Å; C548-M576 WeakPolarHBondContact O-CG 3.43Å; K549-M576 PolarHBondContact O-N 3.25Å; A551-M576 HydrophobicContact CB-SD 3.77Å; V574-M576 PolarHBondContact O-N 3.24Å; M576-V581 HydrophobicContact CE-CG1 4.34Å; M576-L583 HydrophobicContact CE-CD1 3.68Å |
| 577 | D | 97.9 | Very high | 96.9 | Very high | 141 Ų | 141 | 40.3 Ų | 40.3 | 75% | 0.754 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 2 | 176 | 62.7 | -18 | 0 | 0 | 0 | 113.6 | P575 | P575-D577 WeakPolarHBondContact CB-OD1 3.21Å; P575-D577 PolarHBondContact O-N 3.13Å |
| 578 | T | 98.7 | Very high | 97.5 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 12% | 0.117 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -63.1 | 129.8 | 177.8 | -51.5 | 0 | 0 | 0 | 0 | 109.9 | P575 G580 V581 V608 V610 | P575-T578 WeakPolarHBondContact CB-OG1 3.22Å; P575-T578 WeakPolarHBondContact CD-OG1 3.43Å; P575-T578 VanDerWaalsContact O-CB 3.3Å; P575-T578 WeakPolarHBondContact O-CB 3.16Å; P575-T578 PolarHBondContact O-N 2.98Å; P575-T578 PolarHBondContact O-OG1 3.03Å; T578-G580 PolarHBondContact O-N 3.26Å; T578-V581 WeakPolarHBondContact O-CB 3.45Å; T578-V581 WeakPolarHBondContact O-CG2 3.44Å; T578-V581 PolarHBondContact O-N 3.13Å; T578-V581 VanDerWaalsContact O-N 3.08Å; T578-V608 HydrophobicContact CG2-CG1 3.73Å; T578-V610 HydrophobicContact CG2-CG1 4.34Å |
| 579 | P | 98.7 | Very high | 97.8 | Very high | 110 Ų | 110 | 42.2 Ų | 42.2 | 71% | 0.714 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 130.9 | 176.9 | -28.5 | 35.4 | 0 | 0 | 0 | 112.2 | ||
| 580 | G | 98.3 | Very high | 97.9 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | -11.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | T578 E606 V608 | T578-G580 PolarHBondContact O-N 3.26Å; G580-E606 WeakPolarHBondContact CA-O 3.49Å; G580-E606 PolarHBondContact O-N 3.16Å; G580-V608 WeakPolarHBondContact O-CG2 3.39Å |
| 581 | V | 98.8 | Very high | 97.8 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 120.1 | 168.9 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | V574 M576 T578 V603 F605 V608 | V574-V581 HydrophobicContact CG1-CG2 3.76Å; M576-V581 HydrophobicContact CE-CG1 4.34Å; T578-V581 WeakPolarHBondContact O-CB 3.45Å; T578-V581 WeakPolarHBondContact O-CG2 3.44Å; T578-V581 PolarHBondContact O-N 3.13Å; T578-V581 VanDerWaalsContact O-N 3.08Å; V581-V603 HydrophobicContact CG1-CG1 4.05Å; V581-F605 HydrophobicContact CG1-CE1 4.47Å; V581-F605 HydrophobicContact CG2-CD1 4.1Å; V581-F605 HydrophobicContact CG2-CE1 4.16Å; V581-V608 HydrophobicContact CG2-CG1 3.94Å; V581-V608 HydrophobicContact CG2-CG2 3.74Å |
| 582 | K | 98.5 | Very high | 97.6 | Very high | 89 Ų | 89 | 55.3 Ų | 55.3 | 39% | 0.387 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 119.1 | -178.1 | -60.8 | -176.6 | -172.2 | 171.3 | 0 | 111 | I584 V603 H604 E606 | K582-I584 HydrophobicContact CB-CD1 3.87Å; K582-I584 PolarHBondContact O-N 3.48Å; K582-V603 CarbonylContact O-C 3.53Å; K582-V603 WeakPolarHBondContact O-CA 3.34Å; K582-H604 HydrophobicContact CB-CB 4.47Å; K582-H604 PolarHBondContact N-O 3.41Å; K582-H604 PolarHBondContact O-N 2.99Å; K582-E606 WeakPolarHBondContact CD-OE1 3.4Å; K582-E606 WeakPolarHBondContact CE-OE1 3.35Å; K582-E606 WeakPolarHBondContact CE-OE2 3.24Å; K582-E606 IonicContact NZ-OE1 3.99Å; K582-E606 PolarHBondContact NZ-OE1 3.37Å; K582-E606 IonicContact NZ-OE2 2.79Å; K582-E606 PolarHBondContact NZ-OE2 3.2Å |
| 583 | L | 97.5 | Very high | 97.3 | Very high | 76 Ų | 76 | 56.7 Ų | 56.7 | 40% | 0.398 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 117.3 | 165.9 | -79.1 | 73.1 | 0 | 0 | 0 | 108.4 | A543 M576 F601 | A543-L583 WeakPolarHBondContact O-CD2 3.41Å; M576-L583 HydrophobicContact CE-CD1 3.68Å; L583-F601 HydrophobicContact CB-CD1 4.41Å; L583-F601 HydrophobicContact CD2-CD1 4.11Å; L583-F601 HydrophobicContact CD2-CE1 4.4Å; L583-F601 HydrophobicContact CD2-CG 4.46Å |
| 584 | I | 98.5 | Very high | 97.2 | Very high | 76 Ų | 76 | 58.5 Ų | 58.5 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -53.9 | -172.3 | -57.4 | -55.6 | 0 | 0 | 0 | 111.3 | K582 E602 H604 | K582-I584 HydrophobicContact CB-CD1 3.87Å; K582-I584 PolarHBondContact O-N 3.48Å; I584-E602 HydrophobicContact CB-CB 4.26Å; I584-E602 HydrophobicContact CB-CG 4.29Å; I584-E602 HydrophobicContact CG1-CG 4.49Å; I584-E602 PolarHBondContact N-O 2.93Å; I584-H604 HydrophobicContact CD1-CB 4.17Å; I584-H604 HydrophobicContact CG1-CB 4.2Å |
| 585 | R | 97.6 | Very high | 96.9 | Very high | 118 Ų | 118 | 58.8 Ų | 58.8 | 45% | 0.445 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 153.5 | -178.2 | 64.4 | -174 | 180 | 97.7 | 5.6 | 112 | L587 F601 E602 | R585-L587 VanDerWaalsContact CZ-CD2 3.45Å; R585-F601 WeakPolarHBondContact O-CA 3.45Å; R585-F601 WeakPolarHBondContact O-CD1 3.34Å; R585-E602 HydrophobicContact CG-CB 4.18Å; R585-E602 IonicContact CZ-OE2 2.79Å; R585-E602 IonicContact NE-OE2 2.61Å; R585-E602 PolarHBondContact NE-OE2 3.15Å; R585-E602 IonicContact NH2-OE2 3.36Å; R585-E602 PolarHBondContact NH2-OE2 2.95Å; R585-E602 PolarHBondContact O-N 2.84Å |
| 586 | P | 97.3 | Very high | 96.7 | Very high | 57 Ų | 57 | 58.9 Ų | 58.9 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 158.5 | 165.3 | 31.9 | -34.7 | 0 | 0 | 0 | 111.4 | W416 H600 F601 | W416-P586 HydrophobicContact CH2-CB 3.67Å; W416-P586 HydrophobicContact CH2-CG 4.27Å; W416-P586 HydrophobicContact CZ2-CB 3.93Å; W416-P586 HydrophobicContact CZ2-CG 4.1Å; P586-H600 CarbonylContact C-O 3.43Å; P586-H600 WeakPolarHBondContact CA-O 3.48Å; P586-F601 HydrophobicContact CB-CD1 4.43Å; P586-F601 HydrophobicContact CB-CE1 3.94Å; P586-F601 HydrophobicContact CB-CE2 4.22Å; P586-F601 HydrophobicContact CB-CZ 3.83Å; P586-F601 HydrophobicContact CG-CE1 4.43Å |
| 587 | L | 98.1 | Very high | 96.6 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 141.8 | 175.9 | -56.1 | 173.8 | 0 | 0 | 0 | 109.2 | W538 W539 R585 H600 | W538-L587 HydrophobicContact CB-CD1 4.24Å; W538-L587 HydrophobicContact CD2-CD1 4.42Å; W538-L587 HydrophobicContact CE3-CD1 3.79Å; W538-L587 HydrophobicContact CE3-CD2 4.31Å; W539-L587 HydrophobicContact CD2-CD1 3.6Å; W539-L587 HydrophobicContact CE3-CB 4.32Å; W539-L587 HydrophobicContact CE3-CD1 3.88Å; W539-L587 HydrophobicContact CG-CD1 3.96Å; W539-L587 HydrophobicContact CH2-CB 4.02Å; W539-L587 HydrophobicContact CH2-CD1 4.38Å; W539-L587 HydrophobicContact CZ2-CB 4.47Å; W539-L587 HydrophobicContact CZ2-CD1 4.14Å; W539-L587 HydrophobicContact CZ3-CB 3.94Å; W539-L587 HydrophobicContact CZ3-CD1 4.25Å; R585-L587 VanDerWaalsContact CZ-CD2 3.45Å; L587-H600 HydrophobicContact CB-CB 4.26Å; L587-H600 PolarHBondContact N-O 3.35Å |
| 588 | T | 97.4 | Very high | 96.5 | Very high | 85 Ų | 85 | 52.7 Ų | 52.7 | 52% | 0.521 | 29% | 0.293 | S | S | . | . | trans | -108.6 | 144.5 | 179.2 | 59.7 | 0 | 0 | 0 | 0 | 111.9 | H592 D593 | T588-H592 CarbonylContact C-O 3.59Å; T588-H592 WeakPolarHBondContact CA-O 3.42Å; T588-D593 HydrophobicContact CG2-CB 4.27Å | ||
| 589 | V | 96.6 | Very high | 96.3 | Very high | 21 Ų | 21 | 51.9 Ų | 51.9 | 13% | 0.127 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -112.8 | 113.1 | 168.9 | -172.1 | 0 | 0 | 0 | 0 | 108.3 | W539 G591 H592 S747 T751 | W539-V589 HydrophobicContact CH2-CG2 3.99Å; W539-V589 HydrophobicContact CZ3-CG2 3.76Å; V589-G591 PolarHBondContact O-N 3.1Å; V589-H592 PolarHBondContact N-O 3.28Å; V589-H592 WeakPolarHBondContact O-CB 3.32Å; V589-H592 PolarHBondContact O-N 3.2Å; V589-S747 WeakPolarHBondContact CB-OG 3.21Å; V589-S747 WeakPolarHBondContact CG1-OG 3.35Å; V589-S747 PolarHBondContact O-OG 2.72Å; V589-S747 VanDerWaalsContact O-OG 3.11Å; V589-T751 WeakPolarHBondContact CG1-OG1 3.4Å |
| 590 | F | 96.2 | Very high | 96.3 | Very high | 134 Ų | 134 | 47.6 Ų | 47.6 | 59% | 0.588 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 36.6 | -172.3 | -56.7 | -71.8 | 0 | 0 | 0 | 113.5 | H592 R750 | F590-H592 VanDerWaalsContact C-N 3.27Å; F590-H592 PolarHBondContact O-N 3.42Å; F590-R750 HydrophobicContact CE2-CB 3.93Å; F590-R750 HydrophobicContact CE2-CG 3.77Å; F590-R750 HydrophobicContact CZ-CB 4.45Å; F590-R750 HydrophobicContact CZ-CG 3.86Å |
| 591 | G | 94 | Very high | 96.3 | Very high | 63 Ų | 63 | 47.2 Ų | 47.2 | 65% | 0.649 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | V589 | V589-G591 PolarHBondContact O-N 3.1Š|
| 592 | H | 91.9 | Very high | 96.3 | Very high | 80 Ų | 80 | 47.3 Ų | 47.3 | 37% | 0.37 | 25% | 0.25 | S | S | . | . | B | Isolated β-bridge | trans | -90.1 | 135.3 | 172.7 | -59.8 | -76.1 | 0 | 0 | 0 | 110.9 | T588 V589 F590 | T588-H592 CarbonylContact C-O 3.59Å; T588-H592 WeakPolarHBondContact CA-O 3.42Å; V589-H592 PolarHBondContact N-O 3.28Å; V589-H592 WeakPolarHBondContact O-CB 3.32Å; V589-H592 PolarHBondContact O-N 3.2Å; F590-H592 VanDerWaalsContact C-N 3.27Å; F590-H592 PolarHBondContact O-N 3.42Å |
| 593 | D | 93.4 | Very high | 96.3 | Very high | 28 Ų | 28 | 43.1 Ų | 43.1 | 15% | 0.15 | 23% | 0.232 | C | C | . | . | trans | -100.8 | 2.2 | -177.7 | 61.1 | 0.6 | 0 | 0 | 0 | 114.5 | R415 W416 T588 A595 G599 | R415-D593 IonicContact CZ-OD1 3.84Å; R415-D593 IonicContact CZ-OD2 3.69Å; R415-D593 IonicContact NE-OD1 2.81Å; R415-D593 IonicContact NE-OD2 3.7Å; R415-D593 PolarHBondContact NE-OD2 3.49Å; R415-D593 IonicContact NH2-OD1 2.8Å; R415-D593 PolarHBondContact NH2-OD1 2.95Å; R415-D593 IonicContact NH2-OD2 2.64Å; R415-D593 PolarHBondContact NH2-OD2 3.02Å; W416-D593 HydrophobicContact CH2-CB 4.07Å; W416-D593 HydrophobicContact CZ3-CB 4.49Å; T588-D593 HydrophobicContact CG2-CB 4.27Å; D593-A595 PolarHBondContact O-N 2.79Å; D593-A595 PolarHBondContact OD1-N 3.41Å; D593-G599 WeakPolarHBondContact O-CA 3.49Å | ||
| 594 | D | 94.8 | Very high | 96.4 | Very high | 40 Ų | 40 | 41 Ų | 41 | 21% | 0.214 | 22% | 0.22 | C | C | . | . | trans | 54 | 37.3 | 178.4 | -157.2 | 34.1 | 0 | 0 | 0 | 114 | I596 H597 G599 H600 | D594-I596 PolarHBondContact O-N 3.3Å; D594-H597 PolarHBondContact O-N 3.13Å; D594-H597 IonicContact OD1-CE1 2.78Å; D594-H597 IonicContact OD1-CG 3Å; D594-H597 IonicContact OD1-ND1 3.39Å; D594-H597 PolarHBondContact OD1-ND1 3.22Å; D594-H597 IonicContact OD2-CG 3.66Å; D594-H597 IonicContact OD2-ND1 2.78Å; D594-H597 PolarHBondContact OD2-ND1 3.05Å; D594-G599 WeakPolarHBondContact O-CA 3.36Å; D594-G599 PolarHBondContact O-N 2.91Å; D594-H600 IonicContact OD2-CE1 3.54Å; D594-H600 IonicContact OD2-NE2 2.68Å | ||
| 595 | A | 94.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -50.4 | -33.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y406 R415 W416 D593 H597 G598 | Y406-A595 HydrophobicContact CD1-CB 3.97Å; Y406-A595 HydrophobicContact CE1-CB 4.27Å; R415-A595 HydrophobicContact CG-CB 3.72Å; R415-A595 WeakPolarHBondContact O-CB 3.27Å; W416-A595 HydrophobicContact CE3-CB 4.24Å; W416-A595 HydrophobicContact CZ3-CB 4.13Å; D593-A595 PolarHBondContact O-N 2.79Å; D593-A595 PolarHBondContact OD1-N 3.41Å; A595-H597 PolarHBondContact O-N 3Å; A595-G598 PolarHBondContact O-N 2.86Å |
| 596 | I | 94.1 | Very high | 96.5 | Very high | 20 Ų | 20 | 35.9 Ų | 35.9 | 10% | 0.103 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -59.2 | -26.2 | 178.1 | -169.1 | 165.3 | 0 | 0 | 0 | 114.5 | V402 Y406 F462 D594 | V402-I596 HydrophobicContact CG1-CD1 3.69Å; V402-I596 HydrophobicContact CG1-CG1 4.5Å; Y406-I596 HydrophobicContact CD2-CB 4.24Å; Y406-I596 HydrophobicContact CD2-CD1 4.48Å; Y406-I596 HydrophobicContact CD2-CG1 4.38Å; Y406-I596 HydrophobicContact CE2-CB 3.71Å; Y406-I596 HydrophobicContact CE2-CD1 3.98Å; Y406-I596 HydrophobicContact CE2-CG1 3.57Å; Y406-I596 VanDerWaalsContact CZ-CA 3.44Å; Y406-I596 WeakPolarHBondContact OH-CA 3.46Å; F462-I596 HydrophobicContact CB-CD1 3.77Å; F462-I596 HydrophobicContact CB-CG1 4.16Å; F462-I596 HydrophobicContact CD1-CD1 3.84Å; F462-I596 HydrophobicContact CG-CD1 4.23Å; D594-I596 PolarHBondContact O-N 3.3Å |
| 597 | H | 95.4 | Very high | 96.5 | Very high | 33 Ų | 33 | 38.6 Ų | 38.6 | 15% | 0.153 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -107.3 | 13 | 176.9 | -54 | 116.8 | 0 | 0 | 0 | 112.5 | L461 G542 D594 A595 G599 | L461-H597 PolarHBondContact O-NE2 2.91Å; L461-H597 VanDerWaalsContact O-NE2 3.1Å; G542-H597 WeakPolarHBondContact CA-O 3.36Å; D594-H597 PolarHBondContact O-N 3.13Å; D594-H597 IonicContact OD1-CE1 2.78Å; D594-H597 IonicContact OD1-CG 3Å; D594-H597 IonicContact OD1-ND1 3.39Å; D594-H597 PolarHBondContact OD1-ND1 3.22Å; D594-H597 IonicContact OD2-CG 3.66Å; D594-H597 IonicContact OD2-ND1 2.78Å; D594-H597 PolarHBondContact OD2-ND1 3.05Å; A595-H597 PolarHBondContact O-N 3Å; H597-G599 VanDerWaalsContact C-N 3.33Å |
| 598 | G | 95.1 | Very high | 96.5 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 14.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G544 A595 F601 | G544-G598 WeakPolarHBondContact CA-O 3.36Å; G544-G598 PolarHBondContact N-O 3.19Å; A595-G598 PolarHBondContact O-N 2.86Å; G598-F601 WeakPolarHBondContact O-CE2 3.45Å |
| 599 | G | 96.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | trans | 65.2 | -172.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | S541 G542 D593 D594 H597 | S541-G599 CarbonylContact C-O 3.55Å; S541-G599 WeakPolarHBondContact CA-O 3.33Å; G542-G599 PolarHBondContact N-O 3.01Å; D593-G599 WeakPolarHBondContact O-CA 3.49Å; D594-G599 WeakPolarHBondContact O-CA 3.36Å; D594-G599 PolarHBondContact O-N 2.91Å; H597-G599 VanDerWaalsContact C-N 3.33Å | ||
| 600 | H | 98.3 | Very high | 96.6 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 10% | 0.097 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 126 | 175.6 | -51.6 | -69.3 | 0 | 0 | 0 | 109.5 | W539 S541 P586 L587 D594 | W539-H600 HydrophobicContact CE3-CB 3.79Å; W539-H600 AromaticContact CE3-CG 3.97Å; W539-H600 HydrophobicContact CZ3-CB 4.16Å; S541-H600 PolarHBondContact OG-CE1 2.88Å; S541-H600 PolarHBondContact OG-ND1 3.42Å; P586-H600 CarbonylContact C-O 3.43Å; P586-H600 WeakPolarHBondContact CA-O 3.48Å; L587-H600 HydrophobicContact CB-CB 4.26Å; L587-H600 PolarHBondContact N-O 3.35Å; D594-H600 IonicContact OD2-CE1 3.54Å; D594-H600 IonicContact OD2-NE2 2.68Å |
| 601 | F | 98.6 | Very high | 96.7 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 150.4 | -173.3 | -76.7 | -105 | 0 | 0 | 0 | 113.5 | W416 W538 W539 S540 A543 L583 R585 P586 G598 V603 | W416-F601 HydrophobicContact CD2-CE2 4.33Å; W416-F601 HydrophobicContact CD2-CZ 4.03Å; W416-F601 AromaticContact CE2-CZ 3.79Å; W416-F601 HydrophobicContact CE3-CE2 4.09Å; W416-F601 HydrophobicContact CE3-CZ 4.21Å; W416-F601 HydrophobicContact CH2-CE2 4.16Å; W416-F601 AromaticContact CH2-CZ 3.96Å; W416-F601 HydrophobicContact CH2-CZ 3.96Å; W416-F601 HydrophobicContact CZ2-CE2 4.39Å; W416-F601 AromaticContact CZ2-CZ 3.75Å; W416-F601 HydrophobicContact CZ2-CZ 3.75Å; W416-F601 HydrophobicContact CZ3-CE2 4.01Å; W416-F601 HydrophobicContact CZ3-CZ 4.18Å; W538-F601 WeakPolarHBondContact CA-O 3.45Å; W539-F601 PolarHBondContact N-O 2.97Å; S540-F601 PolarHBondContact N-O 2.89Å; S540-F601 VanDerWaalsContact N-O 3.1Å; S540-F601 PolarHBondContact O-N 3.45Å; A543-F601 HydrophobicContact CB-CB 4.12Å; A543-F601 HydrophobicContact CB-CD2 4.43Å; A543-F601 HydrophobicContact CB-CG 4.48Å; L583-F601 HydrophobicContact CB-CD1 4.41Å; L583-F601 HydrophobicContact CD2-CD1 4.11Å; L583-F601 HydrophobicContact CD2-CE1 4.4Å; L583-F601 HydrophobicContact CD2-CG 4.46Å; R585-F601 WeakPolarHBondContact O-CA 3.45Å; R585-F601 WeakPolarHBondContact O-CD1 3.34Å; P586-F601 HydrophobicContact CB-CD1 4.43Å; P586-F601 HydrophobicContact CB-CE1 3.94Å; P586-F601 HydrophobicContact CB-CE2 4.22Å; P586-F601 HydrophobicContact CB-CZ 3.83Å; P586-F601 HydrophobicContact CG-CE1 4.43Å; G598-F601 WeakPolarHBondContact O-CE2 3.45Å; F601-V603 HydrophobicContact CB-CG2 4.2Å |
| 602 | E | 98.8 | Very high | 96.8 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 10% | 0.103 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127 | 156.4 | -172.6 | 174.9 | 161.4 | 0 | 0 | 109.2 | K537 W538 I584 R585 H604 | K537-E602 CarbonylContact O-C 3.05Å; K537-E602 WeakPolarHBondContact O-CA 3.5Å; W538-E602 HydrophobicContact CB-CB 4.23Å; W538-E602 HydrophobicContact CB-CG 4.21Å; I584-E602 HydrophobicContact CB-CB 4.26Å; I584-E602 HydrophobicContact CB-CG 4.29Å; I584-E602 HydrophobicContact CG1-CG 4.49Å; I584-E602 PolarHBondContact N-O 2.93Å; R585-E602 HydrophobicContact CG-CB 4.18Å; R585-E602 IonicContact CZ-OE2 2.79Å; R585-E602 IonicContact NE-OE2 2.61Å; R585-E602 PolarHBondContact NE-OE2 3.15Å; R585-E602 IonicContact NH2-OE2 3.36Å; R585-E602 PolarHBondContact NH2-OE2 2.95Å; R585-E602 PolarHBondContact O-N 2.84Å; E602-H604 IonicContact OE1-CD2 2.71Å; E602-H604 IonicContact OE1-CE1 2.7Å; E602-H604 IonicContact OE1-NE2 3.36Å; E602-H604 PolarHBondContact OE1-NE2 3.37Å |
| 603 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 122.6 | -176.1 | -173.1 | 0 | 0 | 0 | 0 | 109 | K537 A543 V581 K582 F601 F605 | K537-V603 PolarHBondContact N-O 3.34Å; K537-V603 PolarHBondContact O-N 2.91Å; K537-V603 VanDerWaalsContact O-O 3.11Å; A543-V603 HydrophobicContact CB-CG2 4.38Å; V581-V603 HydrophobicContact CG1-CG1 4.05Å; K582-V603 CarbonylContact O-C 3.53Å; K582-V603 WeakPolarHBondContact O-CA 3.34Å; F601-V603 HydrophobicContact CB-CG2 4.2Å; V603-F605 HydrophobicContact CB-CE2 4.34Å; V603-F605 HydrophobicContact CG1-CE2 3.92Å; V603-F605 HydrophobicContact CG1-CZ 3.91Å |
| 604 | H | 98.8 | Very high | 97.3 | Very high | 32 Ų | 32 | 33.8 Ų | 33.8 | 15% | 0.148 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 140.3 | 175.2 | -67.2 | -175.2 | 0 | 0 | 0 | 110 | K582 I584 E602 | K582-H604 HydrophobicContact CB-CB 4.47Å; K582-H604 PolarHBondContact N-O 3.41Å; K582-H604 PolarHBondContact O-N 2.99Å; I584-H604 HydrophobicContact CD1-CB 4.17Å; I584-H604 HydrophobicContact CG1-CB 4.2Å; E602-H604 IonicContact OE1-CD2 2.71Å; E602-H604 IonicContact OE1-CE1 2.7Å; E602-H604 IonicContact OE1-NE2 3.36Å; E602-H604 PolarHBondContact OE1-NE2 3.37Å |
