| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.1 | Very low | 48.1 | Very low | 203 Ų | 203 | 90.9 Ų | 90.9 | 100% | 1 | 50% | 0.499 | S | S | * | . | 0 | -89.5 | 0 | -60.4 | -161.8 | -134.2 | 0 | 0 | 111 | H3 T4 A5 | M1-H3 VanDerWaalsContact C-N 3.32Å; M1-H3 PolarHBondContact O-N 3.44Å; M1-H3 VanDerWaalsContact O-N 3.14Å; M1-T4 PolarHBondContact N-OG1 3.27Å; M1-T4 CarbonylContact O-C 3.56Å; M1-T4 WeakPolarHBondContact O-CA 3.1Å; M1-T4 WeakPolarHBondContact O-CB 3.39Å; M1-T4 PolarHBondContact O-N 3.27Å; M1-T4 PolarHBondContact O-OG1 3.47Å; M1-A5 PolarHBondContact O-N 3.45Å | |||
| 2 | A | 45.3 | Very low | 48.3 | Very low | 28 Ų | 28 | 88.3 Ų | 88.3 | 23% | 0.231 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -52.5 | -42.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T4 A5 L6 L84 | A2-T4 VanDerWaalsContact C-N 3.26Å; A2-T4 PolarHBondContact O-N 3Å; A2-A5 PolarHBondContact O-N 3.45Å; A2-L6 PolarHBondContact O-N 3.44Å; A2-L84 HydrophobicContact CB-CD1 3.66Å; A2-L84 HydrophobicContact CB-CD2 3.98Å |
| 3 | H | 42.7 | Very low | 49.4 | Very low | 105 Ų | 105 | 85.2 Ų | 85.2 | 49% | 0.486 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.1 | -27.4 | 177.1 | -145.2 | -38.3 | 0 | 0 | 0 | 113.7 | M1 R20 | M1-H3 VanDerWaalsContact C-N 3.32Å; M1-H3 PolarHBondContact O-N 3.44Å; M1-H3 VanDerWaalsContact O-N 3.14Å; H3-R20 PolarHBondContact CD2-NH2 2.64Å |
| 4 | T | 47.3 | Very low | 49.8 | Very low | 94 Ų | 94 | 82.4 Ų | 82.4 | 58% | 0.577 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -79.1 | -37.6 | 177.9 | -34.6 | 0 | 0 | 0 | 0 | 110.9 | M1 A2 Q7 N8 | M1-T4 PolarHBondContact N-OG1 3.27Å; M1-T4 CarbonylContact O-C 3.56Å; M1-T4 WeakPolarHBondContact O-CA 3.1Å; M1-T4 WeakPolarHBondContact O-CB 3.39Å; M1-T4 PolarHBondContact O-N 3.27Å; M1-T4 PolarHBondContact O-OG1 3.47Å; A2-T4 VanDerWaalsContact C-N 3.26Å; A2-T4 PolarHBondContact O-N 3Å; T4-Q7 PolarHBondContact O-N 3.48Å; T4-N8 PolarHBondContact O-N 3.28Å |
| 5 | A | 50.8 | Low | 51 | Low | 40 Ų | 40 | 82.4 Ų | 82.4 | 33% | 0.331 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.9 | -49.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | M1 A2 Q7 N8 N11 | M1-A5 PolarHBondContact O-N 3.45Å; A2-A5 PolarHBondContact O-N 3.45Å; A5-Q7 PolarHBondContact O-N 2.53Å; A5-Q7 VanDerWaalsContact O-N 3.13Å; A5-N8 WeakPolarHBondContact O-CB 3.48Å; A5-N8 PolarHBondContact O-N 2.59Å; A5-N11 WeakPolarHBondContact O-CB 3.5Å; A5-N11 PolarHBondContact O-ND2 3.06Å |
| 6 | L | 51.7 | Low | 52.6 | Low | 30 Ų | 30 | 77.9 Ų | 77.9 | 16% | 0.157 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -8.7 | -178.9 | -72.3 | 158.6 | 0 | 0 | 0 | 114.7 | A2 N11 Y13 L18 L89 | A2-L6 PolarHBondContact O-N 3.44Å; L6-N11 WeakPolarHBondContact CA-ND2 3.25Å; L6-N11 PolarHBondContact N-ND2 3.16Å; L6-Y13 VanDerWaalsContact CD2-O 3.31Å; L6-Y13 WeakPolarHBondContact CD2-O 3.1Å; L6-L18 HydrophobicContact CD1-CB 4.21Å; L6-L18 HydrophobicContact CD1-CD1 3.67Å; L6-L18 HydrophobicContact CD1-CD2 3.71Å; L6-L18 HydrophobicContact CD1-CG 4.06Å; L6-L89 HydrophobicContact CD1-CD1 4.36Å; L6-L89 HydrophobicContact CD1-CD2 4.48Å |
| 7 | Q | 47.1 | Very low | 54.7 | Low | 145 Ų | 145 | 78.1 Ų | 78.1 | 68% | 0.678 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -5.9 | 172.2 | -72.6 | 179.3 | -26.4 | 0 | 0 | 113.5 | T4 A5 | T4-Q7 PolarHBondContact O-N 3.48Å; A5-Q7 PolarHBondContact O-N 2.53Å; A5-Q7 VanDerWaalsContact O-N 3.13Å |
| 8 | N | 48.5 | Very low | 56.8 | Low | 78 Ų | 78 | 76.8 Ų | 76.8 | 42% | 0.417 | 43% | 0.429 | S | S | . | . | trans | -81.3 | 119.7 | 171.4 | 178.6 | 5.2 | 0 | 0 | 0 | 109.1 | T4 A5 N10 N11 | T4-N8 PolarHBondContact O-N 3.28Å; A5-N8 WeakPolarHBondContact O-CB 3.48Å; A5-N8 PolarHBondContact O-N 2.59Å; N8-N10 PolarHBondContact O-N 3.05Å; N8-N10 VanDerWaalsContact O-N 3.15Å; N8-N10 WeakPolarHBondContact OD1-CB 3.29Å; N8-N10 PolarHBondContact OD1-N 2.76Å; N8-N11 HydrophobicContact CB-CB 4.22Å; N8-N11 VanDerWaalsContact O-CB 3.24Å; N8-N11 WeakPolarHBondContact O-CB 3.48Å; N8-N11 PolarHBondContact O-N 3.29Å | ||
| 9 | P | 46.6 | Very low | 58.7 | Low | 115 Ų | 115 | 74.2 Ų | 74.2 | 75% | 0.747 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.7 | 178.3 | 27.2 | -35.3 | 0 | 0 | 0 | 113.5 | N11 | P9-N11 VanDerWaalsContact C-N 3.33Š|
| 10 | N | 52.2 | Low | 60.5 | Low | 143 Ų | 143 | 76.1 Ų | 76.1 | 77% | 0.765 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 6.5 | 174.1 | -61.9 | -9.9 | 0 | 0 | 0 | 113.1 | N8 | N8-N10 PolarHBondContact O-N 3.05Å; N8-N10 VanDerWaalsContact O-N 3.15Å; N8-N10 WeakPolarHBondContact OD1-CB 3.29Å; N8-N10 PolarHBondContact OD1-N 2.76Å |
| 11 | N | 57.8 | Low | 62.1 | Low | 19 Ų | 19 | 76 Ų | 76 | 10% | 0.102 | 41% | 0.409 | C | S | . | . | trans | -83.5 | 124.9 | 174.6 | 172.7 | 19.7 | 0 | 0 | 0 | 110.3 | A5 L6 N8 P9 Y13 A14 | A5-N11 WeakPolarHBondContact O-CB 3.5Å; A5-N11 PolarHBondContact O-ND2 3.06Å; L6-N11 WeakPolarHBondContact CA-ND2 3.25Å; L6-N11 PolarHBondContact N-ND2 3.16Å; N8-N11 HydrophobicContact CB-CB 4.22Å; N8-N11 VanDerWaalsContact O-CB 3.24Å; N8-N11 WeakPolarHBondContact O-CB 3.48Å; N8-N11 PolarHBondContact O-N 3.29Å; P9-N11 VanDerWaalsContact C-N 3.33Å; N11-Y13 PolarHBondContact O-N 3.19Å; N11-Y13 WeakPolarHBondContact OD1-CD2 3.33Å; N11-Y13 PolarHBondContact OD1-N 3.24Å; N11-A14 HydrophobicContact CB-CB 4.41Å; N11-A14 VanDerWaalsContact O-CB 3.25Å; N11-A14 WeakPolarHBondContact O-CB 3.49Å; N11-A14 PolarHBondContact O-N 3.26Å | ||
| 12 | P | 50.6 | Low | 64.6 | Low | 60 Ų | 60 | 67.6 Ų | 67.6 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -57.2 | -23.8 | 176.7 | 23.6 | -35.1 | 0 | 0 | 0 | 113.9 | A14 D77 | P12-A14 VanDerWaalsContact C-N 3.33Å; P12-A14 PolarHBondContact O-N 2.92Å; P12-D77 WeakPolarHBondContact O-CA 3.5Å |
| 13 | Y | 62.6 | Low | 66.7 | Low | 48 Ų | 48 | 67.8 Ų | 67.8 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -81.4 | -5.7 | 179.9 | -41.8 | -45.3 | 0 | 0 | 0 | 114.1 | L6 N11 S15 G16 W82 L89 | L6-Y13 VanDerWaalsContact CD2-O 3.31Å; L6-Y13 WeakPolarHBondContact CD2-O 3.1Å; N11-Y13 PolarHBondContact O-N 3.19Å; N11-Y13 WeakPolarHBondContact OD1-CD2 3.33Å; N11-Y13 PolarHBondContact OD1-N 3.24Å; Y13-S15 PolarHBondContact O-N 2.58Å; Y13-S15 VanDerWaalsContact O-N 3.15Å; Y13-G16 PolarHBondContact O-N 2.99Å; Y13-W82 AromaticContact CD1-CE2 3.93Å; Y13-W82 AromaticContact CD1-CH2 3.49Å; Y13-W82 HydrophobicContact CD1-CH2 3.49Å; Y13-W82 VanDerWaalsContact CD1-CH2 3.49Å; Y13-W82 AromaticContact CD1-CZ2 3.34Å; Y13-W82 HydrophobicContact CD1-CZ2 3.34Å; Y13-W82 HydrophobicContact CD1-CZ3 4.18Å; Y13-W82 AromaticContact CE1-CH2 3.76Å; Y13-W82 HydrophobicContact CE1-CH2 3.76Å; Y13-W82 HydrophobicContact CE1-CZ2 4.08Å; Y13-W82 HydrophobicContact CE1-CZ3 4.37Å; Y13-W82 HydrophobicContact CG-CH2 4.38Å; Y13-W82 HydrophobicContact CG-CZ2 4.08Å; Y13-W82 PolarHBondContact O-NE1 3.08Å; Y13-L89 HydrophobicContact CD2-CD2 3.53Å; Y13-L89 HydrophobicContact CE2-CD2 4.07Å; Y13-L89 HydrophobicContact CG-CD2 3.97Å |
| 14 | A | 55.6 | Low | 68.9 | Low | 46 Ų | 46 | 71.1 Ų | 71.1 | 38% | 0.38 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -70.4 | -8.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | N11 P12 | N11-A14 HydrophobicContact CB-CB 4.41Å; N11-A14 VanDerWaalsContact O-CB 3.25Å; N11-A14 WeakPolarHBondContact O-CB 3.49Å; N11-A14 PolarHBondContact O-N 3.26Å; P12-A14 VanDerWaalsContact C-N 3.33Å; P12-A14 PolarHBondContact O-N 2.92Å |
| 15 | S | 67.4 | Low | 70.9 | Confident | 82 Ų | 82 | 72.6 Ų | 72.6 | 57% | 0.573 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -81.3 | -25.9 | 176.7 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | Y13 D77 | Y13-S15 PolarHBondContact O-N 2.58Å; Y13-S15 VanDerWaalsContact O-N 3.15Å; S15-D77 PolarHBondContact OG-O 2.81Å |
| 16 | G | 76.3 | Confident | 72.8 | Confident | 11 Ų | 11 | 71.9 Ų | 71.9 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -93.8 | 149.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y13 V79 P80 | Y13-G16 PolarHBondContact O-N 2.99Å; G16-V79 VanDerWaalsContact CA-O 3.32Å; G16-V79 WeakPolarHBondContact CA-O 3.21Å; G16-P80 WeakPolarHBondContact CA-O 3.49Å |
| 17 | R | 89.2 | Confident | 74.6 | Confident | 80 Ų | 80 | 73.2 Ų | 73.2 | 30% | 0.302 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 141.3 | 175.9 | -60.3 | 176.7 | -62.3 | 110.8 | 1 | 110.3 | P80 C81 W82 R170 D204 D206 | R17-P80 PolarHBondContact N-O 2.79Å; R17-C81 HydrophobicContact CB-CB 4.5Å; R17-C81 CarbonylContact O-C 3.57Å; R17-C81 VanDerWaalsContact O-CA 3.26Å; R17-C81 WeakPolarHBondContact O-CA 3.49Å; R17-C81 PolarHBondContact O-SG 3.25Å; R17-W82 PolarHBondContact O-N 3.14Å; R17-R170 VanDerWaalsContact NH2-NH2 3.12Å; R17-D204 IonicContact CZ-OD2 2.76Å; R17-D204 IonicContact NE-OD2 2.73Å; R17-D204 IonicContact NH1-OD1 2.56Å; R17-D204 IonicContact NH1-OD2 3.43Å; R17-D204 PolarHBondContact NH1-OD2 2.93Å; R17-D204 IonicContact NH2-OD2 3.57Å; R17-D204 PolarHBondContact NH2-OD2 2.61Å; R17-D206 IonicContact CZ-OD2 2.73Å; R17-D206 IonicContact NE-OD1 3.35Å; R17-D206 IonicContact NE-OD2 3.56Å; R17-D206 IonicContact NH2-OD2 3.77Å; R17-D206 PolarHBondContact NH2-OD2 3.46Å |
| 18 | L | 91.9 | Very high | 76.5 | Confident | 55 Ų | 55 | 67.5 Ų | 67.5 | 29% | 0.288 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 128.1 | 178.4 | -175.4 | 67.7 | 0 | 0 | 0 | 112.4 | L6 W82 L84 L89 | L6-L18 HydrophobicContact CD1-CB 4.21Å; L6-L18 HydrophobicContact CD1-CD1 3.67Å; L6-L18 HydrophobicContact CD1-CD2 3.71Å; L6-L18 HydrophobicContact CD1-CG 4.06Å; L18-W82 HydrophobicContact CD1-CB 4.24Å; L18-L84 HydrophobicContact CD1-CB 4.14Å; L18-L89 HydrophobicContact CD1-CD1 3.66Å |
| 19 | V | 93.1 | Very high | 78.4 | Confident | 28 Ų | 28 | 72.6 Ų | 72.6 | 17% | 0.17 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 159.3 | 162 | -65.2 | 0 | 0 | 0 | 0 | 111 | W82 C83 L84 I92 F196 | V19-W82 WeakPolarHBondContact CG2-O 3.18Å; V19-W82 PolarHBondContact N-O 2.84Å; V19-C83 HydrophobicContact CG2-CB 4.03Å; V19-L84 PolarHBondContact O-N 3.46Å; V19-I92 HydrophobicContact CG2-CD1 3.94Å; V19-I92 HydrophobicContact CG2-CG1 4.43Å; V19-F196 HydrophobicContact CB-CE2 4.45Å; V19-F196 HydrophobicContact CG2-CD2 4.46Å; V19-F196 HydrophobicContact CG2-CE2 3.85Å |
| 20 | R | 94.1 | Very high | 80.3 | Confident | 111 Ų | 111 | 68.8 Ų | 68.8 | 42% | 0.419 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 138.7 | -178.5 | -65.3 | 175.1 | 178.2 | -90.2 | -11 | 110.2 | H3 L84 | H3-R20 PolarHBondContact CD2-NH2 2.64Å; R20-L84 HydrophobicContact CG-CB 4.34Å |
| 21 | R | 93.5 | Very high | 82.2 | Confident | 75 Ų | 75 | 68 Ų | 68 | 28% | 0.283 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 167.3 | 173.8 | -64.8 | -62.6 | -174.9 | -108.1 | 10.1 | 109.2 | L26 L84 L85 F196 E198 | R21-L26 HydrophobicContact CB-CD1 3.96Å; R21-L26 HydrophobicContact CB-CG 4.19Å; R21-L26 HydrophobicContact CG-CD1 4.11Å; R21-L26 HydrophobicContact CG-CD2 4.25Å; R21-L26 HydrophobicContact CG-CG 4.36Å; R21-L84 PolarHBondContact N-O 3.16Å; R21-L85 HydrophobicContact CB-CD1 3.86Å; R21-F196 HydrophobicContact CG-CE1 3.96Å; R21-F196 HydrophobicContact CG-CE2 3.86Å; R21-F196 HydrophobicContact CG-CZ 3.47Å; R21-F196 VanDerWaalsContact CG-CZ 3.47Å; R21-E198 IonicContact CZ-OE1 3.61Å; R21-E198 IonicContact NH1-OE1 3.59Å; R21-E198 IonicContact NH2-OE1 2.84Å; R21-E198 PolarHBondContact NH2-OE1 3.44Å |
| 22 | S | 91.5 | Very high | 83.9 | Confident | 26 Ų | 26 | 68.9 Ų | 68.9 | 18% | 0.182 | 37% | 0.37 | C | S | . | . | trans | -105.8 | 158.7 | 157.8 | 73.7 | 0 | 0 | 0 | 0 | 111.2 | Q24 D25 L26 L85 D86 | S22-Q24 PolarHBondContact O-N 3.04Å; S22-Q24 PolarHBondContact OG-N 3.28Å; S22-D25 WeakPolarHBondContact CB-OD2 3.35Å; S22-D25 PolarHBondContact N-OD2 3.19Å; S22-D25 PolarHBondContact O-N 2.81Å; S22-D25 PolarHBondContact OG-N 3.18Å; S22-D25 PolarHBondContact OG-OD2 3.36Å; S22-L26 PolarHBondContact O-N 3.14Å; S22-L85 VanDerWaalsContact C-CD1 3.43Å; S22-D86 WeakPolarHBondContact CA-OD1 3.23Å; S22-D86 VanDerWaalsContact CB-OD1 3.25Å; S22-D86 WeakPolarHBondContact CB-OD1 3.33Å | ||
| 23 | S | 90.4 | Very high | 86.1 | Confident | 33 Ų | 33 | 67.6 Ų | 67.6 | 23% | 0.231 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.2 | -31.9 | 171.6 | 64.9 | 0 | 0 | 0 | 0 | 111.7 | L26 G27 L28 D86 | S23-L26 PolarHBondContact O-N 3.36Å; S23-G27 PolarHBondContact O-N 3.32Å; S23-L28 WeakPolarHBondContact CB-O 3.4Å; S23-L28 PolarHBondContact O-N 3.36Å; S23-L28 VanDerWaalsContact O-N 3.16Å; S23-D86 WeakPolarHBondContact CB-OD2 3.36Å; S23-D86 PolarHBondContact N-OD1 2.89Å; S23-D86 PolarHBondContact N-OD2 3.29Å; S23-D86 PolarHBondContact OG-OD2 3.02Å |
| 24 | Q | 89.9 | Confident | 87.6 | Confident | 174 Ų | 174 | 71 Ų | 71 | 81% | 0.813 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.2 | -42.6 | 177.1 | -176 | 176.5 | -4.3 | 0 | 0 | 112.5 | S22 L26 G27 | S22-Q24 PolarHBondContact O-N 3.04Å; S22-Q24 PolarHBondContact OG-N 3.28Å; Q24-L26 VanDerWaalsContact C-N 3.29Å; Q24-L26 PolarHBondContact O-N 2.83Å; Q24-G27 PolarHBondContact O-N 2.86Å |
| 25 | D | 88.5 | Confident | 89.4 | Confident | 125 Ų | 125 | 70.2 Ų | 70.2 | 67% | 0.668 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.2 | -31.2 | 178 | -60.3 | -50 | 0 | 0 | 0 | 112.4 | S22 | S22-D25 WeakPolarHBondContact CB-OD2 3.35Å; S22-D25 PolarHBondContact N-OD2 3.19Å; S22-D25 PolarHBondContact O-N 2.81Å; S22-D25 PolarHBondContact OG-N 3.18Å; S22-D25 PolarHBondContact OG-OD2 3.36Å |
| 26 | L | 90.3 | Very high | 90.7 | Very high | 26 Ų | 26 | 71.9 Ų | 71.9 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -90.1 | -16.6 | -180 | -60.3 | -179.1 | 0 | 0 | 0 | 113.2 | R21 S22 S23 Q24 L28 L85 V95 M99 F196 L332 | R21-L26 HydrophobicContact CB-CD1 3.96Å; R21-L26 HydrophobicContact CB-CG 4.19Å; R21-L26 HydrophobicContact CG-CD1 4.11Å; R21-L26 HydrophobicContact CG-CD2 4.25Å; R21-L26 HydrophobicContact CG-CG 4.36Å; S22-L26 PolarHBondContact O-N 3.14Å; S23-L26 PolarHBondContact O-N 3.36Å; Q24-L26 VanDerWaalsContact C-N 3.29Å; Q24-L26 PolarHBondContact O-N 2.83Å; L26-L28 HydrophobicContact CB-CD1 3.74Å; L26-L28 HydrophobicContact CB-CG 3.76Å; L26-L28 HydrophobicContact CD1-CD1 4.01Å; L26-L85 HydrophobicContact CD1-CD1 3.91Å; L26-V95 HydrophobicContact CD1-CG1 3.79Å; L26-M99 HydrophobicContact CD1-SD 4.44Å; L26-M99 HydrophobicContact CD2-CE 4.27Å; L26-M99 HydrophobicContact CD2-SD 4.4Å; L26-F196 HydrophobicContact CD1-CE1 4.02Å; L26-F196 HydrophobicContact CD1-CZ 4.33Å; L26-F196 HydrophobicContact CD2-CD1 4.4Å; L26-F196 HydrophobicContact CD2-CE1 3.83Å; L26-L332 VanDerWaalsContact O-CD1 3.29Å; L26-L332 WeakPolarHBondContact O-CD1 3.48Å |
| 27 | G | 89.5 | Confident | 91.6 | Very high | 58 Ų | 58 | 80 Ų | 80 | 60% | 0.598 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 28.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S23 Q24 | S23-G27 PolarHBondContact O-N 3.32Å; Q24-G27 PolarHBondContact O-N 2.86Å |
| 28 | L | 87.8 | Confident | 91.9 | Very high | 25 Ų | 25 | 77.9 Ų | 77.9 | 13% | 0.131 | 39% | 0.387 | C | S | . | . | trans | -116.2 | 166.4 | -170.7 | -51.9 | 174.9 | 0 | 0 | 0 | 112.8 | S23 L26 V98 M99 L332 | S23-L28 WeakPolarHBondContact CB-O 3.4Å; S23-L28 PolarHBondContact O-N 3.36Å; S23-L28 VanDerWaalsContact O-N 3.16Å; L26-L28 HydrophobicContact CB-CD1 3.74Å; L26-L28 HydrophobicContact CB-CG 3.76Å; L26-L28 HydrophobicContact CD1-CD1 4.01Å; L28-V98 HydrophobicContact CB-CG1 4.26Å; L28-V98 HydrophobicContact CD1-CG1 4.11Å; L28-V98 HydrophobicContact CD2-CG1 4.29Å; L28-V98 HydrophobicContact CG-CG1 4.44Å; L28-M99 HydrophobicContact CD1-CG 3.49Å; L28-M99 VanDerWaalsContact CD1-CG 3.49Å; L28-L332 HydrophobicContact CD2-CD1 4.43Å | ||
| 29 | Q | 86.8 | Confident | 92.2 | Very high | 185 Ų | 185 | 75.4 Ų | 75.4 | 86% | 0.864 | 37% | 0.374 | S | S | * | . | trans | -124.6 | 131 | 156.6 | -64.5 | 179.9 | 6.4 | 0 | 0 | 107.3 | ||||
| 30 | V | 88.5 | Confident | 92.3 | Very high | 34 Ų | 34 | 77.9 Ų | 77.9 | 21% | 0.206 | 39% | 0.386 | C | S | . | . | trans | -120 | 115.4 | 178.6 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | V32 L85 M90 V94 V98 | V30-V32 HydrophobicContact CG1-CG2 4.24Å; V30-L85 HydrophobicContact CB-CD2 4.07Å; V30-L85 HydrophobicContact CG2-CD2 3.56Å; V30-M90 HydrophobicContact CB-SD 4.5Å; V30-M90 HydrophobicContact CG1-CE 4.24Å; V30-M90 HydrophobicContact CG1-SD 3.77Å; V30-V94 HydrophobicContact CG1-CG1 4.04Å; V30-V98 HydrophobicContact CG1-CG2 4.32Å; V30-V98 HydrophobicContact CG2-CB 4.32Å; V30-V98 HydrophobicContact CG2-CG1 4.11Å; V30-V98 HydrophobicContact CG2-CG2 4.22Å | ||
| 31 | E | 91 | Very high | 92.4 | Very high | 127 Ų | 127 | 79.7 Ų | 79.7 | 59% | 0.593 | 39% | 0.393 | S | S | * | . | trans | -96.2 | 133.9 | 172.5 | -166.8 | 170.8 | -145.1 | 0 | 0 | 109.5 | Y33 | E31-Y33 HydrophobicContact CG-CE1 4.23Å; E31-Y33 HydrophobicContact CG-CE2 3.93Å; E31-Y33 PolarHBondContact OE1-OH 2.95Å; E31-Y33 PolarHBondContact OE2-OH 3.28Å | ||
| 32 | V | 93.8 | Very high | 92.6 | Very high | 38 Ų | 38 | 79.2 Ų | 79.2 | 23% | 0.23 | 39% | 0.391 | C | S | . | . | trans | -131.9 | 131.6 | 174.8 | 177.8 | 0 | 0 | 0 | 0 | 107.8 | V30 M90 A112 N114 W119 | V30-V32 HydrophobicContact CG1-CG2 4.24Å; V32-M90 HydrophobicContact CG2-CE 4.17Å; V32-A112 WeakPolarHBondContact CA-O 3.43Å; V32-A112 HydrophobicContact CG2-CB 4.45Å; V32-N114 HydrophobicContact CG1-CB 4.02Å; V32-W119 HydrophobicContact CB-CZ3 4.48Å; V32-W119 HydrophobicContact CG1-CE3 4.46Å; V32-W119 HydrophobicContact CG1-CH2 3.79Å; V32-W119 HydrophobicContact CG1-CZ3 3.52Å; V32-W119 HydrophobicContact CG2-CH2 4.49Å; V32-W119 HydrophobicContact CG2-CZ3 4.08Å | ||
| 33 | Y | 96.3 | Very high | 92.9 | Very high | 33 Ų | 33 | 78 Ų | 78 | 13% | 0.129 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 134.3 | -178.7 | -66.1 | -76.4 | 0 | 0 | 0 | 111.2 | E31 E38 R42 D111 A112 F113 N114 | E31-Y33 HydrophobicContact CG-CE1 4.23Å; E31-Y33 HydrophobicContact CG-CE2 3.93Å; E31-Y33 PolarHBondContact OE1-OH 2.95Å; E31-Y33 PolarHBondContact OE2-OH 3.28Å; Y33-E38 HydrophobicContact CD1-CG 3.98Å; Y33-E38 HydrophobicContact CG-CG 4.28Å; Y33-R42 VanDerWaalsContact CE1-CZ 3.46Å; Y33-R42 VanDerWaalsContact CE2-NH1 3.34Å; Y33-R42 VanDerWaalsContact OH-CZ 3.32Å; Y33-R42 PolarHBondContact OH-NH1 2.84Å; Y33-R42 PolarHBondContact OH-NH2 3.27Å; Y33-D111 HydrophobicContact CD2-CB 4.41Å; Y33-D111 HydrophobicContact CE2-CB 4.43Å; Y33-D111 VanDerWaalsContact CE2-OD1 3.22Å; Y33-D111 WeakPolarHBondContact CE2-OD1 3.34Å; Y33-A112 PolarHBondContact N-O 2.91Å; Y33-F113 HydrophobicContact CD2-CE1 4.14Å; Y33-F113 HydrophobicContact CD2-CZ 4.25Å; Y33-F113 HydrophobicContact CG-CD1 4.29Å; Y33-F113 AromaticContact CG-CE1 3.98Å; Y33-F113 HydrophobicContact CG-CE1 3.98Å; Y33-F113 CarbonylContact O-C 3.59Å; Y33-F113 VanDerWaalsContact O-CA 3.24Å; Y33-F113 WeakPolarHBondContact O-CA 3.33Å; Y33-N114 PolarHBondContact O-N 2.82Å |
| 34 | E | 95.1 | Very high | 93.2 | Very high | 120 Ų | 120 | 80.6 Ų | 80.6 | 56% | 0.561 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 124.5 | -176 | -71.4 | -66.9 | 154.9 | 0 | 0 | 111.8 | N114 | E34-N114 VanDerWaalsContact CD-ND2 3.32Å; E34-N114 WeakPolarHBondContact OE1-CB 3.39Å; E34-N114 PolarHBondContact OE1-ND2 2.73Å; E34-N114 PolarHBondContact OE2-ND2 2.73Å |
| 35 | G | 93.4 | Very high | 93.3 | Very high | 28 Ų | 28 | 75.4 Ų | 75.4 | 29% | 0.289 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 91.2 | 144.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y37 E38 N114 | G35-Y37 PolarHBondContact O-N 3.49Å; G35-Y37 VanDerWaalsContact O-N 3.14Å; G35-E38 PolarHBondContact O-N 3.21Å; G35-E38 VanDerWaalsContact O-N 3.13Å; G35-N114 PolarHBondContact N-O 3.35Å |
| 36 | Y | 94.1 | Very high | 93.4 | Very high | 118 Ų | 118 | 71.4 Ų | 71.4 | 46% | 0.463 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60 | -25 | -178.3 | -174.1 | -123.3 | 0 | 0 | 0 | 114.2 | F39 L40 F115 | Y36-F39 AromaticContact CD2-CD1 3.94Å; Y36-F39 HydrophobicContact CD2-CD1 3.94Å; Y36-F39 AromaticContact CE2-CD1 3.71Å; Y36-F39 HydrophobicContact CE2-CD1 3.71Å; Y36-F39 HydrophobicContact CE2-CE1 4.13Å; Y36-F39 WeakPolarHBondContact O-CB 3.49Å; Y36-F39 PolarHBondContact O-N 3.31Å; Y36-L40 HydrophobicContact CD1-CD1 3.94Å; Y36-L40 HydrophobicContact CD1-CG 4.32Å; Y36-L40 HydrophobicContact CE1-CD1 3.54Å; Y36-L40 HydrophobicContact CE1-CD2 4.39Å; Y36-L40 HydrophobicContact CE1-CG 3.99Å; Y36-L40 HydrophobicContact CE2-CD2 4.33Å; Y36-L40 HydrophobicContact CE2-CG 4.28Å; Y36-L40 PolarHBondContact O-N 3.49Å; Y36-F115 HydrophobicContact CD2-CD2 4.4Å; Y36-F115 HydrophobicContact CD2-CE1 4.17Å; Y36-F115 AromaticContact CD2-CE2 3.89Å; Y36-F115 HydrophobicContact CD2-CE2 3.89Å; Y36-F115 AromaticContact CD2-CZ 3.77Å; Y36-F115 HydrophobicContact CD2-CZ 3.77Å |