| 605 | F | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 107.4 | 173.2 | -60.7 | -93.3 | 0 | 0 | 0 | 106.9 | C506 I533 N534 G535 K537 V553 V574 V581 V603 V608 | C506-F605 HydrophobicContact CB-CE2 4.35Å; C506-F605 HydrophobicContact CB-CZ 4.27Å; I533-F605 HydrophobicContact CG2-CB 3.84Å; I533-F605 HydrophobicContact CG2-CD1 4.35Å; I533-F605 HydrophobicContact CG2-CG 4.11Å; N534-F605 CarbonylContact C-O 3.52Å; N534-F605 VanDerWaalsContact CA-O 3.27Å; N534-F605 WeakPolarHBondContact CA-O 3.39Å; G535-F605 PolarHBondContact N-O 3.37Å; G535-F605 PolarHBondContact O-N 2.99Å; K537-F605 HydrophobicContact CB-CE2 4.1Å; K537-F605 HydrophobicContact CG-CD2 4.21Å; K537-F605 HydrophobicContact CG-CE2 3.76Å; V553-F605 HydrophobicContact CG1-CE2 4.13Å; V553-F605 HydrophobicContact CG1-CZ 4.08Å; V553-F605 HydrophobicContact CG2-CE1 3.72Å; V553-F605 HydrophobicContact CG2-CE2 4.44Å; V553-F605 HydrophobicContact CG2-CZ 3.59Å; V574-F605 HydrophobicContact CB-CE1 4.38Å; V574-F605 HydrophobicContact CG1-CD1 4.38Å; V574-F605 HydrophobicContact CG1-CE1 4.01Å; V581-F605 HydrophobicContact CG1-CE1 4.47Å; V581-F605 HydrophobicContact CG2-CD1 4.1Å; V581-F605 HydrophobicContact CG2-CE1 4.16Å; V603-F605 HydrophobicContact CB-CE2 4.34Å; V603-F605 HydrophobicContact CG1-CE2 3.92Å; V603-F605 HydrophobicContact CG1-CZ 3.91Å; F605-V608 HydrophobicContact CB-CB 4.47Å; F605-V608 HydrophobicContact CB-CG2 3.98Å; F605-V608 HydrophobicContact CD1-CB 4.44Å; F605-V608 HydrophobicContact CD1-CG1 4.49Å; F605-V608 HydrophobicContact CD1-CG2 4.07Å |
| 606 | E | 98.3 | Very high | 97.6 | Very high | 84 Ų | 84 | 32.5 Ų | 32.5 | 39% | 0.393 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 103.6 | -179.6 | -68.7 | 178.2 | -147.4 | 0 | 0 | 110.2 | G580 K582 V608 | G580-E606 WeakPolarHBondContact CA-O 3.49Å; G580-E606 PolarHBondContact O-N 3.16Å; K582-E606 WeakPolarHBondContact CD-OE1 3.4Å; K582-E606 WeakPolarHBondContact CE-OE1 3.35Å; K582-E606 WeakPolarHBondContact CE-OE2 3.24Å; K582-E606 IonicContact NZ-OE1 3.99Å; K582-E606 PolarHBondContact NZ-OE1 3.37Å; K582-E606 IonicContact NZ-OE2 2.79Å; K582-E606 PolarHBondContact NZ-OE2 3.2Å; E606-V608 PolarHBondContact O-N 2.92Å |
| 607 | N | 97.9 | Very high | 97.7 | Very high | 114 Ų | 114 | 35.4 Ų | 35.4 | 61% | 0.61 | 19% | 0.187 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 52.3 | 35.6 | -177.5 | -60.5 | -52.9 | 0 | 0 | 0 | 113.7 | I533 N534 R609 | I533-N607 PolarHBondContact O-N 3.45Å; N534-N607 PolarHBondContact ND2-OD1 3.44Å; N534-N607 PolarHBondContact OD1-N 3.04Å; N534-N607 PolarHBondContact OD1-OD1 3.16Å; N607-R609 PolarHBondContact O-N 3.36Å |
| 608 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 117.7 | -179.2 | 172.8 | 0 | 0 | 0 | 0 | 108.8 | I532 I533 V574 T578 G580 V581 F605 E606 V610 | I532-V608 CarbonylContact C-O 3.44Å; I532-V608 WeakPolarHBondContact CA-O 3.42Å; I533-V608 HydrophobicContact CB-CB 4.26Å; I533-V608 PolarHBondContact N-O 2.85Å; I533-V608 PolarHBondContact O-N 2.8Å; I533-V608 VanDerWaalsContact O-N 3.11Å; V574-V608 HydrophobicContact CG1-CG1 3.76Å; T578-V608 HydrophobicContact CG2-CG1 3.73Å; G580-V608 WeakPolarHBondContact O-CG2 3.39Å; V581-V608 HydrophobicContact CG2-CG1 3.94Å; V581-V608 HydrophobicContact CG2-CG2 3.74Å; F605-V608 HydrophobicContact CB-CB 4.47Å; F605-V608 HydrophobicContact CB-CG2 3.98Å; F605-V608 HydrophobicContact CD1-CB 4.44Å; F605-V608 HydrophobicContact CD1-CG1 4.49Å; F605-V608 HydrophobicContact CD1-CG2 4.07Å; E606-V608 PolarHBondContact O-N 2.92Å; V608-V610 HydrophobicContact CG1-CG1 4.32Å |
| 609 | R | 98.5 | Very high | 97.5 | Very high | 123 Ų | 123 | 36.6 Ų | 36.6 | 46% | 0.464 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121.5 | -175.6 | -161.2 | -174.1 | -102.2 | -111.6 | 8.9 | 110.7 | D527 T530 Y531 I532 N607 | D527-R609 IonicContact OD2-CZ 3.02Å; D527-R609 IonicContact OD2-NH1 2.83Å; D527-R609 PolarHBondContact OD2-NH1 3.11Å; D527-R609 IonicContact OD2-NH2 2.9Å; D527-R609 PolarHBondContact OD2-NH2 2.83Å; T530-R609 HydrophobicContact CG2-CG 4.31Å; T530-R609 PolarHBondContact OG1-NH1 3.37Å; Y531-R609 CarbonylContact O-C 3.37Å; Y531-R609 VanDerWaalsContact O-CA 3.29Å; Y531-R609 WeakPolarHBondContact O-CA 3.28Å; I532-R609 HydrophobicContact CG1-CG 4.27Å; N607-R609 PolarHBondContact O-N 3.36Å |
| 610 | V | 98.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152.1 | 179.4 | -65 | 0 | 0 | 0 | 0 | 111.6 | T530 Y531 I533 V572 V574 T578 V608 N614 | T530-V610 CarbonylContact C-O 3.48Å; T530-V610 WeakPolarHBondContact CA-O 3.38Å; T530-V610 VanDerWaalsContact CB-O 3.27Å; T530-V610 WeakPolarHBondContact CB-O 3.5Å; Y531-V610 PolarHBondContact N-O 2.91Å; Y531-V610 PolarHBondContact O-N 3.47Å; I533-V610 HydrophobicContact CD1-CG2 4.2Å; V572-V610 HydrophobicContact CG1-CG2 3.77Å; V574-V610 HydrophobicContact CG1-CG1 4.38Å; V574-V610 HydrophobicContact CG2-CG1 4.4Å; T578-V610 HydrophobicContact CG2-CG1 4.34Å; V608-V610 HydrophobicContact CG1-CG1 4.32Å; V610-N614 HydrophobicContact CB-CB 4.29Å; V610-N614 HydrophobicContact CG2-CB 4.28Å |
| 611 | P | 98.1 | Very high | 97 | Very high | 64 Ų | 64 | 41.1 Ų | 41.1 | 42% | 0.416 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 149.8 | 174.6 | -24.2 | 34.7 | 0 | 0 | 0 | 112.6 | S613 N614 | P611-S613 PolarHBondContact O-N 3.46Å; P611-N614 WeakPolarHBondContact O-CB 3.29Å; P611-N614 PolarHBondContact O-N 2.91Å |
| 612 | A | 96.4 | Very high | 96.8 | Very high | 27 Ų | 27 | 40.4 Ų | 40.4 | 22% | 0.223 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -60.1 | -27.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T529 Y531 N614 M615 | T529-A612 VanDerWaalsContact O-CB 3.28Å; T529-A612 WeakPolarHBondContact O-CB 3.42Å; T529-A612 PolarHBondContact O-N 3.28Å; Y531-A612 HydrophobicContact CD2-CB 4.43Å; Y531-A612 HydrophobicContact CE2-CB 3.98Å; A612-N614 PolarHBondContact O-N 2.94Å; A612-M615 WeakPolarHBondContact O-CB 3.46Å; A612-M615 PolarHBondContact O-N 3.49Å |
| 613 | S | 97.3 | Very high | 96.3 | Very high | 85 Ų | 85 | 40.6 Ų | 40.6 | 59% | 0.594 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -67.9 | -6.5 | 174 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | Q488 P611 M615 | Q488-S613 PolarHBondContact NE2-O 2.95Å; P611-S613 PolarHBondContact O-N 3.46Å; S613-M615 VanDerWaalsContact C-N 3.29Å |
| 614 | N | 98.3 | Very high | 95.9 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 8% | 0.08 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -80.9 | -7.4 | 171.7 | -76.4 | 27.6 | 0 | 0 | 0 | 113.3 | V572 L573 V610 P611 A612 I616 | V572-N614 HydrophobicContact CG1-CB 4.02Å; L573-N614 HydrophobicContact CB-CB 4.25Å; L573-N614 PolarHBondContact N-O 2.84Å; L573-N614 WeakPolarHBondContact O-CB 3.24Å; L573-N614 PolarHBondContact O-ND2 3.19Å; V610-N614 HydrophobicContact CB-CB 4.29Å; V610-N614 HydrophobicContact CG2-CB 4.28Å; P611-N614 WeakPolarHBondContact O-CB 3.29Å; P611-N614 PolarHBondContact O-N 2.91Å; A612-N614 PolarHBondContact O-N 2.94Å; N614-I616 PolarHBondContact O-N 2.86Å |
| 615 | M | 97.5 | Very high | 95.6 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 9% | 0.094 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -63.2 | 131.2 | 172.8 | -179 | 64 | 68.2 | 0 | 0 | 110.5 | Q488 L524 Y531 V572 A612 S613 E619 | Q488-M615 PolarHBondContact NE2-O 3.33Å; L524-M615 HydrophobicContact CD2-CE 3.67Å; Y531-M615 HydrophobicContact CD2-CE 4.42Å; Y531-M615 HydrophobicContact CE1-CE 3.99Å; Y531-M615 HydrophobicContact CE2-CB 4.12Å; Y531-M615 HydrophobicContact CE2-CE 3.7Å; Y531-M615 VanDerWaalsContact CZ-CE 3.46Å; Y531-M615 WeakPolarHBondContact OH-CE 3.48Å; V572-M615 HydrophobicContact CG2-CE 3.97Å; V572-M615 HydrophobicContact CG2-SD 4.07Å; A612-M615 WeakPolarHBondContact O-CB 3.46Å; A612-M615 PolarHBondContact O-N 3.49Å; S613-M615 VanDerWaalsContact C-N 3.29Å; M615-E619 HydrophobicContact CE-CG 3.66Å |
| 616 | I | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -91.6 | 126.3 | 174.7 | -55.6 | 173.6 | 0 | 0 | 0 | 108.4 | V479 F483 I552 M571 L573 N614 G618 I625 | V479-I616 HydrophobicContact CG1-CD1 3.97Å; V479-I616 HydrophobicContact CG1-CG2 3.96Å; F483-I616 HydrophobicContact CB-CG2 3.77Å; I552-I616 HydrophobicContact CD1-CD1 4.19Å; I552-I616 HydrophobicContact CG1-CD1 4.05Å; I552-I616 HydrophobicContact CG2-CD1 4.02Å; M571-I616 HydrophobicContact CB-CB 4.38Å; M571-I616 HydrophobicContact CB-CD1 4.2Å; M571-I616 PolarHBondContact O-N 2.94Å; L573-I616 HydrophobicContact CD1-CG1 4.24Å; L573-I616 HydrophobicContact CD2-CD1 4.17Å; L573-I616 HydrophobicContact CG-CD1 3.94Å; L573-I616 HydrophobicContact CG-CG1 3.97Å; N614-I616 PolarHBondContact O-N 2.86Å; I616-G618 PolarHBondContact O-N 3.12Å; I616-I625 HydrophobicContact CB-CD1 4.16Å; I616-I625 HydrophobicContact CG2-CD1 3.91Å; I616-I625 WeakPolarHBondContact O-CD1 3.34Å |
| 617 | L | 96.3 | Very high | 94.4 | Very high | 80 Ų | 80 | 43.1 Ų | 43.1 | 42% | 0.419 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 62.1 | -55.3 | -178.4 | -170.8 | 58.8 | 0 | 0 | 0 | 115.7 | F483 R621 I625 | F483-L617 HydrophobicContact CB-CB 4.26Å; F483-L617 HydrophobicContact CD1-CD1 4.32Å; F483-L617 HydrophobicContact CD1-CD2 3.95Å; F483-L617 HydrophobicContact CE1-CD2 4.37Å; F483-L617 HydrophobicContact CG-CD2 4.49Å; L617-R621 HydrophobicContact CB-CB 4.46Å; L617-R621 HydrophobicContact CD2-CB 3.92Å; L617-R621 HydrophobicContact CD2-CG 4.26Å; L617-R621 HydrophobicContact CG-CB 4.25Å; L617-R621 HydrophobicContact CG-CG 4.27Å; L617-I625 HydrophobicContact CB-CD1 4.01Å; L617-I625 HydrophobicContact CB-CG1 4.45Å; L617-I625 HydrophobicContact CD2-CG1 4.16Å |
| 618 | G | 93.6 | Very high | 93.7 | Very high | 20 Ų | 20 | 42.7 Ų | 42.7 | 21% | 0.206 | 22% | 0.217 | C | C | . | . | trans | 163.2 | 164.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I616 R621 | I616-G618 PolarHBondContact O-N 3.12Å; G618-R621 WeakPolarHBondContact O-CB 3.38Å; G618-R621 WeakPolarHBondContact O-CG 3.31Å; G618-R621 PolarHBondContact O-N 2.85Å | ||
| 619 | E | 92.9 | Very high | 93.1 | Very high | 41 Ų | 41 | 43.4 Ų | 43.4 | 19% | 0.192 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 139 | 175.5 | -68.2 | -175.6 | -141.2 | 0 | 0 | 111.4 | R526 Y531 S559 H561 S570 M615 R621 | R526-E619 WeakPolarHBondContact CD-OE1 3.44Å; R526-E619 IonicContact CZ-OE1 3.77Å; R526-E619 IonicContact NE-OE1 3.99Å; R526-E619 IonicContact NH1-OE1 2.77Å; R526-E619 PolarHBondContact NH1-OE1 2.82Å; Y531-E619 WeakPolarHBondContact OH-CG 3.41Å; Y531-E619 PolarHBondContact OH-OE1 3.25Å; S559-E619 PolarHBondContact OG-OE2 2.81Å; H561-E619 IonicContact CD2-OE2 3.17Å; H561-E619 PolarHBondContact CD2-OE2 3.33Å; H561-E619 IonicContact NE2-OE2 3.53Å; S570-E619 WeakPolarHBondContact OG-CA 3.4Å; M615-E619 HydrophobicContact CE-CG 3.66Å; E619-R621 PolarHBondContact O-N 3.19Å |
| 620 | G | 91.3 | Very high | 92.2 | Very high | 12 Ų | 12 | 38.4 Ų | 38.4 | 12% | 0.124 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 1.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G567 H569 S570 | G567-G620 WeakPolarHBondContact O-CA 3.42Å; H569-G620 CarbonylContact O-C 3.5Å; H569-G620 WeakPolarHBondContact O-CA 3.41Å; S570-G620 PolarHBondContact OG-N 3Å |
| 621 | R | 92.6 | Very high | 91.3 | Very high | 105 Ų | 105 | 38.6 Ų | 38.6 | 40% | 0.396 | 20% | 0.204 | S | C | . | . | trans | -94.3 | 8.2 | -178.1 | -52.8 | -61.4 | -70.8 | -100.1 | -4.1 | 114.1 | H569 L617 G618 E619 F623 E624 I625 | H569-R621 PolarHBondContact O-N 3.32Å; L617-R621 HydrophobicContact CB-CB 4.46Å; L617-R621 HydrophobicContact CD2-CB 3.92Å; L617-R621 HydrophobicContact CD2-CG 4.26Å; L617-R621 HydrophobicContact CG-CB 4.25Å; L617-R621 HydrophobicContact CG-CG 4.27Å; G618-R621 WeakPolarHBondContact O-CB 3.38Å; G618-R621 WeakPolarHBondContact O-CG 3.31Å; G618-R621 PolarHBondContact O-N 2.85Å; E619-R621 PolarHBondContact O-N 3.19Å; R621-F623 PolarHBondContact O-N 2.96Å; R621-E624 IonicContact CZ-OE1 2.72Å; R621-E624 IonicContact CZ-OE2 3.11Å; R621-E624 IonicContact NE-OE2 2.79Å; R621-E624 PolarHBondContact NE-OE2 3.06Å; R621-E624 IonicContact NH2-OE1 3.09Å; R621-E624 PolarHBondContact NH2-OE1 3.12Å; R621-E624 IonicContact NH2-OE2 2.63Å; R621-E624 PolarHBondContact NH2-OE2 3.42Å; R621-E624 WeakPolarHBondContact O-CB 3.12Å; R621-E624 PolarHBondContact O-N 3.22Å; R621-I625 HydrophobicContact CB-CD1 4.47Å; R621-I625 WeakPolarHBondContact O-CG1 3.03Å; R621-I625 PolarHBondContact O-N 3.42Å; R621-I625 VanDerWaalsContact O-N 3.13Å | ||
| 622 | G | 93 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | H569 E624 I625 A626 | H569-G622 VanDerWaalsContact O-CA 3.31Å; H569-G622 WeakPolarHBondContact O-CA 3.38Å; H569-G622 PolarHBondContact O-N 3.27Å; G622-E624 VanDerWaalsContact C-N 3.35Å; G622-E624 PolarHBondContact O-N 3.41Å; G622-I625 PolarHBondContact O-N 3.01Å; G622-A626 WeakPolarHBondContact O-CB 3.36Å; G622-A626 PolarHBondContact O-N 2.98Å |
| 623 | F | 90 | Very high | 89.8 | Confident | 25 Ų | 25 | 35.5 Ų | 35.5 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.6 | -35.3 | 177.5 | -87 | -72.8 | 0 | 0 | 0 | 113.5 | A518 M554 H566 H569 R621 A626 Q627 | A518-F623 HydrophobicContact CB-CZ 4.35Å; M554-F623 HydrophobicContact CE-CD1 4.23Å; M554-F623 HydrophobicContact CE-CD2 4.19Å; M554-F623 HydrophobicContact CE-CE1 4.37Å; M554-F623 HydrophobicContact CE-CE2 4.36Å; M554-F623 HydrophobicContact CE-CG 4.16Å; M554-F623 HydrophobicContact CE-CZ 4.46Å; H566-F623 HydrophobicContact CB-CD2 4.18Å; H566-F623 AromaticContact ND1-CE2 3.98Å; H566-F623 VanDerWaalsContact O-CD2 3.26Å; H566-F623 WeakPolarHBondContact O-CD2 3.49Å; H569-F623 HydrophobicContact CB-CD2 4.26Å; H569-F623 HydrophobicContact CB-CE2 4.33Å; H569-F623 AromaticContact CG-CE2 3.99Å; H569-F623 AromaticContact ND1-CD2 3.98Å; H569-F623 AromaticContact ND1-CE2 3.3Å; H569-F623 VanDerWaalsContact ND1-CE2 3.3Å; H569-F623 WeakPolarHBondContact ND1-CE2 3.36Å; R621-F623 PolarHBondContact O-N 2.96Å; F623-A626 PolarHBondContact O-N 2.87Å; F623-Q627 WeakPolarHBondContact O-CB 3.25Å; F623-Q627 VanDerWaalsContact O-CG 3.29Å; F623-Q627 WeakPolarHBondContact O-CG 3.43Å; F623-Q627 PolarHBondContact O-N 3.28Å |
| 624 | E | 89.3 | Confident | 89.6 | Confident | 74 Ų | 74 | 34 Ų | 34 | 35% | 0.346 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.2 | -47.6 | 176.6 | 178.3 | 178.7 | 168.1 | 0 | 0 | 110.8 | R621 G622 A626 Q627 R628 | R621-E624 IonicContact CZ-OE1 2.72Å; R621-E624 IonicContact CZ-OE2 3.11Å; R621-E624 IonicContact NE-OE2 2.79Å; R621-E624 PolarHBondContact NE-OE2 3.06Å; R621-E624 IonicContact NH2-OE1 3.09Å; R621-E624 PolarHBondContact NH2-OE1 3.12Å; R621-E624 IonicContact NH2-OE2 2.63Å; R621-E624 PolarHBondContact NH2-OE2 3.42Å; R621-E624 WeakPolarHBondContact O-CB 3.12Å; R621-E624 PolarHBondContact O-N 3.22Å; G622-E624 VanDerWaalsContact C-N 3.35Å; G622-E624 PolarHBondContact O-N 3.41Å; E624-A626 PolarHBondContact O-N 3.31Å; E624-Q627 PolarHBondContact O-N 3.45Å; E624-R628 WeakPolarHBondContact O-CG 3.37Å; E624-R628 PolarHBondContact O-N 2.88Å; E624-R628 VanDerWaalsContact O-N 3.09Å |
| 625 | I | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.7 | -46 | 176.8 | -58.3 | 161.7 | 0 | 0 | 0 | 109.9 | V479 F483 M571 I616 L617 R621 G622 Q627 R628 R629 | V479-I625 HydrophobicContact CB-CG2 4.34Å; V479-I625 HydrophobicContact CG1-CG2 3.67Å; V479-I625 HydrophobicContact CG2-CG2 3.72Å; F483-I625 HydrophobicContact CD2-CB 4.48Å; F483-I625 HydrophobicContact CD2-CG1 4.17Å; F483-I625 HydrophobicContact CD2-CG2 3.93Å; F483-I625 HydrophobicContact CE2-CG1 4.47Å; F483-I625 HydrophobicContact CE2-CG2 4.19Å; F483-I625 HydrophobicContact CG-CG1 4.47Å; M571-I625 HydrophobicContact CB-CD1 4Å; M571-I625 HydrophobicContact CE-CB 4.25Å; M571-I625 HydrophobicContact CE-CG2 4.19Å; M571-I625 HydrophobicContact CG-CB 4.46Å; M571-I625 HydrophobicContact CG-CD1 4.33Å; M571-I625 HydrophobicContact CG-CG2 4.5Å; M571-I625 HydrophobicContact SD-CB 3.71Å; M571-I625 HydrophobicContact SD-CD1 4.44Å; M571-I625 HydrophobicContact SD-CG2 3.31Å; M571-I625 WeakPolarHBondContact SD-CG2 3.28Å; I616-I625 HydrophobicContact CB-CD1 4.16Å; I616-I625 HydrophobicContact CG2-CD1 3.91Å; I616-I625 WeakPolarHBondContact O-CD1 3.34Å; L617-I625 HydrophobicContact CB-CD1 4.01Å; L617-I625 HydrophobicContact CB-CG1 4.45Å; L617-I625 HydrophobicContact CD2-CG1 4.16Å; R621-I625 HydrophobicContact CB-CD1 4.47Å; R621-I625 WeakPolarHBondContact O-CG1 3.03Å; R621-I625 PolarHBondContact O-N 3.42Å; R621-I625 VanDerWaalsContact O-N 3.13Å; G622-I625 PolarHBondContact O-N 3.01Å; I625-Q627 VanDerWaalsContact C-N 3.35Å; I625-Q627 PolarHBondContact O-N 2.85Å; I625-R628 PolarHBondContact O-N 3.06Å; I625-R629 WeakPolarHBondContact O-CB 3.29Å; I625-R629 PolarHBondContact O-N 3.43Å |
| 626 | A | 89 | Confident | 89.4 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.7 | -45.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M554 M571 G622 F623 E624 R628 R629 L630 | M554-A626 HydrophobicContact SD-CB 4.42Å; M571-A626 HydrophobicContact CE-CB 3.55Å; G622-A626 WeakPolarHBondContact O-CB 3.36Å; G622-A626 PolarHBondContact O-N 2.98Å; F623-A626 PolarHBondContact O-N 2.87Å; E624-A626 PolarHBondContact O-N 3.31Å; A626-R628 VanDerWaalsContact C-N 3.32Å; A626-R628 PolarHBondContact O-N 3.31Å; A626-R629 PolarHBondContact O-N 2.99Å; A626-L630 HydrophobicContact CB-CD1 4.43Å; A626-L630 VanDerWaalsContact O-CB 3.24Å; A626-L630 WeakPolarHBondContact O-CB 3.38Å; A626-L630 WeakPolarHBondContact O-CD1 3.47Å; A626-L630 WeakPolarHBondContact O-CG 3.15Å; A626-L630 PolarHBondContact O-N 3.3Å |
| 627 | Q | 83.1 | Confident | 89.4 | Confident | 95 Ų | 95 | 33.9 Ų | 33.9 | 44% | 0.444 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.4 | -34.2 | 179.9 | -74.6 | -179.7 | 8.9 | 0 | 0 | 112.7 | F623 E624 I625 G631 R706 | F623-Q627 WeakPolarHBondContact O-CB 3.25Å; F623-Q627 VanDerWaalsContact O-CG 3.29Å; F623-Q627 WeakPolarHBondContact O-CG 3.43Å; F623-Q627 PolarHBondContact O-N 3.28Å; E624-Q627 PolarHBondContact O-N 3.45Å; I625-Q627 VanDerWaalsContact C-N 3.35Å; I625-Q627 PolarHBondContact O-N 2.85Å; Q627-G631 PolarHBondContact O-N 3.27Å; Q627-R706 VanDerWaalsContact CD-NH2 3.31Å |