| 37 | Y | 94.5 | Very high | 93.2 | Very high | 180 Ų | 180 | 77.3 Ų | 77.3 | 71% | 0.706 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.1 | -38.8 | 176.1 | -176.4 | -111.2 | 0 | 0 | 0 | 112.8 | G35 F39 L40 R41 | G35-Y37 PolarHBondContact O-N 3.49Å; G35-Y37 VanDerWaalsContact O-N 3.14Å; Y37-F39 VanDerWaalsContact C-N 3.33Å; Y37-L40 PolarHBondContact O-N 3.18Å; Y37-R41 HydrophobicContact CD1-CG 4.49Å; Y37-R41 HydrophobicContact CE1-CG 4.16Å; Y37-R41 WeakPolarHBondContact O-CG 3.43Å; Y37-R41 PolarHBondContact O-N 3.01Å |
| 38 | E | 96.3 | Very high | 92.9 | Very high | 37 Ų | 37 | 80.3 Ų | 80.3 | 17% | 0.173 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -70.7 | -32.7 | 177.4 | -174 | 57.7 | -162.2 | 0 | 0 | 111.5 | Y33 G35 R41 R42 F113 | Y33-E38 HydrophobicContact CD1-CG 3.98Å; Y33-E38 HydrophobicContact CG-CG 4.28Å; G35-E38 PolarHBondContact O-N 3.21Å; G35-E38 VanDerWaalsContact O-N 3.13Å; E38-R41 PolarHBondContact O-N 3.44Å; E38-R41 IonicContact OE1-NH1 2.83Å; E38-R41 WeakPolarHBondContact OE2-CD 3.37Å; E38-R41 IonicContact OE2-CZ 2.76Å; E38-R41 IonicContact OE2-NE 3.46Å; E38-R41 IonicContact OE2-NH1 3.84Å; E38-R41 PolarHBondContact OE2-NH1 3.01Å; E38-R42 WeakPolarHBondContact O-CG 3.48Å; E38-R42 PolarHBondContact O-N 3.3Å; E38-R42 IonicContact OE1-CZ 2.77Å; E38-R42 IonicContact OE1-NE 3.23Å; E38-R42 PolarHBondContact OE1-NE 3.2Å; E38-R42 IonicContact OE1-NH2 3.6Å; E38-R42 PolarHBondContact OE1-NH2 3.35Å; E38-F113 HydrophobicContact CB-CE1 4.41Å; E38-F113 HydrophobicContact CG-CE1 4.18Å |
| 39 | F | 97.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 84.8 Ų | 84.8 | 1% | 0.013 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.1 | -53.1 | 169 | 172.8 | -98.6 | 0 | 0 | 0 | 111.2 | Y36 Y37 R41 R42 Y43 L45 V71 F113 F115 V122 | Y36-F39 AromaticContact CD2-CD1 3.94Å; Y36-F39 HydrophobicContact CD2-CD1 3.94Å; Y36-F39 AromaticContact CE2-CD1 3.71Å; Y36-F39 HydrophobicContact CE2-CD1 3.71Å; Y36-F39 HydrophobicContact CE2-CE1 4.13Å; Y36-F39 WeakPolarHBondContact O-CB 3.49Å; Y36-F39 PolarHBondContact O-N 3.31Å; Y37-F39 VanDerWaalsContact C-N 3.33Å; F39-R41 VanDerWaalsContact C-N 3.25Å; F39-R41 PolarHBondContact O-N 3.46Å; F39-R42 CarbonylContact O-C 3.35Å; F39-R42 PolarHBondContact O-N 3.21Å; F39-Y43 AromaticContact CD2-CD2 3.88Å; F39-Y43 HydrophobicContact CD2-CD2 3.88Å; F39-Y43 HydrophobicContact CD2-CG 4.37Å; F39-Y43 AromaticContact CE2-CD2 3.93Å; F39-Y43 HydrophobicContact CE2-CD2 3.93Å; F39-Y43 HydrophobicContact CE2-CG 4Å; F39-Y43 PolarHBondContact O-N 3.45Å; F39-L45 HydrophobicContact CE1-CB 4.34Å; F39-L45 HydrophobicContact CE1-CD1 4.4Å; F39-L45 HydrophobicContact CZ-CD1 4.08Å; F39-V71 HydrophobicContact CE2-CG1 4.13Å; F39-V71 HydrophobicContact CE2-CG2 4.02Å; F39-V71 HydrophobicContact CZ-CG1 4.31Å; F39-V71 HydrophobicContact CZ-CG2 4.11Å; F39-F113 VanDerWaalsContact CA-CE1 3.42Å; F39-F113 HydrophobicContact CB-CD1 3.72Å; F39-F113 HydrophobicContact CB-CD2 4.46Å; F39-F113 HydrophobicContact CB-CE1 3.89Å; F39-F113 HydrophobicContact CB-CG 4.06Å; F39-F113 HydrophobicContact CB-CZ 4.33Å; F39-F113 AromaticContact CD2-CD2 3.87Å; F39-F113 HydrophobicContact CD2-CD2 3.87Å; F39-F113 AromaticContact CD2-CE2 3.83Å; F39-F113 HydrophobicContact CD2-CE2 3.83Å; F39-F113 HydrophobicContact CD2-CG 4.29Å; F39-F113 HydrophobicContact CD2-CZ 4.22Å; F39-F115 HydrophobicContact CB-CE1 3.83Å; F39-F115 HydrophobicContact CB-CZ 3.76Å; F39-F115 HydrophobicContact CD1-CZ 4.31Å; F39-F115 HydrophobicContact CD2-CZ 4.35Å; F39-F115 HydrophobicContact CG-CE1 4.46Å; F39-F115 AromaticContact CG-CZ 3.88Å; F39-F115 HydrophobicContact CG-CZ 3.88Å; F39-V122 HydrophobicContact CD2-CG2 4.43Å; F39-V122 HydrophobicContact CE2-CG2 4.11Å |
| 40 | L | 95.8 | Very high | 91.3 | Very high | 80 Ų | 80 | 76.6 Ų | 76.6 | 42% | 0.419 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.2 | -24.8 | -179.8 | -71.2 | -178.3 | 0 | 0 | 0 | 114.2 | Y36 Y37 R42 | Y36-L40 HydrophobicContact CD1-CD1 3.94Å; Y36-L40 HydrophobicContact CD1-CG 4.32Å; Y36-L40 HydrophobicContact CE1-CD1 3.54Å; Y36-L40 HydrophobicContact CE1-CD2 4.39Å; Y36-L40 HydrophobicContact CE1-CG 3.99Å; Y36-L40 HydrophobicContact CE2-CD2 4.33Å; Y36-L40 HydrophobicContact CE2-CG 4.28Å; Y36-L40 PolarHBondContact O-N 3.49Å; Y37-L40 PolarHBondContact O-N 3.18Å; L40-R42 VanDerWaalsContact C-N 3.28Å |
| 41 | R | 96.8 | Very high | 90.1 | Very high | 148 Ų | 148 | 77.4 Ų | 77.4 | 56% | 0.558 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.2 | -28 | 171.2 | -74.6 | 178.3 | 70.7 | -142.3 | 0.4 | 112.9 | Y37 E38 F39 | Y37-R41 HydrophobicContact CD1-CG 4.49Å; Y37-R41 HydrophobicContact CE1-CG 4.16Å; Y37-R41 WeakPolarHBondContact O-CG 3.43Å; Y37-R41 PolarHBondContact O-N 3.01Å; E38-R41 PolarHBondContact O-N 3.44Å; E38-R41 IonicContact OE1-NH1 2.83Å; E38-R41 WeakPolarHBondContact OE2-CD 3.37Å; E38-R41 IonicContact OE2-CZ 2.76Å; E38-R41 IonicContact OE2-NE 3.46Å; E38-R41 IonicContact OE2-NH1 3.84Å; E38-R41 PolarHBondContact OE2-NH1 3.01Å; F39-R41 VanDerWaalsContact C-N 3.25Å; F39-R41 PolarHBondContact O-N 3.46Å |
| 42 | R | 97.6 | Very high | 88.6 | Confident | 66 Ų | 66 | 72.9 Ų | 72.9 | 25% | 0.249 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -105.1 | -29.3 | -172.9 | -68.9 | 171.5 | 171.4 | -120.2 | -2.6 | 113.7 | Y33 E38 F39 L40 R62 T63 D111 | Y33-R42 VanDerWaalsContact CE1-CZ 3.46Å; Y33-R42 VanDerWaalsContact CE2-NH1 3.34Å; Y33-R42 VanDerWaalsContact OH-CZ 3.32Å; Y33-R42 PolarHBondContact OH-NH1 2.84Å; Y33-R42 PolarHBondContact OH-NH2 3.27Å; E38-R42 WeakPolarHBondContact O-CG 3.48Å; E38-R42 PolarHBondContact O-N 3.3Å; E38-R42 IonicContact OE1-CZ 2.77Å; E38-R42 IonicContact OE1-NE 3.23Å; E38-R42 PolarHBondContact OE1-NE 3.2Å; E38-R42 IonicContact OE1-NH2 3.6Å; E38-R42 PolarHBondContact OE1-NH2 3.35Å; F39-R42 CarbonylContact O-C 3.35Å; F39-R42 PolarHBondContact O-N 3.21Å; L40-R42 VanDerWaalsContact C-N 3.28Å; R42-R62 CarbonylContact O-C 3.55Å; R42-R62 WeakPolarHBondContact O-CA 3.36Å; R42-T63 PolarHBondContact O-N 3.31Å; R42-T63 PolarHBondContact O-OG1 2.73Å; R42-D111 IonicContact NH1-OD1 3.1Å; R42-D111 PolarHBondContact NH1-OD1 3.44Å; R42-D111 IonicContact NH1-OD2 3.71Å; R42-D111 PolarHBondContact NH1-OD2 2.66Å |
| 43 | Y | 97.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 134.7 | -172.7 | -61.6 | -79.9 | 0 | 0 | 0 | 111.7 | F39 R61 R62 V69 D111 F113 V122 | F39-Y43 AromaticContact CD2-CD2 3.88Å; F39-Y43 HydrophobicContact CD2-CD2 3.88Å; F39-Y43 HydrophobicContact CD2-CG 4.37Å; F39-Y43 AromaticContact CE2-CD2 3.93Å; F39-Y43 HydrophobicContact CE2-CD2 3.93Å; F39-Y43 HydrophobicContact CE2-CG 4Å; F39-Y43 PolarHBondContact O-N 3.45Å; Y43-R61 CarbonylContact C-O 3.59Å; Y43-R61 WeakPolarHBondContact CA-O 3.46Å; Y43-R62 HydrophobicContact CD1-CB 3.89Å; Y43-R62 HydrophobicContact CD1-CG 4.11Å; Y43-R62 HydrophobicContact CE1-CB 3.58Å; Y43-R62 HydrophobicContact CE1-CG 3.55Å; Y43-V69 HydrophobicContact CD1-CG2 3.65Å; Y43-V69 HydrophobicContact CE1-CG1 4.19Å; Y43-V69 HydrophobicContact CE1-CG2 3.8Å; Y43-D111 HydrophobicContact CE2-CB 4.2Å; Y43-D111 WeakPolarHBondContact CE2-OD2 3.43Å; Y43-D111 VanDerWaalsContact CZ-OD2 3.3Å; Y43-D111 PolarHBondContact OH-OD2 3.19Å; Y43-F113 HydrophobicContact CD2-CE2 4.03Å; Y43-F113 AromaticContact CD2-CZ 3.98Å; Y43-F113 HydrophobicContact CD2-CZ 3.98Å; Y43-F113 AromaticContact CE2-CE2 3.76Å; Y43-F113 HydrophobicContact CE2-CE2 3.76Å; Y43-F113 AromaticContact CE2-CZ 3.76Å; Y43-F113 HydrophobicContact CE2-CZ 3.76Å; Y43-V122 HydrophobicContact CD1-CG1 4.23Å; Y43-V122 HydrophobicContact CD2-CG2 4.5Å; Y43-V122 HydrophobicContact CE1-CG1 3.73Å; Y43-V122 HydrophobicContact CE2-CG1 4.29Å; Y43-V122 HydrophobicContact CE2-CG2 4.32Å |
| 44 | T | 96.1 | Very high | 84.9 | Confident | 87 Ų | 87 | 73.1 Ų | 73.1 | 53% | 0.534 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 111.9 | 166 | -56.1 | 0 | 0 | 0 | 0 | 108.1 | A60 R61 | T44-A60 CarbonylContact O-C 3.53Å; T44-A60 VanDerWaalsContact O-CA 3.27Å; T44-A60 WeakPolarHBondContact O-CA 3.05Å; T44-A60 WeakPolarHBondContact O-CB 3.48Å; T44-R61 PolarHBondContact N-O 2.72Å; T44-R61 PolarHBondContact O-N 2.86Å |
| 45 | L | 93.3 | Very high | 83.8 | Confident | 66 Ų | 66 | 68.1 Ų | 68.1 | 35% | 0.346 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 137.7 | 176.8 | -165.9 | 69.2 | 0 | 0 | 0 | 110.4 | F39 H58 A60 | F39-L45 HydrophobicContact CE1-CB 4.34Å; F39-L45 HydrophobicContact CE1-CD1 4.4Å; F39-L45 HydrophobicContact CZ-CD1 4.08Å; L45-H58 HydrophobicContact CD1-CB 3.58Å; L45-H58 HydrophobicContact CG-CB 4.41Å; L45-A60 HydrophobicContact CD1-CB 4.36Å |
| 46 | G | 90 | Very high | 83.3 | Confident | 41 Ų | 41 | 69.9 Ų | 69.9 | 42% | 0.423 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | -154 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H59 | G46-H59 CarbonylContact C-O 3.59Å; G46-H59 VanDerWaalsContact CA-O 3.28Å; G46-H59 WeakPolarHBondContact CA-O 3.27Å; G46-H59 PolarHBondContact N-O 2.85Å |
| 47 | E | 86.5 | Confident | 83.1 | Confident | 150 Ų | 150 | 66 Ų | 66 | 70% | 0.701 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 145.5 | -177.7 | -62.8 | -174.5 | 164.1 | 0 | 0 | 112.3 | F49 H59 | E47-F49 PolarHBondContact O-N 3.32Å; E47-H59 PolarHBondContact O-N 3.14Å |
| 48 | R | 83 | Confident | 82.9 | Confident | 120 Ų | 120 | 58.8 Ų | 58.8 | 45% | 0.453 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 112.2 | 176 | 178 | 164.9 | 153.7 | 175.8 | -8.8 | 109.4 | G50 S51 H56 V57 | R48-G50 WeakPolarHBondContact CG-O 3.16Å; R48-S51 PolarHBondContact NH2-OG 3.46Å; R48-H56 PolarHBondContact NH1-CD2 3.43Å; R48-H56 PolarHBondContact NH1-CE1 2.61Å; R48-H56 PolarHBondContact NH1-NE2 3.39Å; R48-H56 PolarHBondContact NH2-CE1 3.2Å; R48-H56 VanDerWaalsContact NH2-CE1 3.33Å; R48-H56 PolarHBondContact NH2-ND1 2.9Å; R48-V57 CarbonylContact C-O 3.59Å |
| 49 | F | 73.2 | Confident | 82.6 | Confident | 119 Ų | 119 | 59.5 Ų | 59.5 | 52% | 0.522 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -33.5 | 179.4 | -179.9 | -104.8 | 0 | 0 | 0 | 112.4 | E47 V57 H59 | E47-F49 PolarHBondContact O-N 3.32Å; F49-V57 HydrophobicContact CB-CG1 4.44Å; F49-V57 HydrophobicContact CD1-CG1 4.23Å; F49-V57 PolarHBondContact N-O 3.35Å; F49-H59 AromaticContact CD2-NE2 3.35Å; F49-H59 VanDerWaalsContact CD2-NE2 3.35Å; F49-H59 WeakPolarHBondContact CD2-NE2 3.43Å; F49-H59 AromaticContact CG-NE2 3.9Å |
| 50 | G | 67.3 | Low | 82.5 | Confident | 13 Ų | 13 | 59.5 Ų | 59.5 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | -177.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R48 V57 | R48-G50 WeakPolarHBondContact CG-O 3.16Å; G50-V57 PolarHBondContact N-O 3.43Å; G50-V57 VanDerWaalsContact N-O 3.1Å; G50-V57 PolarHBondContact O-N 3.13Å |
| 51 | S | 62.7 | Low | 82.5 | Confident | 51 Ų | 51 | 60 Ų | 60 | 36% | 0.357 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 150.9 | 172.1 | 44.2 | 0 | 0 | 0 | 0 | 111.4 | R48 G55 H56 | R48-S51 PolarHBondContact NH2-OG 3.46Å; S51-G55 WeakPolarHBondContact CA-O 3.43Å; S51-G55 WeakPolarHBondContact CB-O 3.35Å; S51-H56 WeakPolarHBondContact CB-ND1 3.44Å |
| 52 | G | 60.3 | Low | 82.6 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 33% | 0.33 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | -173.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F54 G55 D504 | G52-F54 PolarHBondContact O-N 3.24Å; G52-G55 PolarHBondContact N-O 3.02Å; G52-G55 VanDerWaalsContact N-O 3.09Å; G52-G55 PolarHBondContact O-N 3.03Å; G52-G55 VanDerWaalsContact O-O 3.11Å; G52-D504 WeakPolarHBondContact CA-O 3.22Å |
| 53 | G | 56.9 | Low | 82.5 | Confident | 30 Ų | 30 | 56.1 Ų | 56.1 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | D504 | G53-D504 PolarHBondContact N-O 2.95Š|
| 54 | F | 56.2 | Low | 82.5 | Confident | 47 Ų | 47 | 61 Ų | 61 | 21% | 0.206 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -17.5 | -179.5 | -56.5 | -72.3 | 0 | 0 | 0 | 114.2 | G52 | G52-F54 PolarHBondContact O-N 3.24Š|
| 55 | G | 70.1 | Confident | 82.5 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.5 | -141.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S51 G52 E73 | S51-G55 WeakPolarHBondContact CA-O 3.43Å; S51-G55 WeakPolarHBondContact CB-O 3.35Å; G52-G55 PolarHBondContact N-O 3.02Å; G52-G55 VanDerWaalsContact N-O 3.09Å; G52-G55 PolarHBondContact O-N 3.03Å; G52-G55 VanDerWaalsContact O-O 3.11Å; G55-E73 CarbonylContact C-O 3.55Å; G55-E73 VanDerWaalsContact CA-O 3.3Å; G55-E73 WeakPolarHBondContact CA-O 3.44Å |
| 56 | H | 83.7 | Confident | 82.6 | Confident | 65 Ų | 65 | 62.6 Ų | 62.6 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144.2 | -166.8 | -60.6 | -17.2 | 0 | 0 | 0 | 111.4 | R48 S51 K72 E73 | R48-H56 PolarHBondContact NH1-CD2 3.43Å; R48-H56 PolarHBondContact NH1-CE1 2.61Å; R48-H56 PolarHBondContact NH1-NE2 3.39Å; R48-H56 PolarHBondContact NH2-CE1 3.2Å; R48-H56 VanDerWaalsContact NH2-CE1 3.33Å; R48-H56 PolarHBondContact NH2-ND1 2.9Å; S51-H56 WeakPolarHBondContact CB-ND1 3.44Å; H56-K72 CarbonylContact O-C 3.39Å; H56-K72 WeakPolarHBondContact O-CA 3.42Å; H56-E73 PolarHBondContact N-O 3Å; H56-E73 PolarHBondContact O-N 2.65Å |
| 57 | V | 89.1 | Confident | 82.8 | Confident | 37 Ų | 37 | 64.2 Ų | 64.2 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.8 | -179.6 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | R48 F49 G50 V70 V71 K72 | R48-V57 CarbonylContact C-O 3.59Å; F49-V57 HydrophobicContact CB-CG1 4.44Å; F49-V57 HydrophobicContact CD1-CG1 4.23Å; F49-V57 PolarHBondContact N-O 3.35Å; G50-V57 PolarHBondContact N-O 3.43Å; G50-V57 VanDerWaalsContact N-O 3.1Å; G50-V57 PolarHBondContact O-N 3.13Å; V57-V70 HydrophobicContact CG1-CG1 3.49Å; V57-V70 VanDerWaalsContact CG1-CG1 3.49Å; V57-V71 WeakPolarHBondContact CA-O 3.48Å; V57-K72 HydrophobicContact CG2-CG 4.48Å |
| 58 | H | 90.7 | Very high | 83.2 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 13% | 0.125 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 146 | -175.7 | -67.3 | -112.1 | 0 | 0 | 0 | 111.1 | L45 V70 V71 | L45-H58 HydrophobicContact CD1-CB 3.58Å; L45-H58 HydrophobicContact CG-CB 4.41Å; H58-V70 CarbonylContact O-C 3.54Å; H58-V70 WeakPolarHBondContact O-CA 3.17Å; H58-V71 HydrophobicContact CB-CB 4.47Å; H58-V71 PolarHBondContact N-O 3.44Å; H58-V71 PolarHBondContact O-N 3.36Å |
| 59 | H | 91.2 | Very high | 83.8 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 146.5 | 155.3 | -68.6 | -72.4 | 0 | 0 | 0 | 109.1 | G46 E47 F49 Q125 | G46-H59 CarbonylContact C-O 3.59Å; G46-H59 VanDerWaalsContact CA-O 3.28Å; G46-H59 WeakPolarHBondContact CA-O 3.27Å; G46-H59 PolarHBondContact N-O 2.85Å; E47-H59 PolarHBondContact O-N 3.14Å; F49-H59 AromaticContact CD2-NE2 3.35Å; F49-H59 VanDerWaalsContact CD2-NE2 3.35Å; F49-H59 WeakPolarHBondContact CD2-NE2 3.43Å; F49-H59 AromaticContact CG-NE2 3.9Å; H59-Q125 PolarHBondContact CE1-NE2 2.77Å; H59-Q125 PolarHBondContact ND1-NE2 3.11Å; H59-Q125 PolarHBondContact ND1-OE1 3.48Å |
| 60 | A | 94.5 | Very high | 84.7 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 167.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T44 L45 V69 V71 | T44-A60 CarbonylContact O-C 3.53Å; T44-A60 VanDerWaalsContact O-CA 3.27Å; T44-A60 WeakPolarHBondContact O-CA 3.05Å; T44-A60 WeakPolarHBondContact O-CB 3.48Å; L45-A60 HydrophobicContact CD1-CB 4.36Å; A60-V69 HydrophobicContact CB-CG2 3.85Å; A60-V69 PolarHBondContact N-O 3.07Å; A60-V69 WeakPolarHBondContact O-CG2 3.31Å; A60-V69 PolarHBondContact O-N 3.36Å; A60-V69 VanDerWaalsContact O-O 3.1Å; A60-V71 HydrophobicContact CB-CG2 3.58Å |
| 61 | R | 96.1 | Very high | 86.1 | Confident | 89 Ų | 89 | 50.5 Ų | 50.5 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.1 | 177.7 | -174.3 | 179.4 | -53.1 | -69.2 | -13.5 | 110.4 | Y43 T44 T63 N66 K67 E68 | Y43-R61 CarbonylContact C-O 3.59Å; Y43-R61 WeakPolarHBondContact CA-O 3.46Å; T44-R61 PolarHBondContact N-O 2.72Å; T44-R61 PolarHBondContact O-N 2.86Å; R61-T63 PolarHBondContact O-N 2.9Å; R61-N66 VanDerWaalsContact CD-OD1 3.31Å; R61-N66 WeakPolarHBondContact CD-OD1 3.24Å; R61-N66 HydrophobicContact CG-CB 4.31Å; R61-N66 WeakPolarHBondContact CG-O 3.31Å; R61-N66 PolarHBondContact NH1-O 3.31Å; R61-K67 CarbonylContact C-O 3.6Å; R61-K67 WeakPolarHBondContact CA-O 3.47Å; R61-E68 IonicContact CZ-OE1 3.69Å; R61-E68 IonicContact CZ-OE2 3.12Å; R61-E68 IonicContact NH1-OE1 3.2Å; R61-E68 PolarHBondContact NH1-OE1 2.99Å; R61-E68 IonicContact NH1-OE2 3.77Å; R61-E68 PolarHBondContact NH1-OE2 3.06Å; R61-E68 VanDerWaalsContact NH1-OE2 3.11Å; R61-E68 VanDerWaalsContact NH2-CD 3.25Å; R61-E68 IonicContact NH2-OE1 2.86Å; R61-E68 PolarHBondContact NH2-OE1 3.09Å; R61-E68 IonicContact NH2-OE2 2.7Å; R61-E68 PolarHBondContact NH2-OE2 2.88Å |
| 62 | R | 97.4 | Very high | 87.6 | Confident | 62 Ų | 62 | 48.8 Ų | 48.8 | 23% | 0.234 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 121.7 | 173.8 | -166 | 166.3 | 61.6 | -177.4 | 1.9 | 110.6 | R42 Y43 S64 D65 N66 K67 | R42-R62 CarbonylContact O-C 3.55Å; R42-R62 WeakPolarHBondContact O-CA 3.36Å; Y43-R62 HydrophobicContact CD1-CB 3.89Å; Y43-R62 HydrophobicContact CD1-CG 4.11Å; Y43-R62 HydrophobicContact CE1-CB 3.58Å; Y43-R62 HydrophobicContact CE1-CG 3.55Å; R62-S64 VanDerWaalsContact C-N 3.28Å; R62-S64 WeakPolarHBondContact CG-OG 3.42Å; R62-S64 PolarHBondContact O-N 2.88Å; R62-D65 IonicContact CZ-OD1 2.97Å; R62-D65 IonicContact CZ-OD2 3.17Å; R62-D65 IonicContact NE-OD1 2.85Å; R62-D65 PolarHBondContact NE-OD1 3.4Å; R62-D65 IonicContact NE-OD2 3.18Å; R62-D65 IonicContact NH2-OD1 2.74Å; R62-D65 IonicContact NH2-OD2 2.74Å; R62-D65 PolarHBondContact NH2-OD2 2.86Å; R62-N66 WeakPolarHBondContact O-CA 3.05Å; R62-N66 PolarHBondContact O-N 3.13Å; R62-K67 HydrophobicContact CB-CB 4.28Å; R62-K67 PolarHBondContact N-O 3.04Å |
| 63 | T | 96.8 | Very high | 89.2 | Confident | 72 Ų | 72 | 50.1 Ų | 50.1 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -23.9 | -170.3 | -52.8 | 0 | 0 | 0 | 0 | 113.3 | R42 R61 | R42-T63 PolarHBondContact O-N 3.31Å; R42-T63 PolarHBondContact O-OG1 2.73Å; R61-T63 PolarHBondContact O-N 2.9Å |
| 64 | S | 96.9 | Very high | 90.9 | Very high | 101 Ų | 101 | 49 Ų | 49 | 71% | 0.706 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -33.3 | -178.5 | 50 | 0 | 0 | 0 | 0 | 115 | R62 | R62-S64 VanDerWaalsContact C-N 3.28Å; R62-S64 WeakPolarHBondContact CG-OG 3.42Å; R62-S64 PolarHBondContact O-N 2.88Å |
| 65 | D | 96.7 | Very high | 92.6 | Very high | 79 Ų | 79 | 52.8 Ų | 52.8 | 42% | 0.422 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144 | 6 | -166.8 | 61.9 | -30.5 | 0 | 0 | 0 | 113.4 | R62 K67 | R62-D65 IonicContact CZ-OD1 2.97Å; R62-D65 IonicContact CZ-OD2 3.17Å; R62-D65 IonicContact NE-OD1 2.85Å; R62-D65 PolarHBondContact NE-OD1 3.4Å; R62-D65 IonicContact NE-OD2 3.18Å; R62-D65 IonicContact NH2-OD1 2.74Å; R62-D65 IonicContact NH2-OD2 2.74Å; R62-D65 PolarHBondContact NH2-OD2 2.86Å; D65-K67 PolarHBondContact O-N 3.05Å |
| 66 | N | 95.2 | Very high | 93.6 | Very high | 108 Ų | 108 | 52 Ų | 52 | 58% | 0.578 | 26% | 0.258 | S | S | * | . | trans | 59.1 | 17.2 | -176.6 | -66.5 | -65.9 | 0 | 0 | 0 | 115.5 | R61 R62 E68 | R61-N66 VanDerWaalsContact CD-OD1 3.31Å; R61-N66 WeakPolarHBondContact CD-OD1 3.24Å; R61-N66 HydrophobicContact CG-CB 4.31Å; R61-N66 WeakPolarHBondContact CG-O 3.31Å; R61-N66 PolarHBondContact NH1-O 3.31Å; R62-N66 WeakPolarHBondContact O-CA 3.05Å; R62-N66 PolarHBondContact O-N 3.13Å; N66-E68 PolarHBondContact O-N 3Å | ||
| 67 | K | 94.8 | Very high | 93.9 | Very high | 76 Ų | 76 | 51.3 Ų | 51.3 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | trans | -61.6 | 130.5 | 178 | -167.8 | -176.5 | -172.2 | -174.4 | 0 | 110.9 | R61 R62 D65 D124 | R61-K67 CarbonylContact C-O 3.6Å; R61-K67 WeakPolarHBondContact CA-O 3.47Å; R62-K67 HydrophobicContact CB-CB 4.28Å; R62-K67 PolarHBondContact N-O 3.04Å; D65-K67 PolarHBondContact O-N 3.05Å; K67-D124 WeakPolarHBondContact CE-OD1 3.24Å; K67-D124 IonicContact NZ-OD1 3.9Å; K67-D124 PolarHBondContact NZ-OD1 3.43Å; K67-D124 IonicContact NZ-OD2 2.64Å | ||