| 628 | R | 82.6 | Confident | 89.5 | Confident | 106 Ų | 106 | 30.2 Ų | 30.2 | 40% | 0.4 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -73.5 | -40.5 | 177.7 | -69.6 | -74 | -165.4 | 170.6 | 12.8 | 111.8 | M482 F483 E624 I625 A626 P632 S702 | M482-R628 HydrophobicContact CE-CB 4.25Å; F483-R628 HydrophobicContact CE2-CB 3.91Å; F483-R628 HydrophobicContact CE2-CG 4.42Å; F483-R628 HydrophobicContact CZ-CB 3.87Å; F483-R628 HydrophobicContact CZ-CG 3.89Å; E624-R628 WeakPolarHBondContact O-CG 3.37Å; E624-R628 PolarHBondContact O-N 2.88Å; E624-R628 VanDerWaalsContact O-N 3.09Å; I625-R628 PolarHBondContact O-N 3.06Å; A626-R628 VanDerWaalsContact C-N 3.32Å; A626-R628 PolarHBondContact O-N 3.31Å; R628-P632 WeakPolarHBondContact O-CD 3.46Å; R628-S702 PolarHBondContact NH1-OG 2.79Å; R628-S702 VanDerWaalsContact NH1-OG 3.09Å |
| 629 | R | 85.3 | Confident | 89.8 | Confident | 15 Ų | 15 | 29.3 Ų | 29.3 | 6% | 0.057 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.6 | -50 | 174.1 | -179.7 | -179.9 | -175.7 | -95.7 | -6.8 | 112.9 | N476 V479 F505 I625 A626 G631 G633 | N476-R629 VanDerWaalsContact OD1-CZ 3.32Å; N476-R629 PolarHBondContact OD1-NE 3.42Å; N476-R629 VanDerWaalsContact OD1-NE 3.08Å; N476-R629 PolarHBondContact OD1-NH2 2.94Å; V479-R629 HydrophobicContact CG2-CB 3.65Å; V479-R629 HydrophobicContact CG2-CG 3.8Å; F505-R629 VanDerWaalsContact CG-NH2 3.35Å; I625-R629 WeakPolarHBondContact O-CB 3.29Å; I625-R629 PolarHBondContact O-N 3.43Å; A626-R629 PolarHBondContact O-N 2.99Å; R629-G631 PolarHBondContact O-N 3.43Å; R629-G633 PolarHBondContact O-N 3.5Å |
| 630 | L | 80.1 | Confident | 90.1 | Very high | 18 Ų | 18 | 28 Ų | 28 | 9% | 0.094 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -74.3 | -13.8 | -171.7 | -66.1 | 170.6 | 0 | 0 | 0 | 112.9 | A626 R634 D756 | A626-L630 HydrophobicContact CB-CD1 4.43Å; A626-L630 VanDerWaalsContact O-CB 3.24Å; A626-L630 WeakPolarHBondContact O-CB 3.38Å; A626-L630 WeakPolarHBondContact O-CD1 3.47Å; A626-L630 WeakPolarHBondContact O-CG 3.15Å; A626-L630 PolarHBondContact O-N 3.3Å; L630-R634 VanDerWaalsContact O-CB 3.31Å; L630-R634 WeakPolarHBondContact O-CB 3.41Å; L630-R634 WeakPolarHBondContact O-CD 3.38Å; L630-R634 WeakPolarHBondContact O-CG 3.48Å; L630-R634 PolarHBondContact O-N 3.13Å; L630-D756 HydrophobicContact CD2-CB 4.35Å; L630-D756 WeakPolarHBondContact CD2-OD1 3.19Å |
| 631 | G | 78.9 | Confident | 90.4 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 6% | 0.062 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.3 | -69.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q627 R629 G633 R634 L635 | Q627-G631 PolarHBondContact O-N 3.27Å; R629-G631 PolarHBondContact O-N 3.43Å; G631-G633 PolarHBondContact O-N 3.47Å; G631-R634 PolarHBondContact O-N 2.79Å; G631-L635 PolarHBondContact O-N 2.91Å |
| 632 | P | 78.9 | Confident | 90.7 | Very high | 17 Ų | 17 | 22.5 Ų | 22.5 | 11% | 0.11 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.2 | -42 | 177 | -22.5 | 33.9 | 0 | 0 | 0 | 112.8 | R628 R634 L635 H636 | R628-P632 WeakPolarHBondContact O-CD 3.46Å; P632-R634 PolarHBondContact O-N 2.82Å; P632-L635 WeakPolarHBondContact O-CA 3.48Å; P632-L635 WeakPolarHBondContact O-CB 3.42Å; P632-L635 PolarHBondContact O-N 3.13Å; P632-H636 PolarHBondContact O-CD2 3.02Å; P632-H636 VanDerWaalsContact O-CD2 3.27Å; P632-H636 VanDerWaalsContact O-CG 3.31Å; P632-H636 PolarHBondContact O-N 3.14Å |
| 633 | G | 85 | Confident | 91 | Very high | 9 Ų | 9 | 22.5 Ų | 22.5 | 9% | 0.093 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.7 | -44.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R629 G631 L635 H636 H637 | R629-G633 PolarHBondContact O-N 3.5Å; G631-G633 PolarHBondContact O-N 3.47Å; G633-L635 VanDerWaalsContact C-N 3.3Å; G633-L635 PolarHBondContact O-N 2.86Å; G633-H636 PolarHBondContact O-N 2.83Å; G633-H637 PolarHBondContact O-CD2 3.15Å; G633-H637 VanDerWaalsContact O-CD2 3.27Å; G633-H637 PolarHBondContact O-N 2.78Å; G633-H637 VanDerWaalsContact O-N 3.16Å |
| 634 | R | 92.9 | Very high | 91.4 | Very high | 54 Ų | 54 | 21.5 Ų | 21.5 | 20% | 0.204 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.8 | -43.1 | 174 | -77.7 | 167.3 | -172.3 | 153.2 | 0.9 | 111.7 | L630 G631 P632 H637 C638 I709 K713 D756 | L630-R634 VanDerWaalsContact O-CB 3.31Å; L630-R634 WeakPolarHBondContact O-CB 3.41Å; L630-R634 WeakPolarHBondContact O-CD 3.38Å; L630-R634 WeakPolarHBondContact O-CG 3.48Å; L630-R634 PolarHBondContact O-N 3.13Å; G631-R634 PolarHBondContact O-N 2.79Å; P632-R634 PolarHBondContact O-N 2.82Å; R634-H637 PolarHBondContact O-N 3.19Å; R634-C638 PolarHBondContact O-N 3.13Å; R634-C638 VanDerWaalsContact O-N 3.17Å; R634-C638 PolarHBondContact O-SG 2.91Å; R634-I709 HydrophobicContact CB-CG2 3.89Å; R634-K713 HydrophobicContact CB-CD 4.4Å; R634-K713 HydrophobicContact CG-CD 4.23Å; R634-K713 HydrophobicContact CG-CG 4.46Å; R634-D756 HydrophobicContact CG-CB 3.83Å; R634-D756 PolarHBondContact NE-O 2.83Å; R634-D756 PolarHBondContact NH2-O 2.93Å |
| 635 | L | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.8 | -41.2 | -178.4 | -175.1 | 63.1 | 0 | 0 | 0 | 111.3 | G631 P632 G633 H637 C638 M639 T690 A693 A694 L697 I712 | G631-L635 PolarHBondContact O-N 2.91Å; P632-L635 WeakPolarHBondContact O-CA 3.48Å; P632-L635 WeakPolarHBondContact O-CB 3.42Å; P632-L635 PolarHBondContact O-N 3.13Å; G633-L635 VanDerWaalsContact C-N 3.3Å; G633-L635 PolarHBondContact O-N 2.86Å; L635-H637 VanDerWaalsContact C-N 3.31Å; L635-H637 PolarHBondContact O-N 3Å; L635-C638 WeakPolarHBondContact O-CA 3.31Å; L635-C638 WeakPolarHBondContact O-CB 3.33Å; L635-C638 PolarHBondContact O-N 2.94Å; L635-M639 HydrophobicContact CD1-CE 4.35Å; L635-M639 HydrophobicContact CD2-CE 3.63Å; L635-M639 HydrophobicContact CG-CE 3.51Å; L635-M639 HydrophobicContact CG-SD 4.32Å; L635-M639 VanDerWaalsContact O-CG 3.29Å; L635-M639 WeakPolarHBondContact O-CG 3.46Å; L635-M639 PolarHBondContact O-N 3.36Å; L635-T690 HydrophobicContact CD1-CG2 4.05Å; L635-A693 HydrophobicContact CD1-CB 3.78Å; L635-A694 HydrophobicContact CD2-CB 3.97Å; L635-L697 HydrophobicContact CD2-CD2 3.93Å; L635-I712 HydrophobicContact CD1-CG2 4.05Å |
| 636 | H | 97.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | 176.5 | -59.1 | 170.5 | 0 | 0 | 0 | 112.4 | Q447 Y450 E478 P632 G633 C638 M639 R640 | Q447-H636 PolarHBondContact OE1-NE2 2.72Å; Q447-H636 VanDerWaalsContact OE1-NE2 3.09Å; Y450-H636 AromaticContact CD1-CD2 3.83Å; Y450-H636 AromaticContact CD1-NE2 3.83Å; Y450-H636 HydrophobicContact CE1-CB 4.47Å; Y450-H636 AromaticContact CE1-CD2 3.57Å; Y450-H636 AromaticContact CE1-CG 3.8Å; Y450-H636 AromaticContact CE1-NE2 3.71Å; E478-H636 IonicContact OE1-CE1 3.06Å; E478-H636 PolarHBondContact OE1-CE1 2.64Å; P632-H636 PolarHBondContact O-CD2 3.02Å; P632-H636 VanDerWaalsContact O-CD2 3.27Å; P632-H636 VanDerWaalsContact O-CG 3.31Å; P632-H636 PolarHBondContact O-N 3.14Å; G633-H636 PolarHBondContact O-N 2.83Å; H636-C638 VanDerWaalsContact C-N 3.34Å; H636-M639 PolarHBondContact O-N 3.21Å; H636-R640 PolarHBondContact O-N 3.09Å; H636-R640 VanDerWaalsContact O-N 3.15Å; H636-R640 PolarHBondContact O-NE 3.18Å |
| 637 | H | 98 | Very high | 92.5 | Very high | 31 Ų | 31 | 20.8 Ų | 20.8 | 14% | 0.144 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 171.4 | -81 | -66 | 0 | 0 | 0 | 112.5 | G633 R634 L635 R640 A641 L752 D756 | G633-H637 PolarHBondContact O-CD2 3.15Å; G633-H637 VanDerWaalsContact O-CD2 3.27Å; G633-H637 PolarHBondContact O-N 2.78Å; G633-H637 VanDerWaalsContact O-N 3.16Å; R634-H637 PolarHBondContact O-N 3.19Å; L635-H637 VanDerWaalsContact C-N 3.31Å; L635-H637 PolarHBondContact O-N 3Å; H637-R640 PolarHBondContact O-N 3.24Å; H637-A641 WeakPolarHBondContact O-CB 3.31Å; H637-A641 PolarHBondContact O-N 3.18Å; H637-L752 HydrophobicContact CB-CD2 4.04Å; H637-D756 IonicContact CD2-OD2 3.05Å |
| 638 | C | 98.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 3% | 0.027 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 178 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | R634 L635 H636 A641 V642 T690 I712 A716 | R634-C638 PolarHBondContact O-N 3.13Å; R634-C638 VanDerWaalsContact O-N 3.17Å; R634-C638 PolarHBondContact O-SG 2.91Å; L635-C638 WeakPolarHBondContact O-CA 3.31Å; L635-C638 WeakPolarHBondContact O-CB 3.33Å; L635-C638 PolarHBondContact O-N 2.94Å; H636-C638 VanDerWaalsContact C-N 3.34Å; C638-A641 WeakPolarHBondContact O-CB 3.49Å; C638-A641 PolarHBondContact O-N 3.49Å; C638-V642 PolarHBondContact O-N 2.78Å; C638-T690 HydrophobicContact CB-CG2 4.49Å; C638-I712 HydrophobicContact CB-CG1 3.68Å; C638-I712 HydrophobicContact CB-CG2 4.43Å; C638-A716 HydrophobicContact CB-CB 3.81Å |
| 639 | M | 98.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.4 | -50.6 | 174.6 | -62.2 | 154 | 169.2 | 0 | 0 | 110.8 | Q447 Y450 A451 A454 E455 L635 H636 A641 V642 G643 T690 A694 | Q447-M639 WeakPolarHBondContact O-CE 3.48Å; Y450-M639 HydrophobicContact CD1-SD 4.12Å; Y450-M639 HydrophobicContact CE1-SD 4.38Å; A451-M639 HydrophobicContact CB-CE 3.45Å; A451-M639 VanDerWaalsContact CB-CE 3.45Å; A451-M639 HydrophobicContact CB-CG 3.92Å; A451-M639 HydrophobicContact CB-SD 4.11Å; A454-M639 HydrophobicContact CB-CB 3.62Å; A454-M639 HydrophobicContact CB-CG 4.35Å; A454-M639 HydrophobicContact CB-SD 3.97Å; E455-M639 WeakPolarHBondContact CA-O 3.44Å; L635-M639 HydrophobicContact CD1-CE 4.35Å; L635-M639 HydrophobicContact CD2-CE 3.63Å; L635-M639 HydrophobicContact CG-CE 3.51Å; L635-M639 HydrophobicContact CG-SD 4.32Å; L635-M639 VanDerWaalsContact O-CG 3.29Å; L635-M639 WeakPolarHBondContact O-CG 3.46Å; L635-M639 PolarHBondContact O-N 3.36Å; H636-M639 PolarHBondContact O-N 3.21Å; M639-A641 VanDerWaalsContact C-N 3.31Å; M639-A641 PolarHBondContact O-N 3.21Å; M639-V642 WeakPolarHBondContact O-CB 3.43Å; M639-V642 PolarHBondContact O-N 2.87Å; M639-G643 PolarHBondContact O-N 3.1Å; M639-T690 HydrophobicContact CB-CG2 4.34Å; M639-T690 HydrophobicContact CG-CG2 3.57Å; M639-A694 HydrophobicContact CE-CB 4.13Å |
| 640 | R | 98.7 | Very high | 94.7 | Very high | 13 Ų | 13 | 14.6 Ų | 14.6 | 5% | 0.049 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.7 | -34.2 | 177.2 | -74.1 | -178.7 | -72.4 | -103 | 5 | 113.2 | A454 G458 C469 H636 H637 V642 G643 C644 | A454-R640 VanDerWaalsContact O-CG 3.29Å; A454-R640 WeakPolarHBondContact O-CG 3.46Å; G458-R640 WeakPolarHBondContact CA-O 3.35Å; C469-R640 PolarHBondContact O-NH1 3.41Å; H636-R640 PolarHBondContact O-N 3.09Å; H636-R640 VanDerWaalsContact O-N 3.15Å; H636-R640 PolarHBondContact O-NE 3.18Å; H637-R640 PolarHBondContact O-N 3.24Å; R640-V642 VanDerWaalsContact C-N 3.27Å; R640-V642 PolarHBondContact O-N 3.49Å; R640-G643 PolarHBondContact O-N 3.34Å; R640-C644 PolarHBondContact O-N 2.99Å |
| 641 | A | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.4 | -34 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H637 C638 M639 C644 A645 A716 V720 L752 | H637-A641 WeakPolarHBondContact O-CB 3.31Å; H637-A641 PolarHBondContact O-N 3.18Å; C638-A641 WeakPolarHBondContact O-CB 3.49Å; C638-A641 PolarHBondContact O-N 3.49Å; M639-A641 VanDerWaalsContact C-N 3.31Å; M639-A641 PolarHBondContact O-N 3.21Å; A641-C644 PolarHBondContact O-N 3.22Å; A641-A645 WeakPolarHBondContact O-CB 3.42Å; A641-A645 PolarHBondContact O-N 3.49Å; A641-A716 HydrophobicContact CB-CB 4.36Å; A641-V720 HydrophobicContact CB-CB 4.23Å; A641-V720 HydrophobicContact CB-CG1 4Å; A641-L752 HydrophobicContact CB-CD1 3.98Å |
| 642 | V | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.006 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 173.1 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | E455 C638 M639 R640 C644 A645 E646 I683 T686 R687 M719 | E455-V642 VanDerWaalsContact CD-CG1 3.43Å; E455-V642 HydrophobicContact CG-CB 4.05Å; E455-V642 HydrophobicContact CG-CG1 3.84Å; E455-V642 WeakPolarHBondContact OE2-CG1 3.21Å; C638-V642 PolarHBondContact O-N 2.78Å; M639-V642 WeakPolarHBondContact O-CB 3.43Å; M639-V642 PolarHBondContact O-N 2.87Å; R640-V642 VanDerWaalsContact C-N 3.27Å; R640-V642 PolarHBondContact O-N 3.49Å; V642-C644 PolarHBondContact O-N 2.96Å; V642-A645 PolarHBondContact O-N 3.35Å; V642-E646 PolarHBondContact O-N 3.31Å; V642-I683 HydrophobicContact CG1-CG2 4.28Å; V642-T686 HydrophobicContact CG2-CG2 4.24Å; V642-R687 HydrophobicContact CG1-CB 4.01Å; V642-R687 HydrophobicContact CG1-CG 4.34Å; V642-M719 HydrophobicContact CG2-CE 4.25Å |
| 643 | G | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E455 M639 R640 A645 E646 Q647 | E455-G643 WeakPolarHBondContact O-CA 3.25Å; M639-G643 PolarHBondContact O-N 3.1Å; R640-G643 PolarHBondContact O-N 3.34Å; G643-A645 VanDerWaalsContact C-N 3.29Å; G643-A645 PolarHBondContact O-N 2.9Å; G643-E646 PolarHBondContact O-N 3.14Å; G643-Q647 PolarHBondContact O-N 3.49Å |
| 644 | C | 98.7 | Very high | 98 | Very high | 5 Ų | 5 | 20.4 Ų | 20.4 | 3% | 0.034 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.1 | -41.4 | 175.3 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | G458 R640 A641 V642 Q647 A648 V720 M745 | G458-C644 WeakPolarHBondContact O-CA 3.27Å; G458-C644 PolarHBondContact O-N 3.4Å; R640-C644 PolarHBondContact O-N 2.99Å; A641-C644 PolarHBondContact O-N 3.22Å; V642-C644 PolarHBondContact O-N 2.96Å; C644-Q647 PolarHBondContact O-N 3.43Å; C644-A648 PolarHBondContact O-N 2.98Å; C644-V720 HydrophobicContact CB-CG2 4.03Å; C644-M745 WeakPolarHBondContact O-CE 3.41Å; C644-M745 VanDerWaalsContact SG-CE 3.51Å |
| 645 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.8 | -39.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A641 V642 G643 Q647 A648 L649 I683 M719 V720 V723 | A641-A645 WeakPolarHBondContact O-CB 3.42Å; A641-A645 PolarHBondContact O-N 3.49Å; V642-A645 PolarHBondContact O-N 3.35Å; G643-A645 VanDerWaalsContact C-N 3.29Å; G643-A645 PolarHBondContact O-N 2.9Å; A645-Q647 VanDerWaalsContact C-N 3.34Å; A645-A648 PolarHBondContact O-N 3.3Å; A645-L649 WeakPolarHBondContact O-CB 3.31Å; A645-L649 PolarHBondContact O-N 2.99Å; A645-I683 HydrophobicContact CB-CD1 4.04Å; A645-I683 HydrophobicContact CB-CG1 3.84Å; A645-M719 HydrophobicContact CB-CE 3.82Å; A645-M719 HydrophobicContact CB-SD 3.38Å; A645-M719 WeakPolarHBondContact CB-SD 3.49Å; A645-V720 HydrophobicContact CB-CB 4.49Å; A645-V720 HydrophobicContact CB-CG2 4.23Å; A645-V723 HydrophobicContact CB-CB 4.25Å; A645-V723 HydrophobicContact CB-CG1 4.15Å; A645-V723 HydrophobicContact CB-CG2 4.41Å; A645-V723 WeakPolarHBondContact O-CG1 3.32Å |
| 646 | E | 98.6 | Very high | 98.4 | Very high | 32 Ų | 32 | 20.1 Ų | 20.1 | 15% | 0.15 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 173.2 | -76.6 | -71.7 | -174.5 | 0 | 0 | 111.6 | V642 G643 A648 L649 E650 R680 I683 R687 | V642-E646 PolarHBondContact O-N 3.31Å; G643-E646 PolarHBondContact O-N 3.14Å; E646-A648 VanDerWaalsContact C-N 3.33Å; E646-A648 PolarHBondContact O-N 3.11Å; E646-L649 PolarHBondContact O-N 3.4Å; E646-E650 PolarHBondContact O-N 3.44Å; E646-R680 IonicContact OE1-CZ 2.77Å; E646-R680 IonicContact OE1-NH1 3.08Å; E646-R680 PolarHBondContact OE1-NH1 3.23Å; E646-R680 IonicContact OE1-NH2 3.86Å; E646-R680 PolarHBondContact OE1-NH2 3.22Å; E646-R680 IonicContact OE2-CZ 2.83Å; E646-R680 IonicContact OE2-NH1 3.79Å; E646-R680 IonicContact OE2-NH2 3.9Å; E646-R680 PolarHBondContact OE2-NH2 3.49Å; E646-I683 HydrophobicContact CG-CG2 4.15Å; E646-I683 WeakPolarHBondContact OE1-CG2 3.37Å; E646-R687 VanDerWaalsContact CG-NH2 3.31Å; E646-R687 IonicContact OE1-CZ 2.95Å; E646-R687 IonicContact OE1-NH1 3.05Å; E646-R687 IonicContact OE1-NH2 3.62Å; E646-R687 PolarHBondContact OE1-NH2 3.46Å |
| 647 | Q | 98 | Very high | 98.4 | Very high | 30 Ų | 30 | 22.6 Ų | 22.6 | 14% | 0.14 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 175.8 | -172.4 | 62.5 | 21.7 | 0 | 0 | 111.9 | G643 C644 A645 E650 L651 M745 | G643-Q647 PolarHBondContact O-N 3.49Å; C644-Q647 PolarHBondContact O-N 3.43Å; A645-Q647 VanDerWaalsContact C-N 3.34Å; Q647-E650 PolarHBondContact O-N 3.27Å; Q647-L651 WeakPolarHBondContact O-CG 3.32Å; Q647-L651 PolarHBondContact O-N 2.86Å; Q647-L651 VanDerWaalsContact O-N 3.09Å; Q647-M745 HydrophobicContact CB-CE 4.09Å; Q647-M745 HydrophobicContact CG-CE 4.31Å |
| 648 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.4 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C644 A645 E646 L651 L652 V723 V724 A727 L742 M745 | C644-A648 PolarHBondContact O-N 2.98Å; A645-A648 PolarHBondContact O-N 3.3Å; E646-A648 VanDerWaalsContact C-N 3.33Å; E646-A648 PolarHBondContact O-N 3.11Å; A648-L651 PolarHBondContact O-N 2.72Å; A648-L652 VanDerWaalsContact O-CB 3.32Å; A648-L652 WeakPolarHBondContact O-CB 3.4Å; A648-L652 PolarHBondContact O-N 3.14Å; A648-V723 HydrophobicContact CB-CG1 4.07Å; A648-V724 HydrophobicContact CB-CB 4.49Å; A648-V724 HydrophobicContact CB-CG2 3.84Å; A648-A727 HydrophobicContact CB-CB 4.22Å; A648-A727 WeakPolarHBondContact O-CB 3.3Å; A648-L742 HydrophobicContact CB-CD2 4.39Å; A648-M745 HydrophobicContact CB-CE 3.72Å |
| 649 | L | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.8 | -38.9 | 176.6 | 179.5 | 57.8 | 0 | 0 | 0 | 111.7 | A645 E646 L652 C653 I676 C679 R680 I683 V723 | A645-L649 WeakPolarHBondContact O-CB 3.31Å; A645-L649 PolarHBondContact O-N 2.99Å; E646-L649 PolarHBondContact O-N 3.4Å; L649-L652 HydrophobicContact CD1-CD1 4.5Å; L649-L652 WeakPolarHBondContact O-CB 3.32Å; L649-L652 PolarHBondContact O-N 3.38Å; L649-C653 WeakPolarHBondContact O-CB 3.29Å; L649-C653 PolarHBondContact O-N 3.38Å; L649-C653 PolarHBondContact O-SG 2.92Å; L649-C653 VanDerWaalsContact O-SG 3.38Å; L649-I676 HydrophobicContact CD1-CG2 4.44Å; L649-C679 HydrophobicContact CD1-CB 3.81Å; L649-C679 HydrophobicContact CD2-CB 4.45Å; L649-R680 HydrophobicContact CD2-CB 4.44Å; L649-I683 HydrophobicContact CB-CD1 4.06Å; L649-I683 HydrophobicContact CD2-CD1 3.72Å; L649-V723 HydrophobicContact CB-CG1 4.4Å |
| 650 | E | 98.5 | Very high | 98.3 | Very high | 78 Ų | 78 | 39.1 Ų | 39.1 | 36% | 0.364 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.3 | -50 | 174.5 | -177.2 | 173.1 | 163.4 | 0 | 0 | 111.4 | R459 E646 Q647 L652 C653 Q654 | R459-E650 IonicContact CZ-OE2 3.91Å; R459-E650 IonicContact NH2-OE2 2.61Å; R459-E650 PolarHBondContact NH2-OE2 3.09Å; E646-E650 PolarHBondContact O-N 3.44Å; Q647-E650 PolarHBondContact O-N 3.27Å; E650-L652 VanDerWaalsContact C-N 3.31Å; E650-L652 PolarHBondContact O-N 3.48Å; E650-C653 PolarHBondContact O-N 2.92Å; E650-Q654 HydrophobicContact CG-CG 4.44Å; E650-Q654 WeakPolarHBondContact O-CB 3.39Å; E650-Q654 VanDerWaalsContact O-CG 3.31Å; E650-Q654 WeakPolarHBondContact O-CG 3.43Å; E650-Q654 PolarHBondContact O-N 3.31Å; E650-Q654 PolarHBondContact OE1-NE2 2.8Å |