| 68 | E | 93.9 | Very high | 93.9 | Very high | 80 Ų | 80 | 54 Ų | 54 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 135.2 | 170.1 | -50.8 | -65.6 | -175.3 | 0 | 0 | 110.1 | R61 N66 Q125 | R61-E68 IonicContact CZ-OE1 3.69Å; R61-E68 IonicContact CZ-OE2 3.12Å; R61-E68 IonicContact NH1-OE1 3.2Å; R61-E68 PolarHBondContact NH1-OE1 2.99Å; R61-E68 IonicContact NH1-OE2 3.77Å; R61-E68 PolarHBondContact NH1-OE2 3.06Å; R61-E68 VanDerWaalsContact NH1-OE2 3.11Å; R61-E68 VanDerWaalsContact NH2-CD 3.25Å; R61-E68 IonicContact NH2-OE1 2.86Å; R61-E68 PolarHBondContact NH2-OE1 3.09Å; R61-E68 IonicContact NH2-OE2 2.7Å; R61-E68 PolarHBondContact NH2-OE2 2.88Å; N66-E68 PolarHBondContact O-N 3Å; E68-Q125 HydrophobicContact CB-CB 4.03Å; E68-Q125 HydrophobicContact CB-CG 4.35Å |
| 69 | V | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 159.2 | -179.9 | -57 | 0 | 0 | 0 | 0 | 110.5 | Y43 A60 V71 L110 V122 M123 | Y43-V69 HydrophobicContact CD1-CG2 3.65Å; Y43-V69 HydrophobicContact CE1-CG1 4.19Å; Y43-V69 HydrophobicContact CE1-CG2 3.8Å; A60-V69 HydrophobicContact CB-CG2 3.85Å; A60-V69 PolarHBondContact N-O 3.07Å; A60-V69 WeakPolarHBondContact O-CG2 3.31Å; A60-V69 PolarHBondContact O-N 3.36Å; A60-V69 VanDerWaalsContact O-O 3.1Å; V69-V71 HydrophobicContact CG2-CG2 4.48Å; V69-L110 HydrophobicContact CB-CD1 4.16Å; V69-L110 HydrophobicContact CG1-CD1 3.38Å; V69-V122 HydrophobicContact CB-CG1 3.98Å; V69-V122 HydrophobicContact CG2-CG1 3.74Å; V69-M123 WeakPolarHBondContact CA-O 3.24Å; V69-M123 WeakPolarHBondContact CB-O 3.42Å |
| 70 | V | 93.8 | Very high | 93.9 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 136.2 | 171.8 | 173.3 | 0 | 0 | 0 | 0 | 109.1 | V57 H58 V122 M123 Q125 | V57-V70 HydrophobicContact CG1-CG1 3.49Å; V57-V70 VanDerWaalsContact CG1-CG1 3.49Å; H58-V70 CarbonylContact O-C 3.54Å; H58-V70 WeakPolarHBondContact O-CA 3.17Å; V70-V122 WeakPolarHBondContact O-CA 3.41Å; V70-M123 PolarHBondContact N-O 3.44Å; V70-M123 PolarHBondContact O-N 3.41Å; V70-Q125 HydrophobicContact CG2-CB 4.02Å; V70-Q125 HydrophobicContact CG2-CG 4.21Å |
| 71 | V | 95 | Very high | 93.8 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 113.9 | 177.4 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | F39 V57 H58 A60 V69 A120 V122 | F39-V71 HydrophobicContact CE2-CG1 4.13Å; F39-V71 HydrophobicContact CE2-CG2 4.02Å; F39-V71 HydrophobicContact CZ-CG1 4.31Å; F39-V71 HydrophobicContact CZ-CG2 4.11Å; V57-V71 WeakPolarHBondContact CA-O 3.48Å; H58-V71 HydrophobicContact CB-CB 4.47Å; H58-V71 PolarHBondContact N-O 3.44Å; H58-V71 PolarHBondContact O-N 3.36Å; A60-V71 HydrophobicContact CB-CG2 3.58Å; V69-V71 HydrophobicContact CG2-CG2 4.48Å; V71-A120 HydrophobicContact CG1-CB 3.8Å; V71-V122 HydrophobicContact CG1-CG2 4.37Å; V71-V122 HydrophobicContact CG2-CG1 4.27Å; V71-V122 HydrophobicContact CG2-CG2 4.17Å |
| 72 | K | 94.4 | Very high | 93.8 | Very high | 15 Ų | 15 | 47.2 Ų | 47.2 | 7% | 0.065 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 105.5 | 170.1 | -172.9 | -166.8 | -167.6 | -170.6 | 0 | 108 | H56 V57 V74 E93 I121 M123 D190 | H56-K72 CarbonylContact O-C 3.39Å; H56-K72 WeakPolarHBondContact O-CA 3.42Å; V57-K72 HydrophobicContact CG2-CG 4.48Å; K72-V74 HydrophobicContact CD-CG2 3.93Å; K72-V74 HydrophobicContact CG-CG2 3.92Å; K72-E93 IonicContact NZ-OE1 3.69Å; K72-E93 PolarHBondContact NZ-OE1 3.11Å; K72-E93 IonicContact NZ-OE2 2.73Å; K72-E93 PolarHBondContact NZ-OE2 3.17Å; K72-I121 HydrophobicContact CB-CB 4.38Å; K72-I121 PolarHBondContact N-O 3.05Å; K72-I121 PolarHBondContact O-N 3.48Å; K72-M123 HydrophobicContact CB-CE 3.66Å; K72-M123 HydrophobicContact CD-CE 4.47Å; K72-D190 VanDerWaalsContact CE-OD2 3.24Å; K72-D190 WeakPolarHBondContact CE-OD2 3.39Å; K72-D190 IonicContact NZ-OD1 3.3Å; K72-D190 PolarHBondContact NZ-OD1 2.74Å; K72-D190 IonicContact NZ-OD2 3.5Å; K72-D190 PolarHBondContact NZ-OD2 2.85Å |
| 73 | E | 94.3 | Very high | 93.7 | Very high | 61 Ų | 61 | 44.3 Ų | 44.3 | 29% | 0.285 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 122.7 | 168.6 | -170.5 | -176 | -170.6 | 0 | 0 | 109.4 | G55 H56 S118 W119 | G55-E73 CarbonylContact C-O 3.55Å; G55-E73 VanDerWaalsContact CA-O 3.3Å; G55-E73 WeakPolarHBondContact CA-O 3.44Å; H56-E73 PolarHBondContact N-O 3Å; H56-E73 PolarHBondContact O-N 2.65Å; E73-S118 WeakPolarHBondContact OE1-CB 3.47Å; E73-S118 PolarHBondContact OE1-OG 3.4Å; E73-W119 CarbonylContact C-O 3.52Å; E73-W119 VanDerWaalsContact CA-O 3.3Å; E73-W119 WeakPolarHBondContact CA-O 3.29Å |
| 74 | V | 92.4 | Very high | 93.6 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 127.1 | 177.2 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | K72 V79 S118 W119 I121 | K72-V74 HydrophobicContact CD-CG2 3.93Å; K72-V74 HydrophobicContact CG-CG2 3.92Å; V74-V79 HydrophobicContact CG1-CG2 3.83Å; V74-S118 CarbonylContact O-C 3.6Å; V74-S118 VanDerWaalsContact O-CA 3.28Å; V74-S118 WeakPolarHBondContact O-CA 3.49Å; V74-S118 WeakPolarHBondContact O-CB 3.44Å; V74-W119 PolarHBondContact N-O 3.44Å; V74-W119 PolarHBondContact O-N 3.17Å; V74-I121 HydrophobicContact CG2-CD1 4.37Å |
| 75 | R | 92.2 | Very high | 93.4 | Very high | 125 Ų | 125 | 36.7 Ų | 36.7 | 47% | 0.472 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 136.7 | 177.1 | -70.3 | 175.7 | 53.3 | 100.7 | 8.4 | 111.2 | D77 K78 V79 | R75-D77 VanDerWaalsContact C-N 3.25Å; R75-D77 WeakPolarHBondContact CB-OD1 3.34Å; R75-D77 IonicContact CZ-OD1 2.69Å; R75-D77 VanDerWaalsContact CZ-OD1 3.23Å; R75-D77 IonicContact NE-OD1 3.34Å; R75-D77 PolarHBondContact NE-OD1 2.87Å; R75-D77 IonicContact NH2-OD1 3.43Å; R75-D77 PolarHBondContact NH2-OD1 3.2Å; R75-D77 IonicContact NH2-OD2 2.7Å; R75-D77 PolarHBondContact O-N 2.71Å; R75-K78 HydrophobicContact CB-CB 4.18Å; R75-K78 HydrophobicContact CB-CG 3.86Å; R75-K78 WeakPolarHBondContact O-CA 3.4Å; R75-K78 WeakPolarHBondContact O-CB 3.31Å; R75-K78 PolarHBondContact O-N 3.28Å; R75-V79 PolarHBondContact O-N 2.56Å |
| 76 | S | 92.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -56.8 | -36.9 | 179.3 | -65.9 | 0 | 0 | 0 | 0 | 112.7 | K78 W82 G116 Q117 | S76-K78 PolarHBondContact O-N 2.73Å; S76-W82 WeakPolarHBondContact O-CZ2 3.48Å; S76-G116 WeakPolarHBondContact CB-O 3.32Å; S76-G116 PolarHBondContact OG-O 3.38Å; S76-Q117 WeakPolarHBondContact CB-O 3.32Å; S76-Q117 PolarHBondContact N-O 2.81Å; S76-Q117 PolarHBondContact OG-O 2.8Å |
| 77 | D | 88.8 | Confident | 92.8 | Very high | 49 Ų | 49 | 38.1 Ų | 38.1 | 26% | 0.262 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -74.2 | -5.6 | 177.5 | 77.6 | -64.7 | 0 | 0 | 0 | 114.4 | P12 S15 R75 | P12-D77 WeakPolarHBondContact O-CA 3.5Å; S15-D77 PolarHBondContact OG-O 2.81Å; R75-D77 VanDerWaalsContact C-N 3.25Å; R75-D77 WeakPolarHBondContact CB-OD1 3.34Å; R75-D77 IonicContact CZ-OD1 2.69Å; R75-D77 VanDerWaalsContact CZ-OD1 3.23Å; R75-D77 IonicContact NE-OD1 3.34Å; R75-D77 PolarHBondContact NE-OD1 2.87Å; R75-D77 IonicContact NH2-OD1 3.43Å; R75-D77 PolarHBondContact NH2-OD1 3.2Å; R75-D77 IonicContact NH2-OD2 2.7Å; R75-D77 PolarHBondContact O-N 2.71Å |
| 78 | K | 89.6 | Confident | 92.6 | Very high | 95 Ų | 95 | 40.6 Ų | 40.6 | 41% | 0.413 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -111 | -7.1 | -179.6 | -58.4 | -63.1 | -175.9 | -107.4 | 0 | 114.1 | R75 S76 P80 | R75-K78 HydrophobicContact CB-CB 4.18Å; R75-K78 HydrophobicContact CB-CG 3.86Å; R75-K78 WeakPolarHBondContact O-CA 3.4Å; R75-K78 WeakPolarHBondContact O-CB 3.31Å; R75-K78 PolarHBondContact O-N 3.28Å; S76-K78 PolarHBondContact O-N 2.73Å; K78-P80 WeakPolarHBondContact O-CD 3.48Å |
| 79 | V | 91.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | trans | -64.7 | 114.8 | 177.2 | 173.3 | 0 | 0 | 0 | 0 | 109.9 | G16 V74 R75 C81 W82 P91 | G16-V79 VanDerWaalsContact CA-O 3.32Å; G16-V79 WeakPolarHBondContact CA-O 3.21Å; V74-V79 HydrophobicContact CG1-CG2 3.83Å; R75-V79 PolarHBondContact O-N 2.56Å; V79-C81 VanDerWaalsContact CG1-O 3.27Å; V79-C81 WeakPolarHBondContact CG1-O 3.39Å; V79-C81 PolarHBondContact O-N 3.4Å; V79-W82 HydrophobicContact CB-CD2 4.41Å; V79-W82 HydrophobicContact CB-CH2 4.34Å; V79-W82 HydrophobicContact CB-CZ2 3.57Å; V79-W82 HydrophobicContact CG1-CD2 3.85Å; V79-W82 HydrophobicContact CG1-CE3 4.43Å; V79-W82 HydrophobicContact CG1-CG 4.14Å; V79-W82 HydrophobicContact CG1-CH2 4.47Å; V79-W82 HydrophobicContact CG1-CZ2 3.89Å; V79-W82 HydrophobicContact CG2-CH2 3.98Å; V79-W82 HydrophobicContact CG2-CZ2 3.63Å; V79-P91 HydrophobicContact CG1-CB 3.91Å; V79-P91 HydrophobicContact CG1-CG 4.38Å; V79-P91 HydrophobicContact CG2-CB 4.27Å; V79-P91 HydrophobicContact CG2-CG 4.04Å | ||
| 80 | P | 90.1 | Very high | 92.6 | Very high | 25 Ų | 25 | 38.6 Ų | 38.6 | 16% | 0.162 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -73.8 | -28.4 | -173.6 | 29.1 | -35 | 0 | 0 | 0 | 112.7 | G16 R17 K78 G192 D206 | G16-P80 WeakPolarHBondContact CA-O 3.49Å; R17-P80 PolarHBondContact N-O 2.79Å; K78-P80 WeakPolarHBondContact O-CD 3.48Å; P80-G192 VanDerWaalsContact CG-O 3.28Å; P80-G192 WeakPolarHBondContact CG-O 3.4Å; P80-D206 HydrophobicContact CB-CB 4.01Å; P80-D206 HydrophobicContact CG-CB 4.43Å |
| 81 | C | 93.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 132.8 | 175.3 | -171.8 | 0 | 0 | 0 | 0 | 112.2 | R17 V79 I92 | R17-C81 HydrophobicContact CB-CB 4.5Å; R17-C81 CarbonylContact O-C 3.57Å; R17-C81 VanDerWaalsContact O-CA 3.26Å; R17-C81 WeakPolarHBondContact O-CA 3.49Å; R17-C81 PolarHBondContact O-SG 3.25Å; V79-C81 VanDerWaalsContact CG1-O 3.27Å; V79-C81 WeakPolarHBondContact CG1-O 3.39Å; V79-C81 PolarHBondContact O-N 3.4Å; C81-I92 HydrophobicContact CB-CB 4.22Å; C81-I92 HydrophobicContact CB-CD1 4.46Å; C81-I92 HydrophobicContact CB-CG2 3.9Å; C81-I92 WeakPolarHBondContact O-CB 3.43Å; C81-I92 PolarHBondContact O-N 2.8Å |
| 82 | W | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 135.1 | 176 | -68.1 | 93 | 0 | 0 | 0 | 110.4 | Y13 R17 L18 V19 S76 V79 L89 M90 P91 W119 | Y13-W82 AromaticContact CD1-CE2 3.93Å; Y13-W82 AromaticContact CD1-CH2 3.49Å; Y13-W82 HydrophobicContact CD1-CH2 3.49Å; Y13-W82 VanDerWaalsContact CD1-CH2 3.49Å; Y13-W82 AromaticContact CD1-CZ2 3.34Å; Y13-W82 HydrophobicContact CD1-CZ2 3.34Å; Y13-W82 HydrophobicContact CD1-CZ3 4.18Å; Y13-W82 AromaticContact CE1-CH2 3.76Å; Y13-W82 HydrophobicContact CE1-CH2 3.76Å; Y13-W82 HydrophobicContact CE1-CZ2 4.08Å; Y13-W82 HydrophobicContact CE1-CZ3 4.37Å; Y13-W82 HydrophobicContact CG-CH2 4.38Å; Y13-W82 HydrophobicContact CG-CZ2 4.08Å; Y13-W82 PolarHBondContact O-NE1 3.08Å; R17-W82 PolarHBondContact O-N 3.14Å; L18-W82 HydrophobicContact CD1-CB 4.24Å; V19-W82 WeakPolarHBondContact CG2-O 3.18Å; V19-W82 PolarHBondContact N-O 2.84Å; S76-W82 WeakPolarHBondContact O-CZ2 3.48Å; V79-W82 HydrophobicContact CB-CD2 4.41Å; V79-W82 HydrophobicContact CB-CH2 4.34Å; V79-W82 HydrophobicContact CB-CZ2 3.57Å; V79-W82 HydrophobicContact CG1-CD2 3.85Å; V79-W82 HydrophobicContact CG1-CE3 4.43Å; V79-W82 HydrophobicContact CG1-CG 4.14Å; V79-W82 HydrophobicContact CG1-CH2 4.47Å; V79-W82 HydrophobicContact CG1-CZ2 3.89Å; V79-W82 HydrophobicContact CG2-CH2 3.98Å; V79-W82 HydrophobicContact CG2-CZ2 3.63Å; W82-L89 HydrophobicContact CB-CD1 3.89Å; W82-L89 HydrophobicContact CB-CG 4.39Å; W82-L89 HydrophobicContact CD2-CD2 4.5Å; W82-L89 HydrophobicContact CD2-CG 4.35Å; W82-L89 HydrophobicContact CE3-CD2 4.28Å; W82-L89 HydrophobicContact CE3-CG 3.85Å; W82-M90 CarbonylContact C-O 3.56Å; W82-M90 WeakPolarHBondContact CA-O 3.34Å; W82-P91 HydrophobicContact CH2-CG 4.41Å; W82-P91 HydrophobicContact CZ3-CG 4.12Å; W82-W119 AromaticContact CH2-NE1 3.56Å; W82-W119 AromaticContact CZ3-CE2 3.96Å; W82-W119 HydrophobicContact CZ3-CZ2 4.07Å; W82-W119 AromaticContact CZ3-NE1 3.77Å |
| 83 | C | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 128.7 | 165.1 | -166.8 | 0 | 0 | 0 | 0 | 109.7 | V19 M90 V95 | V19-C83 HydrophobicContact CG2-CB 4.03Å; C83-M90 PolarHBondContact N-O 3.48Å; C83-M90 PolarHBondContact O-N 2.8Å; C83-V95 HydrophobicContact CB-CG2 3.79Å |
| 84 | L | 94.8 | Very high | 92.9 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 110.6 | 160.1 | -168.7 | 81.8 | 0 | 0 | 0 | 108.5 | A2 L18 V19 R20 R21 N87 Q88 L89 | A2-L84 HydrophobicContact CB-CD1 3.66Å; A2-L84 HydrophobicContact CB-CD2 3.98Å; L18-L84 HydrophobicContact CD1-CB 4.14Å; V19-L84 PolarHBondContact O-N 3.46Å; R20-L84 HydrophobicContact CG-CB 4.34Å; R21-L84 PolarHBondContact N-O 3.16Å; L84-N87 WeakPolarHBondContact CD1-O 3.42Å; L84-Q88 CarbonylContact C-O 3.57Å; L84-Q88 WeakPolarHBondContact CA-O 3.44Å; L84-L89 HydrophobicContact CB-CD1 4.16Å; L84-L89 HydrophobicContact CD1-CB 3.99Å; L84-L89 HydrophobicContact CD1-CD1 3.94Å |
| 85 | L | 93.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 115.8 | 179.2 | -168.6 | 72.3 | 0 | 0 | 0 | 108 | R21 S22 L26 V30 N87 Q88 M90 | R21-L85 HydrophobicContact CB-CD1 3.86Å; S22-L85 VanDerWaalsContact C-CD1 3.43Å; L26-L85 HydrophobicContact CD1-CD1 3.91Å; V30-L85 HydrophobicContact CB-CD2 4.07Å; V30-L85 HydrophobicContact CG2-CD2 3.56Å; L85-N87 PolarHBondContact O-N 3.46Å; L85-Q88 PolarHBondContact N-O 3Å; L85-Q88 WeakPolarHBondContact O-CA 3.44Å; L85-Q88 WeakPolarHBondContact O-CB 3.36Å; L85-Q88 PolarHBondContact O-N 3.26Å; L85-M90 HydrophobicContact CB-CE 4.26Å; L85-M90 HydrophobicContact CD2-CE 4.45Å; L85-M90 HydrophobicContact CD2-SD 4.43Å |
| 86 | D | 91.4 | Very high | 93.4 | Very high | 81 Ų | 81 | 27.8 Ų | 27.8 | 43% | 0.433 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 34.2 | 179.9 | -59.1 | -12.4 | 0 | 0 | 0 | 115.4 | S22 S23 Q88 | S22-D86 WeakPolarHBondContact CA-OD1 3.23Å; S22-D86 VanDerWaalsContact CB-OD1 3.25Å; S22-D86 WeakPolarHBondContact CB-OD1 3.33Å; S23-D86 WeakPolarHBondContact CB-OD2 3.36Å; S23-D86 PolarHBondContact N-OD1 2.89Å; S23-D86 PolarHBondContact N-OD2 3.29Å; S23-D86 PolarHBondContact OG-OD2 3.02Å; D86-Q88 VanDerWaalsContact C-N 3.31Å |
| 87 | N | 87.1 | Confident | 93.7 | Very high | 136 Ų | 136 | 27.9 Ų | 27.9 | 73% | 0.727 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -4.6 | -173.7 | -47.9 | -82 | 0 | 0 | 0 | 116.5 | L84 L85 | L84-N87 WeakPolarHBondContact CD1-O 3.42Å; L85-N87 PolarHBondContact O-N 3.46Å |
| 88 | Q | 91.1 | Very high | 94.1 | Very high | 127 Ų | 127 | 26.9 Ų | 26.9 | 59% | 0.593 | 14% | 0.137 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 137.7 | 165.6 | -57.9 | -60 | -5.4 | 0 | 0 | 110.3 | L84 L85 D86 M90 | L84-Q88 CarbonylContact C-O 3.57Å; L84-Q88 WeakPolarHBondContact CA-O 3.44Å; L85-Q88 PolarHBondContact N-O 3Å; L85-Q88 WeakPolarHBondContact O-CA 3.44Å; L85-Q88 WeakPolarHBondContact O-CB 3.36Å; L85-Q88 PolarHBondContact O-N 3.26Å; D86-Q88 VanDerWaalsContact C-N 3.31Å; Q88-M90 HydrophobicContact CB-CE 3.87Å |
| 89 | L | 93 | Very high | 94.5 | Very high | 31 Ų | 31 | 23.2 Ų | 23.2 | 16% | 0.162 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.2 | -178.5 | -171.5 | 74 | 0 | 0 | 0 | 109.3 | L6 Y13 L18 W82 L84 W119 | L6-L89 HydrophobicContact CD1-CD1 4.36Å; L6-L89 HydrophobicContact CD1-CD2 4.48Å; Y13-L89 HydrophobicContact CD2-CD2 3.53Å; Y13-L89 HydrophobicContact CE2-CD2 4.07Å; Y13-L89 HydrophobicContact CG-CD2 3.97Å; L18-L89 HydrophobicContact CD1-CD1 3.66Å; W82-L89 HydrophobicContact CB-CD1 3.89Å; W82-L89 HydrophobicContact CB-CG 4.39Å; W82-L89 HydrophobicContact CD2-CD2 4.5Å; W82-L89 HydrophobicContact CD2-CG 4.35Å; W82-L89 HydrophobicContact CE3-CD2 4.28Å; W82-L89 HydrophobicContact CE3-CG 3.85Å; L84-L89 HydrophobicContact CB-CD1 4.16Å; L84-L89 HydrophobicContact CD1-CB 3.99Å; L84-L89 HydrophobicContact CD1-CD1 3.94Å; L89-W119 WeakPolarHBondContact O-CZ2 3.46Å |
| 90 | M | 94.8 | Very high | 94.7 | Very high | 7 Ų | 7 | 23 Ų | 23 | 3% | 0.034 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 158.4 | -174.6 | 61.2 | -169.8 | 70.4 | 0 | 0 | 111.8 | V30 V32 W82 C83 L85 Q88 V94 V95 W119 | V30-M90 HydrophobicContact CB-SD 4.5Å; V30-M90 HydrophobicContact CG1-CE 4.24Å; V30-M90 HydrophobicContact CG1-SD 3.77Å; V32-M90 HydrophobicContact CG2-CE 4.17Å; W82-M90 CarbonylContact C-O 3.56Å; W82-M90 WeakPolarHBondContact CA-O 3.34Å; C83-M90 PolarHBondContact N-O 3.48Å; C83-M90 PolarHBondContact O-N 2.8Å; L85-M90 HydrophobicContact CB-CE 4.26Å; L85-M90 HydrophobicContact CD2-CE 4.45Å; L85-M90 HydrophobicContact CD2-SD 4.43Å; Q88-M90 HydrophobicContact CB-CE 3.87Å; M90-V94 HydrophobicContact SD-CG1 4.42Å; M90-V95 HydrophobicContact CG-CG2 3.81Å; M90-V95 HydrophobicContact SD-CG2 3.55Å; M90-V95 VanDerWaalsContact SD-CG2 3.55Å; M90-W119 HydrophobicContact CB-CH2 3.47Å; M90-W119 VanDerWaalsContact CB-CH2 3.47Å; M90-W119 HydrophobicContact CB-CZ2 4.27Å; M90-W119 HydrophobicContact CB-CZ3 3.76Å |
| 91 | P | 95.6 | Very high | 95 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.019 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 141.7 | 173.7 | -22.3 | 33.4 | 0 | 0 | 0 | 110.7 | V79 W82 E93 V94 W119 | V79-P91 HydrophobicContact CG1-CB 3.91Å; V79-P91 HydrophobicContact CG1-CG 4.38Å; V79-P91 HydrophobicContact CG2-CB 4.27Å; V79-P91 HydrophobicContact CG2-CG 4.04Å; W82-P91 HydrophobicContact CH2-CG 4.41Å; W82-P91 HydrophobicContact CZ3-CG 4.12Å; P91-E93 PolarHBondContact O-N 2.81Å; P91-V94 HydrophobicContact CB-CG2 4.42Å; P91-V94 HydrophobicContact CG-CG2 4.45Å; P91-V94 PolarHBondContact O-N 3.25Å; P91-W119 VanDerWaalsContact CD-CD2 3.45Å; P91-W119 VanDerWaalsContact CD-CE3 3.41Å; P91-W119 HydrophobicContact CG-CB 4.29Å; P91-W119 HydrophobicContact CG-CD2 3.73Å; P91-W119 HydrophobicContact CG-CE3 3.97Å; P91-W119 HydrophobicContact CG-CG 3.85Å |
| 92 | I | 95.7 | Very high | 95 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.7 | -33.3 | 179.5 | -160.6 | 172.4 | 0 | 0 | 0 | 111.6 | V19 C81 V94 V95 L96 F196 | V19-I92 HydrophobicContact CG2-CD1 3.94Å; V19-I92 HydrophobicContact CG2-CG1 4.43Å; C81-I92 HydrophobicContact CB-CB 4.22Å; C81-I92 HydrophobicContact CB-CD1 4.46Å; C81-I92 HydrophobicContact CB-CG2 3.9Å; C81-I92 WeakPolarHBondContact O-CB 3.43Å; C81-I92 PolarHBondContact O-N 2.8Å; I92-V94 VanDerWaalsContact C-N 3.29Å; I92-V94 PolarHBondContact O-N 3.25Å; I92-V95 PolarHBondContact O-N 2.88Å; I92-L96 HydrophobicContact CD1-CD1 4.33Å; I92-L96 HydrophobicContact CG1-CD1 3.98Å; I92-L96 HydrophobicContact CG1-CD2 4.46Å; I92-L96 HydrophobicContact CG1-CG 4.03Å; I92-L96 HydrophobicContact CG2-CD1 4.37Å; I92-L96 WeakPolarHBondContact O-CG 3.26Å; I92-L96 PolarHBondContact O-N 3.42Å; I92-F196 HydrophobicContact CD1-CD2 4.34Å; I92-F196 HydrophobicContact CD1-CE2 4.21Å; I92-F196 HydrophobicContact CG1-CE2 4.5Å |
| 93 | E | 96.8 | Very high | 95 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -51.6 | -43.6 | 176.8 | -173.6 | 164.2 | -161.9 | 0 | 0 | 113 | K72 P91 V95 L96 L97 I121 F191 G192 | K72-E93 IonicContact NZ-OE1 3.69Å; K72-E93 PolarHBondContact NZ-OE1 3.11Å; K72-E93 IonicContact NZ-OE2 2.73Å; K72-E93 PolarHBondContact NZ-OE2 3.17Å; P91-E93 PolarHBondContact O-N 2.81Å; E93-V95 VanDerWaalsContact C-N 3.34Å; E93-V95 PolarHBondContact O-N 3.14Å; E93-L96 PolarHBondContact O-N 3.39Å; E93-L97 HydrophobicContact CG-CD1 3.91Å; E93-L97 HydrophobicContact CG-CG 4.37Å; E93-L97 WeakPolarHBondContact O-CB 3.4Å; E93-L97 VanDerWaalsContact O-CG 3.29Å; E93-L97 WeakPolarHBondContact O-CG 3.46Å; E93-L97 PolarHBondContact O-N 3.01Å; E93-I121 HydrophobicContact CB-CD1 4.09Å; E93-I121 HydrophobicContact CG-CD1 3.87Å; E93-F191 HydrophobicContact CG-CB 4.05Å; E93-F191 PolarHBondContact OE1-N 3.36Å; E93-G192 VanDerWaalsContact CD-N 3.35Å; E93-G192 PolarHBondContact OE1-N 3.08Å; E93-G192 WeakPolarHBondContact OE2-CA 3.27Å |
| 94 | V | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 178.5 | 179 | 0 | 0 | 0 | 0 | 110.5 | V30 M90 P91 I92 V98 L109 A112 W119 I121 | V30-V94 HydrophobicContact CG1-CG1 4.04Å; M90-V94 HydrophobicContact SD-CG1 4.42Å; P91-V94 HydrophobicContact CB-CG2 4.42Å; P91-V94 HydrophobicContact CG-CG2 4.45Å; P91-V94 PolarHBondContact O-N 3.25Å; I92-V94 VanDerWaalsContact C-N 3.29Å; I92-V94 PolarHBondContact O-N 3.25Å; V94-V98 VanDerWaalsContact O-CG2 3.27Å; V94-V98 WeakPolarHBondContact O-CG2 3.25Å; V94-V98 PolarHBondContact O-N 3.16Å; V94-V98 VanDerWaalsContact O-N 3.11Å; V94-L109 HydrophobicContact CG1-CD2 4.25Å; V94-A112 HydrophobicContact CG1-CB 3.79Å; V94-A112 HydrophobicContact CG2-CB 4.18Å; V94-W119 HydrophobicContact CG2-CE3 4.49Å; V94-I121 HydrophobicContact CG2-CD1 4.01Å; V94-I121 HydrophobicContact CG2-CG1 4.08Å |