| 651 | L | 98.2 | Very high | 98.2 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 11% | 0.11 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 175.7 | -69.5 | 172.8 | 0 | 0 | 0 | 111.6 | Q647 A648 R655 H731 P741 L742 | Q647-L651 WeakPolarHBondContact O-CG 3.32Å; Q647-L651 PolarHBondContact O-N 2.86Å; Q647-L651 VanDerWaalsContact O-N 3.09Å; A648-L651 PolarHBondContact O-N 2.72Å; L651-R655 VanDerWaalsContact O-CB 3.25Å; L651-R655 WeakPolarHBondContact O-CB 3.49Å; L651-R655 PolarHBondContact O-N 3.09Å; L651-H731 PolarHBondContact O-CE1 2.88Å; L651-H731 VanDerWaalsContact O-CE1 3.32Å; L651-P741 HydrophobicContact CD1-CG 3.85Å; L651-L742 HydrophobicContact CD1-CD2 3.91Å; L651-L742 HydrophobicContact CD1-CG 4.31Å |
| 652 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.9 | -52.4 | 176 | -172 | 171.2 | 0 | 0 | 0 | 110.6 | A648 L649 E650 R655 A656 I676 C726 A727 V730 | A648-L652 VanDerWaalsContact O-CB 3.32Å; A648-L652 WeakPolarHBondContact O-CB 3.4Å; A648-L652 PolarHBondContact O-N 3.14Å; L649-L652 HydrophobicContact CD1-CD1 4.5Å; L649-L652 WeakPolarHBondContact O-CB 3.32Å; L649-L652 PolarHBondContact O-N 3.38Å; E650-L652 VanDerWaalsContact C-N 3.31Å; E650-L652 PolarHBondContact O-N 3.48Å; L652-R655 PolarHBondContact O-N 3.09Å; L652-A656 HydrophobicContact CD2-CB 4.49Å; L652-A656 VanDerWaalsContact O-CB 3.26Å; L652-A656 WeakPolarHBondContact O-CB 3.4Å; L652-A656 PolarHBondContact O-N 2.83Å; L652-I676 HydrophobicContact CD2-CD1 4.02Å; L652-I676 HydrophobicContact CD2-CG1 3.43Å; L652-I676 VanDerWaalsContact CD2-CG1 3.43Å; L652-C726 HydrophobicContact CD1-CB 3.93Å; L652-A727 HydrophobicContact CB-CB 3.9Å; L652-A727 HydrophobicContact CD1-CB 4.31Å; L652-A727 HydrophobicContact CG-CB 4.4Å; L652-V730 HydrophobicContact CD1-CG2 4.45Å; L652-V730 HydrophobicContact CD2-CG1 4.4Å; L652-V730 HydrophobicContact CD2-CG2 4.07Å; L652-V730 HydrophobicContact CG-CB 4.15Å; L652-V730 HydrophobicContact CG-CG1 4.38Å; L652-V730 HydrophobicContact CG-CG2 3.93Å |
| 653 | C | 98.6 | Very high | 97.9 | Very high | 48 Ų | 48 | 53.7 Ų | 53.7 | 32% | 0.324 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | -178.8 | -72.8 | 0 | 0 | 0 | 0 | 112.3 | L649 E650 R655 A656 A657 | L649-C653 WeakPolarHBondContact O-CB 3.29Å; L649-C653 PolarHBondContact O-N 3.38Å; L649-C653 PolarHBondContact O-SG 2.92Å; L649-C653 VanDerWaalsContact O-SG 3.38Å; E650-C653 PolarHBondContact O-N 2.92Å; C653-R655 VanDerWaalsContact C-N 3.34Å; C653-R655 PolarHBondContact O-N 3.43Å; C653-A656 PolarHBondContact O-N 3.01Å; C653-A657 WeakPolarHBondContact O-CB 3.36Å; C653-A657 PolarHBondContact O-N 2.97Å |
| 654 | Q | 98.1 | Very high | 97.8 | Very high | 102 Ų | 102 | 58.5 Ų | 58.5 | 48% | 0.477 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 176.4 | -72.1 | 174 | 0.4 | 0 | 0 | 111.5 | E650 A657 S658 | E650-Q654 HydrophobicContact CG-CG 4.44Å; E650-Q654 WeakPolarHBondContact O-CB 3.39Å; E650-Q654 VanDerWaalsContact O-CG 3.31Å; E650-Q654 WeakPolarHBondContact O-CG 3.43Å; E650-Q654 PolarHBondContact O-N 3.31Å; E650-Q654 PolarHBondContact OE1-NE2 2.8Å; Q654-A657 PolarHBondContact O-N 3.38Å; Q654-S658 WeakPolarHBondContact O-CB 3.48Å; Q654-S658 PolarHBondContact O-N 2.79Å; Q654-S658 VanDerWaalsContact O-N 3.11Å; Q654-S658 PolarHBondContact O-OG 2.72Å |
| 655 | R | 98.2 | Very high | 97.8 | Very high | 48 Ų | 48 | 59.5 Ų | 59.5 | 18% | 0.181 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 176.5 | -171.9 | 67.5 | 172.2 | -171.8 | -6.4 | 111.9 | L651 L652 C653 A657 S658 R659 V730 H731 | L651-R655 VanDerWaalsContact O-CB 3.25Å; L651-R655 WeakPolarHBondContact O-CB 3.49Å; L651-R655 PolarHBondContact O-N 3.09Å; L652-R655 PolarHBondContact O-N 3.09Å; C653-R655 VanDerWaalsContact C-N 3.34Å; C653-R655 PolarHBondContact O-N 3.43Å; R655-A657 VanDerWaalsContact C-N 3.3Å; R655-A657 PolarHBondContact O-N 3.18Å; R655-S658 PolarHBondContact O-N 2.77Å; R655-S658 PolarHBondContact O-OG 3.19Å; R655-R659 HydrophobicContact CG-CG 4.31Å; R655-R659 WeakPolarHBondContact O-CB 3.33Å; R655-R659 WeakPolarHBondContact O-CG 3.38Å; R655-R659 PolarHBondContact O-N 3.38Å; R655-V730 HydrophobicContact CB-CG1 4.17Å; R655-V730 HydrophobicContact CG-CG1 4.1Å; R655-H731 WeakPolarHBondContact CB-CE1 3.45Å |
| 656 | A | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.5 | -35.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L652 C653 L666 Y667 I672 I676 V730 | L652-A656 HydrophobicContact CD2-CB 4.49Å; L652-A656 VanDerWaalsContact O-CB 3.26Å; L652-A656 WeakPolarHBondContact O-CB 3.4Å; L652-A656 PolarHBondContact O-N 2.83Å; C653-A656 PolarHBondContact O-N 3.01Å; A656-L666 HydrophobicContact CB-CB 4.25Å; A656-L666 WeakPolarHBondContact O-CB 3.48Å; A656-L666 PolarHBondContact O-N 3.21Å; A656-L666 VanDerWaalsContact O-N 3.16Å; A656-Y667 WeakPolarHBondContact O-CD1 3.5Å; A656-Y667 PolarHBondContact O-N 3.48Å; A656-I672 HydrophobicContact CB-CG2 4.13Å; A656-I676 HydrophobicContact CB-CD1 4.44Å; A656-V730 HydrophobicContact CB-CG1 4.1Å |
| 657 | A | 97.3 | Very high | 97.6 | Very high | 52 Ų | 52 | 63.7 Ų | 63.7 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74.8 | -33.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | C653 Q654 R655 Y667 | C653-A657 WeakPolarHBondContact O-CB 3.36Å; C653-A657 PolarHBondContact O-N 2.97Å; Q654-A657 PolarHBondContact O-N 3.38Å; R655-A657 VanDerWaalsContact C-N 3.3Å; R655-A657 PolarHBondContact O-N 3.18Å; A657-Y667 HydrophobicContact CB-CD1 4.39Å; A657-Y667 HydrophobicContact CB-CE1 4.48Å |
| 658 | S | 96.5 | Very high | 97.6 | Very high | 83 Ų | 83 | 66.5 Ų | 66.5 | 58% | 0.58 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -90.7 | -17.4 | -172.9 | 56.7 | 0 | 0 | 0 | 0 | 114.9 | Q654 R655 | Q654-S658 WeakPolarHBondContact O-CB 3.48Å; Q654-S658 PolarHBondContact O-N 2.79Å; Q654-S658 VanDerWaalsContact O-N 3.11Å; Q654-S658 PolarHBondContact O-OG 2.72Å; R655-S658 PolarHBondContact O-N 2.77Å; R655-S658 PolarHBondContact O-OG 3.19Å |
| 659 | R | 97.4 | Very high | 97.6 | Very high | 131 Ų | 131 | 68.8 Ų | 68.8 | 49% | 0.494 | 35% | 0.346 | S | S | . | . | trans | -109 | 149.8 | -175.1 | -60 | -60.7 | -66.2 | -157.2 | -2.1 | 112.1 | R655 N665 L666 | R655-R659 HydrophobicContact CG-CG 4.31Å; R655-R659 WeakPolarHBondContact O-CB 3.33Å; R655-R659 WeakPolarHBondContact O-CG 3.38Å; R655-R659 PolarHBondContact O-N 3.38Å; R659-N665 CarbonylContact O-C 3.57Å; R659-N665 WeakPolarHBondContact O-CA 3.27Å; R659-L666 HydrophobicContact CB-CD1 3.73Å; R659-L666 HydrophobicContact CB-CG 3.98Å; R659-L666 PolarHBondContact O-N 3.09Å | ||
| 660 | R | 97.9 | Very high | 97.5 | Very high | 169 Ų | 169 | 75.1 Ų | 75.1 | 64% | 0.638 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 141.8 | -179.3 | -71.5 | -177.4 | 157.7 | -144.3 | -5.6 | 112.7 | K664 N665 | R660-K664 CarbonylContact C-O 3.56Å; R660-K664 WeakPolarHBondContact CA-O 3.4Å; R660-K664 WeakPolarHBondContact CB-O 3.38Å; R660-N665 WeakPolarHBondContact CG-OD1 3.24Å; R660-N665 PolarHBondContact NE-OD1 3.13Å |
| 661 | T | 96.3 | Very high | 97.5 | Very high | 58 Ų | 58 | 75.5 Ų | 75.5 | 36% | 0.356 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 146.5 | 168.2 | 58.6 | 0 | 0 | 0 | 0 | 108.7 | G663 K664 L666 H669 | T661-G663 PolarHBondContact O-N 3Å; T661-G663 VanDerWaalsContact O-N 3.13Å; T661-K664 PolarHBondContact N-O 3.2Å; T661-K664 PolarHBondContact O-N 2.94Å; T661-K664 VanDerWaalsContact O-O 3.09Å; T661-L666 HydrophobicContact CG2-CD2 3.87Å; T661-L666 WeakPolarHBondContact OG1-CD2 3.42Å; T661-H669 PolarHBondContact O-NE2 3.14Å; T661-H669 VanDerWaalsContact O-NE2 3.17Å; T661-H669 PolarHBondContact OG1-NE2 3.14Å; T661-H669 VanDerWaalsContact OG1-NE2 3.07Å |
| 662 | F | 96.5 | Very high | 97.6 | Very high | 194 Ų | 194 | 75.5 Ų | 75.5 | 85% | 0.851 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 40.1 | 178.6 | -47.9 | -74.2 | 0 | 0 | 0 | 113.4 | K664 | F662-K664 VanDerWaalsContact C-N 3.26Å; F662-K664 PolarHBondContact O-N 2.9Å |
| 663 | G | 95.9 | Very high | 97.5 | Very high | 67 Ų | 67 | 77.3 Ų | 77.3 | 69% | 0.691 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 0.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | T661 | T661-G663 PolarHBondContact O-N 3Å; T661-G663 VanDerWaalsContact O-N 3.13Å |
| 664 | K | 96.1 | Very high | 97.5 | Very high | 102 Ų | 102 | 79.9 Ų | 79.9 | 44% | 0.443 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 152.9 | -177.3 | -66.7 | -177.3 | -177.2 | 179.5 | 0 | 111.8 | R660 T661 F662 Q668 | R660-K664 CarbonylContact C-O 3.56Å; R660-K664 WeakPolarHBondContact CA-O 3.4Å; R660-K664 WeakPolarHBondContact CB-O 3.38Å; T661-K664 PolarHBondContact N-O 3.2Å; T661-K664 PolarHBondContact O-N 2.94Å; T661-K664 VanDerWaalsContact O-O 3.09Å; F662-K664 VanDerWaalsContact C-N 3.26Å; F662-K664 PolarHBondContact O-N 2.9Å; K664-Q668 HydrophobicContact CB-CB 4.08Å; K664-Q668 HydrophobicContact CD-CB 4.26Å |
| 665 | N | 97.9 | Very high | 97.5 | Very high | 26 Ų | 26 | 78.9 Ų | 78.9 | 14% | 0.139 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 150.2 | 164 | -69.3 | -22.3 | 0 | 0 | 0 | 109.3 | R659 R660 Y667 Q668 | R659-N665 CarbonylContact O-C 3.57Å; R659-N665 WeakPolarHBondContact O-CA 3.27Å; R660-N665 WeakPolarHBondContact CG-OD1 3.24Å; R660-N665 PolarHBondContact NE-OD1 3.13Å; N665-Y667 VanDerWaalsContact C-N 3.29Å; N665-Y667 HydrophobicContact CB-CD1 3.67Å; N665-Y667 HydrophobicContact CB-CE1 3.33Å; N665-Y667 WeakPolarHBondContact ND2-CE1 3.42Å; N665-Y667 PolarHBondContact ND2-OH 3.02Å; N665-Y667 PolarHBondContact O-N 3.44Å; N665-Q668 HydrophobicContact CB-CG 4.23Å; N665-Q668 WeakPolarHBondContact O-CB 3.42Å; N665-Q668 PolarHBondContact O-N 2.95Å |
| 666 | L | 97.9 | Very high | 97.5 | Very high | 19 Ų | 19 | 78.5 Ų | 78.5 | 10% | 0.099 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -58.2 | -39.5 | -175.1 | -68.9 | -176.6 | 0 | 0 | 0 | 112.8 | A656 R659 T661 Q668 H669 I672 V730 | A656-L666 HydrophobicContact CB-CB 4.25Å; A656-L666 WeakPolarHBondContact O-CB 3.48Å; A656-L666 PolarHBondContact O-N 3.21Å; A656-L666 VanDerWaalsContact O-N 3.16Å; R659-L666 HydrophobicContact CB-CD1 3.73Å; R659-L666 HydrophobicContact CB-CG 3.98Å; R659-L666 PolarHBondContact O-N 3.09Å; T661-L666 HydrophobicContact CG2-CD2 3.87Å; T661-L666 WeakPolarHBondContact OG1-CD2 3.42Å; L666-Q668 PolarHBondContact O-N 3.18Å; L666-Q668 VanDerWaalsContact O-N 3.11Å; L666-H669 WeakPolarHBondContact O-CB 3.29Å; L666-H669 PolarHBondContact O-N 2.88Å; L666-I672 HydrophobicContact CB-CD1 3.78Å; L666-I672 HydrophobicContact CD2-CD1 4.19Å; L666-I672 HydrophobicContact CG-CD1 4.4Å; L666-I672 WeakPolarHBondContact O-CB 3.41Å; L666-I672 WeakPolarHBondContact O-CD1 3.42Å; L666-V730 HydrophobicContact CD1-CG1 4.23Å |
| 667 | Y | 96.8 | Very high | 97.5 | Very high | 101 Ų | 101 | 80.9 Ų | 80.9 | 40% | 0.396 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -64.1 | -15.2 | 177.7 | 71.9 | -95.3 | 0 | 0 | 0 | 114.2 | A656 A657 N665 H669 | A656-Y667 WeakPolarHBondContact O-CD1 3.5Å; A656-Y667 PolarHBondContact O-N 3.48Å; A657-Y667 HydrophobicContact CB-CD1 4.39Å; A657-Y667 HydrophobicContact CB-CE1 4.48Å; N665-Y667 VanDerWaalsContact C-N 3.29Å; N665-Y667 HydrophobicContact CB-CD1 3.67Å; N665-Y667 HydrophobicContact CB-CE1 3.33Å; N665-Y667 WeakPolarHBondContact ND2-CE1 3.42Å; N665-Y667 PolarHBondContact ND2-OH 3.02Å; N665-Y667 PolarHBondContact O-N 3.44Å; Y667-H669 VanDerWaalsContact C-N 3.31Å |
| 668 | Q | 97.3 | Very high | 97.6 | Very high | 88 Ų | 88 | 83.4 Ų | 83.4 | 41% | 0.411 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -86 | -6.8 | 176.8 | -58.2 | 177.8 | -65.3 | 0 | 0 | 112.3 | K664 N665 L666 | K664-Q668 HydrophobicContact CB-CB 4.08Å; K664-Q668 HydrophobicContact CD-CB 4.26Å; N665-Q668 HydrophobicContact CB-CG 4.23Å; N665-Q668 WeakPolarHBondContact O-CB 3.42Å; N665-Q668 PolarHBondContact O-N 2.95Å; L666-Q668 PolarHBondContact O-N 3.18Å; L666-Q668 VanDerWaalsContact O-N 3.11Å |
| 669 | H | 97.8 | Very high | 97.7 | Very high | 49 Ų | 49 | 79.5 Ų | 79.5 | 23% | 0.227 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -82.3 | 116.8 | 164.1 | -63.7 | -64.2 | 0 | 0 | 0 | 107.9 | T661 L666 Y667 V671 I672 A673 | T661-H669 PolarHBondContact O-NE2 3.14Å; T661-H669 VanDerWaalsContact O-NE2 3.17Å; T661-H669 PolarHBondContact OG1-NE2 3.14Å; T661-H669 VanDerWaalsContact OG1-NE2 3.07Å; L666-H669 WeakPolarHBondContact O-CB 3.29Å; L666-H669 PolarHBondContact O-N 2.88Å; Y667-H669 VanDerWaalsContact C-N 3.31Å; H669-V671 PolarHBondContact O-N 2.77Å; H669-V671 VanDerWaalsContact O-N 3.09Å; H669-I672 PolarHBondContact O-N 2.87Å; H669-A673 PolarHBondContact O-N 3.38Å |
| 670 | E | 98.3 | Very high | 97.8 | Very high | 141 Ų | 141 | 77.5 Ų | 77.5 | 66% | 0.659 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -54.1 | -36.4 | -168.5 | -173.8 | 175.1 | -121.9 | 0 | 0 | 113.6 | I672 A673 H674 | E670-I672 VanDerWaalsContact C-N 3.3Å; E670-I672 PolarHBondContact O-N 3.21Å; E670-A673 WeakPolarHBondContact O-CB 3.41Å; E670-A673 PolarHBondContact O-N 2.88Å; E670-A673 VanDerWaalsContact O-N 3.15Å; E670-H674 PolarHBondContact O-N 2.88Å |
| 671 | V | 98.6 | Very high | 97.8 | Very high | 85 Ų | 85 | 73.9 Ų | 73.9 | 52% | 0.515 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.2 | -42.2 | 175.3 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | H669 H674 W675 | H669-V671 PolarHBondContact O-N 2.77Å; H669-V671 VanDerWaalsContact O-N 3.09Å; V671-H674 PolarHBondContact O-N 2.77Å; V671-W675 HydrophobicContact CG1-CD2 4.24Å; V671-W675 HydrophobicContact CG1-CH2 4.11Å; V671-W675 HydrophobicContact CG1-CZ2 3.53Å; V671-W675 VanDerWaalsContact O-CG 3.32Å; V671-W675 PolarHBondContact O-N 3.08Å |
| 672 | I | 98.4 | Very high | 97.9 | Very high | 22 Ų | 22 | 73 Ų | 73 | 11% | 0.113 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -72.4 | -38.2 | 178.8 | -63.4 | -179.9 | 0 | 0 | 0 | 110.2 | A656 L666 H669 E670 H674 W675 I676 V730 | A656-I672 HydrophobicContact CB-CG2 4.13Å; L666-I672 HydrophobicContact CB-CD1 3.78Å; L666-I672 HydrophobicContact CD2-CD1 4.19Å; L666-I672 HydrophobicContact CG-CD1 4.4Å; L666-I672 WeakPolarHBondContact O-CB 3.41Å; L666-I672 WeakPolarHBondContact O-CD1 3.42Å; H669-I672 PolarHBondContact O-N 2.87Å; E670-I672 VanDerWaalsContact C-N 3.3Å; E670-I672 PolarHBondContact O-N 3.21Å; I672-H674 VanDerWaalsContact C-N 3.32Å; I672-H674 PolarHBondContact O-N 2.69Å; I672-W675 HydrophobicContact CG1-CE3 4.29Å; I672-W675 HydrophobicContact CG1-CZ3 4.34Å; I672-W675 PolarHBondContact O-N 3.37Å; I672-I676 HydrophobicContact CG2-CD1 4.42Å; I672-I676 WeakPolarHBondContact O-CG1 3.39Å; I672-I676 PolarHBondContact O-N 3.42Å; I672-V730 HydrophobicContact CG2-CG2 4.09Å |
| 673 | A | 97.3 | Very high | 98 | Very high | 37 Ų | 37 | 63.7 Ų | 63.7 | 31% | 0.306 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H669 E670 I676 A677 | H669-A673 PolarHBondContact O-N 3.38Å; E670-A673 WeakPolarHBondContact O-CB 3.41Å; E670-A673 PolarHBondContact O-N 2.88Å; E670-A673 VanDerWaalsContact O-N 3.15Å; A673-I676 WeakPolarHBondContact O-CB 3.38Å; A673-I676 PolarHBondContact O-N 2.97Å; A673-A677 PolarHBondContact O-N 2.73Å; A673-A677 VanDerWaalsContact O-N 3.1Å |
| 674 | H | 98.6 | Very high | 98.1 | Very high | 103 Ų | 103 | 62.3 Ų | 62.3 | 48% | 0.477 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 175.4 | -69.1 | 175.2 | 0 | 0 | 0 | 111.9 | E670 V671 I672 I676 A677 E678 | E670-H674 PolarHBondContact O-N 2.88Å; V671-H674 PolarHBondContact O-N 2.77Å; I672-H674 VanDerWaalsContact C-N 3.32Å; I672-H674 PolarHBondContact O-N 2.69Å; H674-I676 VanDerWaalsContact C-N 3.32Å; H674-I676 PolarHBondContact O-N 3.26Å; H674-A677 WeakPolarHBondContact O-CB 3.49Å; H674-A677 PolarHBondContact O-N 3.09Å; H674-A677 VanDerWaalsContact O-N 3.16Å; H674-E678 WeakPolarHBondContact O-CB 3.43Å; H674-E678 WeakPolarHBondContact O-CG 3.47Å; H674-E678 PolarHBondContact O-N 3.37Å |
| 675 | W | 98.7 | Very high | 98.2 | Very high | 80 Ų | 80 | 63.7 Ų | 63.7 | 30% | 0.303 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 175 | -66.1 | -14.4 | 0 | 0 | 0 | 112.8 | V671 I672 A677 E678 C679 Q729 V730 | V671-W675 HydrophobicContact CG1-CD2 4.24Å; V671-W675 HydrophobicContact CG1-CH2 4.11Å; V671-W675 HydrophobicContact CG1-CZ2 3.53Å; V671-W675 VanDerWaalsContact O-CG 3.32Å; V671-W675 PolarHBondContact O-N 3.08Å; I672-W675 HydrophobicContact CG1-CE3 4.29Å; I672-W675 HydrophobicContact CG1-CZ3 4.34Å; I672-W675 PolarHBondContact O-N 3.37Å; W675-A677 VanDerWaalsContact C-N 3.33Å; W675-A677 PolarHBondContact O-N 3.5Å; W675-E678 PolarHBondContact O-N 3.07Å; W675-C679 VanDerWaalsContact O-CB 3.31Å; W675-C679 WeakPolarHBondContact O-CB 3.2Å; W675-C679 PolarHBondContact O-N 3.34Å; W675-C679 PolarHBondContact O-SG 3.48Å; W675-Q729 HydrophobicContact CH2-CG 3.8Å; W675-Q729 HydrophobicContact CZ3-CB 4.23Å; W675-Q729 HydrophobicContact CZ3-CG 3.79Å; W675-V730 HydrophobicContact CE3-CG2 4.11Å; W675-V730 HydrophobicContact CZ3-CG2 4.35Å |
| 676 | I | 98.4 | Very high | 98.2 | Very high | 40 Ų | 40 | 62.9 Ų | 62.9 | 21% | 0.205 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 173.4 | -68.1 | 165.4 | 0 | 0 | 0 | 110.4 | L649 L652 A656 I672 A673 H674 C679 R680 | L649-I676 HydrophobicContact CD1-CG2 4.44Å; L652-I676 HydrophobicContact CD2-CD1 4.02Å; L652-I676 HydrophobicContact CD2-CG1 3.43Å; L652-I676 VanDerWaalsContact CD2-CG1 3.43Å; A656-I676 HydrophobicContact CB-CD1 4.44Å; I672-I676 HydrophobicContact CG2-CD1 4.42Å; I672-I676 WeakPolarHBondContact O-CG1 3.39Å; I672-I676 PolarHBondContact O-N 3.42Å; A673-I676 WeakPolarHBondContact O-CB 3.38Å; A673-I676 PolarHBondContact O-N 2.97Å; H674-I676 VanDerWaalsContact C-N 3.32Å; H674-I676 PolarHBondContact O-N 3.26Å; I676-C679 PolarHBondContact O-N 3.44Å; I676-R680 PolarHBondContact O-N 3.1Å |