| 95 | V | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.1 | -42 | -180 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | L26 C83 M90 I92 E93 V98 M99 F196 | L26-V95 HydrophobicContact CD1-CG1 3.79Å; C83-V95 HydrophobicContact CB-CG2 3.79Å; M90-V95 HydrophobicContact CG-CG2 3.81Å; M90-V95 HydrophobicContact SD-CG2 3.55Å; M90-V95 VanDerWaalsContact SD-CG2 3.55Å; I92-V95 PolarHBondContact O-N 2.88Å; E93-V95 VanDerWaalsContact C-N 3.34Å; E93-V95 PolarHBondContact O-N 3.14Å; V95-V98 PolarHBondContact O-N 3.33Å; V95-M99 HydrophobicContact CG1-SD 4.31Å; V95-M99 VanDerWaalsContact O-CG 3.31Å; V95-M99 WeakPolarHBondContact O-CG 3.46Å; V95-M99 PolarHBondContact O-N 3.48Å; V95-F196 HydrophobicContact CG1-CE1 4.38Å; V95-F196 HydrophobicContact CG1-CZ 4.1Å |
| 96 | L | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.7 | -36.3 | -179.9 | -59.4 | 175.5 | 0 | 0 | 0 | 112.2 | I92 E93 M99 C100 V167 F191 G194 F196 | I92-L96 HydrophobicContact CD1-CD1 4.33Å; I92-L96 HydrophobicContact CG1-CD1 3.98Å; I92-L96 HydrophobicContact CG1-CD2 4.46Å; I92-L96 HydrophobicContact CG1-CG 4.03Å; I92-L96 HydrophobicContact CG2-CD1 4.37Å; I92-L96 WeakPolarHBondContact O-CG 3.26Å; I92-L96 PolarHBondContact O-N 3.42Å; E93-L96 PolarHBondContact O-N 3.39Å; L96-M99 HydrophobicContact CD2-SD 4.08Å; L96-M99 WeakPolarHBondContact O-CB 3.5Å; L96-M99 PolarHBondContact O-N 3.37Å; L96-C100 WeakPolarHBondContact O-CB 3.42Å; L96-C100 PolarHBondContact O-N 2.9Å; L96-C100 PolarHBondContact O-SG 2.87Å; L96-C100 VanDerWaalsContact O-SG 3.39Å; L96-V167 HydrophobicContact CB-CG1 4.17Å; L96-V167 HydrophobicContact CD2-CG1 4.08Å; L96-V167 HydrophobicContact CD2-CG2 3.93Å; L96-V167 HydrophobicContact CG-CG1 4.46Å; L96-F191 HydrophobicContact CB-CB 4.33Å; L96-F191 HydrophobicContact CB-CD1 4.02Å; L96-G194 VanDerWaalsContact CD1-C 3.46Å; L96-F196 HydrophobicContact CD2-CD1 4.37Å; L96-F196 HydrophobicContact CD2-CE1 4.43Å |
| 97 | L | 97.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.7 | -40.5 | 173.1 | -72 | 171.9 | 0 | 0 | 0 | 111.6 | E93 M99 C100 Q101 V107 L109 I121 M123 F191 | E93-L97 HydrophobicContact CG-CD1 3.91Å; E93-L97 HydrophobicContact CG-CG 4.37Å; E93-L97 WeakPolarHBondContact O-CB 3.4Å; E93-L97 VanDerWaalsContact O-CG 3.29Å; E93-L97 WeakPolarHBondContact O-CG 3.46Å; E93-L97 PolarHBondContact O-N 3.01Å; L97-M99 VanDerWaalsContact C-N 3.34Å; L97-M99 PolarHBondContact O-N 3.11Å; L97-C100 CarbonylContact O-C 3.6Å; L97-C100 PolarHBondContact O-N 2.92Å; L97-C100 VanDerWaalsContact O-N 3.16Å; L97-Q101 PolarHBondContact O-N 3.01Å; L97-V107 HydrophobicContact CD2-CG1 4.09Å; L97-L109 HydrophobicContact CB-CB 4.14Å; L97-L109 HydrophobicContact CD1-CD1 4.23Å; L97-I121 HydrophobicContact CD1-CG2 3.89Å; L97-M123 HydrophobicContact CD1-SD 4.24Å; L97-F191 HydrophobicContact CD2-CB 4.38Å; L97-F191 HydrophobicContact CD2-CD2 3.6Å; L97-F191 HydrophobicContact CD2-CE2 4.11Å; L97-F191 HydrophobicContact CD2-CG 4.12Å; L97-F191 HydrophobicContact CG-CB 4.36Å; L97-F191 HydrophobicContact CG-CD2 4.45Å |
| 98 | V | 97.1 | Very high | 95.8 | Very high | 28 Ų | 28 | 21.9 Ų | 21.9 | 17% | 0.17 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.5 | -37.5 | 173.6 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | L28 V30 V94 V95 C100 Q101 L109 | L28-V98 HydrophobicContact CB-CG1 4.26Å; L28-V98 HydrophobicContact CD1-CG1 4.11Å; L28-V98 HydrophobicContact CD2-CG1 4.29Å; L28-V98 HydrophobicContact CG-CG1 4.44Å; V30-V98 HydrophobicContact CG1-CG2 4.32Å; V30-V98 HydrophobicContact CG2-CB 4.32Å; V30-V98 HydrophobicContact CG2-CG1 4.11Å; V30-V98 HydrophobicContact CG2-CG2 4.22Å; V94-V98 VanDerWaalsContact O-CG2 3.27Å; V94-V98 WeakPolarHBondContact O-CG2 3.25Å; V94-V98 PolarHBondContact O-N 3.16Å; V94-V98 VanDerWaalsContact O-N 3.11Å; V95-V98 PolarHBondContact O-N 3.33Å; V98-C100 VanDerWaalsContact C-N 3.28Å; V98-C100 PolarHBondContact O-N 2.97Å; V98-Q101 VanDerWaalsContact O-CB 3.32Å; V98-Q101 WeakPolarHBondContact O-CB 3.35Å; V98-Q101 PolarHBondContact O-N 3.18Å; V98-L109 HydrophobicContact CG2-CD2 3.6Å |
| 99 | M | 97.4 | Very high | 96.1 | Very high | 18 Ų | 18 | 16.5 Ų | 16.5 | 9% | 0.089 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.2 | -33.3 | 172.8 | -72 | 172.6 | 74.9 | 0 | 0 | 113 | L26 L28 V95 L96 L97 V165 V167 F196 | L26-M99 HydrophobicContact CD1-SD 4.44Å; L26-M99 HydrophobicContact CD2-CE 4.27Å; L26-M99 HydrophobicContact CD2-SD 4.4Å; L28-M99 HydrophobicContact CD1-CG 3.49Å; L28-M99 VanDerWaalsContact CD1-CG 3.49Å; V95-M99 HydrophobicContact CG1-SD 4.31Å; V95-M99 VanDerWaalsContact O-CG 3.31Å; V95-M99 WeakPolarHBondContact O-CG 3.46Å; V95-M99 PolarHBondContact O-N 3.48Å; L96-M99 HydrophobicContact CD2-SD 4.08Å; L96-M99 WeakPolarHBondContact O-CB 3.5Å; L96-M99 PolarHBondContact O-N 3.37Å; L97-M99 VanDerWaalsContact C-N 3.34Å; L97-M99 PolarHBondContact O-N 3.11Å; M99-V165 WeakPolarHBondContact CE-O 3.31Å; M99-V167 HydrophobicContact CB-CG2 3.67Å; M99-V167 HydrophobicContact CE-CG2 3.72Å; M99-V167 HydrophobicContact CG-CG2 4.4Å; M99-V167 HydrophobicContact SD-CG2 3.94Å; M99-F196 HydrophobicContact CE-CD1 3.97Å; M99-F196 HydrophobicContact CE-CE1 4.09Å; M99-F196 HydrophobicContact SD-CD1 3.87Å; M99-F196 HydrophobicContact SD-CE1 3.48Å; M99-F196 WeakPolarHBondContact SD-CE1 3.22Å |
| 100 | C | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 4 | 178.6 | -67.6 | 0 | 0 | 0 | 0 | 114.1 | L96 L97 V98 G102 L103 I106 | L96-C100 WeakPolarHBondContact O-CB 3.42Å; L96-C100 PolarHBondContact O-N 2.9Å; L96-C100 PolarHBondContact O-SG 2.87Å; L96-C100 VanDerWaalsContact O-SG 3.39Å; L97-C100 CarbonylContact O-C 3.6Å; L97-C100 PolarHBondContact O-N 2.92Å; L97-C100 VanDerWaalsContact O-N 3.16Å; V98-C100 VanDerWaalsContact C-N 3.28Å; V98-C100 PolarHBondContact O-N 2.97Å; C100-G102 PolarHBondContact O-N 2.95Å; C100-L103 HydrophobicContact CB-CD1 4.06Å; C100-L103 VanDerWaalsContact O-CB 3.31Å; C100-L103 WeakPolarHBondContact O-CB 3.3Å; C100-L103 WeakPolarHBondContact O-CG 3.32Å; C100-L103 PolarHBondContact O-N 3.44Å; C100-I106 HydrophobicContact CB-CB 4.44Å; C100-I106 HydrophobicContact CB-CG1 4.27Å; C100-I106 HydrophobicContact CB-CG2 3.84Å |
| 101 | Q | 95.1 | Very high | 96.3 | Very high | 82 Ų | 82 | 17.9 Ų | 17.9 | 38% | 0.383 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 124.3 | -170.2 | -172 | 70.6 | -3.9 | 0 | 0 | 112 | L97 V98 L103 L109 | L97-Q101 PolarHBondContact O-N 3.01Å; V98-Q101 VanDerWaalsContact O-CB 3.32Å; V98-Q101 WeakPolarHBondContact O-CB 3.35Å; V98-Q101 PolarHBondContact O-N 3.18Å; Q101-L103 VanDerWaalsContact C-N 3.29Å; Q101-L103 PolarHBondContact O-N 3.04Å; Q101-L109 PolarHBondContact NE2-O 2.82Å; Q101-L109 PolarHBondContact OE1-O 3.37Å |
| 102 | G | 93.5 | Very high | 96.4 | Very high | 36 Ų | 36 | 17.8 Ų | 17.8 | 37% | 0.371 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 3.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | C100 I339 | C100-G102 PolarHBondContact O-N 2.95Å; G102-I339 WeakPolarHBondContact O-CD1 3.43Å |
| 103 | L | 96.2 | Very high | 96.5 | Very high | 10 Ų | 10 | 17.6 Ų | 17.6 | 5% | 0.052 | 11% | 0.106 | C | C | . | . | trans | -68.3 | 137.1 | 168.7 | -63.6 | -177.3 | 0 | 0 | 0 | 110.3 | C100 Q101 G105 I106 V165 L335 | C100-L103 HydrophobicContact CB-CD1 4.06Å; C100-L103 VanDerWaalsContact O-CB 3.31Å; C100-L103 WeakPolarHBondContact O-CB 3.3Å; C100-L103 WeakPolarHBondContact O-CG 3.32Å; C100-L103 PolarHBondContact O-N 3.44Å; Q101-L103 VanDerWaalsContact C-N 3.29Å; Q101-L103 PolarHBondContact O-N 3.04Å; L103-G105 PolarHBondContact O-N 3.27Å; L103-I106 HydrophobicContact CB-CG1 4Å; L103-I106 PolarHBondContact O-N 3.18Å; L103-V165 HydrophobicContact CD1-CG1 4.01Å; L103-V165 HydrophobicContact CD1-CG2 3.79Å; L103-V165 HydrophobicContact CD2-CG1 4.34Å; L103-L335 HydrophobicContact CD2-CD1 4.09Å | ||
| 104 | P | 95.6 | Very high | 96.5 | Very high | 21 Ų | 21 | 18 Ų | 18 | 14% | 0.136 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 133.5 | -177.9 | 27.4 | -34.3 | 0 | 0 | 0 | 111.1 | I106 L308 I312 | P104-I106 VanDerWaalsContact C-N 3.34Å; P104-L308 HydrophobicContact CB-CB 4.04Å; P104-L308 HydrophobicContact CB-CD2 4Å; P104-L308 HydrophobicContact CB-CG 4.02Å; P104-L308 HydrophobicContact CG-CB 4.5Å; P104-L308 HydrophobicContact CG-CD2 4.13Å; P104-L308 HydrophobicContact CG-CG 4.02Å; P104-I312 HydrophobicContact CG-CD1 3.48Å; P104-I312 VanDerWaalsContact CG-CD1 3.48Å |
| 105 | G | 96.6 | Very high | 96.4 | Very high | 18 Ų | 18 | 20.1 Ų | 20.1 | 19% | 0.186 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 17.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L103 L186 V187 L188 | L103-G105 PolarHBondContact O-N 3.27Å; G105-L186 WeakPolarHBondContact CA-O 3.32Å; G105-V187 CarbonylContact O-C 3.5Å; G105-V187 WeakPolarHBondContact O-CA 3.38Å; G105-L188 PolarHBondContact O-N 3.31Å |
| 106 | I | 97 | Very high | 96.1 | Very high | 9 Ų | 9 | 21.4 Ų | 21.4 | 5% | 0.046 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -107.1 | 147.1 | 163.2 | -55.6 | -54.6 | 0 | 0 | 0 | 109.4 | C100 L103 P104 N108 I158 L188 F191 | C100-I106 HydrophobicContact CB-CB 4.44Å; C100-I106 HydrophobicContact CB-CG1 4.27Å; C100-I106 HydrophobicContact CB-CG2 3.84Å; L103-I106 HydrophobicContact CB-CG1 4Å; L103-I106 PolarHBondContact O-N 3.18Å; P104-I106 VanDerWaalsContact C-N 3.34Å; I106-N108 PolarHBondContact O-N 2.92Å; I106-I158 HydrophobicContact CD1-CG2 3.38Å; I106-I158 HydrophobicContact CG1-CG2 4.36Å; I106-L188 HydrophobicContact CD1-CB 3.88Å; I106-L188 HydrophobicContact CD1-CD2 3.94Å; I106-L188 HydrophobicContact CD1-CG 4.39Å; I106-F191 HydrophobicContact CD1-CE2 4.28Å; I106-F191 HydrophobicContact CD1-CZ 3.85Å; I106-F191 HydrophobicContact CG2-CE2 3.81Å; I106-F191 HydrophobicContact CG2-CZ 3.99Å |
| 107 | V | 95 | Very high | 95.9 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 6% | 0.055 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 125.7 | 170 | 62.1 | 0 | 0 | 0 | 0 | 111 | L97 M123 V187 L188 I189 | L97-V107 HydrophobicContact CD2-CG1 4.09Å; V107-M123 HydrophobicContact CG1-SD 3.89Å; V107-M123 HydrophobicContact CG2-CB 3.76Å; V107-M123 HydrophobicContact CG2-CG 4.11Å; V107-M123 HydrophobicContact CG2-SD 4.04Å; V107-V187 HydrophobicContact CB-CG1 4Å; V107-L188 PolarHBondContact N-O 2.81Å; V107-I189 HydrophobicContact CB-CG2 4.02Å; V107-I189 HydrophobicContact CG1-CB 4.4Å; V107-I189 HydrophobicContact CG1-CG2 3.94Å |
| 108 | N | 94.2 | Very high | 95.7 | Very high | 48 Ų | 48 | 29.4 Ų | 29.4 | 26% | 0.257 | 17% | 0.169 | S | C | . | . | P | Polyproline II helix | trans | -70.9 | 135.3 | 176.9 | -60.6 | -52.9 | 0 | 0 | 0 | 110.8 | I106 M123 D124 | I106-N108 PolarHBondContact O-N 2.92Å; N108-M123 VanDerWaalsContact O-CA 3.29Å; N108-M123 WeakPolarHBondContact O-CA 3.27Å; N108-D124 HydrophobicContact CB-CB 4.4Å; N108-D124 PolarHBondContact ND2-OD2 2.92Å; N108-D124 PolarHBondContact O-N 2.98Å; N108-D124 VanDerWaalsContact O-N 3.12Å |
| 109 | L | 96.5 | Very high | 95.6 | Very high | 14 Ų | 14 | 28.3 Ų | 28.3 | 7% | 0.073 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 145.5 | 160.4 | -171.8 | 70.1 | 0 | 0 | 0 | 109.1 | V94 L97 V98 Q101 I121 V122 | V94-L109 HydrophobicContact CG1-CD2 4.25Å; L97-L109 HydrophobicContact CB-CB 4.14Å; L97-L109 HydrophobicContact CD1-CD1 4.23Å; V98-L109 HydrophobicContact CG2-CD2 3.6Å; Q101-L109 PolarHBondContact NE2-O 2.82Å; Q101-L109 PolarHBondContact OE1-O 3.37Å; L109-I121 HydrophobicContact CD1-CG2 3.48Å; L109-I121 VanDerWaalsContact CD1-CG2 3.48Å; L109-V122 WeakPolarHBondContact CD1-O 3.36Å |
| 110 | L | 96 | Very high | 95.5 | Very high | 44 Ų | 44 | 27.5 Ų | 27.5 | 23% | 0.23 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | -53.9 | 174.8 | -65.4 | 178.3 | 0 | 0 | 0 | 111.8 | V69 V122 D124 | V69-L110 HydrophobicContact CB-CD1 4.16Å; V69-L110 HydrophobicContact CG1-CD1 3.38Å; L110-V122 HydrophobicContact CB-CG1 4.43Å; L110-V122 PolarHBondContact N-O 2.99Å; L110-D124 WeakPolarHBondContact CD2-OD1 3.49Å |
| 111 | D | 97.2 | Very high | 95.5 | Very high | 22 Ų | 22 | 27.5 Ų | 27.5 | 12% | 0.118 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 154.2 | 176.1 | -78.5 | -41.9 | 0 | 0 | 0 | 108.3 | Y33 R42 Y43 F113 V122 | Y33-D111 HydrophobicContact CD2-CB 4.41Å; Y33-D111 HydrophobicContact CE2-CB 4.43Å; Y33-D111 VanDerWaalsContact CE2-OD1 3.22Å; Y33-D111 WeakPolarHBondContact CE2-OD1 3.34Å; R42-D111 IonicContact NH1-OD1 3.1Å; R42-D111 PolarHBondContact NH1-OD1 3.44Å; R42-D111 IonicContact NH1-OD2 3.71Å; R42-D111 PolarHBondContact NH1-OD2 2.66Å; Y43-D111 HydrophobicContact CE2-CB 4.2Å; Y43-D111 WeakPolarHBondContact CE2-OD2 3.43Å; Y43-D111 VanDerWaalsContact CZ-OD2 3.3Å; Y43-D111 PolarHBondContact OH-OD2 3.19Å; D111-F113 HydrophobicContact CB-CD2 4.31Å; D111-F113 HydrophobicContact CB-CE2 3.45Å; D111-F113 VanDerWaalsContact CB-CE2 3.45Å; D111-F113 HydrophobicContact CB-CZ 3.91Å; D111-V122 HydrophobicContact CB-CB 4.37Å; D111-V122 PolarHBondContact N-O 3.15Å; D111-V122 WeakPolarHBondContact O-CB 3.49Å; D111-V122 PolarHBondContact O-N 3.06Å |
| 112 | A | 97.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 136.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V32 Y33 V94 | V32-A112 WeakPolarHBondContact CA-O 3.43Å; V32-A112 HydrophobicContact CG2-CB 4.45Å; Y33-A112 PolarHBondContact N-O 2.91Å; V94-A112 HydrophobicContact CG1-CB 3.79Å; V94-A112 HydrophobicContact CG2-CB 4.18Å |
| 113 | F | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.7 | 179.9 | -58.1 | -100.9 | 0 | 0 | 0 | 111.8 | Y33 E38 F39 Y43 D111 F115 W119 A120 V122 | Y33-F113 HydrophobicContact CD2-CE1 4.14Å; Y33-F113 HydrophobicContact CD2-CZ 4.25Å; Y33-F113 HydrophobicContact CG-CD1 4.29Å; Y33-F113 AromaticContact CG-CE1 3.98Å; Y33-F113 HydrophobicContact CG-CE1 3.98Å; Y33-F113 CarbonylContact O-C 3.59Å; Y33-F113 VanDerWaalsContact O-CA 3.24Å; Y33-F113 WeakPolarHBondContact O-CA 3.33Å; E38-F113 HydrophobicContact CB-CE1 4.41Å; E38-F113 HydrophobicContact CG-CE1 4.18Å; F39-F113 VanDerWaalsContact CA-CE1 3.42Å; F39-F113 HydrophobicContact CB-CD1 3.72Å; F39-F113 HydrophobicContact CB-CD2 4.46Å; F39-F113 HydrophobicContact CB-CE1 3.89Å; F39-F113 HydrophobicContact CB-CG 4.06Å; F39-F113 HydrophobicContact CB-CZ 4.33Å; F39-F113 AromaticContact CD2-CD2 3.87Å; F39-F113 HydrophobicContact CD2-CD2 3.87Å; F39-F113 AromaticContact CD2-CE2 3.83Å; F39-F113 HydrophobicContact CD2-CE2 3.83Å; F39-F113 HydrophobicContact CD2-CG 4.29Å; F39-F113 HydrophobicContact CD2-CZ 4.22Å; Y43-F113 HydrophobicContact CD2-CE2 4.03Å; Y43-F113 AromaticContact CD2-CZ 3.98Å; Y43-F113 HydrophobicContact CD2-CZ 3.98Å; Y43-F113 AromaticContact CE2-CE2 3.76Å; Y43-F113 HydrophobicContact CE2-CE2 3.76Å; Y43-F113 AromaticContact CE2-CZ 3.76Å; Y43-F113 HydrophobicContact CE2-CZ 3.76Å; D111-F113 HydrophobicContact CB-CD2 4.31Å; D111-F113 HydrophobicContact CB-CE2 3.45Å; D111-F113 VanDerWaalsContact CB-CE2 3.45Å; D111-F113 HydrophobicContact CB-CZ 3.91Å; F113-F115 HydrophobicContact CB-CD1 4.18Å; F113-F115 HydrophobicContact CB-CE1 3.45Å; F113-F115 VanDerWaalsContact CB-CE1 3.45Å; F113-F115 HydrophobicContact CB-CZ 3.9Å; F113-F115 HydrophobicContact CD1-CE1 4.46Å; F113-F115 HydrophobicContact CG-CE1 4.18Å; F113-W119 CarbonylContact O-C 3.54Å; F113-W119 VanDerWaalsContact O-CA 3.23Å; F113-W119 WeakPolarHBondContact O-CA 3.34Å; F113-A120 HydrophobicContact CB-CB 4.25Å; F113-A120 HydrophobicContact CD2-CB 4.49Å; F113-A120 PolarHBondContact N-O 3.15Å; F113-A120 PolarHBondContact O-N 3.35Å; F113-V122 HydrophobicContact CD2-CG2 3.92Å; F113-V122 HydrophobicContact CE2-CG2 3.72Å |
| 114 | N | 96.5 | Very high | 95.5 | Very high | 16 Ų | 16 | 23.7 Ų | 23.7 | 9% | 0.086 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 120.9 | 171.5 | 179.3 | 16.5 | 0 | 0 | 0 | 109.3 | V32 Y33 E34 G35 G116 W119 | V32-N114 HydrophobicContact CG1-CB 4.02Å; Y33-N114 PolarHBondContact O-N 2.82Å; E34-N114 VanDerWaalsContact CD-ND2 3.32Å; E34-N114 WeakPolarHBondContact OE1-CB 3.39Å; E34-N114 PolarHBondContact OE1-ND2 2.73Å; E34-N114 PolarHBondContact OE2-ND2 2.73Å; G35-N114 PolarHBondContact N-O 3.35Å; N114-G116 WeakPolarHBondContact OD1-CA 3.48Å; N114-G116 PolarHBondContact OD1-N 2.8Å; N114-W119 HydrophobicContact CB-CD2 4.2Å; N114-W119 HydrophobicContact CB-CE3 4.33Å; N114-W119 HydrophobicContact CB-CH2 3.9Å; N114-W119 HydrophobicContact CB-CZ2 3.73Å; N114-W119 HydrophobicContact CB-CZ3 4.2Å; N114-W119 PolarHBondContact OD1-NE1 2.9Å |
| 115 | F | 95 | Very high | 95.1 | Very high | 46 Ų | 46 | 25.6 Ų | 25.6 | 20% | 0.202 | 14% | 0.139 | C | C | . | . | trans | -107.4 | 12.6 | 173.3 | -49.9 | -30.7 | 0 | 0 | 0 | 111.6 | Y36 F39 F113 Q117 S118 A120 | Y36-F115 HydrophobicContact CD2-CD2 4.4Å; Y36-F115 HydrophobicContact CD2-CE1 4.17Å; Y36-F115 AromaticContact CD2-CE2 3.89Å; Y36-F115 HydrophobicContact CD2-CE2 3.89Å; Y36-F115 AromaticContact CD2-CZ 3.77Å; Y36-F115 HydrophobicContact CD2-CZ 3.77Å; F39-F115 HydrophobicContact CB-CE1 3.83Å; F39-F115 HydrophobicContact CB-CZ 3.76Å; F39-F115 HydrophobicContact CD1-CZ 4.31Å; F39-F115 HydrophobicContact CD2-CZ 4.35Å; F39-F115 HydrophobicContact CG-CE1 4.46Å; F39-F115 AromaticContact CG-CZ 3.88Å; F39-F115 HydrophobicContact CG-CZ 3.88Å; F113-F115 HydrophobicContact CB-CD1 4.18Å; F113-F115 HydrophobicContact CB-CE1 3.45Å; F113-F115 VanDerWaalsContact CB-CE1 3.45Å; F113-F115 HydrophobicContact CB-CZ 3.9Å; F113-F115 HydrophobicContact CD1-CE1 4.46Å; F113-F115 HydrophobicContact CG-CE1 4.18Å; F115-Q117 PolarHBondContact O-N 2.7Å; F115-S118 CarbonylContact C-O 3.45Å; F115-S118 WeakPolarHBondContact CA-O 3.26Å; F115-S118 WeakPolarHBondContact CB-O 3.46Å; F115-S118 PolarHBondContact N-O 2.7Å; F115-A120 HydrophobicContact CE2-CB 3.61Å; F115-A120 HydrophobicContact CZ-CB 3.58Å | ||
| 116 | G | 92.2 | Very high | 94.1 | Very high | 27 Ų | 27 | 26.5 Ų | 26.5 | 28% | 0.278 | 14% | 0.141 | S | C | . | . | S | Bend | trans | 75.5 | -62.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S76 N114 | S76-G116 WeakPolarHBondContact CB-O 3.32Å; S76-G116 PolarHBondContact OG-O 3.38Å; N114-G116 WeakPolarHBondContact OD1-CA 3.48Å; N114-G116 PolarHBondContact OD1-N 2.8Å |
| 117 | Q | 91.6 | Very high | 93.2 | Very high | 156 Ų | 156 | 28.4 Ų | 28.4 | 73% | 0.729 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -82.2 | -23 | 177.4 | -63.3 | -162.7 | 47.4 | 0 | 0 | 113.3 | S76 F115 | S76-Q117 WeakPolarHBondContact CB-O 3.32Å; S76-Q117 PolarHBondContact N-O 2.81Å; S76-Q117 PolarHBondContact OG-O 2.8Å; F115-Q117 PolarHBondContact O-N 2.7Å |
| 118 | S | 93.5 | Very high | 92.4 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 170.8 | 173.4 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | E73 V74 F115 | E73-S118 WeakPolarHBondContact OE1-CB 3.47Å; E73-S118 PolarHBondContact OE1-OG 3.4Å; V74-S118 CarbonylContact O-C 3.6Å; V74-S118 VanDerWaalsContact O-CA 3.28Å; V74-S118 WeakPolarHBondContact O-CA 3.49Å; V74-S118 WeakPolarHBondContact O-CB 3.44Å; F115-S118 CarbonylContact C-O 3.45Å; F115-S118 WeakPolarHBondContact CA-O 3.26Å; F115-S118 WeakPolarHBondContact CB-O 3.46Å; F115-S118 PolarHBondContact N-O 2.7Å |
| 119 | W | 95.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 137 | 178.2 | -78.3 | 66 | 0 | 0 | 0 | 108.8 | V32 E73 V74 W82 L89 M90 P91 V94 F113 N114 | V32-W119 HydrophobicContact CB-CZ3 4.48Å; V32-W119 HydrophobicContact CG1-CE3 4.46Å; V32-W119 HydrophobicContact CG1-CH2 3.79Å; V32-W119 HydrophobicContact CG1-CZ3 3.52Å; V32-W119 HydrophobicContact CG2-CH2 4.49Å; V32-W119 HydrophobicContact CG2-CZ3 4.08Å; E73-W119 CarbonylContact C-O 3.52Å; E73-W119 VanDerWaalsContact CA-O 3.3Å; E73-W119 WeakPolarHBondContact CA-O 3.29Å; V74-W119 PolarHBondContact N-O 3.44Å; V74-W119 PolarHBondContact O-N 3.17Å; W82-W119 AromaticContact CH2-NE1 3.56Å; W82-W119 AromaticContact CZ3-CE2 3.96Å; W82-W119 HydrophobicContact CZ3-CZ2 4.07Å; W82-W119 AromaticContact CZ3-NE1 3.77Å; L89-W119 WeakPolarHBondContact O-CZ2 3.46Å; M90-W119 HydrophobicContact CB-CH2 3.47Å; M90-W119 VanDerWaalsContact CB-CH2 3.47Å; M90-W119 HydrophobicContact CB-CZ2 4.27Å; M90-W119 HydrophobicContact CB-CZ3 3.76Å; P91-W119 VanDerWaalsContact CD-CD2 3.45Å; P91-W119 VanDerWaalsContact CD-CE3 3.41Å; P91-W119 HydrophobicContact CG-CB 4.29Å; P91-W119 HydrophobicContact CG-CD2 3.73Å; P91-W119 HydrophobicContact CG-CE3 3.97Å; P91-W119 HydrophobicContact CG-CG 3.85Å; V94-W119 HydrophobicContact CG2-CE3 4.49Å; F113-W119 CarbonylContact O-C 3.54Å; F113-W119 VanDerWaalsContact O-CA 3.23Å; F113-W119 WeakPolarHBondContact O-CA 3.34Å; N114-W119 HydrophobicContact CB-CD2 4.2Å; N114-W119 HydrophobicContact CB-CE3 4.33Å; N114-W119 HydrophobicContact CB-CH2 3.9Å; N114-W119 HydrophobicContact CB-CZ2 3.73Å; N114-W119 HydrophobicContact CB-CZ3 4.2Å; N114-W119 PolarHBondContact OD1-NE1 2.9Å |
| 120 | A | 96.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.017 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 115 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V71 F113 F115 | V71-A120 HydrophobicContact CG1-CB 3.8Å; F113-A120 HydrophobicContact CB-CB 4.25Å; F113-A120 HydrophobicContact CD2-CB 4.49Å; F113-A120 PolarHBondContact N-O 3.15Å; F113-A120 PolarHBondContact O-N 3.35Å; F115-A120 HydrophobicContact CE2-CB 3.61Å; F115-A120 HydrophobicContact CZ-CB 3.58Å |
| 121 | I | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 109.9 | 175.3 | -54.7 | -178.9 | 0 | 0 | 0 | 106.7 | K72 V74 E93 V94 L97 L109 M123 | K72-I121 HydrophobicContact CB-CB 4.38Å; K72-I121 PolarHBondContact N-O 3.05Å; K72-I121 PolarHBondContact O-N 3.48Å; V74-I121 HydrophobicContact CG2-CD1 4.37Å; E93-I121 HydrophobicContact CB-CD1 4.09Å; E93-I121 HydrophobicContact CG-CD1 3.87Å; V94-I121 HydrophobicContact CG2-CD1 4.01Å; V94-I121 HydrophobicContact CG2-CG1 4.08Å; L97-I121 HydrophobicContact CD1-CG2 3.89Å; L109-I121 HydrophobicContact CD1-CG2 3.48Å; L109-I121 VanDerWaalsContact CD1-CG2 3.48Å; I121-M123 HydrophobicContact CG2-CE 4.41Å; I121-M123 HydrophobicContact CG2-CG 4.28Å; I121-M123 HydrophobicContact CG2-SD 4.37Å |
| 122 | V | 97 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127.1 | -175.9 | -171 | 0 | 0 | 0 | 0 | 109.8 | F39 Y43 V69 V70 V71 L109 L110 D111 F113 | F39-V122 HydrophobicContact CD2-CG2 4.43Å; F39-V122 HydrophobicContact CE2-CG2 4.11Å; Y43-V122 HydrophobicContact CD1-CG1 4.23Å; Y43-V122 HydrophobicContact CD2-CG2 4.5Å; Y43-V122 HydrophobicContact CE1-CG1 3.73Å; Y43-V122 HydrophobicContact CE2-CG1 4.29Å; Y43-V122 HydrophobicContact CE2-CG2 4.32Å; V69-V122 HydrophobicContact CB-CG1 3.98Å; V69-V122 HydrophobicContact CG2-CG1 3.74Å; V70-V122 WeakPolarHBondContact O-CA 3.41Å; V71-V122 HydrophobicContact CG1-CG2 4.37Å; V71-V122 HydrophobicContact CG2-CG1 4.27Å; V71-V122 HydrophobicContact CG2-CG2 4.17Å; L109-V122 WeakPolarHBondContact CD1-O 3.36Å; L110-V122 HydrophobicContact CB-CG1 4.43Å; L110-V122 PolarHBondContact N-O 2.99Å; D111-V122 HydrophobicContact CB-CB 4.37Å; D111-V122 PolarHBondContact N-O 3.15Å; D111-V122 WeakPolarHBondContact O-CB 3.49Å; D111-V122 PolarHBondContact O-N 3.06Å; F113-V122 HydrophobicContact CD2-CG2 3.92Å; F113-V122 HydrophobicContact CE2-CG2 3.72Å |
| 123 | M | 95.8 | Very high | 91.3 | Very high | 17 Ų | 17 | 33.3 Ų | 33.3 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 159.7 | -169.1 | -73 | 175.1 | -70.8 | 0 | 0 | 111.6 | V69 V70 K72 L97 V107 N108 I121 Q125 | V69-M123 WeakPolarHBondContact CA-O 3.24Å; V69-M123 WeakPolarHBondContact CB-O 3.42Å; V70-M123 PolarHBondContact N-O 3.44Å; V70-M123 PolarHBondContact O-N 3.41Å; K72-M123 HydrophobicContact CB-CE 3.66Å; K72-M123 HydrophobicContact CD-CE 4.47Å; L97-M123 HydrophobicContact CD1-SD 4.24Å; V107-M123 HydrophobicContact CG1-SD 3.89Å; V107-M123 HydrophobicContact CG2-CB 3.76Å; V107-M123 HydrophobicContact CG2-CG 4.11Å; V107-M123 HydrophobicContact CG2-SD 4.04Å; N108-M123 VanDerWaalsContact O-CA 3.29Å; N108-M123 WeakPolarHBondContact O-CA 3.27Å; I121-M123 HydrophobicContact CG2-CE 4.41Å; I121-M123 HydrophobicContact CG2-CG 4.28Å; I121-M123 HydrophobicContact CG2-SD 4.37Å; M123-Q125 PolarHBondContact O-N 2.75Å |
| 124 | D | 92.9 | Very high | 91.2 | Very high | 31 Ų | 31 | 36.7 Ų | 36.7 | 17% | 0.166 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 128.4 | 171.5 | -89.8 | -18.7 | 0 | 0 | 0 | 111.8 | K67 N108 L110 V126 | K67-D124 WeakPolarHBondContact CE-OD1 3.24Å; K67-D124 IonicContact NZ-OD1 3.9Å; K67-D124 PolarHBondContact NZ-OD1 3.43Å; K67-D124 IonicContact NZ-OD2 2.64Å; N108-D124 HydrophobicContact CB-CB 4.4Å; N108-D124 PolarHBondContact ND2-OD2 2.92Å; N108-D124 PolarHBondContact O-N 2.98Å; N108-D124 VanDerWaalsContact O-N 3.12Å; L110-D124 WeakPolarHBondContact CD2-OD1 3.49Å; D124-V126 PolarHBondContact O-N 3.07Å |
| 125 | Q | 85.7 | Confident | 91.1 | Very high | 60 Ų | 60 | 39.2 Ų | 39.2 | 28% | 0.28 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -73.1 | 118.6 | 166.2 | 177.9 | 163 | -24.1 | 0 | 0 | 109.3 | H59 E68 V70 M123 | H59-Q125 PolarHBondContact CE1-NE2 2.77Å; H59-Q125 PolarHBondContact ND1-NE2 3.11Å; H59-Q125 PolarHBondContact ND1-OE1 3.48Å; E68-Q125 HydrophobicContact CB-CB 4.03Å; E68-Q125 HydrophobicContact CB-CG 4.35Å; V70-Q125 HydrophobicContact CG2-CB 4.02Å; V70-Q125 HydrophobicContact CG2-CG 4.21Å; M123-Q125 PolarHBondContact O-N 2.75Å |
| 126 | V | 76 | Confident | 91.1 | Very high | 38 Ų | 38 | 37.2 Ų | 37.2 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 156.5 | 172.5 | -155.2 | 0 | 0 | 0 | 0 | 109.7 | D124 T130 L178 V187 | D124-V126 PolarHBondContact O-N 3.07Å; V126-T130 HydrophobicContact CB-CG2 4.13Å; V126-T130 HydrophobicContact CG1-CG2 3.93Å; V126-T130 WeakPolarHBondContact CG1-OG1 3.4Å; V126-L178 HydrophobicContact CB-CD1 4.41Å; V126-L178 HydrophobicContact CG2-CD1 3.72Å; V126-V187 HydrophobicContact CG1-CG2 4.19Å; V126-V187 HydrophobicContact CG2-CG1 4.46Å |
| 127 | S | 77.5 | Confident | 91.3 | Very high | 49 Ų | 49 | 36.4 Ų | 36.4 | 34% | 0.343 | 20% | 0.204 | S | C | . | . | trans | -42.2 | 147.6 | -174.9 | -174.6 | 0 | 0 | 0 | 0 | 114.6 | T129 T130 | S127-T129 PolarHBondContact O-N 2.98Å; S127-T129 PolarHBondContact OG-N 2.81Å; S127-T129 PolarHBondContact OG-OG1 3.11Å; S127-T130 WeakPolarHBondContact O-CB 3.28Å; S127-T130 PolarHBondContact O-N 2.94Å; S127-T130 PolarHBondContact O-OG1 3.4Å | ||
| 128 | S | 79.7 | Confident | 91.4 | Very high | 122 Ų | 122 | 32 Ų | 32 | 85% | 0.853 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -5.8 | 168.8 | 56.7 | 0 | 0 | 0 | 0 | 114 | ||
| 129 | T | 86.7 | Confident | 91.4 | Very high | 50 Ų | 50 | 37 Ų | 37 | 31% | 0.307 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 11.5 | 170.4 | 58.7 | 0 | 0 | 0 | 0 | 113.3 | S127 N180 R181 T182 | S127-T129 PolarHBondContact O-N 2.98Å; S127-T129 PolarHBondContact OG-N 2.81Å; S127-T129 PolarHBondContact OG-OG1 3.11Å; T129-N180 PolarHBondContact OG1-OD1 2.79Å; T129-R181 WeakPolarHBondContact O-CB 3.49Å; T129-R181 VanDerWaalsContact O-CG 3.28Å; T129-R181 WeakPolarHBondContact O-CG 3.29Å; T129-R181 PolarHBondContact O-N 3.31Å; T129-T182 WeakPolarHBondContact CB-OG1 3.19Å; T129-T182 WeakPolarHBondContact CG2-OG1 3.37Å; T129-T182 PolarHBondContact OG1-OG1 3.33Å |
| 130 | T | 90 | Very high | 91.1 | Very high | 31 Ų | 31 | 43.7 Ų | 43.7 | 19% | 0.19 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 144.1 | -179.4 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | V126 S127 L178 I179 | V126-T130 HydrophobicContact CB-CG2 4.13Å; V126-T130 HydrophobicContact CG1-CG2 3.93Å; V126-T130 WeakPolarHBondContact CG1-OG1 3.4Å; S127-T130 WeakPolarHBondContact O-CB 3.28Å; S127-T130 PolarHBondContact O-N 2.94Å; S127-T130 PolarHBondContact O-OG1 3.4Å; T130-L178 HydrophobicContact CG2-CB 3.69Å; T130-L178 HydrophobicContact CG2-CD1 4.3Å; T130-L178 HydrophobicContact CG2-CD2 4.5Å; T130-L178 HydrophobicContact CG2-CG 4.39Å; T130-I179 WeakPolarHBondContact CA-O 3.5Å |
| 131 | C | 91.9 | Very high | 90.8 | Very high | 18 Ų | 18 | 45 Ų | 45 | 12% | 0.122 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 170.8 | 164 | 63.9 | 0 | 0 | 0 | 0 | 109 | L178 I179 R181 | C131-L178 CarbonylContact O-C 3.53Å; C131-L178 VanDerWaalsContact O-CA 3.31Å; C131-L178 WeakPolarHBondContact O-CA 3.2Å; C131-I179 PolarHBondContact N-O 2.88Å; C131-I179 PolarHBondContact O-N 2.81Å; C131-R181 VanDerWaalsContact SG-CZ 3.57Å; C131-R181 PolarHBondContact SG-NE 3.47Å; C131-R181 PolarHBondContact SG-NH2 3.19Å |
| 132 | D | 93.8 | Very high | 90.7 | Very high | 19 Ų | 19 | 49 Ų | 49 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 168.4 | 161.2 | 58.3 | 75 | 0 | 0 | 0 | 112.1 | F134 D135 Y136 I177 L178 | D132-F134 WeakPolarHBondContact OD1-CA 3.43Å; D132-F134 WeakPolarHBondContact OD1-CB 3.3Å; D132-F134 PolarHBondContact OD1-N 2.86Å; D132-F134 VanDerWaalsContact OD1-N 3.14Å; D132-D135 PolarHBondContact OD1-N 3.42Å; D132-Y136 PolarHBondContact O-N 3.47Å; D132-Y136 VanDerWaalsContact O-N 3.13Å; D132-I177 CarbonylContact C-O 3.52Å; D132-I177 WeakPolarHBondContact CA-O 3.19Å; D132-L178 HydrophobicContact CB-CD2 3.93Å |
| 133 | M | 96.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -77.3 | -22.7 | -177.5 | 179.3 | 174.2 | -73 | 0 | 0 | 112.3 | Y136 I137 Y151 D174 I177 I179 L186 L235 M239 | M133-Y136 PolarHBondContact O-N 3.35Å; M133-I137 HydrophobicContact CG-CD1 3.76Å; M133-I137 HydrophobicContact CG-CG1 4.24Å; M133-I137 WeakPolarHBondContact O-CB 3.37Å; M133-I137 VanDerWaalsContact O-CG1 3.28Å; M133-I137 WeakPolarHBondContact O-CG1 3.48Å; M133-I137 PolarHBondContact O-N 2.99Å; M133-Y151 HydrophobicContact CE-CG 4.26Å; M133-D174 HydrophobicContact CB-CB 4.07Å; M133-D174 WeakPolarHBondContact CB-O 3.14Å; M133-D174 HydrophobicContact CG-CB 4.04Å; M133-D174 PolarHBondContact N-O 2.84Å; M133-I177 HydrophobicContact CB-CB 4.28Å; M133-I177 HydrophobicContact CB-CG2 4.41Å; M133-I177 WeakPolarHBondContact CB-O 3.41Å; M133-I177 HydrophobicContact CE-CG2 3.69Å; M133-I177 PolarHBondContact N-O 3.28Å; M133-I177 HydrophobicContact SD-CG2 4.37Å; M133-I179 HydrophobicContact CB-CD1 3.89Å; M133-I179 HydrophobicContact CB-CG1 4.24Å; M133-I179 HydrophobicContact CE-CD1 3.69Å; M133-I179 HydrophobicContact CE-CG1 4.08Å; M133-I179 HydrophobicContact CG-CD1 3.98Å; M133-L186 HydrophobicContact CE-CD2 3.92Å; M133-L235 HydrophobicContact SD-CD1 4.08Å; M133-M239 HydrophobicContact CE-CE 3.68Å; M133-M239 HydrophobicContact SD-CE 3.39Å; M133-M239 WeakPolarHBondContact SD-CE 3.36Å; M133-M239 HydrophobicContact SD-CG 4.37Å |
| 134 | F | 95.1 | Very high | 90.6 | Very high | 71 Ų | 71 | 50.8 Ų | 50.8 | 31% | 0.311 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.8 | -52.5 | 172.8 | 173.7 | -85.8 | 0 | 0 | 0 | 110.1 | D132 Y136 I137 G138 D174 E175 | D132-F134 WeakPolarHBondContact OD1-CA 3.43Å; D132-F134 WeakPolarHBondContact OD1-CB 3.3Å; D132-F134 PolarHBondContact OD1-N 2.86Å; D132-F134 VanDerWaalsContact OD1-N 3.14Å; F134-Y136 VanDerWaalsContact C-N 3.31Å; F134-Y136 PolarHBondContact O-N 2.88Å; F134-I137 PolarHBondContact O-N 2.88Å; F134-G138 PolarHBondContact O-N 3.35Å; F134-D174 HydrophobicContact CB-CB 4.42Å; F134-D174 VanDerWaalsContact CB-OD2 3.31Å; F134-D174 WeakPolarHBondContact CB-OD2 3.24Å; F134-D174 VanDerWaalsContact CD2-OD2 3.31Å; F134-D174 WeakPolarHBondContact CD2-OD2 3.3Å; F134-E175 HydrophobicContact CB-CG 3.96Å; F134-E175 HydrophobicContact CD2-CG 4.22Å; F134-E175 HydrophobicContact CG-CG 4.26Å |
| 135 | D | 94 | Very high | 90.8 | Very high | 69 Ų | 69 | 50.8 Ų | 50.8 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65 | -33.6 | 175.2 | -97.6 | 2.1 | 0 | 0 | 0 | 111.7 | D132 G138 E139 | D132-D135 PolarHBondContact OD1-N 3.42Å; D135-G138 PolarHBondContact O-N 2.84Å; D135-E139 WeakPolarHBondContact O-CB 3.28Å; D135-E139 PolarHBondContact O-N 2.84Å |
| 136 | Y | 95.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 174.3 | -167.3 | -92.2 | 0 | 0 | 0 | 112.5 | D132 M133 F134 E139 R140 L143 E147 Y151 I179 R181 | D132-Y136 PolarHBondContact O-N 3.47Å; D132-Y136 VanDerWaalsContact O-N 3.13Å; M133-Y136 PolarHBondContact O-N 3.35Å; F134-Y136 VanDerWaalsContact C-N 3.31Å; F134-Y136 PolarHBondContact O-N 2.88Å; Y136-E139 PolarHBondContact O-N 2.99Å; Y136-R140 HydrophobicContact CD1-CG 4.03Å; Y136-R140 HydrophobicContact CE1-CG 3.79Å; Y136-R140 HydrophobicContact CE2-CG 4.4Å; Y136-R140 HydrophobicContact CG-CG 4.43Å; Y136-R140 VanDerWaalsContact O-CB 3.25Å; Y136-R140 WeakPolarHBondContact O-CB 3.44Å; Y136-R140 VanDerWaalsContact O-CG 3.3Å; Y136-R140 WeakPolarHBondContact O-CG 3.28Å; Y136-R140 PolarHBondContact O-N 3.3Å; Y136-R140 PolarHBondContact OH-NH1 3.44Å; Y136-L143 HydrophobicContact CD1-CD2 3.94Å; Y136-L143 HydrophobicContact CE1-CD2 3.75Å; Y136-E147 PolarHBondContact OH-OE1 3.28Å; Y136-Y151 HydrophobicContact CE1-CE2 4.04Å; Y136-Y151 PolarHBondContact OH-OH 3.28Å; Y136-Y151 VanDerWaalsContact OH-OH 3.09Å; Y136-I179 HydrophobicContact CD1-CD1 3.86Å; Y136-I179 HydrophobicContact CD2-CD1 4.05Å; Y136-I179 HydrophobicContact CD2-CG2 4.37Å; Y136-I179 HydrophobicContact CE1-CD1 4.44Å; Y136-I179 HydrophobicContact CE2-CG2 4.32Å; Y136-I179 HydrophobicContact CG-CD1 3.63Å; Y136-R181 HydrophobicContact CD2-CG 4.41Å; Y136-R181 HydrophobicContact CE2-CG 4.34Å |
| 137 | I | 95.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 51.5 Ų | 51.5 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.7 | -35.7 | 176.6 | -67.8 | 168.7 | 0 | 0 | 0 | 110.3 | M133 F134 G141 L143 D238 M239 | M133-I137 HydrophobicContact CG-CD1 3.76Å; M133-I137 HydrophobicContact CG-CG1 4.24Å; M133-I137 WeakPolarHBondContact O-CB 3.37Å; M133-I137 VanDerWaalsContact O-CG1 3.28Å; M133-I137 WeakPolarHBondContact O-CG1 3.48Å; M133-I137 PolarHBondContact O-N 2.99Å; F134-I137 PolarHBondContact O-N 2.88Å; I137-G141 CarbonylContact O-C 3.59Å; I137-G141 WeakPolarHBondContact O-CA 3.4Å; I137-G141 PolarHBondContact O-N 2.99Å; I137-L143 HydrophobicContact CG1-CD1 4.27Å; I137-L143 HydrophobicContact CG1-CD2 4.43Å; I137-L143 HydrophobicContact CG1-CG 4.27Å; I137-D238 VanDerWaalsContact CD1-OD2 3.28Å; I137-D238 WeakPolarHBondContact CD1-OD2 3.2Å; I137-M239 HydrophobicContact CD1-CG 4.28Å |
| 138 | G | 94 | Very high | 93.2 | Very high | 64 Ų | 64 | 49.2 Ų | 49.2 | 66% | 0.66 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.5 | -39.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F134 D135 | F134-G138 PolarHBondContact O-N 3.35Å; D135-G138 PolarHBondContact O-N 2.84Å |
| 139 | E | 92.9 | Very high | 94.1 | Very high | 118 Ų | 118 | 43.4 Ų | 43.4 | 55% | 0.551 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -79.3 | -42.6 | 176.1 | -80.5 | -175.4 | -133.1 | 0 | 0 | 113.7 | D135 Y136 R181 | D135-E139 WeakPolarHBondContact O-CB 3.28Å; D135-E139 PolarHBondContact O-N 2.84Å; Y136-E139 PolarHBondContact O-N 2.99Å; E139-R181 VanDerWaalsContact CD-NH1 3.28Å; E139-R181 VanDerWaalsContact CD-NH2 3.3Å; E139-R181 IonicContact OE1-CZ 3.18Å; E139-R181 IonicContact OE1-NH1 2.76Å; E139-R181 PolarHBondContact OE1-NH1 3.46Å; E139-R181 VanDerWaalsContact OE1-NH1 3.1Å; E139-R181 IonicContact OE1-NH2 3.96Å; E139-R181 PolarHBondContact OE1-NH2 3.13Å; E139-R181 IonicContact OE2-CZ 3.08Å; E139-R181 IonicContact OE2-NH1 3.72Å; E139-R181 PolarHBondContact OE2-NH1 3.16Å; E139-R181 IonicContact OE2-NH2 2.71Å |
| 140 | R | 89.7 | Confident | 94.6 | Very high | 144 Ų | 144 | 43.4 Ų | 43.4 | 54% | 0.543 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -84.7 | -22.4 | -175.8 | -65.3 | -57.1 | -167 | 83.6 | 1.3 | 113.5 | Y136 L143 E147 | Y136-R140 HydrophobicContact CD1-CG 4.03Å; Y136-R140 HydrophobicContact CE1-CG 3.79Å; Y136-R140 HydrophobicContact CE2-CG 4.4Å; Y136-R140 HydrophobicContact CG-CG 4.43Å; Y136-R140 VanDerWaalsContact O-CB 3.25Å; Y136-R140 WeakPolarHBondContact O-CB 3.44Å; Y136-R140 VanDerWaalsContact O-CG 3.3Å; Y136-R140 WeakPolarHBondContact O-CG 3.28Å; Y136-R140 PolarHBondContact O-N 3.3Å; Y136-R140 PolarHBondContact OH-NH1 3.44Å; R140-L143 HydrophobicContact CB-CD2 4.07Å; R140-E147 IonicContact NH1-OE1 2.75Å |
| 141 | G | 90.6 | Very high | 94.9 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | trans | 70.5 | -157.3 | -163 | 0 | 0 | 0 | 0 | 0 | 111.9 | I137 L143 | I137-G141 CarbonylContact O-C 3.59Å; I137-G141 WeakPolarHBondContact O-CA 3.4Å; I137-G141 PolarHBondContact O-N 2.99Å; G141-L143 PolarHBondContact O-N 3.46Å | ||
| 142 | M | 93.8 | Very high | 95.2 | Very high | 83 Ų | 83 | 41.3 Ų | 41.3 | 41% | 0.409 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -62.5 | 118.5 | -176.8 | -50 | 177.3 | -174.9 | 0 | 0 | 111.4 | C241 R261 | M142-C241 WeakPolarHBondContact CE-O 3.2Å; M142-R261 HydrophobicContact SD-CB 4Å; M142-R261 HydrophobicContact SD-CG 4.2Å |
| 143 | L | 95.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 160.4 | -174.7 | -54.9 | -173.7 | 0 | 0 | 0 | 112.4 | Y136 I137 R140 G141 E147 A148 Y151 M239 R261 | Y136-L143 HydrophobicContact CD1-CD2 3.94Å; Y136-L143 HydrophobicContact CE1-CD2 3.75Å; I137-L143 HydrophobicContact CG1-CD1 4.27Å; I137-L143 HydrophobicContact CG1-CD2 4.43Å; I137-L143 HydrophobicContact CG1-CG 4.27Å; R140-L143 HydrophobicContact CB-CD2 4.07Å; G141-L143 PolarHBondContact O-N 3.46Å; L143-E147 HydrophobicContact CB-CG 4.42Å; L143-A148 HydrophobicContact CB-CB 4.43Å; L143-Y151 HydrophobicContact CD1-CD2 4.24Å; L143-Y151 HydrophobicContact CD1-CE2 4.41Å; L143-M239 WeakPolarHBondContact CB-O 3.28Å; L143-M239 HydrophobicContact CD1-CB 4.21Å; L143-M239 HydrophobicContact CD1-CG 4.26Å; L143-M239 WeakPolarHBondContact CG-O 3.4Å; L143-M239 PolarHBondContact N-O 2.85Å; L143-R261 PolarHBondContact O-NH1 3.24Å; L143-R261 PolarHBondContact O-NH2 3.37Å |
| 144 | S | 95.7 | Very high | 95.5 | Very high | 54 Ų | 54 | 40.5 Ų | 40.5 | 38% | 0.378 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -74.1 | 152.9 | 168.9 | 70.7 | 0 | 0 | 0 | 0 | 111 | S146 E147 A148 | S144-S146 VanDerWaalsContact C-N 3.26Å; S144-S146 PolarHBondContact O-N 2.8Å; S144-E147 PolarHBondContact N-OE2 3.12Å; S144-E147 PolarHBondContact O-N 3.11Å; S144-E147 VanDerWaalsContact O-N 3.16Å; S144-E147 WeakPolarHBondContact OG-CB 3.46Å; S144-E147 PolarHBondContact OG-N 3.48Å; S144-E147 PolarHBondContact OG-OE2 2.9Å; S144-A148 WeakPolarHBondContact O-CB 3.41Å; S144-A148 PolarHBondContact O-N 2.82Å |
| 145 | E | 97.3 | Very high | 95.7 | Very high | 30 Ų | 30 | 37.1 Ų | 37.1 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.9 | -36.3 | 179.8 | -74.4 | -175.6 | -150.3 | 0 | 0 | 112.9 | E147 A149 L240 S265 W294 H298 | E145-E147 VanDerWaalsContact C-N 3.35Å; E145-A149 WeakPolarHBondContact O-CB 3.33Å; E145-A149 PolarHBondContact O-N 2.84Å; E145-L240 HydrophobicContact CG-CD2 3.95Å; E145-S265 WeakPolarHBondContact OE1-CB 3.45Å; E145-S265 PolarHBondContact OE1-N 3.33Å; E145-S265 PolarHBondContact OE1-OG 3.19Å; E145-S265 WeakPolarHBondContact OE2-CB 3.49Å; E145-S265 PolarHBondContact OE2-OG 3.02Å; E145-W294 HydrophobicContact CB-CZ2 3.92Å; E145-W294 HydrophobicContact CG-CZ2 4.2Å; E145-W294 WeakPolarHBondContact O-CZ2 3.27Å; E145-W294 PolarHBondContact OE2-NE1 3.22Å; E145-H298 WeakPolarHBondContact CB-NE2 3.48Å; E145-H298 IonicContact OE2-NE2 2.74Å; E145-H298 PolarHBondContact OE2-NE2 3.15Å |
| 146 | S | 96 | Very high | 95.9 | Very high | 69 Ų | 69 | 33.9 Ų | 33.9 | 48% | 0.483 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.3 | -35 | 177.3 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | S144 F150 | S144-S146 VanDerWaalsContact C-N 3.26Å; S144-S146 PolarHBondContact O-N 2.8Å; S146-F150 WeakPolarHBondContact O-CB 3.32Å; S146-F150 PolarHBondContact O-N 2.86Å |
| 147 | E | 95.9 | Very high | 96 | Very high | 45 Ų | 45 | 33.7 Ų | 33.7 | 21% | 0.21 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -75.2 | -46.8 | 176.8 | 178.2 | 177.7 | -150.9 | 0 | 0 | 111.8 | Y136 R140 L143 S144 E145 A149 F150 Y151 | Y136-E147 PolarHBondContact OH-OE1 3.28Å; R140-E147 IonicContact NH1-OE1 2.75Å; L143-E147 HydrophobicContact CB-CG 4.42Å; S144-E147 PolarHBondContact N-OE2 3.12Å; S144-E147 PolarHBondContact O-N 3.11Å; S144-E147 VanDerWaalsContact O-N 3.16Å; S144-E147 WeakPolarHBondContact OG-CB 3.46Å; S144-E147 PolarHBondContact OG-N 3.48Å; S144-E147 PolarHBondContact OG-OE2 2.9Å; E145-E147 VanDerWaalsContact C-N 3.35Å; E147-A149 VanDerWaalsContact C-N 3.34Å; E147-A149 PolarHBondContact O-N 3.32Å; E147-F150 WeakPolarHBondContact O-CB 3.45Å; E147-F150 PolarHBondContact O-N 3.34Å; E147-Y151 HydrophobicContact CG-CD2 4.25Å; E147-Y151 HydrophobicContact CG-CE2 3.75Å; E147-Y151 VanDerWaalsContact O-CD2 3.25Å; E147-Y151 WeakPolarHBondContact O-CD2 3.35Å; E147-Y151 PolarHBondContact O-N 3.47Å; E147-Y151 VanDerWaalsContact O-N 3.08Å |