| 677 | A | 98.3 | Very high | 98.2 | Very high | 52 Ų | 52 | 63 Ų | 63 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.7 | -49.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A673 H674 W675 C679 R680 L681 | A673-A677 PolarHBondContact O-N 2.73Å; A673-A677 VanDerWaalsContact O-N 3.1Å; H674-A677 WeakPolarHBondContact O-CB 3.49Å; H674-A677 PolarHBondContact O-N 3.09Å; H674-A677 VanDerWaalsContact O-N 3.16Å; W675-A677 VanDerWaalsContact C-N 3.33Å; W675-A677 PolarHBondContact O-N 3.5Å; A677-C679 PolarHBondContact O-N 3.1Å; A677-R680 PolarHBondContact O-N 3.39Å; A677-L681 WeakPolarHBondContact O-CG 3.14Å; A677-L681 PolarHBondContact O-N 2.96Å |
| 678 | E | 98.7 | Very high | 98.2 | Very high | 105 Ų | 105 | 61.3 Ų | 61.3 | 49% | 0.491 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 177.7 | -72.5 | -65.2 | 166.5 | 0 | 0 | 112 | H674 W675 R680 L681 M682 | H674-E678 WeakPolarHBondContact O-CB 3.43Å; H674-E678 WeakPolarHBondContact O-CG 3.47Å; H674-E678 PolarHBondContact O-N 3.37Å; W675-E678 PolarHBondContact O-N 3.07Å; E678-R680 PolarHBondContact O-N 3.45Å; E678-L681 PolarHBondContact O-N 3.02Å; E678-M682 HydrophobicContact CB-CE 4.46Å; E678-M682 WeakPolarHBondContact O-CE 3.42Å; E678-M682 WeakPolarHBondContact O-CG 3.32Å; E678-M682 PolarHBondContact O-N 2.97Å |
| 679 | C | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 174.7 | -73.9 | 0 | 0 | 0 | 0 | 111.5 | L649 W675 I676 A677 L681 M682 I683 V723 | L649-C679 HydrophobicContact CD1-CB 3.81Å; L649-C679 HydrophobicContact CD2-CB 4.45Å; W675-C679 VanDerWaalsContact O-CB 3.31Å; W675-C679 WeakPolarHBondContact O-CB 3.2Å; W675-C679 PolarHBondContact O-N 3.34Å; W675-C679 PolarHBondContact O-SG 3.48Å; I676-C679 PolarHBondContact O-N 3.44Å; A677-C679 PolarHBondContact O-N 3.1Å; C679-L681 PolarHBondContact O-N 3.43Å; C679-M682 PolarHBondContact O-N 2.99Å; C679-I683 WeakPolarHBondContact O-CB 3.4Å; C679-I683 WeakPolarHBondContact O-CD1 3.17Å; C679-I683 WeakPolarHBondContact O-CG1 3.4Å; C679-I683 PolarHBondContact O-N 3.3Å; C679-V723 HydrophobicContact CB-CG1 4.27Å; C679-V723 HydrophobicContact CB-CG2 4.1Å |
| 680 | R | 98.7 | Very high | 98.2 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 34% | 0.34 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 176.4 | 176 | 52.6 | 59.4 | -164.7 | -10.2 | 111.6 | E646 L649 I676 A677 E678 I683 E684 | E646-R680 IonicContact OE1-CZ 2.77Å; E646-R680 IonicContact OE1-NH1 3.08Å; E646-R680 PolarHBondContact OE1-NH1 3.23Å; E646-R680 IonicContact OE1-NH2 3.86Å; E646-R680 PolarHBondContact OE1-NH2 3.22Å; E646-R680 IonicContact OE2-CZ 2.83Å; E646-R680 IonicContact OE2-NH1 3.79Å; E646-R680 IonicContact OE2-NH2 3.9Å; E646-R680 PolarHBondContact OE2-NH2 3.49Å; L649-R680 HydrophobicContact CD2-CB 4.44Å; I676-R680 PolarHBondContact O-N 3.1Å; A677-R680 PolarHBondContact O-N 3.39Å; E678-R680 PolarHBondContact O-N 3.45Å; R680-I683 PolarHBondContact O-N 3.02Å; R680-E684 IonicContact CZ-OE1 3.59Å; R680-E684 IonicContact NH1-OE1 3.06Å; R680-E684 PolarHBondContact NH1-OE1 3.21Å; R680-E684 WeakPolarHBondContact O-CG 3.24Å; R680-E684 PolarHBondContact O-N 3.28Å |
| 681 | L | 98 | Very high | 98.2 | Very high | 92 Ų | 92 | 50.4 Ų | 50.4 | 48% | 0.482 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.7 | -51.4 | 177.4 | -69 | 174.1 | 0 | 0 | 0 | 111.7 | A677 E678 C679 I683 E684 Q685 | A677-L681 WeakPolarHBondContact O-CG 3.14Å; A677-L681 PolarHBondContact O-N 2.96Å; E678-L681 PolarHBondContact O-N 3.02Å; C679-L681 PolarHBondContact O-N 3.43Å; L681-I683 VanDerWaalsContact C-N 3.33Å; L681-I683 PolarHBondContact O-N 2.99Å; L681-E684 PolarHBondContact O-N 3.11Å; L681-Q685 WeakPolarHBondContact O-CB 3.38Å; L681-Q685 VanDerWaalsContact O-CG 3.29Å; L681-Q685 WeakPolarHBondContact O-CG 3.35Å; L681-Q685 PolarHBondContact O-N 3.35Å |
| 682 | M | 98.6 | Very high | 97.9 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 19% | 0.192 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -41 | -179 | -69.7 | -175.2 | -73.3 | 0 | 0 | 112.1 | E678 C679 T686 M719 K722 V723 | E678-M682 HydrophobicContact CB-CE 4.46Å; E678-M682 WeakPolarHBondContact O-CE 3.42Å; E678-M682 WeakPolarHBondContact O-CG 3.32Å; E678-M682 PolarHBondContact O-N 2.97Å; C679-M682 PolarHBondContact O-N 2.99Å; M682-T686 VanDerWaalsContact O-CB 3.25Å; M682-T686 WeakPolarHBondContact O-CB 3.43Å; M682-T686 PolarHBondContact O-N 3.39Å; M682-T686 PolarHBondContact O-OG1 3.47Å; M682-M719 HydrophobicContact CB-CG 3.75Å; M682-K722 HydrophobicContact CE-CB 4.3Å; M682-K722 HydrophobicContact CE-CG 3.79Å; M682-K722 HydrophobicContact SD-CB 4.28Å; M682-K722 HydrophobicContact SD-CG 4.04Å; M682-V723 HydrophobicContact CE-CG2 4.11Å |
| 683 | I | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.5 | -48.8 | 177.9 | -70.7 | 167.8 | 0 | 0 | 0 | 110.5 | V642 A645 E646 L649 C679 R680 L681 T686 R687 M719 V723 | V642-I683 HydrophobicContact CG1-CG2 4.28Å; A645-I683 HydrophobicContact CB-CD1 4.04Å; A645-I683 HydrophobicContact CB-CG1 3.84Å; E646-I683 HydrophobicContact CG-CG2 4.15Å; E646-I683 WeakPolarHBondContact OE1-CG2 3.37Å; L649-I683 HydrophobicContact CB-CD1 4.06Å; L649-I683 HydrophobicContact CD2-CD1 3.72Å; C679-I683 WeakPolarHBondContact O-CB 3.4Å; C679-I683 WeakPolarHBondContact O-CD1 3.17Å; C679-I683 WeakPolarHBondContact O-CG1 3.4Å; C679-I683 PolarHBondContact O-N 3.3Å; R680-I683 PolarHBondContact O-N 3.02Å; L681-I683 VanDerWaalsContact C-N 3.33Å; L681-I683 PolarHBondContact O-N 2.99Å; I683-T686 PolarHBondContact O-N 3.31Å; I683-R687 VanDerWaalsContact O-CB 3.29Å; I683-R687 WeakPolarHBondContact O-CB 3.45Å; I683-R687 PolarHBondContact O-N 2.89Å; I683-M719 HydrophobicContact CG1-SD 3.85Å; I683-V723 HydrophobicContact CD1-CG1 4.23Å; I683-V723 HydrophobicContact CD1-CG2 4.34Å; I683-V723 HydrophobicContact CG1-CG2 4.11Å |
| 684 | E | 98 | Very high | 97.6 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 17% | 0.173 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.1 | -44.5 | -179 | -66.4 | -60 | 158.5 | 0 | 0 | 112.5 | K370 R680 L681 T686 R687 L688 | K370-E684 IonicContact NZ-OE1 3.87Å; K370-E684 PolarHBondContact NZ-OE1 2.97Å; K370-E684 IonicContact NZ-OE2 2.98Å; K370-E684 PolarHBondContact NZ-OE2 3.04Å; R680-E684 IonicContact CZ-OE1 3.59Å; R680-E684 IonicContact NH1-OE1 3.06Å; R680-E684 PolarHBondContact NH1-OE1 3.21Å; R680-E684 WeakPolarHBondContact O-CG 3.24Å; R680-E684 PolarHBondContact O-N 3.28Å; L681-E684 PolarHBondContact O-N 3.11Å; E684-T686 VanDerWaalsContact C-N 3.3Å; E684-T686 PolarHBondContact O-N 3.08Å; E684-R687 PolarHBondContact O-N 3.2Å; E684-R687 IonicContact OE1-NH1 3.62Å; E684-R687 PolarHBondContact OE1-NH1 2.93Å; E684-R687 IonicContact OE2-NH1 2.78Å; E684-R687 PolarHBondContact OE2-NH1 3.36Å; E684-R687 VanDerWaalsContact OE2-NH1 3.09Å; E684-L688 WeakPolarHBondContact O-CG 3.2Å; E684-L688 PolarHBondContact O-N 3.42Å |
| 685 | Q | 98.2 | Very high | 97.2 | Very high | 131 Ų | 131 | 45 Ų | 45 | 61% | 0.612 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -58.1 | -45.5 | 176.5 | -72.6 | 172.6 | -8.5 | 0 | 0 | 111.3 | L681 L689 | L681-Q685 WeakPolarHBondContact O-CB 3.38Å; L681-Q685 VanDerWaalsContact O-CG 3.29Å; L681-Q685 WeakPolarHBondContact O-CG 3.35Å; L681-Q685 PolarHBondContact O-N 3.35Å; Q685-L689 WeakPolarHBondContact O-CB 3.4Å; Q685-L689 PolarHBondContact O-N 3.17Å; Q685-L689 VanDerWaalsContact O-N 3.08Å |
| 686 | T | 98.6 | Very high | 96.7 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70 | -41.8 | -179.8 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | V642 M682 I683 E684 L688 L689 T690 I712 A716 M719 | V642-T686 HydrophobicContact CG2-CG2 4.24Å; M682-T686 VanDerWaalsContact O-CB 3.25Å; M682-T686 WeakPolarHBondContact O-CB 3.43Å; M682-T686 PolarHBondContact O-N 3.39Å; M682-T686 PolarHBondContact O-OG1 3.47Å; I683-T686 PolarHBondContact O-N 3.31Å; E684-T686 VanDerWaalsContact C-N 3.3Å; E684-T686 PolarHBondContact O-N 3.08Å; T686-L688 PolarHBondContact O-N 2.84Å; T686-L689 PolarHBondContact O-N 3.39Å; T686-T690 PolarHBondContact O-N 2.92Å; T686-T690 PolarHBondContact O-OG1 3.02Å; T686-I712 HydrophobicContact CG2-CD1 3.71Å; T686-I712 WeakPolarHBondContact O-CD1 3.3Å; T686-A716 HydrophobicContact CG2-CB 3.77Å; T686-M719 HydrophobicContact CG2-CB 4.37Å; T686-M719 HydrophobicContact CG2-CE 3.71Å; T686-M719 WeakPolarHBondContact OG1-CB 3.27Å; T686-M719 WeakPolarHBondContact OG1-CG 3.45Å |
| 687 | R | 98.4 | Very high | 96.2 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 9% | 0.087 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.9 | -50.5 | 175.4 | 179.7 | -178 | -67.5 | 108.1 | 3.2 | 110.9 | E455 V642 E646 I683 E684 L689 T690 L691 | E455-R687 IonicContact OE1-CZ 3.88Å; E455-R687 VanDerWaalsContact OE1-CZ 3.24Å; E455-R687 IonicContact OE1-NE 3.62Å; E455-R687 PolarHBondContact OE1-NE 3.34Å; E455-R687 IonicContact OE1-NH2 2.95Å; E455-R687 PolarHBondContact OE1-NH2 2.87Å; E455-R687 IonicContact OE2-NE 3.62Å; E455-R687 PolarHBondContact OE2-NE 2.91Å; V642-R687 HydrophobicContact CG1-CB 4.01Å; V642-R687 HydrophobicContact CG1-CG 4.34Å; E646-R687 VanDerWaalsContact CG-NH2 3.31Å; E646-R687 IonicContact OE1-CZ 2.95Å; E646-R687 IonicContact OE1-NH1 3.05Å; E646-R687 IonicContact OE1-NH2 3.62Å; E646-R687 PolarHBondContact OE1-NH2 3.46Å; I683-R687 VanDerWaalsContact O-CB 3.29Å; I683-R687 WeakPolarHBondContact O-CB 3.45Å; I683-R687 PolarHBondContact O-N 2.89Å; E684-R687 PolarHBondContact O-N 3.2Å; E684-R687 IonicContact OE1-NH1 3.62Å; E684-R687 PolarHBondContact OE1-NH1 2.93Å; E684-R687 IonicContact OE2-NH1 2.78Å; E684-R687 PolarHBondContact OE2-NH1 3.36Å; E684-R687 VanDerWaalsContact OE2-NH1 3.09Å; R687-L689 VanDerWaalsContact C-N 3.29Å; R687-L689 PolarHBondContact O-N 3.27Å; R687-T690 WeakPolarHBondContact O-CB 3.48Å; R687-T690 PolarHBondContact O-N 3.14Å; R687-T690 VanDerWaalsContact O-N 3.13Å; R687-L691 HydrophobicContact CG-CD1 3.93Å; R687-L691 HydrophobicContact CG-CG 4.34Å; R687-L691 VanDerWaalsContact O-CG 3.28Å; R687-L691 WeakPolarHBondContact O-CG 3.34Å; R687-L691 PolarHBondContact O-N 3.3Å |
| 688 | L | 97.1 | Very high | 95.5 | Very high | 65 Ų | 65 | 40.9 Ų | 40.9 | 34% | 0.34 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.1 | -38.1 | 179.3 | -69.3 | 176 | 0 | 0 | 0 | 111.9 | L373 F374 E684 T686 L691 S692 | L373-L688 HydrophobicContact CD1-CD1 4.18Å; L373-L688 HydrophobicContact CD1-CD2 3.91Å; F374-L688 HydrophobicContact CD2-CD2 4.47Å; F374-L688 HydrophobicContact CE2-CD2 4.36Å; F374-L688 WeakPolarHBondContact CE2-O 3.31Å; E684-L688 WeakPolarHBondContact O-CG 3.2Å; E684-L688 PolarHBondContact O-N 3.42Å; T686-L688 PolarHBondContact O-N 2.84Å; L688-L691 PolarHBondContact O-N 2.81Å; L688-S692 VanDerWaalsContact O-CB 3.3Å; L688-S692 WeakPolarHBondContact O-CB 3.17Å; L688-S692 PolarHBondContact O-N 3.04Å |
| 689 | L | 97.4 | Very high | 94.6 | Very high | 40 Ų | 40 | 39 Ų | 39 | 21% | 0.209 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.6 | -37.4 | 174.4 | -178.3 | 62.6 | 0 | 0 | 0 | 112.3 | Q685 T686 R687 S692 A693 M711 I712 A715 | Q685-L689 WeakPolarHBondContact O-CB 3.4Å; Q685-L689 PolarHBondContact O-N 3.17Å; Q685-L689 VanDerWaalsContact O-N 3.08Å; T686-L689 PolarHBondContact O-N 3.39Å; R687-L689 VanDerWaalsContact C-N 3.29Å; R687-L689 PolarHBondContact O-N 3.27Å; L689-S692 PolarHBondContact O-N 3.01Å; L689-A693 PolarHBondContact O-N 3Å; L689-M711 HydrophobicContact CD1-CB 4.5Å; L689-M711 HydrophobicContact CD1-CE 4.12Å; L689-M711 HydrophobicContact CD2-CB 4.4Å; L689-I712 HydrophobicContact CB-CD1 3.91Å; L689-I712 HydrophobicContact CD2-CB 4.33Å; L689-I712 HydrophobicContact CD2-CD1 3.89Å; L689-I712 HydrophobicContact CG-CB 4.1Å; L689-I712 HydrophobicContact CG-CD1 3.79Å; L689-I712 HydrophobicContact CG-CG1 4.47Å; L689-A715 HydrophobicContact CD2-CB 3.74Å |
| 690 | T | 97.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.5 | -49.3 | 173.2 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | L635 C638 M639 T686 R687 S692 A693 A694 I712 | L635-T690 HydrophobicContact CD1-CG2 4.05Å; C638-T690 HydrophobicContact CB-CG2 4.49Å; M639-T690 HydrophobicContact CB-CG2 4.34Å; M639-T690 HydrophobicContact CG-CG2 3.57Å; T686-T690 PolarHBondContact O-N 2.92Å; T686-T690 PolarHBondContact O-OG1 3.02Å; R687-T690 WeakPolarHBondContact O-CB 3.48Å; R687-T690 PolarHBondContact O-N 3.14Å; R687-T690 VanDerWaalsContact O-N 3.13Å; T690-S692 VanDerWaalsContact C-N 3.3Å; T690-S692 PolarHBondContact O-N 3.03Å; T690-A693 PolarHBondContact O-N 3.43Å; T690-A694 PolarHBondContact O-N 3.28Å; T690-I712 WeakPolarHBondContact OG1-CD1 2.96Å; T690-I712 WeakPolarHBondContact OG1-CG1 3.24Å |
| 691 | L | 96.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64 | -37.2 | 179.3 | -64.2 | 172.1 | 0 | 0 | 0 | 111.5 | F374 L448 A451 Y452 R687 L688 A694 H695 | F374-L691 HydrophobicContact CB-CB 3.93Å; F374-L691 HydrophobicContact CD2-CB 3.24Å; F374-L691 HydrophobicContact CD2-CD1 4.07Å; F374-L691 HydrophobicContact CD2-CG 4.31Å; F374-L691 HydrophobicContact CE2-CB 3.9Å; F374-L691 HydrophobicContact CG-CB 3.63Å; L448-L691 HydrophobicContact CD1-CB 4.12Å; L448-L691 HydrophobicContact CD1-CD2 3.71Å; A451-L691 HydrophobicContact CB-CD2 3.79Å; Y452-L691 HydrophobicContact CD1-CD2 4.29Å; Y452-L691 HydrophobicContact CD2-CD2 3.85Å; Y452-L691 HydrophobicContact CE1-CD1 3.85Å; Y452-L691 HydrophobicContact CE1-CD2 3.93Å; Y452-L691 HydrophobicContact CE2-CD1 4.39Å; Y452-L691 HydrophobicContact CE2-CD2 3.46Å; Y452-L691 VanDerWaalsContact CE2-CD2 3.46Å; Y452-L691 HydrophobicContact CG-CD2 4.27Å; Y452-L691 WeakPolarHBondContact OH-CD1 3.42Å; R687-L691 HydrophobicContact CG-CD1 3.93Å; R687-L691 HydrophobicContact CG-CG 4.34Å; R687-L691 VanDerWaalsContact O-CG 3.28Å; R687-L691 WeakPolarHBondContact O-CG 3.34Å; R687-L691 PolarHBondContact O-N 3.3Å; L688-L691 PolarHBondContact O-N 2.81Å; L691-A694 PolarHBondContact O-N 3.22Å; L691-H695 WeakPolarHBondContact O-CB 3.47Å; L691-H695 PolarHBondContact O-N 3.26Å |
| 692 | S | 94.3 | Very high | 91.9 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 172.6 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | F374 L688 L689 T690 H695 A696 | F374-S692 VanDerWaalsContact CE1-CA 3.46Å; F374-S692 VanDerWaalsContact CZ-CB 3.42Å; L688-S692 VanDerWaalsContact O-CB 3.3Å; L688-S692 WeakPolarHBondContact O-CB 3.17Å; L688-S692 PolarHBondContact O-N 3.04Å; L689-S692 PolarHBondContact O-N 3.01Å; T690-S692 VanDerWaalsContact C-N 3.3Å; T690-S692 PolarHBondContact O-N 3.03Å; S692-H695 PolarHBondContact O-N 2.88Å; S692-A696 WeakPolarHBondContact O-CB 3.24Å; S692-A696 PolarHBondContact O-N 3.28Å |
| 693 | A | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -38.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L635 L689 T690 L697 Q708 I712 | L635-A693 HydrophobicContact CD1-CB 3.78Å; L689-A693 PolarHBondContact O-N 3Å; T690-A693 PolarHBondContact O-N 3.43Å; A693-L697 WeakPolarHBondContact O-CB 3.25Å; A693-L697 PolarHBondContact O-N 3.06Å; A693-Q708 HydrophobicContact CB-CB 3.93Å; A693-I712 HydrophobicContact CB-CG2 4.02Å |
| 694 | A | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.3 | -47.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q447 L448 A451 L635 M639 T690 L691 A696 L697 D698 | Q447-A694 HydrophobicContact CB-CB 4.44Å; L448-A694 HydrophobicContact CB-CB 4.43Å; L448-A694 HydrophobicContact CD1-CB 4.46Å; A451-A694 HydrophobicContact CB-CB 4.1Å; L635-A694 HydrophobicContact CD2-CB 3.97Å; M639-A694 HydrophobicContact CE-CB 4.13Å; T690-A694 PolarHBondContact O-N 3.28Å; L691-A694 PolarHBondContact O-N 3.22Å; A694-A696 PolarHBondContact O-N 3.14Å; A694-L697 WeakPolarHBondContact O-CB 3.47Å; A694-L697 PolarHBondContact O-N 3.02Å; A694-L697 VanDerWaalsContact O-N 3.11Å; A694-D698 PolarHBondContact O-N 3.13Å |
| 695 | H | 90 | Very high | 89.3 | Confident | 90 Ų | 90 | 47.5 Ų | 47.5 | 42% | 0.417 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 176.2 | -179.4 | 71.2 | 0 | 0 | 0 | 112.3 | F374 L448 L691 S692 L697 D698 A699 | F374-H695 HydrophobicContact CD1-CB 3.65Å; F374-H695 AromaticContact CD1-CG 3.99Å; F374-H695 HydrophobicContact CE1-CB 4.07Å; L448-H695 HydrophobicContact CD2-CB 4.49Å; L691-H695 WeakPolarHBondContact O-CB 3.47Å; L691-H695 PolarHBondContact O-N 3.26Å; S692-H695 PolarHBondContact O-N 2.88Å; H695-L697 VanDerWaalsContact C-N 3.27Å; H695-L697 PolarHBondContact O-N 3.36Å; H695-D698 PolarHBondContact O-N 3.49Å; H695-A699 WeakPolarHBondContact O-CB 3.37Å; H695-A699 PolarHBondContact O-N 2.86Å |
| 696 | A | 87.4 | Confident | 88.9 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -35.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S692 A694 L700 A705 Q708 | S692-A696 WeakPolarHBondContact O-CB 3.24Å; S692-A696 PolarHBondContact O-N 3.28Å; A694-A696 PolarHBondContact O-N 3.14Å; A696-L700 VanDerWaalsContact O-CB 3.32Å; A696-L700 WeakPolarHBondContact O-CB 3.39Å; A696-L700 PolarHBondContact O-N 2.83Å; A696-A705 HydrophobicContact CB-CB 4.11Å; A696-Q708 HydrophobicContact CB-CG 4.31Å |
| 697 | L | 87.3 | Confident | 88.6 | Confident | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.8 | -43.6 | 176 | -179.7 | 60.2 | 0 | 0 | 0 | 111.5 | Q447 L635 A693 A694 H695 G701 A705 | Q447-L697 HydrophobicContact CB-CD2 4.22Å; Q447-L697 HydrophobicContact CG-CD2 3.73Å; Q447-L697 HydrophobicContact CG-CG 4.15Å; L635-L697 HydrophobicContact CD2-CD2 3.93Å; A693-L697 WeakPolarHBondContact O-CB 3.25Å; A693-L697 PolarHBondContact O-N 3.06Å; A694-L697 WeakPolarHBondContact O-CB 3.47Å; A694-L697 PolarHBondContact O-N 3.02Å; A694-L697 VanDerWaalsContact O-N 3.11Å; H695-L697 VanDerWaalsContact C-N 3.27Å; H695-L697 PolarHBondContact O-N 3.36Å; L697-G701 WeakPolarHBondContact O-CA 3.3Å; L697-G701 PolarHBondContact O-N 2.9Å; L697-A705 HydrophobicContact CB-CB 4.24Å; L697-A705 HydrophobicContact CD1-CB 4.49Å |
| 698 | D | 84.9 | Confident | 88.5 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | 176 | -70.5 | -38.2 | 0 | 0 | 0 | 112 | T446 Q447 L448 A694 H695 | T446-D698 WeakPolarHBondContact CB-OD2 3.46Å; Q447-D698 VanDerWaalsContact CB-OD1 3.31Å; Q447-D698 WeakPolarHBondContact CB-OD1 3.5Å; Q447-D698 PolarHBondContact N-OD1 2.8Å; Q447-D698 PolarHBondContact N-OD2 2.7Å; L448-D698 WeakPolarHBondContact CB-OD2 3.19Å; L448-D698 PolarHBondContact N-OD2 3.29Å; A694-D698 PolarHBondContact O-N 3.13Å; H695-D698 PolarHBondContact O-N 3.49Å |
| 699 | A | 79.7 | Confident | 88.3 | Confident | 66 Ų | 66 | 46.6 Ų | 46.6 | 55% | 0.545 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -78.7 | -36.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | H695 | H695-A699 WeakPolarHBondContact O-CB 3.37Å; H695-A699 PolarHBondContact O-N 2.86Å |
| 700 | L | 80.9 | Confident | 88.2 | Confident | 111 Ų | 111 | 45 Ų | 45 | 58% | 0.581 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -121.2 | -9.6 | -168.6 | -50.2 | 174.5 | 0 | 0 | 0 | 113.7 | A696 A704 | A696-L700 VanDerWaalsContact O-CB 3.32Å; A696-L700 WeakPolarHBondContact O-CB 3.39Å; A696-L700 PolarHBondContact O-N 2.83Å; L700-A704 HydrophobicContact CB-CB 3.54Å; L700-A704 HydrophobicContact CD1-CB 4.33Å |
| 701 | G | 78.7 | Confident | 88.3 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 32% | 0.32 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | 75.6 | 168.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L697 R703 A704 A705 | L697-G701 WeakPolarHBondContact O-CA 3.3Å; L697-G701 PolarHBondContact O-N 2.9Å; G701-R703 VanDerWaalsContact C-N 3.3Å; G701-R703 PolarHBondContact O-N 2.62Å; G701-R703 VanDerWaalsContact O-N 3.16Å; G701-A704 PolarHBondContact O-N 2.84Å; G701-A705 PolarHBondContact O-N 2.87Å; G701-A705 VanDerWaalsContact O-N 3.13Å |
| 702 | S | 78.5 | Confident | 88.3 | Confident | 29 Ų | 29 | 48 Ų | 48 | 20% | 0.203 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -27.6 | -167.6 | 52.6 | 0 | 0 | 0 | 0 | 115.7 | R628 | R628-S702 PolarHBondContact NH1-OG 2.79Å; R628-S702 VanDerWaalsContact NH1-OG 3.09Å |
| 703 | R | 75.7 | Confident | 88.5 | Confident | 210 Ų | 210 | 46.3 Ų | 46.3 | 79% | 0.792 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -71.3 | -43.7 | 179 | -174.6 | 177 | -179.9 | 165.5 | 0.4 | 111.7 | G701 R706 | G701-R703 VanDerWaalsContact C-N 3.3Å; G701-R703 PolarHBondContact O-N 2.62Å; G701-R703 VanDerWaalsContact O-N 3.16Å; R703-R706 WeakPolarHBondContact O-CB 3.47Å |
| 704 | A | 77.5 | Confident | 88.7 | Confident | 55 Ų | 55 | 46.7 Ų | 46.7 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -75.7 | -35.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L700 G701 R706 Q708 | L700-A704 HydrophobicContact CB-CB 3.54Å; L700-A704 HydrophobicContact CD1-CB 4.33Å; G701-A704 PolarHBondContact O-N 2.84Å; A704-R706 PolarHBondContact O-N 2.81Å; A704-Q708 PolarHBondContact O-OE1 3.29Å |
| 705 | A | 87.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 2.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A696 L697 G701 K707 Q708 I709 | A696-A705 HydrophobicContact CB-CB 4.11Å; L697-A705 HydrophobicContact CB-CB 4.24Å; L697-A705 HydrophobicContact CD1-CB 4.49Å; G701-A705 PolarHBondContact O-N 2.87Å; G701-A705 VanDerWaalsContact O-N 3.13Å; A705-K707 VanDerWaalsContact C-N 3.28Å; A705-K707 PolarHBondContact O-N 2.98Å; A705-Q708 PolarHBondContact O-N 3.45Å; A705-Q708 PolarHBondContact O-OE1 3.22Å; A705-I709 HydrophobicContact CB-CD1 4.17Å; A705-I709 WeakPolarHBondContact O-CG1 3.36Å; A705-I709 PolarHBondContact O-N 3.13Å |
| 706 | R | 89.1 | Confident | 89.3 | Confident | 117 Ų | 117 | 44 Ų | 44 | 44% | 0.442 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -56.7 | -38.8 | -173.4 | 178 | 178.5 | -78.3 | -177.3 | -4.3 | 112.9 | Q627 R703 A704 A710 | Q627-R706 VanDerWaalsContact CD-NH2 3.31Å; R703-R706 WeakPolarHBondContact O-CB 3.47Å; A704-R706 PolarHBondContact O-N 2.81Å; R706-A710 WeakPolarHBondContact O-CB 3.21Å; R706-A710 PolarHBondContact O-N 3.24Å; R706-A710 VanDerWaalsContact O-N 3.09Å |
| 707 | K | 93.4 | Very high | 89.8 | Confident | 34 Ų | 34 | 43.7 Ų | 43.7 | 15% | 0.148 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66 | -47.8 | 179.8 | -168.9 | -178.8 | -179.1 | -176.3 | 0 | 110.7 | A705 I709 A710 M711 L769 E770 D773 | A705-K707 VanDerWaalsContact C-N 3.28Å; A705-K707 PolarHBondContact O-N 2.98Å; K707-I709 PolarHBondContact O-N 3.43Å; K707-A710 PolarHBondContact O-N 3.16Å; K707-M711 HydrophobicContact CG-SD 4.46Å; K707-M711 WeakPolarHBondContact O-CG 3.09Å; K707-M711 PolarHBondContact O-N 2.9Å; K707-L769 HydrophobicContact CB-CD1 3.86Å; K707-L769 HydrophobicContact CD-CB 4.13Å; K707-L769 HydrophobicContact CG-CB 4.19Å; K707-L769 HydrophobicContact CG-CD1 4.14Å; K707-E770 VanDerWaalsContact CE-OE2 3.28Å; K707-E770 WeakPolarHBondContact CE-OE2 3.24Å; K707-E770 IonicContact NZ-OE2 2.84Å; K707-E770 PolarHBondContact NZ-OE2 2.96Å; K707-D773 IonicContact NZ-OD2 3.89Å; K707-D773 PolarHBondContact NZ-OD2 2.88Å |
| 708 | Q | 94.5 | Very high | 90.4 | Very high | 53 Ų | 53 | 48 Ų | 48 | 25% | 0.248 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 179.3 | -65 | 83.8 | -16.8 | 0 | 0 | 111.4 | A693 A696 A704 A705 A710 M711 I712 | A693-Q708 HydrophobicContact CB-CB 3.93Å; A696-Q708 HydrophobicContact CB-CG 4.31Å; A704-Q708 PolarHBondContact O-OE1 3.29Å; A705-Q708 PolarHBondContact O-N 3.45Å; A705-Q708 PolarHBondContact O-OE1 3.22Å; Q708-A710 VanDerWaalsContact C-N 3.34Å; Q708-A710 PolarHBondContact O-N 3.47Å; Q708-M711 PolarHBondContact O-N 3.08Å; Q708-I712 WeakPolarHBondContact O-CG2 3.31Å; Q708-I712 PolarHBondContact O-N 2.86Å |
| 709 | I | 94 | Very high | 91 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 176.3 | -66 | 167.2 | 0 | 0 | 0 | 111.1 | R634 A705 K707 I712 K713 | R634-I709 HydrophobicContact CB-CG2 3.89Å; A705-I709 HydrophobicContact CB-CD1 4.17Å; A705-I709 WeakPolarHBondContact O-CG1 3.36Å; A705-I709 PolarHBondContact O-N 3.13Å; K707-I709 PolarHBondContact O-N 3.43Å; I709-I712 WeakPolarHBondContact O-CG2 3.41Å; I709-K713 VanDerWaalsContact O-CB 3.3Å; I709-K713 WeakPolarHBondContact O-CB 3.48Å; I709-K713 PolarHBondContact O-N 3.19Å |
| 710 | A | 95.9 | Very high | 91.9 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 5% | 0.05 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.6 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R706 K707 Q708 K713 V714 H762 I766 | R706-A710 WeakPolarHBondContact O-CB 3.21Å; R706-A710 PolarHBondContact O-N 3.24Å; R706-A710 VanDerWaalsContact O-N 3.09Å; K707-A710 PolarHBondContact O-N 3.16Å; Q708-A710 VanDerWaalsContact C-N 3.34Å; Q708-A710 PolarHBondContact O-N 3.47Å; A710-K713 PolarHBondContact O-N 3.08Å; A710-V714 PolarHBondContact O-N 2.97Å; A710-H762 HydrophobicContact CB-CB 4.36Å; A710-I766 HydrophobicContact CB-CD1 4.2Å; A710-I766 HydrophobicContact CB-CG1 3.79Å |
| 711 | M | 98.3 | Very high | 92.8 | Very high | 73 Ų | 73 | 37.6 Ų | 37.6 | 36% | 0.36 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59 | -50.9 | 176.8 | -72.7 | 175 | 62.8 | 0 | 0 | 111.6 | L689 K707 Q708 K713 V714 A715 I766 | L689-M711 HydrophobicContact CD1-CB 4.5Å; L689-M711 HydrophobicContact CD1-CE 4.12Å; L689-M711 HydrophobicContact CD2-CB 4.4Å; K707-M711 HydrophobicContact CG-SD 4.46Å; K707-M711 WeakPolarHBondContact O-CG 3.09Å; K707-M711 PolarHBondContact O-N 2.9Å; Q708-M711 PolarHBondContact O-N 3.08Å; M711-K713 VanDerWaalsContact C-N 3.32Å; M711-K713 PolarHBondContact O-N 2.91Å; M711-V714 PolarHBondContact O-N 2.93Å; M711-A715 PolarHBondContact O-N 3.46Å; M711-I766 HydrophobicContact CB-CD1 4.39Å; M711-I766 HydrophobicContact CG-CD1 3.9Å; M711-I766 HydrophobicContact CG-CG1 4.05Å; M711-I766 HydrophobicContact CG-CG2 4.3Å |
| 712 | I | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.7 | -34 | -178.2 | -171.1 | 59.8 | 0 | 0 | 0 | 112.3 | L635 C638 T686 L689 T690 A693 Q708 I709 V714 A715 A716 | L635-I712 HydrophobicContact CD1-CG2 4.05Å; C638-I712 HydrophobicContact CB-CG1 3.68Å; C638-I712 HydrophobicContact CB-CG2 4.43Å; T686-I712 HydrophobicContact CG2-CD1 3.71Å; T686-I712 WeakPolarHBondContact O-CD1 3.3Å; L689-I712 HydrophobicContact CB-CD1 3.91Å; L689-I712 HydrophobicContact CD2-CB 4.33Å; L689-I712 HydrophobicContact CD2-CD1 3.89Å; L689-I712 HydrophobicContact CG-CB 4.1Å; L689-I712 HydrophobicContact CG-CD1 3.79Å; L689-I712 HydrophobicContact CG-CG1 4.47Å; T690-I712 WeakPolarHBondContact OG1-CD1 2.96Å; T690-I712 WeakPolarHBondContact OG1-CG1 3.24Å; A693-I712 HydrophobicContact CB-CG2 4.02Å; Q708-I712 WeakPolarHBondContact O-CG2 3.31Å; Q708-I712 PolarHBondContact O-N 2.86Å; I709-I712 WeakPolarHBondContact O-CG2 3.41Å; I712-V714 PolarHBondContact O-N 3.02Å; I712-A715 HydrophobicContact CD1-CB 4.44Å; I712-A715 PolarHBondContact O-N 2.95Å; I712-A716 HydrophobicContact CD1-CB 4.02Å; I712-A716 HydrophobicContact CG1-CB 4.23Å; I712-A716 VanDerWaalsContact O-CB 3.25Å; I712-A716 WeakPolarHBondContact O-CB 3.2Å; I712-A716 PolarHBondContact O-N 2.82Å |
| 713 | K | 98 | Very high | 94.7 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.022 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.8 | -36.8 | 177.5 | -179.2 | 55.2 | 172 | 62.9 | 0 | 112.7 | R634 I709 A710 M711 L752 A755 G757 H762 | R634-K713 HydrophobicContact CB-CD 4.4Å; R634-K713 HydrophobicContact CG-CD 4.23Å; R634-K713 HydrophobicContact CG-CG 4.46Å; I709-K713 VanDerWaalsContact O-CB 3.3Å; I709-K713 WeakPolarHBondContact O-CB 3.48Å; I709-K713 PolarHBondContact O-N 3.19Å; A710-K713 PolarHBondContact O-N 3.08Å; M711-K713 VanDerWaalsContact C-N 3.32Å; M711-K713 PolarHBondContact O-N 2.91Å; K713-L752 PolarHBondContact NZ-O 3.38Å; K713-A755 WeakPolarHBondContact CE-O 3.47Å; K713-A755 PolarHBondContact NZ-O 3.03Å; K713-G757 PolarHBondContact NZ-O 2.76Å; K713-H762 WeakPolarHBondContact CG-NE2 3.26Å |
| 714 | V | 98.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 6% | 0.055 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -78.1 | -49.4 | 175.4 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | A710 M711 I712 R718 D759 H762 L763 | A710-V714 PolarHBondContact O-N 2.97Å; M711-V714 PolarHBondContact O-N 2.93Å; I712-V714 PolarHBondContact O-N 3.02Å; V714-R718 WeakPolarHBondContact O-CG 3.29Å; V714-R718 PolarHBondContact O-N 3.33Å; V714-D759 HydrophobicContact CG1-CB 4.41Å; V714-H762 HydrophobicContact CG2-CB 3.54Å; V714-L763 HydrophobicContact CG1-CD2 4.31Å; V714-L763 HydrophobicContact CG1-CG 4.39Å; V714-L763 HydrophobicContact CG2-CG 4.31Å |
| 715 | A | 98.7 | Very high | 96.8 | Very high | 32 Ų | 32 | 29.7 Ų | 29.7 | 26% | 0.264 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -62.6 | -47.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L689 M711 I712 R718 M719 | L689-A715 HydrophobicContact CD2-CB 3.74Å; M711-A715 PolarHBondContact O-N 3.46Å; I712-A715 HydrophobicContact CD1-CB 4.44Å; I712-A715 PolarHBondContact O-N 2.95Å; A715-R718 PolarHBondContact O-N 3.16Å; A715-M719 VanDerWaalsContact O-CB 3.29Å; A715-M719 WeakPolarHBondContact O-CB 3.45Å; A715-M719 PolarHBondContact O-N 3.11Å |
| 716 | A | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C638 A641 T686 I712 R718 M719 V720 | C638-A716 HydrophobicContact CB-CB 3.81Å; A641-A716 HydrophobicContact CB-CB 4.36Å; T686-A716 HydrophobicContact CG2-CB 3.77Å; I712-A716 HydrophobicContact CD1-CB 4.02Å; I712-A716 HydrophobicContact CG1-CB 4.23Å; I712-A716 VanDerWaalsContact O-CB 3.25Å; I712-A716 WeakPolarHBondContact O-CB 3.2Å; I712-A716 PolarHBondContact O-N 2.82Å; A716-R718 VanDerWaalsContact C-N 3.33Å; A716-R718 PolarHBondContact O-N 3.44Å; A716-M719 PolarHBondContact O-N 3.21Å; A716-V720 WeakPolarHBondContact O-CG1 3.33Å; A716-V720 PolarHBondContact O-N 3.24Å |
| 717 | A | 98.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.017 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.2 | -38.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | C721 L752 R753 | A717-C721 PolarHBondContact O-N 3.17Å; A717-C721 PolarHBondContact O-SG 3.34Å; A717-L752 HydrophobicContact CB-CB 3.95Å; A717-R753 HydrophobicContact CB-CB 4.5Å; A717-R753 HydrophobicContact CB-CG 3.62Å |
| 718 | R | 98.6 | Very high | 98.1 | Very high | 107 Ų | 107 | 23.8 Ų | 23.8 | 40% | 0.404 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -71.2 | -43.2 | 176.1 | -68.9 | 177.7 | 179.8 | -169.4 | -2.6 | 112.3 | V714 A715 A716 C721 K722 D759 | V714-R718 WeakPolarHBondContact O-CG 3.29Å; V714-R718 PolarHBondContact O-N 3.33Å; A715-R718 PolarHBondContact O-N 3.16Å; A716-R718 VanDerWaalsContact C-N 3.33Å; A716-R718 PolarHBondContact O-N 3.44Å; R718-C721 PolarHBondContact O-N 2.86Å; R718-K722 PolarHBondContact O-N 3.28Å; R718-K722 VanDerWaalsContact O-N 3.11Å; R718-D759 IonicContact CZ-OD2 3.92Å; R718-D759 IonicContact NE-OD2 2.72Å; R718-D759 PolarHBondContact NE-OD2 3.21Å; R718-D759 IonicContact NH2-OD2 2.64Å |
| 719 | M | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 27 Ų | 27 | 3% | 0.034 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.8 | -53.7 | 177.5 | 175.3 | -79.9 | -64.5 | 0 | 0 | 110.9 | V642 A645 M682 I683 T686 A715 A716 C721 K722 V723 | V642-M719 HydrophobicContact CG2-CE 4.25Å; A645-M719 HydrophobicContact CB-CE 3.82Å; A645-M719 HydrophobicContact CB-SD 3.38Å; A645-M719 WeakPolarHBondContact CB-SD 3.49Å; M682-M719 HydrophobicContact CB-CG 3.75Å; I683-M719 HydrophobicContact CG1-SD 3.85Å; T686-M719 HydrophobicContact CG2-CB 4.37Å; T686-M719 HydrophobicContact CG2-CE 3.71Å; T686-M719 WeakPolarHBondContact OG1-CB 3.27Å; T686-M719 WeakPolarHBondContact OG1-CG 3.45Å; A715-M719 VanDerWaalsContact O-CB 3.29Å; A715-M719 WeakPolarHBondContact O-CB 3.45Å; A715-M719 PolarHBondContact O-N 3.11Å; A716-M719 PolarHBondContact O-N 3.21Å; M719-C721 VanDerWaalsContact C-N 3.31Å; M719-C721 PolarHBondContact O-N 2.82Å; M719-K722 PolarHBondContact O-N 3.22Å; M719-V723 HydrophobicContact CG-CG2 4.35Å; M719-V723 WeakPolarHBondContact O-CG2 3.38Å; M719-V723 PolarHBondContact O-N 2.61Å; M719-V723 HydrophobicContact SD-CG2 3.86Å |
| 720 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.7 | -37.1 | -175.9 | 66.1 | 0 | 0 | 0 | 0 | 111.6 | A641 C644 A645 A716 K722 V723 V724 A749 L752 | A641-V720 HydrophobicContact CB-CB 4.23Å; A641-V720 HydrophobicContact CB-CG1 4Å; C644-V720 HydrophobicContact CB-CG2 4.03Å; A645-V720 HydrophobicContact CB-CB 4.49Å; A645-V720 HydrophobicContact CB-CG2 4.23Å; A716-V720 WeakPolarHBondContact O-CG1 3.33Å; A716-V720 PolarHBondContact O-N 3.24Å; V720-K722 VanDerWaalsContact C-N 3.32Å; V720-K722 PolarHBondContact O-N 3.36Å; V720-V723 PolarHBondContact O-N 3.11Å; V720-V724 HydrophobicContact CG2-CG2 4.05Å; V720-V724 WeakPolarHBondContact O-CB 3.4Å; V720-V724 WeakPolarHBondContact O-CG2 3.48Å; V720-V724 PolarHBondContact O-N 3.29Å; V720-A749 HydrophobicContact CB-CB 4.35Å; V720-A749 HydrophobicContact CG1-CB 3.64Å; V720-A749 HydrophobicContact CG2-CB 4.06Å; V720-L752 HydrophobicContact CG1-CD1 4.47Å |
| 721 | C | 98.6 | Very high | 98.6 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 9% | 0.088 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57 | -46.7 | 173.3 | -74.1 | 0 | 0 | 0 | 0 | 111.4 | A717 R718 M719 D725 A749 | A717-C721 PolarHBondContact O-N 3.17Å; A717-C721 PolarHBondContact O-SG 3.34Å; R718-C721 PolarHBondContact O-N 2.86Å; M719-C721 VanDerWaalsContact C-N 3.31Å; M719-C721 PolarHBondContact O-N 2.82Å; C721-D725 VanDerWaalsContact O-CB 3.25Å; C721-D725 WeakPolarHBondContact O-CB 3.45Å; C721-D725 PolarHBondContact O-N 3.34Å; C721-A749 PolarHBondContact SG-O 3.3Å; C721-A749 VanDerWaalsContact SG-O 3.38Å |
| 722 | K | 98.9 | Very high | 98.6 | Very high | 99 Ų | 99 | 25.7 Ų | 25.7 | 43% | 0.43 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -70.5 | -42.1 | -175.8 | -175.2 | 59.3 | -176.1 | 165.3 | 0 | 112.3 | M682 R718 M719 V720 D725 C726 | M682-K722 HydrophobicContact CE-CB 4.3Å; M682-K722 HydrophobicContact CE-CG 3.79Å; M682-K722 HydrophobicContact SD-CB 4.28Å; M682-K722 HydrophobicContact SD-CG 4.04Å; R718-K722 PolarHBondContact O-N 3.28Å; R718-K722 VanDerWaalsContact O-N 3.11Å; M719-K722 PolarHBondContact O-N 3.22Å; V720-K722 VanDerWaalsContact C-N 3.32Å; V720-K722 PolarHBondContact O-N 3.36Å; K722-D725 IonicContact NZ-OD2 2.63Å; K722-D725 PolarHBondContact O-N 2.68Å; K722-C726 PolarHBondContact O-N 3.44Å; K722-C726 PolarHBondContact O-SG 3.4Å |
| 723 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.2 | -45.3 | 179.1 | 175 | 0 | 0 | 0 | 0 | 111 | A645 A648 L649 C679 M682 I683 M719 V720 C726 A727 | A645-V723 HydrophobicContact CB-CB 4.25Å; A645-V723 HydrophobicContact CB-CG1 4.15Å; A645-V723 HydrophobicContact CB-CG2 4.41Å; A645-V723 WeakPolarHBondContact O-CG1 3.32Å; A648-V723 HydrophobicContact CB-CG1 4.07Å; L649-V723 HydrophobicContact CB-CG1 4.4Å; C679-V723 HydrophobicContact CB-CG1 4.27Å; C679-V723 HydrophobicContact CB-CG2 4.1Å; M682-V723 HydrophobicContact CE-CG2 4.11Å; I683-V723 HydrophobicContact CD1-CG1 4.23Å; I683-V723 HydrophobicContact CD1-CG2 4.34Å; I683-V723 HydrophobicContact CG1-CG2 4.11Å; M719-V723 HydrophobicContact CG-CG2 4.35Å; M719-V723 WeakPolarHBondContact O-CG2 3.38Å; M719-V723 PolarHBondContact O-N 2.61Å; M719-V723 HydrophobicContact SD-CG2 3.86Å; V720-V723 PolarHBondContact O-N 3.11Å; V723-C726 PolarHBondContact O-N 3.4Å; V723-A727 PolarHBondContact O-N 2.84Å; V723-A727 VanDerWaalsContact O-N 3.07Å |
| 724 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.7 | -41.5 | 178.2 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | A648 V720 C726 A727 I728 L742 M745 Y746 | A648-V724 HydrophobicContact CB-CB 4.49Å; A648-V724 HydrophobicContact CB-CG2 3.84Å; V720-V724 HydrophobicContact CG2-CG2 4.05Å; V720-V724 WeakPolarHBondContact O-CB 3.4Å; V720-V724 WeakPolarHBondContact O-CG2 3.48Å; V720-V724 PolarHBondContact O-N 3.29Å; V724-C726 PolarHBondContact O-N 3.24Å; V724-A727 WeakPolarHBondContact O-CB 3.31Å; V724-A727 PolarHBondContact O-N 2.96Å; V724-A727 VanDerWaalsContact O-N 3.11Å; V724-I728 HydrophobicContact CG1-CD1 4.13Å; V724-I728 HydrophobicContact CG1-CG1 4.41Å; V724-I728 WeakPolarHBondContact O-CG1 3.46Å; V724-I728 PolarHBondContact O-N 3.15Å; V724-L742 WeakPolarHBondContact CG1-O 3.19Å; V724-M745 HydrophobicContact CG1-CB 3.96Å; V724-M745 HydrophobicContact CG2-CB 4.11Å; V724-M745 HydrophobicContact CG2-CE 4.41Å; V724-Y746 HydrophobicContact CG1-CD2 4.37Å |