| 148 | A | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.8 | -46.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L143 S144 F150 Y151 F152 M239 L240 W294 | L143-A148 HydrophobicContact CB-CB 4.43Å; S144-A148 WeakPolarHBondContact O-CB 3.41Å; S144-A148 PolarHBondContact O-N 2.82Å; A148-F150 VanDerWaalsContact C-N 3.34Å; A148-F150 PolarHBondContact O-N 3.02Å; A148-Y151 PolarHBondContact O-N 3.12Å; A148-F152 VanDerWaalsContact O-CB 3.3Å; A148-F152 WeakPolarHBondContact O-CB 3.47Å; A148-F152 PolarHBondContact O-N 2.96Å; A148-M239 HydrophobicContact CB-CB 4.07Å; A148-M239 HydrophobicContact CB-SD 4.16Å; A148-L240 HydrophobicContact CB-CD2 3.62Å; A148-L240 HydrophobicContact CB-CG 4.22Å; A148-W294 HydrophobicContact CB-CH2 4.17Å |
| 149 | A | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.4 | -37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | E145 E147 F152 H153 W294 M295 H298 | E145-A149 WeakPolarHBondContact O-CB 3.33Å; E145-A149 PolarHBondContact O-N 2.84Å; E147-A149 VanDerWaalsContact C-N 3.34Å; E147-A149 PolarHBondContact O-N 3.32Å; A149-F152 PolarHBondContact O-N 2.92Å; A149-H153 PolarHBondContact O-N 3.09Å; A149-H153 PolarHBondContact O-ND1 2.91Å; A149-W294 HydrophobicContact CB-CE3 4.42Å; A149-W294 HydrophobicContact CB-CH2 3.61Å; A149-W294 HydrophobicContact CB-CZ2 4.04Å; A149-W294 HydrophobicContact CB-CZ3 3.82Å; A149-M295 HydrophobicContact CB-SD 4.43Å; A149-H298 HydrophobicContact CB-CB 3.42Å; A149-H298 VanDerWaalsContact CB-CB 3.42Å |
| 150 | F | 96.9 | Very high | 96.6 | Very high | 51 Ų | 51 | 26.6 Ų | 26.6 | 22% | 0.224 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 176.4 | 179.7 | -92.4 | 0 | 0 | 0 | 112 | S146 E147 A148 Q154 N184 P300 P307 I310 | S146-F150 WeakPolarHBondContact O-CB 3.32Å; S146-F150 PolarHBondContact O-N 2.86Å; E147-F150 WeakPolarHBondContact O-CB 3.45Å; E147-F150 PolarHBondContact O-N 3.34Å; A148-F150 VanDerWaalsContact C-N 3.34Å; A148-F150 PolarHBondContact O-N 3.02Å; F150-Q154 PolarHBondContact O-N 2.93Å; F150-N184 HydrophobicContact CE1-CB 3.77Å; F150-P300 HydrophobicContact CD2-CB 4.3Å; F150-P300 HydrophobicContact CD2-CG 4.03Å; F150-P307 HydrophobicContact CZ-CG 4.1Å; F150-I310 HydrophobicContact CD2-CD1 3.72Å; F150-I310 HydrophobicContact CE1-CD1 4.4Å; F150-I310 HydrophobicContact CE2-CD1 3.4Å; F150-I310 VanDerWaalsContact CE2-CD1 3.4Å; F150-I310 HydrophobicContact CG-CD1 4.34Å; F150-I310 HydrophobicContact CZ-CD1 3.79Å |
| 151 | Y | 97.8 | Very high | 97 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.4 | -38.6 | 173.1 | -64.5 | -52 | 0 | 0 | 0 | 112.3 | M133 Y136 L143 E147 A148 H153 Q154 L155 I179 N184 L186 | M133-Y151 HydrophobicContact CE-CG 4.26Å; Y136-Y151 HydrophobicContact CE1-CE2 4.04Å; Y136-Y151 PolarHBondContact OH-OH 3.28Å; Y136-Y151 VanDerWaalsContact OH-OH 3.09Å; L143-Y151 HydrophobicContact CD1-CD2 4.24Å; L143-Y151 HydrophobicContact CD1-CE2 4.41Å; E147-Y151 HydrophobicContact CG-CD2 4.25Å; E147-Y151 HydrophobicContact CG-CE2 3.75Å; E147-Y151 VanDerWaalsContact O-CD2 3.25Å; E147-Y151 WeakPolarHBondContact O-CD2 3.35Å; E147-Y151 PolarHBondContact O-N 3.47Å; E147-Y151 VanDerWaalsContact O-N 3.08Å; A148-Y151 PolarHBondContact O-N 3.12Å; Y151-H153 VanDerWaalsContact C-N 3.34Å; Y151-H153 PolarHBondContact O-N 2.81Å; Y151-Q154 WeakPolarHBondContact O-CB 3.1Å; Y151-Q154 PolarHBondContact O-N 2.88Å; Y151-L155 PolarHBondContact O-N 3.46Å; Y151-I179 HydrophobicContact CE1-CD1 4.42Å; Y151-I179 HydrophobicContact CE1-CG2 3.82Å; Y151-I179 HydrophobicContact CE2-CD1 4.35Å; Y151-N184 HydrophobicContact CE1-CB 4.18Å; Y151-L186 HydrophobicContact CD1-CD2 3.51Å; Y151-L186 HydrophobicContact CD1-CG 4.06Å; Y151-L186 HydrophobicContact CE1-CD2 4.09Å; Y151-L186 HydrophobicContact CG-CD2 4.22Å; Y151-L186 WeakPolarHBondContact O-CD1 3.38Å |
| 152 | F | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.8 | -33 | 179.4 | -148.9 | -115.2 | 0 | 0 | 0 | 112.6 | A148 A149 T156 L232 L236 M239 L271 I289 M295 | A148-F152 VanDerWaalsContact O-CB 3.3Å; A148-F152 WeakPolarHBondContact O-CB 3.47Å; A148-F152 PolarHBondContact O-N 2.96Å; A149-F152 PolarHBondContact O-N 2.92Å; F152-T156 WeakPolarHBondContact O-CB 3.42Å; F152-T156 PolarHBondContact O-N 3.31Å; F152-T156 PolarHBondContact O-OG1 2.9Å; F152-L232 HydrophobicContact CE2-CB 4.16Å; F152-L232 HydrophobicContact CE2-CD2 3.89Å; F152-L232 WeakPolarHBondContact CE2-O 3.5Å; F152-L232 HydrophobicContact CZ-CB 3.92Å; F152-L232 HydrophobicContact CZ-CD2 4.25Å; F152-L236 HydrophobicContact CD2-CB 4.33Å; F152-L236 HydrophobicContact CD2-CD1 4.39Å; F152-L236 HydrophobicContact CE1-CD2 4.06Å; F152-L236 HydrophobicContact CE2-CB 3.74Å; F152-L236 HydrophobicContact CE2-CG 4.49Å; F152-L236 HydrophobicContact CZ-CB 3.93Å; F152-L236 HydrophobicContact CZ-CD2 4.06Å; F152-L236 HydrophobicContact CZ-CG 4.48Å; F152-M239 HydrophobicContact CD2-CE 4.47Å; F152-M239 HydrophobicContact CD2-SD 4.39Å; F152-L271 HydrophobicContact CE1-CD2 4.33Å; F152-I289 HydrophobicContact CD1-CG2 4.16Å; F152-I289 HydrophobicContact CE1-CG2 3.64Å; F152-M295 HydrophobicContact CB-CE 4.18Å; F152-M295 HydrophobicContact CB-SD 4.3Å; F152-M295 HydrophobicContact CD1-CE 3.87Å; F152-M295 HydrophobicContact CD1-SD 3.81Å |
| 153 | H | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 170.7 | -82.8 | 87.5 | 0 | 0 | 0 | 111.4 | A149 Y151 G157 M295 P300 I310 | A149-H153 PolarHBondContact O-N 3.09Å; A149-H153 PolarHBondContact O-ND1 2.91Å; Y151-H153 VanDerWaalsContact C-N 3.34Å; Y151-H153 PolarHBondContact O-N 2.81Å; H153-G157 PolarHBondContact O-N 2.72Å; H153-G157 VanDerWaalsContact O-N 3.1Å; H153-M295 HydrophobicContact CB-CE 4.28Å; H153-M295 PolarHBondContact CE1-O 3.05Å; H153-M295 VanDerWaalsContact CE1-O 3.27Å; H153-M295 VanDerWaalsContact ND1-CE 3.32Å; H153-M295 WeakPolarHBondContact ND1-CE 3.45Å; H153-P300 HydrophobicContact CB-CG 4.47Å; H153-I310 HydrophobicContact CB-CG1 4.37Å; H153-I310 HydrophobicContact CB-CG2 4.31Å |
| 154 | Q | 98.2 | Very high | 97.7 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.2 | -53.1 | 175.8 | -71.5 | -175.4 | 76.5 | 0 | 0 | 111.4 | F150 Y151 T156 G157 I158 N184 L186 P307 A309 I310 | F150-Q154 PolarHBondContact O-N 2.93Å; Y151-Q154 WeakPolarHBondContact O-CB 3.1Å; Y151-Q154 PolarHBondContact O-N 2.88Å; Q154-T156 VanDerWaalsContact C-N 3.26Å; Q154-T156 PolarHBondContact O-N 2.89Å; Q154-G157 PolarHBondContact O-N 2.69Å; Q154-I158 VanDerWaalsContact O-CG1 3.32Å; Q154-I158 WeakPolarHBondContact O-CG1 3.32Å; Q154-I158 PolarHBondContact O-N 2.84Å; Q154-N184 PolarHBondContact NE2-O 3.32Å; Q154-L186 HydrophobicContact CB-CB 4.32Å; Q154-L186 HydrophobicContact CB-CD1 3.8Å; Q154-L186 HydrophobicContact CB-CG 3.94Å; Q154-P307 HydrophobicContact CG-CB 4.19Å; Q154-P307 HydrophobicContact CG-CG 4.33Å; Q154-A309 HydrophobicContact CB-CB 4.09Å; Q154-A309 HydrophobicContact CG-CB 4.26Å; Q154-I310 HydrophobicContact CB-CG1 4.4Å; Q154-I310 HydrophobicContact CG-CD1 3.77Å; Q154-I310 HydrophobicContact CG-CG1 3.31Å |
| 155 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.1 | -40.1 | -178.6 | -175.6 | 60.8 | 0 | 0 | 0 | 111.8 | Y151 I158 L159 I172 I177 L186 L232 L235 | Y151-L155 PolarHBondContact O-N 3.46Å; L155-I158 PolarHBondContact O-N 2.82Å; L155-L159 HydrophobicContact CD1-CD1 4.39Å; L155-L159 HydrophobicContact CD1-CG 4.4Å; L155-L159 HydrophobicContact CG-CD1 4.18Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.39Å; L155-L159 PolarHBondContact O-N 2.59Å; L155-I172 HydrophobicContact CD2-CG2 4.26Å; L155-I177 HydrophobicContact CD1-CD1 3.9Å; L155-I177 HydrophobicContact CD1-CG1 4.36Å; L155-I177 HydrophobicContact CD2-CD1 3.73Å; L155-I177 HydrophobicContact CG-CD1 4.46Å; L155-L186 HydrophobicContact CB-CD1 4.02Å; L155-L232 HydrophobicContact CD2-CD2 3.42Å; L155-L232 VanDerWaalsContact CD2-CD2 3.42Å; L155-L232 HydrophobicContact CG-CD2 3.94Å; L155-L235 HydrophobicContact CD2-CD2 3.46Å; L155-L235 VanDerWaalsContact CD2-CD2 3.46Å |
| 156 | T | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 177 | -49.8 | 0 | 0 | 0 | 0 | 112 | F152 Q154 L159 L160 L286 L290 | F152-T156 WeakPolarHBondContact O-CB 3.42Å; F152-T156 PolarHBondContact O-N 3.31Å; F152-T156 PolarHBondContact O-OG1 2.9Å; Q154-T156 VanDerWaalsContact C-N 3.26Å; Q154-T156 PolarHBondContact O-N 2.89Å; T156-L159 PolarHBondContact O-N 2.97Å; T156-L160 HydrophobicContact CG2-CD1 4.32Å; T156-L160 WeakPolarHBondContact O-CB 3.4Å; T156-L160 VanDerWaalsContact O-CG 3.24Å; T156-L160 WeakPolarHBondContact O-CG 3.43Å; T156-L160 PolarHBondContact O-N 2.8Å; T156-L286 HydrophobicContact CG2-CB 3.82Å; T156-L286 HydrophobicContact CG2-CD2 4.26Å; T156-L286 HydrophobicContact CG2-CG 4.45Å; T156-L290 HydrophobicContact CG2-CD1 3.79Å; T156-L290 HydrophobicContact CG2-CD2 4.11Å; T156-L290 HydrophobicContact CG2-CG 3.74Å |
| 157 | G | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.5 | -35.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | H153 Q154 S161 A309 | H153-G157 PolarHBondContact O-N 2.72Å; H153-G157 VanDerWaalsContact O-N 3.1Å; Q154-G157 PolarHBondContact O-N 2.69Å; G157-S161 PolarHBondContact O-N 3.38Å; G157-S161 VanDerWaalsContact O-N 3.11Å; G157-S161 PolarHBondContact O-OG 2.71Å; G157-A309 WeakPolarHBondContact CA-O 3.16Å |
| 158 | I | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.3 | -50.6 | 171.7 | -69.1 | 163.6 | 0 | 0 | 0 | 109.9 | I106 Q154 L155 L160 S161 C162 L186 L188 A309 | I106-I158 HydrophobicContact CD1-CG2 3.38Å; I106-I158 HydrophobicContact CG1-CG2 4.36Å; Q154-I158 VanDerWaalsContact O-CG1 3.32Å; Q154-I158 WeakPolarHBondContact O-CG1 3.32Å; Q154-I158 PolarHBondContact O-N 2.84Å; L155-I158 PolarHBondContact O-N 2.82Å; I158-L160 PolarHBondContact O-N 2.87Å; I158-S161 WeakPolarHBondContact O-CA 3.47Å; I158-S161 VanDerWaalsContact O-CB 3.26Å; I158-S161 WeakPolarHBondContact O-CB 3.22Å; I158-S161 PolarHBondContact O-N 3.49Å; I158-C162 PolarHBondContact O-N 2.76Å; I158-L186 HydrophobicContact CD1-CB 3.86Å; I158-L188 HydrophobicContact CG2-CB 4.16Å; I158-L188 HydrophobicContact CG2-CD2 3.95Å; I158-A309 HydrophobicContact CD1-CB 4.33Å; I158-A309 HydrophobicContact CG1-CB 3.86Å |
| 159 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.2 | -37.6 | -179.5 | -67.1 | 173.9 | 0 | 0 | 0 | 112.9 | L155 T156 S161 C162 H163 I172 L188 E228 L232 L286 | L155-L159 HydrophobicContact CD1-CD1 4.39Å; L155-L159 HydrophobicContact CD1-CG 4.4Å; L155-L159 HydrophobicContact CG-CD1 4.18Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.39Å; L155-L159 PolarHBondContact O-N 2.59Å; T156-L159 PolarHBondContact O-N 2.97Å; L159-S161 PolarHBondContact O-N 2.74Å; L159-C162 PolarHBondContact O-N 2.92Å; L159-H163 PolarHBondContact O-CD2 3.29Å; L159-H163 PolarHBondContact O-N 2.67Å; L159-I172 HydrophobicContact CD2-CD1 3.81Å; L159-I172 HydrophobicContact CD2-CG1 4.25Å; L159-L188 HydrophobicContact CD2-CD2 4.33Å; L159-E228 HydrophobicContact CD1-CG 4.12Å; L159-L232 HydrophobicContact CD1-CD1 3.82Å; L159-L232 HydrophobicContact CD1-CD2 3.85Å; L159-L232 HydrophobicContact CD1-CG 4.11Å; L159-L286 HydrophobicContact CB-CD1 3.78Å |
| 160 | L | 98.2 | Very high | 98 | Very high | 42 Ų | 42 | 14 Ų | 14 | 22% | 0.22 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.8 | -35.4 | 169.8 | -76.3 | 167 | 0 | 0 | 0 | 112.1 | T156 I158 K164 L286 L290 A316 | T156-L160 HydrophobicContact CG2-CD1 4.32Å; T156-L160 WeakPolarHBondContact O-CB 3.4Å; T156-L160 VanDerWaalsContact O-CG 3.24Å; T156-L160 WeakPolarHBondContact O-CG 3.43Å; T156-L160 PolarHBondContact O-N 2.8Å; I158-L160 PolarHBondContact O-N 2.87Å; L160-K164 PolarHBondContact O-N 2.89Å; L160-K164 VanDerWaalsContact O-N 3.11Å; L160-L286 HydrophobicContact CD2-CB 3.94Å; L160-L286 HydrophobicContact CD2-CD1 4.07Å; L160-L286 HydrophobicContact CG-CB 4.17Å; L160-L286 HydrophobicContact CG-CD1 4.01Å; L160-L290 HydrophobicContact CD1-CD1 3.82Å; L160-A316 HydrophobicContact CD1-CB 3.81Å |
| 161 | S | 98.2 | Very high | 98.1 | Very high | 7 Ų | 7 | 12 Ų | 12 | 5% | 0.049 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -69.8 | -46.6 | 175.7 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | G157 I158 L159 H163 K164 V165 I312 | G157-S161 PolarHBondContact O-N 3.38Å; G157-S161 VanDerWaalsContact O-N 3.11Å; G157-S161 PolarHBondContact O-OG 2.71Å; I158-S161 WeakPolarHBondContact O-CA 3.47Å; I158-S161 VanDerWaalsContact O-CB 3.26Å; I158-S161 WeakPolarHBondContact O-CB 3.22Å; I158-S161 PolarHBondContact O-N 3.49Å; L159-S161 PolarHBondContact O-N 2.74Å; S161-H163 VanDerWaalsContact C-N 3.33Å; S161-H163 PolarHBondContact O-N 3.18Å; S161-K164 PolarHBondContact O-N 2.79Å; S161-K164 VanDerWaalsContact O-N 3.17Å; S161-V165 PolarHBondContact O-N 2.77Å; S161-I312 WeakPolarHBondContact OG-CD1 3.3Å |
| 162 | C | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.007 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -56.1 | -45.4 | 172.4 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | I158 L159 K164 V165 G166 V167 | I158-C162 PolarHBondContact O-N 2.76Å; L159-C162 PolarHBondContact O-N 2.92Å; C162-K164 VanDerWaalsContact C-N 3.29Å; C162-K164 PolarHBondContact O-N 3.21Å; C162-V165 WeakPolarHBondContact O-CG2 3.38Å; C162-V165 PolarHBondContact O-N 2.83Å; C162-G166 PolarHBondContact O-N 3.21Å; C162-G166 VanDerWaalsContact O-N 3.14Å; C162-V167 CarbonylContact C-O 3.6Å; C162-V167 HydrophobicContact CB-CB 4.43Å; C162-V167 PolarHBondContact O-N 3.03Å |
| 163 | H | 98.1 | Very high | 98.1 | Very high | 20 Ų | 20 | 12.2 Ų | 12.2 | 9% | 0.093 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.8 | -34.9 | 179.1 | -75.2 | -159.5 | 0 | 0 | 0 | 112 | L159 S161 G166 L197 K225 E228 | L159-H163 PolarHBondContact O-CD2 3.29Å; L159-H163 PolarHBondContact O-N 2.67Å; S161-H163 VanDerWaalsContact C-N 3.33Å; S161-H163 PolarHBondContact O-N 3.18Å; H163-G166 PolarHBondContact O-N 3.48Å; H163-L197 HydrophobicContact CB-CD2 3.75Å; H163-K225 VanDerWaalsContact ND1-CE 3.28Å; H163-K225 WeakPolarHBondContact ND1-CE 3.27Å; H163-K225 PolarHBondContact ND1-NZ 3.38Å; H163-E228 IonicContact CD2-OE2 3.52Å; H163-E228 IonicContact CE1-OE1 3.53Å; H163-E228 PolarHBondContact CE1-OE1 2.92Å; H163-E228 IonicContact CE1-OE2 2.71Å; H163-E228 IonicContact NE2-OE1 2.72Å; H163-E228 PolarHBondContact NE2-OE1 3.32Å; H163-E228 IonicContact NE2-OE2 3.95Å; H163-E228 PolarHBondContact NE2-OE2 3.23Å |
| 164 | K | 96.9 | Very high | 98 | Very high | 109 Ų | 109 | 12.7 Ų | 12.7 | 47% | 0.474 | 7% | 0.067 | S | C | . | . | H | α-helix | trans | -67.2 | -34.8 | 177.8 | -178.1 | 177.3 | 169.6 | -168 | 0 | 112.5 | L160 S161 C162 G166 L335 | L160-K164 PolarHBondContact O-N 2.89Å; L160-K164 VanDerWaalsContact O-N 3.11Å; S161-K164 PolarHBondContact O-N 2.79Å; S161-K164 VanDerWaalsContact O-N 3.17Å; C162-K164 VanDerWaalsContact C-N 3.29Å; C162-K164 PolarHBondContact O-N 3.21Å; K164-G166 VanDerWaalsContact C-N 3.29Å; K164-L335 HydrophobicContact CD-CD1 3.86Å |
| 165 | V | 96.9 | Very high | 97.9 | Very high | 20 Ų | 20 | 14.1 Ų | 14.1 | 12% | 0.121 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -84.4 | -0.8 | 173.2 | -60.9 | 0 | 0 | 0 | 0 | 113.3 | M99 L103 S161 C162 V167 L332 | M99-V165 WeakPolarHBondContact CE-O 3.31Å; L103-V165 HydrophobicContact CD1-CG1 4.01Å; L103-V165 HydrophobicContact CD1-CG2 3.79Å; L103-V165 HydrophobicContact CD2-CG1 4.34Å; S161-V165 PolarHBondContact O-N 2.77Å; C162-V165 WeakPolarHBondContact O-CG2 3.38Å; C162-V165 PolarHBondContact O-N 2.83Å; V165-V167 HydrophobicContact CG2-CB 4.26Å; V165-V167 HydrophobicContact CG2-CG2 3.93Å; V165-L332 HydrophobicContact CB-CD2 4.47Å; V165-L332 HydrophobicContact CG1-CD2 3.86Å |
| 166 | G | 97.4 | Very high | 97.8 | Very high | 23 Ų | 23 | 14.7 Ų | 14.7 | 24% | 0.237 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 30.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | C162 H163 K164 F196 L197 | C162-G166 PolarHBondContact O-N 3.21Å; C162-G166 VanDerWaalsContact O-N 3.14Å; H163-G166 PolarHBondContact O-N 3.48Å; K164-G166 VanDerWaalsContact C-N 3.29Å; G166-F196 CarbonylContact O-C 3.53Å; G166-F196 WeakPolarHBondContact O-CA 3.32Å; G166-L197 PolarHBondContact O-N 2.91Å |
| 167 | V | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 143.2 | 177.8 | 178 | 0 | 0 | 0 | 0 | 111.2 | L96 M99 C162 V165 F191 | L96-V167 HydrophobicContact CB-CG1 4.17Å; L96-V167 HydrophobicContact CD2-CG1 4.08Å; L96-V167 HydrophobicContact CD2-CG2 3.93Å; L96-V167 HydrophobicContact CG-CG1 4.46Å; M99-V167 HydrophobicContact CB-CG2 3.67Å; M99-V167 HydrophobicContact CE-CG2 3.72Å; M99-V167 HydrophobicContact CG-CG2 4.4Å; M99-V167 HydrophobicContact SD-CG2 3.94Å; C162-V167 CarbonylContact C-O 3.6Å; C162-V167 HydrophobicContact CB-CB 4.43Å; C162-V167 PolarHBondContact O-N 3.03Å; V165-V167 HydrophobicContact CG2-CB 4.26Å; V165-V167 HydrophobicContact CG2-CG2 3.93Å; V167-F191 HydrophobicContact CG1-CD1 3.85Å; V167-F191 HydrophobicContact CG1-CE1 3.62Å |
| 168 | L | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 125.1 | 175.4 | -178.8 | 74.2 | 0 | 0 | 0 | 109.3 | R170 G194 A195 L197 Y202 G224 E228 | L168-R170 HydrophobicContact CB-CG 4.43Å; L168-R170 HydrophobicContact CD2-CG 3.66Å; L168-R170 HydrophobicContact CG-CG 3.72Å; L168-G194 WeakPolarHBondContact O-CA 3.35Å; L168-A195 PolarHBondContact N-O 3.1Å; L168-A195 PolarHBondContact O-N 3.5Å; L168-L197 HydrophobicContact CB-CB 4.23Å; L168-L197 HydrophobicContact CB-CD1 4.3Å; L168-L197 HydrophobicContact CD1-CD1 4.23Å; L168-Y202 HydrophobicContact CD2-CE1 4.39Å; L168-Y202 HydrophobicContact CD2-CE2 3.94Å; L168-G224 VanDerWaalsContact CD2-CA 3.49Å; L168-E228 HydrophobicContact CD1-CB 4.3Å; L168-E228 WeakPolarHBondContact CD1-OE2 3.38Å |
| 169 | H | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -74.3 | -39.2 | -171.8 | -158.4 | -95.2 | 0 | 0 | 0 | 114.2 | D171 I172 I189 D190 F191 G194 | H169-D171 PolarHBondContact CE1-O 2.88Å; H169-D171 PolarHBondContact ND1-O 3.25Å; H169-D171 PolarHBondContact O-N 2.97Å; H169-I172 HydrophobicContact CB-CD1 3.58Å; H169-I172 HydrophobicContact CB-CG1 3.99Å; H169-I189 PolarHBondContact CE1-O 3.15Å; H169-I189 PolarHBondContact NE2-O 3Å; H169-D190 PolarHBondContact CE1-O 3.14Å; H169-D190 PolarHBondContact NE2-O 2.63Å; H169-F191 AromaticContact CD2-CD1 3.8Å; H169-F191 AromaticContact CD2-CD2 3.84Å; H169-F191 AromaticContact CD2-CE1 3.64Å; H169-F191 AromaticContact CD2-CE2 3.68Å; H169-F191 AromaticContact CD2-CG 3.91Å; H169-F191 AromaticContact CD2-CZ 3.59Å; H169-F191 AromaticContact NE2-CD2 3.61Å; H169-F191 AromaticContact NE2-CE2 3.68Å; H169-F191 AromaticContact NE2-CG 3.96Å; H169-G194 WeakPolarHBondContact O-CA 3.4Å | ||
| 170 | R | 97.9 | Very high | 97.2 | Very high | 11 Ų | 11 | 17.2 Ų | 17.2 | 4% | 0.042 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 61 | -17 | 179.7 | -49.2 | -165.5 | -57.4 | 158.2 | 2.7 | 117.9 | R17 L168 S193 G194 D204 F205 D206 Y222 | R17-R170 VanDerWaalsContact NH2-NH2 3.12Å; L168-R170 HydrophobicContact CB-CG 4.43Å; L168-R170 HydrophobicContact CD2-CG 3.66Å; L168-R170 HydrophobicContact CG-CG 3.72Å; R170-S193 PolarHBondContact NE-O 2.74Å; R170-S193 PolarHBondContact NH2-O 3.47Å; R170-G194 PolarHBondContact NH2-O 3.03Å; R170-D204 IonicContact CZ-OD2 2.6Å; R170-D204 PolarHBondContact NH1-O 2.97Å; R170-D204 IonicContact NH1-OD2 3.58Å; R170-D204 PolarHBondContact NH1-OD2 3.35Å; R170-D204 IonicContact NH2-OD2 3.54Å; R170-F205 WeakPolarHBondContact O-CE2 3.39Å; R170-D206 IonicContact CZ-OD2 3.61Å; R170-D206 IonicContact NH1-OD2 2.81Å; R170-D206 IonicContact NH2-OD2 3.57Å; R170-D206 PolarHBondContact NH2-OD2 3.31Å; R170-Y222 WeakPolarHBondContact CD-OH 3.43Å; R170-Y222 PolarHBondContact NH1-OH 3.19Å |
| 171 | D | 97.7 | Very high | 96.9 | Very high | 10 Ų | 10 | 19.3 Ų | 19.3 | 5% | 0.053 | 10% | 0.095 | C | C | . | . | trans | -121 | 69.7 | 169.9 | -163.2 | 38.3 | 0 | 0 | 0 | 110.4 | H169 K173 N176 T208 | H169-D171 PolarHBondContact CE1-O 2.88Å; H169-D171 PolarHBondContact ND1-O 3.25Å; H169-D171 PolarHBondContact O-N 2.97Å; D171-K173 VanDerWaalsContact OD2-CE 3.22Å; D171-K173 WeakPolarHBondContact OD2-CE 3.14Å; D171-K173 IonicContact OD2-NZ 3.11Å; D171-N176 PolarHBondContact O-ND2 3.11Å; D171-N176 PolarHBondContact OD2-ND2 2.87Å; D171-T208 WeakPolarHBondContact OD1-CB 3.28Å; D171-T208 PolarHBondContact OD1-N 3.03Å; D171-T208 PolarHBondContact OD1-OG1 3.2Å; D171-T208 PolarHBondContact OD2-OG1 3.41Å | ||
| 172 | I | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | trans | -90.3 | 116 | 175.8 | -65.3 | -61.9 | 0 | 0 | 0 | 109.2 | L155 L159 H169 L188 Y211 E228 L232 L235 | L155-I172 HydrophobicContact CD2-CG2 4.26Å; L159-I172 HydrophobicContact CD2-CD1 3.81Å; L159-I172 HydrophobicContact CD2-CG1 4.25Å; H169-I172 HydrophobicContact CB-CD1 3.58Å; H169-I172 HydrophobicContact CB-CG1 3.99Å; I172-L188 HydrophobicContact CD1-CD1 3.68Å; I172-L188 HydrophobicContact CD1-CD2 4.02Å; I172-Y211 VanDerWaalsContact O-CD1 3.24Å; I172-Y211 WeakPolarHBondContact O-CD1 3.29Å; I172-E228 HydrophobicContact CG1-CG 4.45Å; I172-L232 HydrophobicContact CG2-CD2 4.13Å; I172-L235 HydrophobicContact CG2-CD2 4.18Å | ||
| 173 | K | 97.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -160.1 | 163.2 | -178.7 | 57.7 | 177.6 | -178.3 | 172.6 | 0 | 110.4 | D171 E175 N176 I177 T208 Y211 S505 | D171-K173 VanDerWaalsContact OD2-CE 3.22Å; D171-K173 WeakPolarHBondContact OD2-CE 3.14Å; D171-K173 IonicContact OD2-NZ 3.11Å; K173-E175 VanDerWaalsContact C-N 3.33Å; K173-E175 HydrophobicContact CD-CB 4.04Å; K173-E175 HydrophobicContact CD-CG 4.4Å; K173-E175 WeakPolarHBondContact CD-OE1 3.16Å; K173-E175 WeakPolarHBondContact CE-OE1 3.38Å; K173-E175 HydrophobicContact CG-CB 4.27Å; K173-E175 IonicContact NZ-OE1 2.75Å; K173-E175 PolarHBondContact NZ-OE1 3.48Å; K173-E175 PolarHBondContact O-N 3.33Å; K173-N176 VanDerWaalsContact CE-ND2 3.32Å; K173-N176 WeakPolarHBondContact CE-ND2 3.43Å; K173-N176 WeakPolarHBondContact CE-OD1 3.45Å; K173-N176 HydrophobicContact CG-CB 3.96Å; K173-N176 PolarHBondContact O-N 2.81Å; K173-N176 VanDerWaalsContact O-N 3.14Å; K173-I177 WeakPolarHBondContact O-CD1 3.32Å; K173-I177 WeakPolarHBondContact O-CG1 3.38Å; K173-T208 HydrophobicContact CD-CG2 4.39Å; K173-T208 WeakPolarHBondContact CD-OG1 3.43Å; K173-T208 WeakPolarHBondContact CE-OG1 3.33Å; K173-T208 PolarHBondContact NZ-OG1 3.49Å; K173-Y211 HydrophobicContact CB-CD1 4.17Å; K173-Y211 HydrophobicContact CB-CD2 3.73Å; K173-Y211 HydrophobicContact CB-CE1 3.87Å; K173-Y211 HydrophobicContact CB-CE2 3.37Å; K173-Y211 HydrophobicContact CB-CG 4.11Å; K173-Y211 VanDerWaalsContact CB-CZ 3.45Å; K173-Y211 HydrophobicContact CD-CD2 4.46Å; K173-Y211 HydrophobicContact CD-CE2 4.4Å; K173-S505 PolarHBondContact NZ-OG 3.1Å |
| 174 | D | 96.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 28.5 Ų | 28.5 | 5% | 0.053 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -51.6 | -45.2 | 173.6 | 55.4 | -38.8 | 0 | 0 | 0 | 113.3 | M133 F134 N176 I177 Y211 L235 | M133-D174 HydrophobicContact CB-CB 4.07Å; M133-D174 WeakPolarHBondContact CB-O 3.14Å; M133-D174 HydrophobicContact CG-CB 4.04Å; M133-D174 PolarHBondContact N-O 2.84Å; F134-D174 HydrophobicContact CB-CB 4.42Å; F134-D174 VanDerWaalsContact CB-OD2 3.31Å; F134-D174 WeakPolarHBondContact CB-OD2 3.24Å; F134-D174 VanDerWaalsContact CD2-OD2 3.31Å; F134-D174 WeakPolarHBondContact CD2-OD2 3.3Å; D174-N176 PolarHBondContact O-N 3.06Å; D174-N176 VanDerWaalsContact O-N 3.14Å; D174-I177 PolarHBondContact O-N 3.34Å; D174-I177 VanDerWaalsContact O-N 3.1Å; D174-Y211 PolarHBondContact OD1-OH 3.34Å; D174-L235 HydrophobicContact CB-CD1 3.83Å |
| 175 | E | 94.7 | Very high | 96 | Very high | 33 Ų | 33 | 27.2 Ų | 27.2 | 15% | 0.154 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -62.6 | -21.6 | 179.5 | -53.7 | 175.6 | -49.5 | 0 | 0 | 113.6 | F134 K173 S505 | F134-E175 HydrophobicContact CB-CG 3.96Å; F134-E175 HydrophobicContact CD2-CG 4.22Å; F134-E175 HydrophobicContact CG-CG 4.26Å; K173-E175 VanDerWaalsContact C-N 3.33Å; K173-E175 HydrophobicContact CD-CB 4.04Å; K173-E175 HydrophobicContact CD-CG 4.4Å; K173-E175 WeakPolarHBondContact CD-OE1 3.16Å; K173-E175 WeakPolarHBondContact CE-OE1 3.38Å; K173-E175 HydrophobicContact CG-CB 4.27Å; K173-E175 IonicContact NZ-OE1 2.75Å; K173-E175 PolarHBondContact NZ-OE1 3.48Å; K173-E175 PolarHBondContact O-N 3.33Å; E175-S505 WeakPolarHBondContact OE1-CB 3.4Å; E175-S505 PolarHBondContact OE1-OG 3.23Å; E175-S505 WeakPolarHBondContact OE2-CB 3.44Å; E175-S505 PolarHBondContact OE2-OG 3.1Å |
| 176 | N | 96.5 | Very high | 96 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 7% | 0.07 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -102.6 | 8.4 | -179.7 | -68.6 | -3 | 0 | 0 | 0 | 112.6 | D171 K173 D174 I189 | D171-N176 PolarHBondContact O-ND2 3.11Å; D171-N176 PolarHBondContact OD2-ND2 2.87Å; K173-N176 VanDerWaalsContact CE-ND2 3.32Å; K173-N176 WeakPolarHBondContact CE-ND2 3.43Å; K173-N176 WeakPolarHBondContact CE-OD1 3.45Å; K173-N176 HydrophobicContact CG-CB 3.96Å; K173-N176 PolarHBondContact O-N 2.81Å; K173-N176 VanDerWaalsContact O-N 3.14Å; D174-N176 PolarHBondContact O-N 3.06Å; D174-N176 VanDerWaalsContact O-N 3.14Å; N176-I189 VanDerWaalsContact O-CG1 3.24Å; N176-I189 WeakPolarHBondContact O-CG1 3.42Å; N176-I189 PolarHBondContact O-N 3.39Å |
| 177 | I | 97.5 | Very high | 96 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111 | -178.2 | -65.5 | 164.4 | 0 | 0 | 0 | 109 | D132 M133 L155 K173 D174 L186 L188 L235 | D132-I177 CarbonylContact C-O 3.52Å; D132-I177 WeakPolarHBondContact CA-O 3.19Å; M133-I177 HydrophobicContact CB-CB 4.28Å; M133-I177 HydrophobicContact CB-CG2 4.41Å; M133-I177 WeakPolarHBondContact CB-O 3.41Å; M133-I177 HydrophobicContact CE-CG2 3.69Å; M133-I177 PolarHBondContact N-O 3.28Å; M133-I177 HydrophobicContact SD-CG2 4.37Å; L155-I177 HydrophobicContact CD1-CD1 3.9Å; L155-I177 HydrophobicContact CD1-CG1 4.36Å; L155-I177 HydrophobicContact CD2-CD1 3.73Å; L155-I177 HydrophobicContact CG-CD1 4.46Å; K173-I177 WeakPolarHBondContact O-CD1 3.32Å; K173-I177 WeakPolarHBondContact O-CG1 3.38Å; D174-I177 PolarHBondContact O-N 3.34Å; D174-I177 VanDerWaalsContact O-N 3.1Å; I177-L186 HydrophobicContact CG2-CB 4.44Å; I177-L186 HydrophobicContact CG2-CD1 4.01Å; I177-L186 HydrophobicContact CG2-CD2 3.8Å; I177-L186 HydrophobicContact CG2-CG 4.31Å; I177-L188 HydrophobicContact CG1-CD1 3.95Å; I177-L235 HydrophobicContact CD1-CD2 3.5Å; I177-L235 VanDerWaalsContact CD1-CD2 3.5Å |
| 178 | L | 95.9 | Very high | 95.9 | Very high | 30 Ų | 30 | 26.5 Ų | 26.5 | 16% | 0.157 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 141.9 | 174.6 | -58.8 | -178 | 0 | 0 | 0 | 111.3 | V126 T130 C131 D132 L186 V187 I189 | V126-L178 HydrophobicContact CB-CD1 4.41Å; V126-L178 HydrophobicContact CG2-CD1 3.72Å; T130-L178 HydrophobicContact CG2-CB 3.69Å; T130-L178 HydrophobicContact CG2-CD1 4.3Å; T130-L178 HydrophobicContact CG2-CD2 4.5Å; T130-L178 HydrophobicContact CG2-CG 4.39Å; C131-L178 CarbonylContact O-C 3.53Å; C131-L178 VanDerWaalsContact O-CA 3.31Å; C131-L178 WeakPolarHBondContact O-CA 3.2Å; D132-L178 HydrophobicContact CB-CD2 3.93Å; L178-L186 CarbonylContact O-C 3.46Å; L178-L186 VanDerWaalsContact O-CA 3.29Å; L178-L186 WeakPolarHBondContact O-CA 3.34Å; L178-V187 HydrophobicContact CB-CB 4.23Å; L178-V187 WeakPolarHBondContact CB-O 3.33Å; L178-V187 PolarHBondContact N-O 2.8Å; L178-V187 PolarHBondContact O-N 2.59Å; L178-I189 HydrophobicContact CD1-CD1 4.3Å; L178-I189 HydrophobicContact CD1-CG2 3.68Å; L178-I189 HydrophobicContact CD2-CD1 4.02Å; L178-I189 HydrophobicContact CG-CD1 4.03Å; L178-I189 HydrophobicContact CG-CG1 4.32Å; L178-I189 HydrophobicContact CG-CG2 3.97Å |
| 179 | I | 95.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 115.5 | 177 | -54 | 179.8 | 0 | 0 | 0 | 109.1 | T130 C131 M133 Y136 Y151 R181 L186 | T130-I179 WeakPolarHBondContact CA-O 3.5Å; C131-I179 PolarHBondContact N-O 2.88Å; C131-I179 PolarHBondContact O-N 2.81Å; M133-I179 HydrophobicContact CB-CD1 3.89Å; M133-I179 HydrophobicContact CB-CG1 4.24Å; M133-I179 HydrophobicContact CE-CD1 3.69Å; M133-I179 HydrophobicContact CE-CG1 4.08Å; M133-I179 HydrophobicContact CG-CD1 3.98Å; Y136-I179 HydrophobicContact CD1-CD1 3.86Å; Y136-I179 HydrophobicContact CD2-CD1 4.05Å; Y136-I179 HydrophobicContact CD2-CG2 4.37Å; Y136-I179 HydrophobicContact CE1-CD1 4.44Å; Y136-I179 HydrophobicContact CE2-CG2 4.32Å; Y136-I179 HydrophobicContact CG-CD1 3.63Å; Y151-I179 HydrophobicContact CE1-CD1 4.42Å; Y151-I179 HydrophobicContact CE1-CG2 3.82Å; Y151-I179 HydrophobicContact CE2-CD1 4.35Å; I179-R181 PolarHBondContact O-N 3.06Å; I179-L186 HydrophobicContact CB-CD2 4.5Å; I179-L186 HydrophobicContact CG1-CD2 3.73Å |
| 180 | N | 93.9 | Very high | 95.6 | Very high | 23 Ų | 23 | 29.9 Ų | 29.9 | 12% | 0.123 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 106.6 | 168.2 | 178.7 | -22.9 | 0 | 0 | 0 | 109.4 | T129 T182 T183 N184 E185 | T129-N180 PolarHBondContact OG1-OD1 2.79Å; N180-T182 PolarHBondContact O-N 2.88Å; N180-T182 WeakPolarHBondContact OD1-CB 3.34Å; N180-T182 PolarHBondContact OD1-N 2.9Å; N180-T183 WeakPolarHBondContact CB-OG1 3.49Å; N180-T183 VanDerWaalsContact CG-OG1 3.22Å; N180-T183 PolarHBondContact ND2-OG1 3.19Å; N180-T183 PolarHBondContact O-N 3.24Å; N180-T183 PolarHBondContact OD1-N 3.44Å; N180-N184 WeakPolarHBondContact O-CA 3.32Å; N180-N184 PolarHBondContact O-N 2.97Å; N180-E185 PolarHBondContact N-O 2.9Å |
| 181 | R | 91.3 | Very high | 95.5 | Very high | 85 Ų | 85 | 29.4 Ų | 29.4 | 32% | 0.321 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -4 | -175.9 | -57.4 | 178.2 | -180 | -159.3 | -0 | 114.3 | T129 C131 Y136 E139 I179 | T129-R181 WeakPolarHBondContact O-CB 3.49Å; T129-R181 VanDerWaalsContact O-CG 3.28Å; T129-R181 WeakPolarHBondContact O-CG 3.29Å; T129-R181 PolarHBondContact O-N 3.31Å; C131-R181 VanDerWaalsContact SG-CZ 3.57Å; C131-R181 PolarHBondContact SG-NE 3.47Å; C131-R181 PolarHBondContact SG-NH2 3.19Å; Y136-R181 HydrophobicContact CD2-CG 4.41Å; Y136-R181 HydrophobicContact CE2-CG 4.34Å; E139-R181 VanDerWaalsContact CD-NH1 3.28Å; E139-R181 VanDerWaalsContact CD-NH2 3.3Å; E139-R181 IonicContact OE1-CZ 3.18Å; E139-R181 IonicContact OE1-NH1 2.76Å; E139-R181 PolarHBondContact OE1-NH1 3.46Å; E139-R181 VanDerWaalsContact OE1-NH1 3.1Å; E139-R181 IonicContact OE1-NH2 3.96Å; E139-R181 PolarHBondContact OE1-NH2 3.13Å; E139-R181 IonicContact OE2-CZ 3.08Å; E139-R181 IonicContact OE2-NH1 3.72Å; E139-R181 PolarHBondContact OE2-NH1 3.16Å; E139-R181 IonicContact OE2-NH2 2.71Å; I179-R181 PolarHBondContact O-N 3.06Å |
| 182 | T | 91.5 | Very high | 95.4 | Very high | 98 Ų | 98 | 29.2 Ų | 29.2 | 60% | 0.601 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -40.2 | 176.7 | -50.4 | 0 | 0 | 0 | 0 | 112.6 | T129 N180 | T129-T182 WeakPolarHBondContact CB-OG1 3.19Å; T129-T182 WeakPolarHBondContact CG2-OG1 3.37Å; T129-T182 PolarHBondContact OG1-OG1 3.33Å; N180-T182 PolarHBondContact O-N 2.88Å; N180-T182 WeakPolarHBondContact OD1-CB 3.34Å; N180-T182 PolarHBondContact OD1-N 2.9Å |
| 183 | T | 92 | Very high | 95.2 | Very high | 61 Ų | 61 | 29.2 Ų | 29.2 | 37% | 0.374 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -13.4 | -179.7 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | N180 E185 | N180-T183 WeakPolarHBondContact CB-OG1 3.49Å; N180-T183 VanDerWaalsContact CG-OG1 3.22Å; N180-T183 PolarHBondContact ND2-OG1 3.19Å; N180-T183 PolarHBondContact O-N 3.24Å; N180-T183 PolarHBondContact OD1-N 3.44Å; T183-E185 WeakPolarHBondContact CB-OE2 3.29Å; T183-E185 WeakPolarHBondContact CG2-OE2 3.14Å; T183-E185 PolarHBondContact O-N 2.93Å; T183-E185 WeakPolarHBondContact OG1-CB 3.41Å; T183-E185 VanDerWaalsContact OG1-CG 3.32Å; T183-E185 WeakPolarHBondContact OG1-CG 3.43Å; T183-E185 PolarHBondContact OG1-N 3.18Å; T183-E185 PolarHBondContact OG1-OE2 2.94Å |
| 184 | N | 93.3 | Very high | 95.2 | Very high | 62 Ų | 62 | 28.9 Ų | 28.9 | 33% | 0.332 | 15% | 0.152 | S | C | . | . | trans | 57.4 | 22.6 | -167.4 | -50.8 | -59.5 | 0 | 0 | 0 | 113.4 | F150 Y151 Q154 N180 | F150-N184 HydrophobicContact CE1-CB 3.77Å; Y151-N184 HydrophobicContact CE1-CB 4.18Å; Q154-N184 PolarHBondContact NE2-O 3.32Å; N180-N184 WeakPolarHBondContact O-CA 3.32Å; N180-N184 PolarHBondContact O-N 2.97Å | ||
| 185 | E | 95.3 | Very high | 95.2 | Very high | 82 Ų | 82 | 28.9 Ų | 28.9 | 38% | 0.383 | 15% | 0.154 | S | C | . | . | trans | -77.9 | 138.3 | 176.1 | -69.2 | 168.9 | 131.3 | 0 | 0 | 111.3 | N180 T183 P307 | N180-E185 PolarHBondContact N-O 2.9Å; T183-E185 WeakPolarHBondContact CB-OE2 3.29Å; T183-E185 WeakPolarHBondContact CG2-OE2 3.14Å; T183-E185 PolarHBondContact O-N 2.93Å; T183-E185 WeakPolarHBondContact OG1-CB 3.41Å; T183-E185 VanDerWaalsContact OG1-CG 3.32Å; T183-E185 WeakPolarHBondContact OG1-CG 3.43Å; T183-E185 PolarHBondContact OG1-N 3.18Å; T183-E185 PolarHBondContact OG1-OE2 2.94Å; E185-P307 HydrophobicContact CG-CB 3.96Å; E185-P307 HydrophobicContact CG-CG 3.78Å | ||
| 186 | L | 97.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 144.3 | 172.2 | -63.6 | -168.1 | 0 | 0 | 0 | 112.1 | G105 M133 Y151 Q154 L155 I158 I177 L178 I179 | G105-L186 WeakPolarHBondContact CA-O 3.32Å; M133-L186 HydrophobicContact CE-CD2 3.92Å; Y151-L186 HydrophobicContact CD1-CD2 3.51Å; Y151-L186 HydrophobicContact CD1-CG 4.06Å; Y151-L186 HydrophobicContact CE1-CD2 4.09Å; Y151-L186 HydrophobicContact CG-CD2 4.22Å; Y151-L186 WeakPolarHBondContact O-CD1 3.38Å; Q154-L186 HydrophobicContact CB-CB 4.32Å; Q154-L186 HydrophobicContact CB-CD1 3.8Å; Q154-L186 HydrophobicContact CB-CG 3.94Å; L155-L186 HydrophobicContact CB-CD1 4.02Å; I158-L186 HydrophobicContact CD1-CB 3.86Å; I177-L186 HydrophobicContact CG2-CB 4.44Å; I177-L186 HydrophobicContact CG2-CD1 4.01Å; I177-L186 HydrophobicContact CG2-CD2 3.8Å; I177-L186 HydrophobicContact CG2-CG 4.31Å; L178-L186 CarbonylContact O-C 3.46Å; L178-L186 VanDerWaalsContact O-CA 3.29Å; L178-L186 WeakPolarHBondContact O-CA 3.34Å; I179-L186 HydrophobicContact CB-CD2 4.5Å; I179-L186 HydrophobicContact CG1-CD2 3.73Å |
| 187 | V | 96.8 | Very high | 95.4 | Very high | 24 Ų | 24 | 29 Ų | 29 | 15% | 0.145 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 117.3 | 165.3 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | G105 V107 V126 L178 I189 | G105-V187 CarbonylContact O-C 3.5Å; G105-V187 WeakPolarHBondContact O-CA 3.38Å; V107-V187 HydrophobicContact CB-CG1 4Å; V126-V187 HydrophobicContact CG1-CG2 4.19Å; V126-V187 HydrophobicContact CG2-CG1 4.46Å; L178-V187 HydrophobicContact CB-CB 4.23Å; L178-V187 WeakPolarHBondContact CB-O 3.33Å; L178-V187 PolarHBondContact N-O 2.8Å; L178-V187 PolarHBondContact O-N 2.59Å; V187-I189 HydrophobicContact CG1-CG2 4.45Å |
| 188 | L | 97.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 134.4 | 176.4 | -177.1 | 66.4 | 0 | 0 | 0 | 110.5 | G105 I106 V107 I158 L159 I172 I177 F191 | G105-L188 PolarHBondContact O-N 3.31Å; I106-L188 HydrophobicContact CD1-CB 3.88Å; I106-L188 HydrophobicContact CD1-CD2 3.94Å; I106-L188 HydrophobicContact CD1-CG 4.39Å; V107-L188 PolarHBondContact N-O 2.81Å; I158-L188 HydrophobicContact CG2-CB 4.16Å; I158-L188 HydrophobicContact CG2-CD2 3.95Å; L159-L188 HydrophobicContact CD2-CD2 4.33Å; I172-L188 HydrophobicContact CD1-CD1 3.68Å; I172-L188 HydrophobicContact CD1-CD2 4.02Å; I177-L188 HydrophobicContact CG1-CD1 3.95Å; L188-F191 HydrophobicContact CD2-CZ 4.28Å; L188-F191 HydrophobicContact CG-CE2 4.48Å |
| 189 | I | 95.4 | Very high | 95.2 | Very high | 36 Ų | 36 | 35.6 Ų | 35.6 | 19% | 0.185 | 20% | 0.198 | C | C | . | . | trans | -131.2 | 166.5 | -175.9 | 63.2 | 163.1 | 0 | 0 | 0 | 112.6 | V107 H169 N176 L178 V187 | V107-I189 HydrophobicContact CB-CG2 4.02Å; V107-I189 HydrophobicContact CG1-CB 4.4Å; V107-I189 HydrophobicContact CG1-CG2 3.94Å; H169-I189 PolarHBondContact CE1-O 3.15Å; H169-I189 PolarHBondContact NE2-O 3Å; N176-I189 VanDerWaalsContact O-CG1 3.24Å; N176-I189 WeakPolarHBondContact O-CG1 3.42Å; N176-I189 PolarHBondContact O-N 3.39Å; L178-I189 HydrophobicContact CD1-CD1 4.3Å; L178-I189 HydrophobicContact CD1-CG2 3.68Å; L178-I189 HydrophobicContact CD2-CD1 4.02Å; L178-I189 HydrophobicContact CG-CD1 4.03Å; L178-I189 HydrophobicContact CG-CG1 4.32Å; L178-I189 HydrophobicContact CG-CG2 3.97Å; V187-I189 HydrophobicContact CG1-CG2 4.45Å | ||
| 190 | D | 93.9 | Very high | 95.2 | Very high | 37 Ų | 37 | 42 Ų | 42 | 20% | 0.198 | 22% | 0.222 | C | C | . | . | trans | 61.6 | 78.7 | 179.8 | -152.3 | -35.6 | 0 | 0 | 0 | 115.6 | K72 H169 G192 | K72-D190 VanDerWaalsContact CE-OD2 3.24Å; K72-D190 WeakPolarHBondContact CE-OD2 3.39Å; K72-D190 IonicContact NZ-OD1 3.3Å; K72-D190 PolarHBondContact NZ-OD1 2.74Å; K72-D190 IonicContact NZ-OD2 3.5Å; K72-D190 PolarHBondContact NZ-OD2 2.85Å; H169-D190 PolarHBondContact CE1-O 3.14Å; H169-D190 PolarHBondContact NE2-O 2.63Å; D190-G192 PolarHBondContact O-N 3.36Å; D190-G192 WeakPolarHBondContact OD1-CA 3.31Å; D190-G192 PolarHBondContact OD1-N 3.02Å | ||
| 191 | F | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -82.6 | 13 | 170.5 | -75.4 | -109 | 0 | 0 | 0 | 112.2 | E93 L96 L97 I106 V167 H169 L188 S193 G194 | E93-F191 HydrophobicContact CG-CB 4.05Å; E93-F191 PolarHBondContact OE1-N 3.36Å; L96-F191 HydrophobicContact CB-CB 4.33Å; L96-F191 HydrophobicContact CB-CD1 4.02Å; L97-F191 HydrophobicContact CD2-CB 4.38Å; L97-F191 HydrophobicContact CD2-CD2 3.6Å; L97-F191 HydrophobicContact CD2-CE2 4.11Å; L97-F191 HydrophobicContact CD2-CG 4.12Å; L97-F191 HydrophobicContact CG-CB 4.36Å; L97-F191 HydrophobicContact CG-CD2 4.45Å; I106-F191 HydrophobicContact CD1-CE2 4.28Å; I106-F191 HydrophobicContact CD1-CZ 3.85Å; I106-F191 HydrophobicContact CG2-CE2 3.81Å; I106-F191 HydrophobicContact CG2-CZ 3.99Å; V167-F191 HydrophobicContact CG1-CD1 3.85Å; V167-F191 HydrophobicContact CG1-CE1 3.62Å; H169-F191 AromaticContact CD2-CD1 3.8Å; H169-F191 AromaticContact CD2-CD2 3.84Å; H169-F191 AromaticContact CD2-CE1 3.64Å; H169-F191 AromaticContact CD2-CE2 3.68Å; H169-F191 AromaticContact CD2-CG 3.91Å; H169-F191 AromaticContact CD2-CZ 3.59Å; H169-F191 AromaticContact NE2-CD2 3.61Å; H169-F191 AromaticContact NE2-CE2 3.68Å; H169-F191 AromaticContact NE2-CG 3.96Å; L188-F191 HydrophobicContact CD2-CZ 4.28Å; L188-F191 HydrophobicContact CG-CE2 4.48Å; F191-S193 VanDerWaalsContact C-N 3.27Å; F191-S193 PolarHBondContact O-N 2.98Å; F191-G194 PolarHBondContact O-N 3.02Å |
| 192 | G | 94.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 6% | 0.062 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -57.3 | -38 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P80 E93 D190 | P80-G192 VanDerWaalsContact CG-O 3.28Å; P80-G192 WeakPolarHBondContact CG-O 3.4Å; E93-G192 VanDerWaalsContact CD-N 3.35Å; E93-G192 PolarHBondContact OE1-N 3.08Å; E93-G192 WeakPolarHBondContact OE2-CA 3.27Å; D190-G192 PolarHBondContact O-N 3.36Å; D190-G192 WeakPolarHBondContact OD1-CA 3.31Å; D190-G192 PolarHBondContact OD1-N 3.02Å |
| 193 | S | 95 | Very high | 95.8 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -93.5 | 4.7 | 176.1 | -64.9 | 0 | 0 | 0 | 0 | 113.7 | R170 F191 D206 | R170-S193 PolarHBondContact NE-O 2.74Å; R170-S193 PolarHBondContact NH2-O 3.47Å; F191-S193 VanDerWaalsContact C-N 3.27Å; F191-S193 PolarHBondContact O-N 2.98Å; S193-D206 PolarHBondContact OG-O 3.34Å |
| 194 | G | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -67 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L96 L168 H169 R170 F191 | L96-G194 VanDerWaalsContact CD1-C 3.46Å; L168-G194 WeakPolarHBondContact O-CA 3.35Å; H169-G194 WeakPolarHBondContact O-CA 3.4Å; R170-G194 PolarHBondContact NH2-O 3.03Å; F191-G194 PolarHBondContact O-N 3.02Å | ||
| 195 | A | 97.6 | Very high | 95.9 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 166.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L168 Y202 | L168-A195 PolarHBondContact N-O 3.1Å; L168-A195 PolarHBondContact O-N 3.5Å; A195-Y202 HydrophobicContact CB-CE1 3.93Å |