| 725 | D | 98.9 | Very high | 98.6 | Very high | 61 Ų | 61 | 29.2 Ų | 29.2 | 33% | 0.326 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 175.8 | -177.7 | 65.9 | 0 | 0 | 0 | 112.6 | C721 K722 A727 I728 Q729 Y746 | C721-D725 VanDerWaalsContact O-CB 3.25Å; C721-D725 WeakPolarHBondContact O-CB 3.45Å; C721-D725 PolarHBondContact O-N 3.34Å; K722-D725 IonicContact NZ-OD2 2.63Å; K722-D725 PolarHBondContact O-N 2.68Å; D725-A727 VanDerWaalsContact C-N 3.3Å; D725-A727 PolarHBondContact O-N 3.5Å; D725-I728 WeakPolarHBondContact O-CB 3.46Å; D725-I728 PolarHBondContact O-N 3.05Å; D725-Q729 PolarHBondContact O-N 3.39Å; D725-Y746 HydrophobicContact CB-CD2 4.45Å; D725-Y746 HydrophobicContact CB-CE2 4.12Å |
| 726 | C | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.2 | -41.7 | 172.5 | -69.8 | 0 | 0 | 0 | 0 | 111.9 | L652 K722 V723 V724 Q729 V730 | L652-C726 HydrophobicContact CD1-CB 3.93Å; K722-C726 PolarHBondContact O-N 3.44Å; K722-C726 PolarHBondContact O-SG 3.4Å; V723-C726 PolarHBondContact O-N 3.4Å; V724-C726 PolarHBondContact O-N 3.24Å; C726-Q729 PolarHBondContact O-N 3.15Å; C726-V730 WeakPolarHBondContact O-CG2 3.4Å; C726-V730 PolarHBondContact O-N 3.46Å |
| 727 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.6 | -41.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A648 L652 V723 V724 D725 Q729 V730 H731 L742 | A648-A727 HydrophobicContact CB-CB 4.22Å; A648-A727 WeakPolarHBondContact O-CB 3.3Å; L652-A727 HydrophobicContact CB-CB 3.9Å; L652-A727 HydrophobicContact CD1-CB 4.31Å; L652-A727 HydrophobicContact CG-CB 4.4Å; V723-A727 PolarHBondContact O-N 2.84Å; V723-A727 VanDerWaalsContact O-N 3.07Å; V724-A727 WeakPolarHBondContact O-CB 3.31Å; V724-A727 PolarHBondContact O-N 2.96Å; V724-A727 VanDerWaalsContact O-N 3.11Å; D725-A727 VanDerWaalsContact C-N 3.3Å; D725-A727 PolarHBondContact O-N 3.5Å; A727-Q729 VanDerWaalsContact C-N 3.33Å; A727-Q729 PolarHBondContact O-N 2.81Å; A727-V730 PolarHBondContact O-N 3.34Å; A727-H731 PolarHBondContact O-N 2.79Å; A727-H731 VanDerWaalsContact O-N 3.12Å; A727-H731 PolarHBondContact O-ND1 2.73Å; A727-L742 HydrophobicContact CB-CD1 4.26Å; A727-L742 HydrophobicContact CB-CD2 3.68Å |
| 728 | I | 98.9 | Very high | 98.1 | Very high | 21 Ų | 21 | 37.9 Ų | 37.9 | 11% | 0.108 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.7 | -50 | 172.8 | -70.9 | 172.5 | 0 | 0 | 0 | 109.6 | V724 D725 V730 H731 G732 V736 L742 Y746 | V724-I728 HydrophobicContact CG1-CD1 4.13Å; V724-I728 HydrophobicContact CG1-CG1 4.41Å; V724-I728 WeakPolarHBondContact O-CG1 3.46Å; V724-I728 PolarHBondContact O-N 3.15Å; D725-I728 WeakPolarHBondContact O-CB 3.46Å; D725-I728 PolarHBondContact O-N 3.05Å; I728-V730 VanDerWaalsContact C-N 3.32Å; I728-V730 PolarHBondContact O-N 2.93Å; I728-H731 WeakPolarHBondContact O-CA 3.36Å; I728-H731 PolarHBondContact O-N 3.01Å; I728-G732 PolarHBondContact O-N 2.84Å; I728-G732 VanDerWaalsContact O-N 3.15Å; I728-V736 HydrophobicContact CG2-CG1 3.75Å; I728-L742 HydrophobicContact CD1-CB 4.45Å; I728-L742 HydrophobicContact CG1-CB 3.67Å; I728-L742 HydrophobicContact CG1-CD1 4.46Å; I728-Y746 HydrophobicContact CD1-CD2 4.39Å; I728-Y746 HydrophobicContact CD1-CG 4.27Å |
| 729 | Q | 98.8 | Very high | 97.7 | Very high | 119 Ų | 119 | 39.4 Ų | 39.4 | 56% | 0.556 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -60.4 | -41.3 | -177.5 | -168.2 | 63.1 | 24.1 | 0 | 0 | 112.2 | W675 D725 C726 A727 H731 G732 | W675-Q729 HydrophobicContact CH2-CG 3.8Å; W675-Q729 HydrophobicContact CZ3-CB 4.23Å; W675-Q729 HydrophobicContact CZ3-CG 3.79Å; D725-Q729 PolarHBondContact O-N 3.39Å; C726-Q729 PolarHBondContact O-N 3.15Å; A727-Q729 VanDerWaalsContact C-N 3.33Å; A727-Q729 PolarHBondContact O-N 2.81Å; Q729-H731 VanDerWaalsContact C-N 3.27Å; Q729-H731 PolarHBondContact O-N 3.02Å; Q729-G732 PolarHBondContact O-N 3.44Å; Q729-G732 VanDerWaalsContact O-N 3.13Å |
| 730 | V | 98.7 | Very high | 97.5 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.5 | -27.2 | 176.6 | 172.2 | 0 | 0 | 0 | 0 | 112.2 | L652 R655 A656 L666 I672 W675 C726 A727 I728 G732 | L652-V730 HydrophobicContact CD1-CG2 4.45Å; L652-V730 HydrophobicContact CD2-CG1 4.4Å; L652-V730 HydrophobicContact CD2-CG2 4.07Å; L652-V730 HydrophobicContact CG-CB 4.15Å; L652-V730 HydrophobicContact CG-CG1 4.38Å; L652-V730 HydrophobicContact CG-CG2 3.93Å; R655-V730 HydrophobicContact CB-CG1 4.17Å; R655-V730 HydrophobicContact CG-CG1 4.1Å; A656-V730 HydrophobicContact CB-CG1 4.1Å; L666-V730 HydrophobicContact CD1-CG1 4.23Å; I672-V730 HydrophobicContact CG2-CG2 4.09Å; W675-V730 HydrophobicContact CE3-CG2 4.11Å; W675-V730 HydrophobicContact CZ3-CG2 4.35Å; C726-V730 WeakPolarHBondContact O-CG2 3.4Å; C726-V730 PolarHBondContact O-N 3.46Å; A727-V730 PolarHBondContact O-N 3.34Å; I728-V730 VanDerWaalsContact C-N 3.32Å; I728-V730 PolarHBondContact O-N 2.93Å; V730-G732 VanDerWaalsContact C-N 3.33Å |
| 731 | H | 98.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -79.1 | -14.3 | 173.3 | -75.5 | 70.1 | 0 | 0 | 0 | 113.7 | L651 R655 A727 I728 Q729 A734 F740 L742 | L651-H731 PolarHBondContact O-CE1 2.88Å; L651-H731 VanDerWaalsContact O-CE1 3.32Å; R655-H731 WeakPolarHBondContact CB-CE1 3.45Å; A727-H731 PolarHBondContact O-N 2.79Å; A727-H731 VanDerWaalsContact O-N 3.12Å; A727-H731 PolarHBondContact O-ND1 2.73Å; I728-H731 WeakPolarHBondContact O-CA 3.36Å; I728-H731 PolarHBondContact O-N 3.01Å; Q729-H731 VanDerWaalsContact C-N 3.27Å; Q729-H731 PolarHBondContact O-N 3.02Å; H731-A734 PolarHBondContact O-N 3.37Å; H731-F740 AromaticContact CD2-CD1 3.89Å; H731-F740 AromaticContact CD2-CE1 3.95Å; H731-F740 AromaticContact CD2-CG 4Å; H731-F740 AromaticContact NE2-CD1 3.9Å; H731-F740 AromaticContact NE2-CE1 3.96Å; H731-L742 HydrophobicContact CB-CD1 4.21Å; H731-L742 WeakPolarHBondContact ND1-CD1 3.49Å |
| 732 | G | 98.4 | Very high | 97.3 | Very high | 39 Ų | 39 | 43.7 Ų | 43.7 | 40% | 0.402 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | 62.4 | -139.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I728 Q729 V730 A734 G735 | I728-G732 PolarHBondContact O-N 2.84Å; I728-G732 VanDerWaalsContact O-N 3.15Å; Q729-G732 PolarHBondContact O-N 3.44Å; Q729-G732 VanDerWaalsContact O-N 3.13Å; V730-G732 VanDerWaalsContact C-N 3.33Å; G732-A734 PolarHBondContact O-N 2.96Å; G732-A734 VanDerWaalsContact O-N 3.11Å; G732-G735 PolarHBondContact O-N 3.35Å |
| 733 | G | 98.4 | Very high | 97.1 | Very high | 66 Ų | 66 | 40.1 Ų | 40.1 | 68% | 0.68 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -57.3 | -27.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G735 V736 | G733-G735 VanDerWaalsContact C-N 3.28Å; G733-G735 PolarHBondContact O-N 3.11Å; G733-V736 VanDerWaalsContact O-CG2 3.25Å; G733-V736 WeakPolarHBondContact O-CG2 3.3Å |
| 734 | A | 98.2 | Very high | 96.9 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -69.5 | -25.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | H731 G732 V736 S737 F740 | H731-A734 PolarHBondContact O-N 3.37Å; G732-A734 PolarHBondContact O-N 2.96Å; G732-A734 VanDerWaalsContact O-N 3.11Å; A734-V736 PolarHBondContact O-N 2.97Å; A734-S737 WeakPolarHBondContact O-CB 3.41Å; A734-S737 PolarHBondContact O-N 2.94Å; A734-S737 VanDerWaalsContact O-N 3.15Å; A734-S737 PolarHBondContact O-OG 2.96Å; A734-F740 HydrophobicContact CB-CD2 4.02Å; A734-F740 HydrophobicContact CB-CE2 3.79Å |
| 735 | G | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -66.5 | -23.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G732 G733 | G732-G735 PolarHBondContact O-N 3.35Å; G733-G735 VanDerWaalsContact C-N 3.28Å; G733-G735 PolarHBondContact O-N 3.11Å |
| 736 | V | 97.8 | Very high | 96.8 | Very high | 104 Ų | 104 | 44.3 Ų | 44.3 | 63% | 0.63 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -100.3 | 5.4 | 177.1 | -60.8 | 0 | 0 | 0 | 0 | 113.1 | I728 G733 A734 | I728-V736 HydrophobicContact CG2-CG1 3.75Å; G733-V736 VanDerWaalsContact O-CG2 3.25Å; G733-V736 WeakPolarHBondContact O-CG2 3.3Å; A734-V736 PolarHBondContact O-N 2.97Å |
| 737 | S | 95.8 | Very high | 96.7 | Very high | 34 Ų | 34 | 44.5 Ų | 44.5 | 24% | 0.238 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -93.6 | 174.3 | -179.7 | 77.2 | 0 | 0 | 0 | 0 | 112.2 | A734 D739 | A734-S737 WeakPolarHBondContact O-CB 3.41Å; A734-S737 PolarHBondContact O-N 2.94Å; A734-S737 VanDerWaalsContact O-N 3.15Å; A734-S737 PolarHBondContact O-OG 2.96Å; S737-D739 VanDerWaalsContact C-N 3.31Å; S737-D739 WeakPolarHBondContact OG-CB 3.44Å; S737-D739 PolarHBondContact OG-N 3.38Å |
| 738 | G | 90 | Very high | 96.5 | Very high | 80 Ų | 80 | 47.1 Ų | 47.1 | 83% | 0.825 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -5.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F740 | G738-F740 PolarHBondContact O-N 3.33Š|
| 739 | D | 91.8 | Very high | 96.4 | Very high | 139 Ų | 139 | 46.1 Ų | 46.1 | 74% | 0.743 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -19.5 | -178.8 | -62.3 | -6.4 | 0 | 0 | 0 | 112.2 | S737 | S737-D739 VanDerWaalsContact C-N 3.31Å; S737-D739 WeakPolarHBondContact OG-CB 3.44Å; S737-D739 PolarHBondContact OG-N 3.38Å |
| 740 | F | 94.3 | Very high | 96.4 | Very high | 59 Ų | 59 | 44.1 Ų | 44.1 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -131.6 | 150.1 | 178.5 | -63.1 | -87.3 | 0 | 0 | 0 | 109.8 | H731 A734 G738 L742 | H731-F740 AromaticContact CD2-CD1 3.89Å; H731-F740 AromaticContact CD2-CE1 3.95Å; H731-F740 AromaticContact CD2-CG 4Å; H731-F740 AromaticContact NE2-CD1 3.9Å; H731-F740 AromaticContact NE2-CE1 3.96Å; A734-F740 HydrophobicContact CB-CD2 4.02Å; A734-F740 HydrophobicContact CB-CE2 3.79Å; G738-F740 PolarHBondContact O-N 3.33Å; F740-L742 HydrophobicContact CB-CD1 4.44Å; F740-L742 HydrophobicContact CB-CG 4.38Å; F740-L742 PolarHBondContact O-N 3.46Å; F740-L742 VanDerWaalsContact O-N 3.08Å |
| 741 | P | 94.1 | Very high | 96.3 | Very high | 51 Ų | 51 | 45.4 Ų | 45.4 | 33% | 0.331 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -2.7 | -177.3 | 30.6 | -36.7 | 0 | 0 | 0 | 113.9 | L651 A743 Q744 M745 | L651-P741 HydrophobicContact CD1-CG 3.85Å; P741-A743 PolarHBondContact O-N 3.13Å; P741-Q744 PolarHBondContact O-N 3.09Å; P741-Q744 VanDerWaalsContact O-N 3.17Å; P741-M745 HydrophobicContact CB-CG 4.37Å; P741-M745 HydrophobicContact CB-SD 4.05Å; P741-M745 HydrophobicContact CG-SD 4Å; P741-M745 VanDerWaalsContact O-CG 3.23Å; P741-M745 WeakPolarHBondContact O-CG 3.47Å; P741-M745 PolarHBondContact O-N 3.2Å |
| 742 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | -167.5 | -65.7 | 172.3 | 0 | 0 | 0 | 113.7 | A648 L651 V724 A727 I728 H731 F740 Q744 M745 Y746 | A648-L742 HydrophobicContact CB-CD2 4.39Å; L651-L742 HydrophobicContact CD1-CD2 3.91Å; L651-L742 HydrophobicContact CD1-CG 4.31Å; V724-L742 WeakPolarHBondContact CG1-O 3.19Å; A727-L742 HydrophobicContact CB-CD1 4.26Å; A727-L742 HydrophobicContact CB-CD2 3.68Å; I728-L742 HydrophobicContact CD1-CB 4.45Å; I728-L742 HydrophobicContact CG1-CB 3.67Å; I728-L742 HydrophobicContact CG1-CD1 4.46Å; H731-L742 HydrophobicContact CB-CD1 4.21Å; H731-L742 WeakPolarHBondContact ND1-CD1 3.49Å; F740-L742 HydrophobicContact CB-CD1 4.44Å; F740-L742 HydrophobicContact CB-CG 4.38Å; F740-L742 PolarHBondContact O-N 3.46Å; F740-L742 VanDerWaalsContact O-N 3.08Å; L742-Q744 PolarHBondContact O-N 2.91Å; L742-M745 HydrophobicContact CD2-SD 4.2Å; L742-M745 PolarHBondContact O-N 3.5Å; L742-Y746 PolarHBondContact O-N 3.42Å |
| 743 | A | 96.5 | Very high | 96.2 | Very high | 23 Ų | 23 | 46.8 Ų | 46.8 | 19% | 0.19 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P741 Y746 S747 | P741-A743 PolarHBondContact O-N 3.13Å; A743-Y746 PolarHBondContact O-N 3.47Å; A743-S747 PolarHBondContact O-N 2.91Å |
| 744 | Q | 94.4 | Very high | 96.2 | Very high | 67 Ų | 67 | 48.4 Ų | 48.4 | 31% | 0.313 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 175.9 | -168.9 | 178.6 | 20.8 | 0 | 0 | 111.4 | L461 P741 L742 Y746 S747 Y748 | L461-Q744 HydrophobicContact CD1-CG 3.67Å; P741-Q744 PolarHBondContact O-N 3.09Å; P741-Q744 VanDerWaalsContact O-N 3.17Å; L742-Q744 PolarHBondContact O-N 2.91Å; Q744-Y746 VanDerWaalsContact C-N 3.28Å; Q744-Y746 PolarHBondContact O-N 3.18Å; Q744-S747 WeakPolarHBondContact O-CB 3.26Å; Q744-S747 PolarHBondContact O-N 2.98Å; Q744-Y748 PolarHBondContact O-N 3.06Å |
| 745 | M | 97.2 | Very high | 96 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 5% | 0.054 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.8 | -38.9 | 174.1 | -68.4 | 167.6 | 76.9 | 0 | 0 | 111.6 | C644 Q647 A648 V724 P741 L742 Y748 A749 | C644-M745 WeakPolarHBondContact O-CE 3.41Å; C644-M745 VanDerWaalsContact SG-CE 3.51Å; Q647-M745 HydrophobicContact CB-CE 4.09Å; Q647-M745 HydrophobicContact CG-CE 4.31Å; A648-M745 HydrophobicContact CB-CE 3.72Å; V724-M745 HydrophobicContact CG1-CB 3.96Å; V724-M745 HydrophobicContact CG2-CB 4.11Å; V724-M745 HydrophobicContact CG2-CE 4.41Å; P741-M745 HydrophobicContact CB-CG 4.37Å; P741-M745 HydrophobicContact CB-SD 4.05Å; P741-M745 HydrophobicContact CG-SD 4Å; P741-M745 VanDerWaalsContact O-CG 3.23Å; P741-M745 WeakPolarHBondContact O-CG 3.47Å; P741-M745 PolarHBondContact O-N 3.2Å; L742-M745 HydrophobicContact CD2-SD 4.2Å; L742-M745 PolarHBondContact O-N 3.5Å; M745-Y748 PolarHBondContact O-N 3.21Å; M745-A749 VanDerWaalsContact O-CB 3.23Å; M745-A749 WeakPolarHBondContact O-CB 3.23Å; M745-A749 PolarHBondContact O-N 2.92Å |
| 746 | Y | 98.1 | Very high | 95.8 | Very high | 72 Ų | 72 | 51.6 Ų | 51.6 | 28% | 0.282 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 177.1 | -172.4 | -94.2 | 0 | 0 | 0 | 111.8 | V724 D725 I728 L742 A743 Q744 Y748 A749 R750 | V724-Y746 HydrophobicContact CG1-CD2 4.37Å; D725-Y746 HydrophobicContact CB-CD2 4.45Å; D725-Y746 HydrophobicContact CB-CE2 4.12Å; I728-Y746 HydrophobicContact CD1-CD2 4.39Å; I728-Y746 HydrophobicContact CD1-CG 4.27Å; L742-Y746 PolarHBondContact O-N 3.42Å; A743-Y746 PolarHBondContact O-N 3.47Å; Q744-Y746 VanDerWaalsContact C-N 3.28Å; Q744-Y746 PolarHBondContact O-N 3.18Å; Y746-Y748 VanDerWaalsContact C-N 3.33Å; Y746-Y748 PolarHBondContact O-N 2.84Å; Y746-A749 PolarHBondContact O-N 3.29Å; Y746-R750 HydrophobicContact CE1-CB 4.36Å; Y746-R750 VanDerWaalsContact O-CB 3.3Å; Y746-R750 WeakPolarHBondContact O-CB 3.31Å; Y746-R750 PolarHBondContact O-N 3.01Å |
| 747 | S | 96.5 | Very high | 95.6 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 174.7 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | V589 A743 Q744 T751 | V589-S747 WeakPolarHBondContact CB-OG 3.21Å; V589-S747 WeakPolarHBondContact CG1-OG 3.35Å; V589-S747 PolarHBondContact O-OG 2.72Å; V589-S747 VanDerWaalsContact O-OG 3.11Å; A743-S747 PolarHBondContact O-N 2.91Å; Q744-S747 WeakPolarHBondContact O-CB 3.26Å; Q744-S747 PolarHBondContact O-N 2.98Å; S747-T751 WeakPolarHBondContact O-CB 3.27Å; S747-T751 PolarHBondContact O-N 2.83Å; S747-T751 VanDerWaalsContact O-N 3.14Å; S747-T751 PolarHBondContact O-OG1 3.09Å |
| 748 | Y | 94.9 | Very high | 95.7 | Very high | 56 Ų | 56 | 47.2 Ų | 47.2 | 22% | 0.22 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.3 | -54.6 | 172 | 169.3 | -100.9 | 0 | 0 | 0 | 111.9 | Q744 M745 Y746 R750 T751 L752 | Q744-Y748 PolarHBondContact O-N 3.06Å; M745-Y748 PolarHBondContact O-N 3.21Å; Y746-Y748 VanDerWaalsContact C-N 3.33Å; Y746-Y748 PolarHBondContact O-N 2.84Å; Y748-R750 VanDerWaalsContact C-N 3.3Å; Y748-R750 PolarHBondContact O-N 3.44Å; Y748-T751 WeakPolarHBondContact O-CB 3.41Å; Y748-T751 PolarHBondContact O-N 2.93Å; Y748-T751 VanDerWaalsContact O-N 3.12Å; Y748-L752 HydrophobicContact CD1-CD1 4.37Å; Y748-L752 HydrophobicContact CE1-CD1 3.66Å; Y748-L752 HydrophobicContact CE1-CG 4.29Å; Y748-L752 HydrophobicContact CE2-CD2 4.25Å; Y748-L752 HydrophobicContact CE2-CG 4.44Å; Y748-L752 PolarHBondContact O-N 2.8Å |
| 749 | A | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.4 | -44.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V720 C721 M745 Y746 T751 L752 | V720-A749 HydrophobicContact CB-CB 4.35Å; V720-A749 HydrophobicContact CG1-CB 3.64Å; V720-A749 HydrophobicContact CG2-CB 4.06Å; C721-A749 PolarHBondContact SG-O 3.3Å; C721-A749 VanDerWaalsContact SG-O 3.38Å; M745-A749 VanDerWaalsContact O-CB 3.23Å; M745-A749 WeakPolarHBondContact O-CB 3.23Å; M745-A749 PolarHBondContact O-N 2.92Å; Y746-A749 PolarHBondContact O-N 3.29Å; A749-T751 VanDerWaalsContact C-N 3.35Å; A749-T751 PolarHBondContact O-N 2.87Å; A749-L752 WeakPolarHBondContact O-CB 3.36Å; A749-L752 PolarHBondContact O-N 3.4Å |
| 750 | R | 98.2 | Very high | 96.4 | Very high | 76 Ų | 76 | 41.9 Ų | 41.9 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.4 | -33.6 | -179 | -178.9 | 59.4 | -171.9 | 86.7 | -3.6 | 112.4 | F590 Y746 Y748 L752 R753 | F590-R750 HydrophobicContact CE2-CB 3.93Å; F590-R750 HydrophobicContact CE2-CG 3.77Å; F590-R750 HydrophobicContact CZ-CB 4.45Å; F590-R750 HydrophobicContact CZ-CG 3.86Å; Y746-R750 HydrophobicContact CE1-CB 4.36Å; Y746-R750 VanDerWaalsContact O-CB 3.3Å; Y746-R750 WeakPolarHBondContact O-CB 3.31Å; Y746-R750 PolarHBondContact O-N 3.01Å; Y748-R750 VanDerWaalsContact C-N 3.3Å; Y748-R750 PolarHBondContact O-N 3.44Å; R750-L752 VanDerWaalsContact C-N 3.32Å; R750-R753 PolarHBondContact O-N 2.96Å |
| 751 | T | 97.2 | Very high | 96.5 | Very high | 37 Ų | 37 | 41.8 Ų | 41.8 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.4 | -36.5 | 175.5 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | V589 S747 Y748 A749 R753 I754 A755 | V589-T751 WeakPolarHBondContact CG1-OG1 3.4Å; S747-T751 WeakPolarHBondContact O-CB 3.27Å; S747-T751 PolarHBondContact O-N 2.83Å; S747-T751 VanDerWaalsContact O-N 3.14Å; S747-T751 PolarHBondContact O-OG1 3.09Å; Y748-T751 WeakPolarHBondContact O-CB 3.41Å; Y748-T751 PolarHBondContact O-N 2.93Å; Y748-T751 VanDerWaalsContact O-N 3.12Å; A749-T751 VanDerWaalsContact C-N 3.35Å; A749-T751 PolarHBondContact O-N 2.87Å; T751-R753 PolarHBondContact O-N 3.47Å; T751-R753 VanDerWaalsContact O-N 3.08Å; T751-I754 PolarHBondContact O-N 2.99Å; T751-A755 HydrophobicContact CG2-CB 4.3Å; T751-A755 PolarHBondContact O-N 3.43Å |
| 752 | L | 96.4 | Very high | 96.6 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.6 | 177.5 | -66.8 | -177.4 | 0 | 0 | 0 | 114.1 | H637 A641 K713 A717 V720 Y748 A749 R750 I754 | H637-L752 HydrophobicContact CB-CD2 4.04Å; A641-L752 HydrophobicContact CB-CD1 3.98Å; K713-L752 PolarHBondContact NZ-O 3.38Å; A717-L752 HydrophobicContact CB-CB 3.95Å; V720-L752 HydrophobicContact CG1-CD1 4.47Å; Y748-L752 HydrophobicContact CD1-CD1 4.37Å; Y748-L752 HydrophobicContact CE1-CD1 3.66Å; Y748-L752 HydrophobicContact CE1-CG 4.29Å; Y748-L752 HydrophobicContact CE2-CD2 4.25Å; Y748-L752 HydrophobicContact CE2-CG 4.44Å; Y748-L752 PolarHBondContact O-N 2.8Å; A749-L752 WeakPolarHBondContact O-CB 3.36Å; A749-L752 PolarHBondContact O-N 3.4Å; R750-L752 VanDerWaalsContact C-N 3.32Å; L752-I754 PolarHBondContact O-N 2.84Å |
| 753 | R | 98.2 | Very high | 96.7 | Very high | 66 Ų | 66 | 43.2 Ų | 43.2 | 25% | 0.249 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -6.5 | 174.4 | -62.5 | -175.9 | 62.7 | -153.3 | -9.3 | 113.7 | A717 R750 T751 P758 D759 | A717-R753 HydrophobicContact CB-CB 4.5Å; A717-R753 HydrophobicContact CB-CG 3.62Å; R750-R753 PolarHBondContact O-N 2.96Å; T751-R753 PolarHBondContact O-N 3.47Å; T751-R753 VanDerWaalsContact O-N 3.08Å; R753-P758 WeakPolarHBondContact O-CA 3.37Å; R753-D759 IonicContact CZ-OD2 3.27Å; R753-D759 IonicContact NE-OD2 3.45Å; R753-D759 PolarHBondContact NE-OD2 2.71Å; R753-D759 IonicContact NH2-OD2 3.28Å; R753-D759 PolarHBondContact NH2-OD2 3Å; R753-D759 PolarHBondContact O-N 3.37Å |
| 754 | I | 97.5 | Very high | 96.7 | Very high | 100 Ų | 100 | 45.5 Ų | 45.5 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -48.1 | -178.1 | -58.8 | 173 | 0 | 0 | 0 | 110.1 | T751 L752 G757 | T751-I754 PolarHBondContact O-N 2.99Å; L752-I754 PolarHBondContact O-N 2.84Å; I754-G757 CarbonylContact O-C 3.56Å; I754-G757 PolarHBondContact O-N 2.82Å |
| 755 | A | 95 | Very high | 96.8 | Very high | 39 Ų | 39 | 44.7 Ų | 44.7 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 146.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K713 T751 G757 | K713-A755 WeakPolarHBondContact CE-O 3.47Å; K713-A755 PolarHBondContact NZ-O 3.03Å; T751-A755 HydrophobicContact CG2-CB 4.3Å; T751-A755 PolarHBondContact O-N 3.43Å; A755-G757 PolarHBondContact O-N 3.04Å; A755-G757 VanDerWaalsContact O-N 3.08Å |
| 756 | D | 92.7 | Very high | 96.8 | Very high | 49 Ų | 49 | 45.7 Ų | 45.7 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 22.6 | -176.4 | -71.9 | -10.5 | 0 | 0 | 0 | 115.7 | L630 R634 H637 H762 | L630-D756 HydrophobicContact CD2-CB 4.35Å; L630-D756 WeakPolarHBondContact CD2-OD1 3.19Å; R634-D756 HydrophobicContact CG-CB 3.83Å; R634-D756 PolarHBondContact NE-O 2.83Å; R634-D756 PolarHBondContact NH2-O 2.93Å; H637-D756 IonicContact CD2-OD2 3.05Å; D756-H762 PolarHBondContact O-NE2 2.82Å |
| 757 | G | 94 | Very high | 96.8 | Very high | 18 Ų | 18 | 44.7 Ų | 44.7 | 19% | 0.186 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 112.4 | 128 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K713 I754 A755 H762 | K713-G757 PolarHBondContact NZ-O 2.76Å; I754-G757 CarbonylContact O-C 3.56Å; I754-G757 PolarHBondContact O-N 2.82Å; A755-G757 PolarHBondContact O-N 3.04Å; A755-G757 VanDerWaalsContact O-N 3.08Å; G757-H762 PolarHBondContact O-CD2 2.93Å; G757-H762 VanDerWaalsContact O-CD2 3.26Å; G757-H762 PolarHBondContact O-NE2 2.8Å |
| 758 | P | 97.8 | Very high | 96.8 | Very high | 29 Ų | 29 | 48.8 Ų | 48.8 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | trans | -61.5 | 154 | 175.9 | -23.4 | 33.6 | 0 | 0 | 0 | 113.3 | R753 E760 V761 H762 | R753-P758 WeakPolarHBondContact O-CA 3.37Å; P758-E760 PolarHBondContact O-N 3.33Å; P758-E760 VanDerWaalsContact O-N 3.14Å; P758-V761 HydrophobicContact CG-CG2 4.43Å; P758-V761 PolarHBondContact O-N 3.21Å; P758-V761 VanDerWaalsContact O-N 3.14Å; P758-H762 PolarHBondContact O-CD2 3.33Å; P758-H762 PolarHBondContact O-N 3.39Å | ||
| 759 | D | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -47.3 | -43.9 | 176.9 | -69.4 | -2.7 | 0 | 0 | 0 | 111.9 | V714 R718 R753 V761 H762 L763 | V714-D759 HydrophobicContact CG1-CB 4.41Å; R718-D759 IonicContact CZ-OD2 3.92Å; R718-D759 IonicContact NE-OD2 2.72Å; R718-D759 PolarHBondContact NE-OD2 3.21Å; R718-D759 IonicContact NH2-OD2 2.64Å; R753-D759 IonicContact CZ-OD2 3.27Å; R753-D759 IonicContact NE-OD2 3.45Å; R753-D759 PolarHBondContact NE-OD2 2.71Å; R753-D759 IonicContact NH2-OD2 3.28Å; R753-D759 PolarHBondContact NH2-OD2 3Å; R753-D759 PolarHBondContact O-N 3.37Å; D759-V761 VanDerWaalsContact C-N 3.35Å; D759-V761 PolarHBondContact O-N 2.68Å; D759-H762 PolarHBondContact O-N 2.68Å; D759-L763 WeakPolarHBondContact O-CG 3.48Å; D759-L763 PolarHBondContact O-N 2.97Å |
| 760 | E | 98.4 | Very high | 96.9 | Very high | 107 Ų | 107 | 51.9 Ų | 51.9 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.6 | -34 | -173.3 | -64.4 | 67.6 | -143.4 | 0 | 0 | 112.7 | P758 S764 | P758-E760 PolarHBondContact O-N 3.33Å; P758-E760 VanDerWaalsContact O-N 3.14Å; E760-S764 WeakPolarHBondContact O-CB 3.43Å; E760-S764 PolarHBondContact O-N 2.84Å; E760-S764 PolarHBondContact O-OG 2.83Å |
| 761 | V | 96.9 | Very high | 96.8 | Very high | 56 Ų | 56 | 53.6 Ų | 53.6 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.9 | -39.6 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | P758 D759 S765 | P758-V761 HydrophobicContact CG-CG2 4.43Å; P758-V761 PolarHBondContact O-N 3.21Å; P758-V761 VanDerWaalsContact O-N 3.14Å; D759-V761 VanDerWaalsContact C-N 3.35Å; D759-V761 PolarHBondContact O-N 2.68Å; V761-S765 PolarHBondContact O-N 2.94Å; V761-S765 VanDerWaalsContact O-N 3.13Å; V761-S765 PolarHBondContact O-OG 2.76Å |
| 762 | H | 97.1 | Very high | 96.7 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 3% | 0.032 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.9 | -42.6 | 176.2 | -66.3 | -59.6 | 0 | 0 | 0 | 111.6 | A710 K713 V714 D756 G757 P758 D759 S764 S765 I766 | A710-H762 HydrophobicContact CB-CB 4.36Å; K713-H762 WeakPolarHBondContact CG-NE2 3.26Å; V714-H762 HydrophobicContact CG2-CB 3.54Å; D756-H762 PolarHBondContact O-NE2 2.82Å; G757-H762 PolarHBondContact O-CD2 2.93Å; G757-H762 VanDerWaalsContact O-CD2 3.26Å; G757-H762 PolarHBondContact O-NE2 2.8Å; P758-H762 PolarHBondContact O-CD2 3.33Å; P758-H762 PolarHBondContact O-N 3.39Å; D759-H762 PolarHBondContact O-N 2.68Å; H762-S764 VanDerWaalsContact C-N 3.34Å; H762-S764 PolarHBondContact O-N 2.76Å; H762-S765 WeakPolarHBondContact O-CB 3.36Å; H762-S765 PolarHBondContact O-N 3.42Å; H762-S765 VanDerWaalsContact O-N 3.14Å; H762-I766 WeakPolarHBondContact O-CD1 3.45Å; H762-I766 VanDerWaalsContact O-CG1 3.24Å; H762-I766 WeakPolarHBondContact O-CG1 3.33Å; H762-I766 PolarHBondContact O-N 3.29Å |
| 763 | L | 98.3 | Very high | 96.4 | Very high | 74 Ų | 74 | 60.8 Ų | 60.8 | 39% | 0.387 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.4 | -45.7 | 175 | -76.1 | 170.7 | 0 | 0 | 0 | 112.1 | V714 D759 S765 I766 A767 | V714-L763 HydrophobicContact CG1-CD2 4.31Å; V714-L763 HydrophobicContact CG1-CG 4.39Å; V714-L763 HydrophobicContact CG2-CG 4.31Å; D759-L763 WeakPolarHBondContact O-CG 3.48Å; D759-L763 PolarHBondContact O-N 2.97Å; L763-S765 VanDerWaalsContact C-N 3.31Å; L763-S765 PolarHBondContact O-N 3.49Å; L763-I766 PolarHBondContact O-N 3.21Å; L763-A767 PolarHBondContact O-N 2.79Å |
| 764 | S | 97.9 | Very high | 96.3 | Very high | 71 Ų | 71 | 62.2 Ų | 62.2 | 50% | 0.497 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 176.2 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | E760 H762 A767 I768 | E760-S764 WeakPolarHBondContact O-CB 3.43Å; E760-S764 PolarHBondContact O-N 2.84Å; E760-S764 PolarHBondContact O-OG 2.83Å; H762-S764 VanDerWaalsContact C-N 3.34Å; H762-S764 PolarHBondContact O-N 2.76Å; S764-A767 PolarHBondContact O-N 2.92Å; S764-I768 WeakPolarHBondContact O-CG1 3.29Å; S764-I768 PolarHBondContact O-N 2.9Å; S764-I768 VanDerWaalsContact O-N 3.13Å |
| 765 | S | 94.8 | Very high | 96.1 | Very high | 51 Ų | 51 | 62.2 Ų | 62.2 | 36% | 0.357 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 176.7 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | V761 H762 L763 L769 | V761-S765 PolarHBondContact O-N 2.94Å; V761-S765 VanDerWaalsContact O-N 3.13Å; V761-S765 PolarHBondContact O-OG 2.76Å; H762-S765 WeakPolarHBondContact O-CB 3.36Å; H762-S765 PolarHBondContact O-N 3.42Å; H762-S765 VanDerWaalsContact O-N 3.14Å; L763-S765 VanDerWaalsContact C-N 3.31Å; L763-S765 PolarHBondContact O-N 3.49Å; S765-L769 VanDerWaalsContact O-CG 3.29Å; S765-L769 WeakPolarHBondContact O-CG 3.47Å; S765-L769 PolarHBondContact O-N 3.08Å; S765-L769 VanDerWaalsContact O-N 3.13Å |
| 766 | I | 97.4 | Very high | 96 | Very high | 31 Ų | 31 | 68.1 Ų | 68.1 | 16% | 0.159 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 176 | -66.3 | 159.2 | 0 | 0 | 0 | 110.1 | A710 M711 H762 L763 I768 L769 E770 | A710-I766 HydrophobicContact CB-CD1 4.2Å; A710-I766 HydrophobicContact CB-CG1 3.79Å; M711-I766 HydrophobicContact CB-CD1 4.39Å; M711-I766 HydrophobicContact CG-CD1 3.9Å; M711-I766 HydrophobicContact CG-CG1 4.05Å; M711-I766 HydrophobicContact CG-CG2 4.3Å; H762-I766 WeakPolarHBondContact O-CD1 3.45Å; H762-I766 VanDerWaalsContact O-CG1 3.24Å; H762-I766 WeakPolarHBondContact O-CG1 3.33Å; H762-I766 PolarHBondContact O-N 3.29Å; L763-I766 PolarHBondContact O-N 3.21Å; I766-I768 VanDerWaalsContact C-N 3.34Å; I766-I768 PolarHBondContact O-N 3.44Å; I766-L769 PolarHBondContact O-N 3.3Å; I766-E770 WeakPolarHBondContact O-CB 3.35Å; I766-E770 PolarHBondContact O-N 3Å |
| 767 | A | 98.2 | Very high | 95.7 | Very high | 52 Ų | 52 | 70.6 Ų | 70.6 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.2 | -44.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L763 S764 L769 E770 L771 | L763-A767 PolarHBondContact O-N 2.79Å; S764-A767 PolarHBondContact O-N 2.92Å; A767-L769 PolarHBondContact O-N 2.83Å; A767-E770 PolarHBondContact O-N 2.96Å; A767-L771 WeakPolarHBondContact O-CB 3.39Å; A767-L771 WeakPolarHBondContact O-CG 3.05Å; A767-L771 PolarHBondContact O-N 3.36Å |
| 768 | I | 97.4 | Very high | 95.5 | Very high | 95 Ų | 95 | 72 Ų | 72 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 177.2 | -68 | 165.8 | 0 | 0 | 0 | 111.5 | S764 I766 K772 | S764-I768 WeakPolarHBondContact O-CG1 3.29Å; S764-I768 PolarHBondContact O-N 2.9Å; S764-I768 VanDerWaalsContact O-N 3.13Å; I766-I768 VanDerWaalsContact C-N 3.34Å; I766-I768 PolarHBondContact O-N 3.44Å; I768-K772 WeakPolarHBondContact O-CG 3.22Å; I768-K772 PolarHBondContact O-N 2.78Å |
| 769 | L | 95.3 | Very high | 94.9 | Very high | 48 Ų | 48 | 79.8 Ų | 79.8 | 25% | 0.251 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.5 | -41.7 | 179.4 | -68.4 | 171.4 | 0 | 0 | 0 | 111.6 | K707 S765 I766 A767 K772 D773 | K707-L769 HydrophobicContact CB-CD1 3.86Å; K707-L769 HydrophobicContact CD-CB 4.13Å; K707-L769 HydrophobicContact CG-CB 4.19Å; K707-L769 HydrophobicContact CG-CD1 4.14Å; S765-L769 VanDerWaalsContact O-CG 3.29Å; S765-L769 WeakPolarHBondContact O-CG 3.47Å; S765-L769 PolarHBondContact O-N 3.08Å; S765-L769 VanDerWaalsContact O-N 3.13Å; I766-L769 PolarHBondContact O-N 3.3Å; A767-L769 PolarHBondContact O-N 2.83Å; L769-K772 PolarHBondContact O-N 2.63Å; L769-D773 PolarHBondContact O-N 2.94Å |
| 770 | E | 97.4 | Very high | 93.9 | Very high | 73 Ų | 73 | 83.9 Ų | 83.9 | 34% | 0.341 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.5 | -48 | 175.6 | -175.2 | 60.1 | -144.1 | 0 | 0 | 111.7 | K707 I766 A767 K772 D773 Q774 | K707-E770 VanDerWaalsContact CE-OE2 3.28Å; K707-E770 WeakPolarHBondContact CE-OE2 3.24Å; K707-E770 IonicContact NZ-OE2 2.84Å; K707-E770 PolarHBondContact NZ-OE2 2.96Å; I766-E770 WeakPolarHBondContact O-CB 3.35Å; I766-E770 PolarHBondContact O-N 3Å; A767-E770 PolarHBondContact O-N 2.96Å; E770-K772 VanDerWaalsContact C-N 3.27Å; E770-K772 PolarHBondContact O-N 2.77Å; E770-D773 PolarHBondContact O-N 2.8Å; E770-D773 VanDerWaalsContact O-N 3.14Å; E770-Q774 HydrophobicContact CG-CG 4.38Å; E770-Q774 WeakPolarHBondContact O-CG 3.49Å; E770-Q774 PolarHBondContact O-N 2.85Å; E770-Q774 WeakPolarHBondContact OE1-CG 3.2Å; E770-Q774 PolarHBondContact OE1-NE2 2.81Å |
| 771 | L | 96.8 | Very high | 92.9 | Very high | 112 Ų | 112 | 88.8 Ų | 88.8 | 59% | 0.586 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -56.9 | -41.5 | 176.8 | -79.1 | 162.9 | 0 | 0 | 0 | 112.1 | A767 L775 | A767-L771 WeakPolarHBondContact O-CB 3.39Å; A767-L771 WeakPolarHBondContact O-CG 3.05Å; A767-L771 PolarHBondContact O-N 3.36Å; L771-L775 WeakPolarHBondContact O-CB 3.49Å; L771-L775 VanDerWaalsContact O-CG 3.24Å; L771-L775 WeakPolarHBondContact O-CG 3.38Å; L771-L775 PolarHBondContact O-N 3.18Å |
| 772 | K | 94.7 | Very high | 91.3 | Very high | 133 Ų | 133 | 95.7 Ų | 95.7 | 58% | 0.578 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 177 | -73.7 | 178.2 | -179.4 | -177.4 | 0 | 112 | I768 L769 E770 K776 | I768-K772 WeakPolarHBondContact O-CG 3.22Å; I768-K772 PolarHBondContact O-N 2.78Å; L769-K772 PolarHBondContact O-N 2.63Å; E770-K772 VanDerWaalsContact C-N 3.27Å; E770-K772 PolarHBondContact O-N 2.77Å; K772-K776 WeakPolarHBondContact O-CB 3.31Å; K772-K776 PolarHBondContact O-N 2.79Å |
| 773 | D | 91.3 | Very high | 91 | Very high | 66 Ų | 66 | 100.2 Ų | 100.2 | 35% | 0.353 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 179.1 | -66.9 | -24.5 | 0 | 0 | 0 | 111 | K707 L769 E770 K776 Q777 | K707-D773 IonicContact NZ-OD2 3.89Å; K707-D773 PolarHBondContact NZ-OD2 2.88Å; L769-D773 PolarHBondContact O-N 2.94Å; E770-D773 PolarHBondContact O-N 2.8Å; E770-D773 VanDerWaalsContact O-N 3.14Å; D773-K776 PolarHBondContact O-N 2.85Å; D773-Q777 WeakPolarHBondContact O-CG 3.49Å; D773-Q777 PolarHBondContact O-N 2.78Å |
| 774 | Q | 94.8 | Very high | 90.6 | Very high | 95 Ų | 95 | 101.5 Ų | 101.5 | 44% | 0.444 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 178.3 | -68.5 | -64.2 | -18.5 | 0 | 0 | 112.3 | E770 K776 Q777 A778 | E770-Q774 HydrophobicContact CG-CG 4.38Å; E770-Q774 WeakPolarHBondContact O-CG 3.49Å; E770-Q774 PolarHBondContact O-N 2.85Å; E770-Q774 WeakPolarHBondContact OE1-CG 3.2Å; E770-Q774 PolarHBondContact OE1-NE2 2.81Å; Q774-K776 VanDerWaalsContact C-N 3.32Å; Q774-K776 PolarHBondContact O-N 2.97Å; Q774-Q777 PolarHBondContact O-N 3.49Å; Q774-A778 WeakPolarHBondContact O-CB 3.27Å; Q774-A778 PolarHBondContact O-N 3.35Å |
| 775 | L | 94.5 | Very high | 90.2 | Very high | 100 Ų | 100 | 103.2 Ų | 103.2 | 52% | 0.524 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -36.4 | 176.9 | -72.7 | 173.7 | 0 | 0 | 0 | 112.2 | L771 R779 | L771-L775 WeakPolarHBondContact O-CB 3.49Å; L771-L775 VanDerWaalsContact O-CG 3.24Å; L771-L775 WeakPolarHBondContact O-CG 3.38Å; L771-L775 PolarHBondContact O-N 3.18Å; L775-R779 WeakPolarHBondContact O-CB 3.28Å; L775-R779 VanDerWaalsContact O-CG 3.3Å; L775-R779 WeakPolarHBondContact O-CG 3.34Å; L775-R779 PolarHBondContact O-N 2.77Å |
| 776 | K | 91.4 | Very high | 90 | Very high | 164 Ų | 164 | 106.3 Ų | 106.3 | 71% | 0.713 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 175.1 | -173.1 | -177.2 | 178.4 | -173.2 | 0 | 111.2 | K772 D773 Q774 R779 A780 | K772-K776 WeakPolarHBondContact O-CB 3.31Å; K772-K776 PolarHBondContact O-N 2.79Å; D773-K776 PolarHBondContact O-N 2.85Å; Q774-K776 VanDerWaalsContact C-N 3.32Å; Q774-K776 PolarHBondContact O-N 2.97Å; K776-R779 PolarHBondContact O-N 2.87Å; K776-A780 PolarHBondContact O-N 3.21Å; K776-A780 VanDerWaalsContact O-N 3.15Å |
| 777 | Q | 87 | Confident | 89.5 | Confident | 100 Ų | 100 | 111 Ų | 111 | 47% | 0.467 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.8 | -42.5 | 177 | -70.2 | 179.8 | 14.1 | 0 | 0 | 112.2 | D773 Q774 R779 A780 R781 | D773-Q777 WeakPolarHBondContact O-CG 3.49Å; D773-Q777 PolarHBondContact O-N 2.78Å; Q774-Q777 PolarHBondContact O-N 3.49Å; Q777-R779 VanDerWaalsContact C-N 3.33Å; Q777-R779 PolarHBondContact O-N 2.88Å; Q777-A780 PolarHBondContact O-N 3.41Å; Q777-A780 VanDerWaalsContact O-N 3.14Å; Q777-R781 WeakPolarHBondContact O-CG 3.38Å; Q777-R781 PolarHBondContact O-N 3.42Å |
| 778 | A | 89.2 | Confident | 88.9 | Confident | 49 Ų | 49 | 114.9 Ų | 114.9 | 41% | 0.405 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q774 A780 R781 L782 | Q774-A778 WeakPolarHBondContact O-CB 3.27Å; Q774-A778 PolarHBondContact O-N 3.35Å; A778-A780 VanDerWaalsContact C-N 3.29Å; A778-A780 PolarHBondContact O-N 3.11Å; A778-R781 PolarHBondContact O-N 3.17Å; A778-L782 PolarHBondContact O-N 2.95Å |
| 779 | R | 85.5 | Confident | 88.3 | Confident | 192 Ų | 192 | 116.4 Ų | 116.4 | 73% | 0.725 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66 | -26.7 | 175.1 | -73.5 | 176 | -177.3 | -175.4 | 0.5 | 114.2 | L775 K776 Q777 R781 | L775-R779 WeakPolarHBondContact O-CB 3.28Å; L775-R779 VanDerWaalsContact O-CG 3.3Å; L775-R779 WeakPolarHBondContact O-CG 3.34Å; L775-R779 PolarHBondContact O-N 2.77Å; K776-R779 PolarHBondContact O-N 2.87Å; Q777-R779 VanDerWaalsContact C-N 3.33Å; Q777-R779 PolarHBondContact O-N 2.88Å; R779-R781 VanDerWaalsContact C-N 3.34Å |
| 780 | A | 78.6 | Confident | 87.8 | Confident | 85 Ų | 85 | 121.6 Ų | 121.6 | 70% | 0.702 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -81.7 | -14.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K776 Q777 A778 | K776-A780 PolarHBondContact O-N 3.21Å; K776-A780 VanDerWaalsContact O-N 3.15Å; Q777-A780 PolarHBondContact O-N 3.41Å; Q777-A780 VanDerWaalsContact O-N 3.14Å; A778-A780 VanDerWaalsContact C-N 3.29Å; A778-A780 PolarHBondContact O-N 3.11Å |
| 781 | R | 75.6 | Confident | 87 | Confident | 211 Ų | 211 | 125.7 Ų | 125.7 | 80% | 0.796 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -91.1 | -16.6 | 174.6 | -69 | 178.3 | -176.5 | 176.8 | 3 | 113 | Q777 A778 R779 | Q777-R781 WeakPolarHBondContact O-CG 3.38Å; Q777-R781 PolarHBondContact O-N 3.42Å; A778-R781 PolarHBondContact O-N 3.17Å; R779-R781 VanDerWaalsContact C-N 3.34Å |
| 782 | L | 64.3 | Low | 86.1 | Confident | 201 Ų | 201 | 126.9 Ų | 126.9 | 100% | 1.052 | 62% | 0.615 | S | S | * | * | trans | -89 | 0 | 171.1 | -67 | 170.3 | 0 | 0 | 0 | 108.9 | A778 | A778-L782 PolarHBondContact O-N 2.95Š|
Retrieved 782 of 782 residues in 1422.7 ms
(Link to these results)