| 196 | F | 97.5 | Very high | 95.7 | Very high | 10 Ų | 10 | 33 Ų | 33 | 4% | 0.044 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 137.5 | 158.6 | -58.7 | -78.7 | 0 | 0 | 0 | 109.5 | V19 R21 L26 I92 V95 L96 M99 G166 E198 Y202 | V19-F196 HydrophobicContact CB-CE2 4.45Å; V19-F196 HydrophobicContact CG2-CD2 4.46Å; V19-F196 HydrophobicContact CG2-CE2 3.85Å; R21-F196 HydrophobicContact CG-CE1 3.96Å; R21-F196 HydrophobicContact CG-CE2 3.86Å; R21-F196 HydrophobicContact CG-CZ 3.47Å; R21-F196 VanDerWaalsContact CG-CZ 3.47Å; L26-F196 HydrophobicContact CD1-CE1 4.02Å; L26-F196 HydrophobicContact CD1-CZ 4.33Å; L26-F196 HydrophobicContact CD2-CD1 4.4Å; L26-F196 HydrophobicContact CD2-CE1 3.83Å; I92-F196 HydrophobicContact CD1-CD2 4.34Å; I92-F196 HydrophobicContact CD1-CE2 4.21Å; I92-F196 HydrophobicContact CG1-CE2 4.5Å; V95-F196 HydrophobicContact CG1-CE1 4.38Å; V95-F196 HydrophobicContact CG1-CZ 4.1Å; L96-F196 HydrophobicContact CD2-CD1 4.37Å; L96-F196 HydrophobicContact CD2-CE1 4.43Å; M99-F196 HydrophobicContact CE-CD1 3.97Å; M99-F196 HydrophobicContact CE-CE1 4.09Å; M99-F196 HydrophobicContact SD-CD1 3.87Å; M99-F196 HydrophobicContact SD-CE1 3.48Å; M99-F196 WeakPolarHBondContact SD-CE1 3.22Å; G166-F196 CarbonylContact O-C 3.53Å; G166-F196 WeakPolarHBondContact O-CA 3.32Å; F196-E198 HydrophobicContact CB-CG 4.35Å; F196-E198 PolarHBondContact O-N 3.38Å; F196-Y202 PolarHBondContact O-OH 3.31Å |
| 197 | L | 97.7 | Very high | 95.6 | Very high | 38 Ų | 38 | 33.4 Ų | 33.4 | 20% | 0.199 | 18% | 0.184 | C | C | . | . | trans | -75.4 | 116.1 | 173.9 | 176.4 | 60.7 | 0 | 0 | 0 | 109.6 | H163 G166 L168 Y202 K225 | H163-L197 HydrophobicContact CB-CD2 3.75Å; G166-L197 PolarHBondContact O-N 2.91Å; L168-L197 HydrophobicContact CB-CB 4.23Å; L168-L197 HydrophobicContact CB-CD1 4.3Å; L168-L197 HydrophobicContact CD1-CD1 4.23Å; L197-Y202 WeakPolarHBondContact CA-OH 3.14Å; L197-K225 HydrophobicContact CD1-CG 4.11Å | ||
| 198 | E | 94.9 | Very high | 95.5 | Very high | 51 Ų | 51 | 32.8 Ų | 32.8 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | trans | -130.7 | 151.4 | -176 | -63.4 | 177.7 | 159.7 | 0 | 0 | 110 | R21 F196 R200 Y202 | R21-E198 IonicContact CZ-OE1 3.61Å; R21-E198 IonicContact NH1-OE1 3.59Å; R21-E198 IonicContact NH2-OE1 2.84Å; R21-E198 PolarHBondContact NH2-OE1 3.44Å; F196-E198 HydrophobicContact CB-CG 4.35Å; F196-E198 PolarHBondContact O-N 3.38Å; E198-R200 VanDerWaalsContact C-N 3.34Å; E198-R200 HydrophobicContact CB-CG 4.15Å; E198-R200 IonicContact OE2-CZ 3.82Å; E198-R200 IonicContact OE2-NE 3.98Å; E198-R200 PolarHBondContact OE2-NE 2.87Å; E198-R200 IonicContact OE2-NH2 3.32Å; E198-R200 PolarHBondContact OE2-NH2 3.04Å; E198-Y202 PolarHBondContact N-OH 2.82Å | ||
| 199 | S | 94.9 | Very high | 95.4 | Very high | 119 Ų | 119 | 36.4 Ų | 36.4 | 83% | 0.832 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -76.4 | -19.6 | -179.2 | 54.6 | 0 | 0 | 0 | 0 | 114 | ||
| 200 | R | 94.9 | Very high | 95.6 | Very high | 134 Ų | 134 | 36.6 Ų | 36.6 | 51% | 0.506 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -69.2 | 163.2 | 178.8 | 67.1 | 174.5 | 175 | 118 | 6.1 | 112.1 | E198 Y202 | E198-R200 VanDerWaalsContact C-N 3.34Å; E198-R200 HydrophobicContact CB-CG 4.15Å; E198-R200 IonicContact OE2-CZ 3.82Å; E198-R200 IonicContact OE2-NE 3.98Å; E198-R200 PolarHBondContact OE2-NE 2.87Å; E198-R200 IonicContact OE2-NH2 3.32Å; E198-R200 PolarHBondContact OE2-NH2 3.04Å; R200-Y202 PolarHBondContact O-N 2.79Å |
| 201 | L | 96.2 | Very high | 95.8 | Very high | 49 Ų | 49 | 35 Ų | 35 | 26% | 0.257 | 19% | 0.187 | S | C | . | . | P | Polyproline II helix | trans | -67 | 129.3 | 165.5 | -74.9 | 167.3 | 0 | 0 | 0 | 110.1 | Y222 H223 | L201-Y222 WeakPolarHBondContact CA-O 3.22Å; L201-Y222 VanDerWaalsContact CD2-C 3.44Å; L201-Y222 WeakPolarHBondContact CD2-O 3.44Å; L201-H223 VanDerWaalsContact CD2-CD2 3.44Å; L201-H223 WeakPolarHBondContact CD2-CD2 3.46Å; L201-H223 WeakPolarHBondContact CD2-NE2 3.3Å |
| 202 | Y | 97.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -74.1 | 151.9 | 164.5 | -63.7 | -97.2 | 0 | 0 | 0 | 109 | L168 A195 F196 L197 E198 R200 R221 Y222 | L168-Y202 HydrophobicContact CD2-CE1 4.39Å; L168-Y202 HydrophobicContact CD2-CE2 3.94Å; A195-Y202 HydrophobicContact CB-CE1 3.93Å; F196-Y202 PolarHBondContact O-OH 3.31Å; L197-Y202 WeakPolarHBondContact CA-OH 3.14Å; E198-Y202 PolarHBondContact N-OH 2.82Å; R200-Y202 PolarHBondContact O-N 2.79Å; Y202-R221 WeakPolarHBondContact O-CA 3.32Å; Y202-Y222 HydrophobicContact CD2-CD2 4.22Å; Y202-Y222 AromaticContact CD2-CE2 3.81Å; Y202-Y222 HydrophobicContact CD2-CE2 3.81Å; Y202-Y222 HydrophobicContact CG-CD2 4.48Å; Y202-Y222 AromaticContact CG-CE2 3.78Å; Y202-Y222 HydrophobicContact CG-CE2 3.78Å; Y202-Y222 AromaticContact CG-CZ 3.88Å; Y202-Y222 PolarHBondContact N-O 3.15Å; Y202-Y222 PolarHBondContact O-N 2.98Å |
| 203 | T | 96.2 | Very high | 96 | Very high | 81 Ų | 81 | 34.8 Ų | 34.8 | 50% | 0.497 | 18% | 0.184 | S | C | . | . | trans | -132.8 | 29.5 | -178.3 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | R221 | T203-R221 HydrophobicContact CG2-CG 4.15Š| ||
| 204 | D | 93.9 | Very high | 96.2 | Very high | 19 Ų | 19 | 34.8 Ų | 34.8 | 10% | 0.102 | 18% | 0.184 | C | C | . | . | trans | -162 | 138.1 | -163.9 | 54.1 | -81.8 | 0 | 0 | 0 | 108.6 | R17 R170 Y222 | R17-D204 IonicContact CZ-OD2 2.76Å; R17-D204 IonicContact NE-OD2 2.73Å; R17-D204 IonicContact NH1-OD1 2.56Å; R17-D204 IonicContact NH1-OD2 3.43Å; R17-D204 PolarHBondContact NH1-OD2 2.93Å; R17-D204 IonicContact NH2-OD2 3.57Å; R17-D204 PolarHBondContact NH2-OD2 2.61Å; R170-D204 IonicContact CZ-OD2 2.6Å; R170-D204 PolarHBondContact NH1-O 2.97Å; R170-D204 IonicContact NH1-OD2 3.58Å; R170-D204 PolarHBondContact NH1-OD2 3.35Å; R170-D204 IonicContact NH2-OD2 3.54Å; D204-Y222 WeakPolarHBondContact O-CE1 3.45Å; D204-Y222 VanDerWaalsContact O-CZ 3.31Å; D204-Y222 PolarHBondContact O-OH 2.91Å | ||
| 205 | F | 93.5 | Very high | 96.3 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 11% | 0.114 | 19% | 0.188 | C | C | . | . | trans | -151.8 | 120.1 | 179.1 | -173.8 | -96.8 | 0 | 0 | 0 | 109.3 | R170 G207 S212 W216 Y222 | R170-F205 WeakPolarHBondContact O-CE2 3.39Å; F205-G207 WeakPolarHBondContact CE1-O 3.37Å; F205-S212 VanDerWaalsContact CE1-CB 3.45Å; F205-W216 HydrophobicContact CB-CD2 3.66Å; F205-W216 VanDerWaalsContact CB-CE2 3.4Å; F205-W216 HydrophobicContact CB-CE3 3.93Å; F205-W216 HydrophobicContact CB-CG 4.32Å; F205-W216 HydrophobicContact CB-CH2 3.82Å; F205-W216 HydrophobicContact CB-CZ2 3.52Å; F205-W216 HydrophobicContact CB-CZ3 4Å; F205-W216 AromaticContact CD1-NE1 3.84Å; F205-W216 HydrophobicContact CG-CD2 4.28Å; F205-W216 HydrophobicContact CG-CG 4.46Å; F205-Y222 HydrophobicContact CB-CE1 4.03Å; F205-Y222 AromaticContact CD2-CE1 3.96Å; F205-Y222 HydrophobicContact CD2-CE1 3.96Å; F205-Y222 AromaticContact CD2-CZ 3.94Å; F205-Y222 HydrophobicContact CG-CE1 4.46Å | ||
| 206 | D | 91.8 | Very high | 96.3 | Very high | 44 Ų | 44 | 36.4 Ų | 36.4 | 24% | 0.235 | 19% | 0.189 | C | C | . | . | trans | -111.3 | 4.2 | -176.4 | -44.9 | -80.9 | 0 | 0 | 0 | 111.6 | R17 P80 R170 S193 | R17-D206 IonicContact CZ-OD2 2.73Å; R17-D206 IonicContact NE-OD1 3.35Å; R17-D206 IonicContact NE-OD2 3.56Å; R17-D206 IonicContact NH2-OD2 3.77Å; R17-D206 PolarHBondContact NH2-OD2 3.46Å; P80-D206 HydrophobicContact CB-CB 4.01Å; P80-D206 HydrophobicContact CG-CB 4.43Å; R170-D206 IonicContact CZ-OD2 3.61Å; R170-D206 IonicContact NH1-OD2 2.81Å; R170-D206 IonicContact NH2-OD2 3.57Å; R170-D206 PolarHBondContact NH2-OD2 3.31Å; S193-D206 PolarHBondContact OG-O 3.34Å | ||
| 207 | G | 94.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 13% | 0.134 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -85.8 | -176.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F205 R209 | F205-G207 WeakPolarHBondContact CE1-O 3.37Å; G207-R209 PolarHBondContact O-N 3.3Å |
| 208 | T | 95.1 | Very high | 96.3 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | trans | -72.3 | 117.8 | -173.3 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | D171 K173 V210 Y211 S212 | D171-T208 WeakPolarHBondContact OD1-CB 3.28Å; D171-T208 PolarHBondContact OD1-N 3.03Å; D171-T208 PolarHBondContact OD1-OG1 3.2Å; D171-T208 PolarHBondContact OD2-OG1 3.41Å; K173-T208 HydrophobicContact CD-CG2 4.39Å; K173-T208 WeakPolarHBondContact CD-OG1 3.43Å; K173-T208 WeakPolarHBondContact CE-OG1 3.33Å; K173-T208 PolarHBondContact NZ-OG1 3.49Å; T208-V210 VanDerWaalsContact C-N 3.33Å; T208-V210 HydrophobicContact CG2-CG2 3.96Å; T208-V210 PolarHBondContact O-N 3.48Å; T208-Y211 HydrophobicContact CG2-CD2 4.05Å; T208-Y211 PolarHBondContact O-N 3.37Å; T208-S212 PolarHBondContact O-N 3.23Å | ||
| 209 | R | 96.4 | Very high | 96.4 | Very high | 78 Ų | 78 | 42.1 Ų | 42.1 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -58.4 | -35.9 | -168.1 | -169.3 | 177.3 | -174.7 | 83.8 | -2.4 | 114.6 | G207 Y211 S212 I217 D249 | G207-R209 PolarHBondContact O-N 3.3Å; R209-Y211 VanDerWaalsContact C-N 3.26Å; R209-Y211 PolarHBondContact O-N 3.22Å; R209-S212 WeakPolarHBondContact O-CB 3.35Å; R209-S212 PolarHBondContact O-N 3.32Å; R209-S212 VanDerWaalsContact O-N 3.1Å; R209-S212 PolarHBondContact O-OG 3.31Å; R209-I217 HydrophobicContact CG-CD1 4.03Å; R209-D249 IonicContact CZ-OD1 2.69Å; R209-D249 IonicContact CZ-OD2 2.7Å; R209-D249 IonicContact NE-OD1 4Å; R209-D249 PolarHBondContact NE-OD1 2.77Å; R209-D249 IonicContact NE-OD2 3.1Å; R209-D249 PolarHBondContact NE-OD2 3.04Å; R209-D249 IonicContact NH2-OD1 3.75Å; R209-D249 IonicContact NH2-OD2 2.74Å; R209-D249 PolarHBondContact NH2-OD2 3.3Å |
| 210 | V | 97.8 | Very high | 96.5 | Very high | 39 Ų | 39 | 40.9 Ų | 40.9 | 24% | 0.236 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -70.3 | -21.8 | 179.2 | -67.9 | 0 | 0 | 0 | 0 | 113.7 | T208 I244 | T208-V210 VanDerWaalsContact C-N 3.33Å; T208-V210 HydrophobicContact CG2-CG2 3.96Å; T208-V210 PolarHBondContact O-N 3.48Å; V210-I244 HydrophobicContact CB-CD1 3.87Å; V210-I244 HydrophobicContact CG1-CD1 4.34Å; V210-I244 HydrophobicContact CG2-CD1 3.68Å |
| 211 | Y | 98.5 | Very high | 96.7 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -88.2 | -3.1 | 171.7 | -80.5 | -87.4 | 0 | 0 | 0 | 113.3 | I172 K173 D174 T208 R209 S231 V234 L235 I244 | I172-Y211 VanDerWaalsContact O-CD1 3.24Å; I172-Y211 WeakPolarHBondContact O-CD1 3.29Å; K173-Y211 HydrophobicContact CB-CD1 4.17Å; K173-Y211 HydrophobicContact CB-CD2 3.73Å; K173-Y211 HydrophobicContact CB-CE1 3.87Å; K173-Y211 HydrophobicContact CB-CE2 3.37Å; K173-Y211 HydrophobicContact CB-CG 4.11Å; K173-Y211 VanDerWaalsContact CB-CZ 3.45Å; K173-Y211 HydrophobicContact CD-CD2 4.46Å; K173-Y211 HydrophobicContact CD-CE2 4.4Å; D174-Y211 PolarHBondContact OD1-OH 3.34Å; T208-Y211 HydrophobicContact CG2-CD2 4.05Å; T208-Y211 PolarHBondContact O-N 3.37Å; R209-Y211 VanDerWaalsContact C-N 3.26Å; R209-Y211 PolarHBondContact O-N 3.22Å; Y211-S231 PolarHBondContact O-OG 3.14Å; Y211-V234 HydrophobicContact CD1-CB 3.65Å; Y211-V234 HydrophobicContact CD1-CG1 3.45Å; Y211-V234 VanDerWaalsContact CD1-CG1 3.45Å; Y211-V234 HydrophobicContact CD1-CG2 4.48Å; Y211-V234 HydrophobicContact CE1-CB 3.82Å; Y211-V234 HydrophobicContact CE1-CG1 3.42Å; Y211-V234 VanDerWaalsContact CE1-CG1 3.42Å; Y211-V234 HydrophobicContact CG-CG1 4.06Å; Y211-L235 HydrophobicContact CE1-CB 4.14Å; Y211-I244 HydrophobicContact CE2-CG2 4.36Å |
| 212 | S | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -84 | 149.2 | -177.2 | 78.8 | 0 | 0 | 0 | 0 | 112.9 | F205 T208 R209 I217 W230 | F205-S212 VanDerWaalsContact CE1-CB 3.45Å; T208-S212 PolarHBondContact O-N 3.23Å; R209-S212 WeakPolarHBondContact O-CB 3.35Å; R209-S212 PolarHBondContact O-N 3.32Å; R209-S212 VanDerWaalsContact O-N 3.1Å; R209-S212 PolarHBondContact O-OG 3.31Å; S212-I217 WeakPolarHBondContact OG-CD1 3.24Å; S212-W230 PolarHBondContact O-NE1 3.1Å; S212-W230 VanDerWaalsContact O-NE1 3.09Å |
| 213 | P | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -83.2 | 158.8 | -171.8 | 37 | -40.4 | 0 | 0 | 0 | 113.1 | E215 W216 I217 A227 W230 | P213-E215 VanDerWaalsContact C-N 3.29Å; P213-E215 WeakPolarHBondContact CB-OE1 3.41Å; P213-E215 WeakPolarHBondContact CB-OE2 3.45Å; P213-E215 HydrophobicContact CG-CG 4.46Å; P213-E215 PolarHBondContact O-N 3Å; P213-W216 HydrophobicContact CG-CB 4.03Å; P213-W216 WeakPolarHBondContact O-CB 3.49Å; P213-W216 PolarHBondContact O-N 3.21Å; P213-I217 PolarHBondContact O-N 2.94Å; P213-A227 HydrophobicContact CG-CB 3.82Å; P213-W230 HydrophobicContact CB-CB 3.89Å; P213-W230 HydrophobicContact CB-CD2 4.1Å; P213-W230 HydrophobicContact CB-CG 3.68Å | ||
| 214 | P | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -32.4 | -175 | 24.4 | -34.8 | 0 | 0 | 0 | 113.3 | W216 I217 L218 W230 I252 M278 | P214-W216 VanDerWaalsContact C-N 3.29Å; P214-W216 PolarHBondContact O-N 3.01Å; P214-I217 PolarHBondContact O-N 3.43Å; P214-L218 VanDerWaalsContact O-CB 3.3Å; P214-L218 WeakPolarHBondContact O-CB 3.27Å; P214-L218 VanDerWaalsContact O-CG 3.23Å; P214-L218 WeakPolarHBondContact O-CG 3.28Å; P214-L218 PolarHBondContact O-N 2.92Å; P214-W230 VanDerWaalsContact CD-CZ3 3.5Å; P214-W230 HydrophobicContact CG-CE3 4.25Å; P214-W230 HydrophobicContact CG-CH2 3.98Å; P214-W230 HydrophobicContact CG-CZ3 3.81Å; P214-I252 HydrophobicContact CB-CG2 4.18Å; P214-M278 HydrophobicContact CB-CE 3.51Å; P214-M278 HydrophobicContact CB-SD 4.45Å; P214-M278 HydrophobicContact CG-CE 3.67Å; P214-M278 HydrophobicContact CG-SD 4.08Å |
| 215 | E | 98.5 | Very high | 97.1 | Very high | 17 Ų | 17 | 42 Ų | 42 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.1 | -27.3 | 175.4 | 67.5 | -82.7 | -166.8 | 0 | 0 | 113.5 | P213 N219 R221 P280 R283 | P213-E215 VanDerWaalsContact C-N 3.29Å; P213-E215 WeakPolarHBondContact CB-OE1 3.41Å; P213-E215 WeakPolarHBondContact CB-OE2 3.45Å; P213-E215 HydrophobicContact CG-CG 4.46Å; P213-E215 PolarHBondContact O-N 3Å; E215-N219 WeakPolarHBondContact O-CA 3.43Å; E215-N219 VanDerWaalsContact O-CB 3.3Å; E215-N219 WeakPolarHBondContact O-CB 3.29Å; E215-N219 PolarHBondContact O-N 2.75Å; E215-N219 PolarHBondContact O-ND2 3.19Å; E215-R221 CarbonylContact C-O 3.49Å; E215-R221 WeakPolarHBondContact CG-O 3.32Å; E215-P280 HydrophobicContact CB-CG 4.35Å; E215-P280 VanDerWaalsContact CD-CG 3.46Å; E215-P280 HydrophobicContact CG-CG 3.99Å; E215-R283 IonicContact OE1-CZ 2.91Å; E215-R283 IonicContact OE1-NH1 2.72Å; E215-R283 PolarHBondContact OE1-NH1 2.64Å; E215-R283 IonicContact OE1-NH2 3.9Å; E215-R283 IonicContact OE2-CZ 2.81Å; E215-R283 IonicContact OE2-NH1 3.81Å; E215-R283 PolarHBondContact OE2-NH1 3.15Å; E215-R283 IonicContact OE2-NH2 3.05Å; E215-R283 PolarHBondContact OE2-NH2 2.59Å |
| 216 | W | 98.3 | Very high | 97.3 | Very high | 27 Ų | 27 | 43.9 Ų | 43.9 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.1 | -49.1 | 169.6 | 169.6 | -108.3 | 0 | 0 | 0 | 110.4 | F205 P213 P214 L218 N220 Y222 | F205-W216 HydrophobicContact CB-CD2 3.66Å; F205-W216 VanDerWaalsContact CB-CE2 3.4Å; F205-W216 HydrophobicContact CB-CE3 3.93Å; F205-W216 HydrophobicContact CB-CG 4.32Å; F205-W216 HydrophobicContact CB-CH2 3.82Å; F205-W216 HydrophobicContact CB-CZ2 3.52Å; F205-W216 HydrophobicContact CB-CZ3 4Å; F205-W216 AromaticContact CD1-NE1 3.84Å; F205-W216 HydrophobicContact CG-CD2 4.28Å; F205-W216 HydrophobicContact CG-CG 4.46Å; P213-W216 HydrophobicContact CG-CB 4.03Å; P213-W216 WeakPolarHBondContact O-CB 3.49Å; P213-W216 PolarHBondContact O-N 3.21Å; P214-W216 VanDerWaalsContact C-N 3.29Å; P214-W216 PolarHBondContact O-N 3.01Å; W216-L218 VanDerWaalsContact C-N 3.31Å; W216-L218 PolarHBondContact O-N 3.27Å; W216-N220 HydrophobicContact CE3-CB 4.27Å; W216-N220 HydrophobicContact CH2-CB 4.21Å; W216-N220 VanDerWaalsContact CZ3-C 3.42Å; W216-N220 HydrophobicContact CZ3-CB 3.89Å; W216-N220 WeakPolarHBondContact CZ3-O 3.11Å; W216-N220 WeakPolarHBondContact O-CA 3.24Å; W216-N220 PolarHBondContact O-N 2.78Å; W216-Y222 HydrophobicContact CB-CD1 4.24Å; W216-Y222 HydrophobicContact CD2-CD1 4.41Å; W216-Y222 HydrophobicContact CD2-CE1 4.49Å; W216-Y222 AromaticContact CE3-CD1 3.82Å; W216-Y222 HydrophobicContact CE3-CD1 3.82Å; W216-Y222 AromaticContact CE3-CE1 3.88Å; W216-Y222 HydrophobicContact CE3-CE1 3.88Å; W216-Y222 HydrophobicContact CZ3-CE1 4.41Å |
| 217 | I | 97.7 | Very high | 97.7 | Very high | 21 Ų | 21 | 42 Ų | 42 | 11% | 0.108 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -40 | 178.7 | -55.2 | -63.5 | 0 | 0 | 0 | 111.8 | R209 S212 P213 P214 D249 I252 I253 | R209-I217 HydrophobicContact CG-CD1 4.03Å; S212-I217 WeakPolarHBondContact OG-CD1 3.24Å; P213-I217 PolarHBondContact O-N 2.94Å; P214-I217 PolarHBondContact O-N 3.43Å; I217-D249 HydrophobicContact CG2-CB 3.81Å; I217-I252 HydrophobicContact CD1-CD1 4.32Å; I217-I252 HydrophobicContact CG1-CD1 4.3Å; I217-I252 HydrophobicContact CG1-CG2 4.04Å; I217-I253 HydrophobicContact CB-CG1 4.47Å; I217-I253 HydrophobicContact CG2-CD1 3.77Å; I217-I253 HydrophobicContact CG2-CG1 4.01Å |
| 218 | L | 97.5 | Very high | 97.9 | Very high | 96 Ų | 96 | 41.6 Ų | 41.6 | 50% | 0.503 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -82.4 | -40.9 | -176.2 | -69.5 | 168.2 | 0 | 0 | 0 | 113.7 | P214 W216 I253 | P214-L218 VanDerWaalsContact O-CB 3.3Å; P214-L218 WeakPolarHBondContact O-CB 3.27Å; P214-L218 VanDerWaalsContact O-CG 3.23Å; P214-L218 WeakPolarHBondContact O-CG 3.28Å; P214-L218 PolarHBondContact O-N 2.92Å; W216-L218 VanDerWaalsContact C-N 3.31Å; W216-L218 PolarHBondContact O-N 3.27Å; L218-I253 HydrophobicContact CD2-CD1 3.79Å; L218-I253 HydrophobicContact CD2-CG1 3.93Å; L218-I253 HydrophobicContact CD2-CG2 4.13Å; L218-I253 HydrophobicContact CG-CD1 4.38Å; L218-I253 HydrophobicContact CG-CG1 4.08Å |
| 219 | N | 96.9 | Very high | 98.1 | Very high | 103 Ų | 103 | 41.3 Ų | 41.3 | 55% | 0.551 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -122.1 | -6.3 | -167 | -48.8 | -66.5 | 0 | 0 | 0 | 114 | E215 R221 | E215-N219 WeakPolarHBondContact O-CA 3.43Å; E215-N219 VanDerWaalsContact O-CB 3.3Å; E215-N219 WeakPolarHBondContact O-CB 3.29Å; E215-N219 PolarHBondContact O-N 2.75Å; E215-N219 PolarHBondContact O-ND2 3.19Å; N219-R221 WeakPolarHBondContact O-CG 3.38Å; N219-R221 PolarHBondContact O-N 2.81Å |
| 220 | N | 97.1 | Very high | 98.2 | Very high | 92 Ų | 92 | 37.6 Ų | 37.6 | 49% | 0.492 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 54.1 | 32.1 | -168.6 | -57.2 | -82.9 | 0 | 0 | 0 | 113.5 | W216 | W216-N220 HydrophobicContact CE3-CB 4.27Å; W216-N220 HydrophobicContact CH2-CB 4.21Å; W216-N220 VanDerWaalsContact CZ3-C 3.42Å; W216-N220 HydrophobicContact CZ3-CB 3.89Å; W216-N220 WeakPolarHBondContact CZ3-O 3.11Å; W216-N220 WeakPolarHBondContact O-CA 3.24Å; W216-N220 PolarHBondContact O-N 2.78Å |
| 221 | R | 97.7 | Very high | 98.2 | Very high | 124 Ų | 124 | 36 Ų | 36 | 47% | 0.468 | 17% | 0.171 | S | C | . | . | trans | -147.5 | 141.1 | -178.8 | -56.6 | -178.5 | 77.5 | -160.5 | 6.5 | 112 | Y202 T203 E215 N219 | Y202-R221 WeakPolarHBondContact O-CA 3.32Å; T203-R221 HydrophobicContact CG2-CG 4.15Å; E215-R221 CarbonylContact C-O 3.49Å; E215-R221 WeakPolarHBondContact CG-O 3.32Å; N219-R221 WeakPolarHBondContact O-CG 3.38Å; N219-R221 PolarHBondContact O-N 2.81Å | ||
| 222 | Y | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -152.1 | 160.3 | 178.2 | 60.3 | -84 | 0 | 0 | 0 | 112 | R170 L201 Y202 D204 F205 W216 A227 | R170-Y222 WeakPolarHBondContact CD-OH 3.43Å; R170-Y222 PolarHBondContact NH1-OH 3.19Å; L201-Y222 WeakPolarHBondContact CA-O 3.22Å; L201-Y222 VanDerWaalsContact CD2-C 3.44Å; L201-Y222 WeakPolarHBondContact CD2-O 3.44Å; Y202-Y222 HydrophobicContact CD2-CD2 4.22Å; Y202-Y222 AromaticContact CD2-CE2 3.81Å; Y202-Y222 HydrophobicContact CD2-CE2 3.81Å; Y202-Y222 HydrophobicContact CG-CD2 4.48Å; Y202-Y222 AromaticContact CG-CE2 3.78Å; Y202-Y222 HydrophobicContact CG-CE2 3.78Å; Y202-Y222 AromaticContact CG-CZ 3.88Å; Y202-Y222 PolarHBondContact N-O 3.15Å; Y202-Y222 PolarHBondContact O-N 2.98Å; D204-Y222 WeakPolarHBondContact O-CE1 3.45Å; D204-Y222 VanDerWaalsContact O-CZ 3.31Å; D204-Y222 PolarHBondContact O-OH 2.91Å; F205-Y222 HydrophobicContact CB-CE1 4.03Å; F205-Y222 AromaticContact CD2-CE1 3.96Å; F205-Y222 HydrophobicContact CD2-CE1 3.96Å; F205-Y222 AromaticContact CD2-CZ 3.94Å; F205-Y222 HydrophobicContact CG-CE1 4.46Å; W216-Y222 HydrophobicContact CB-CD1 4.24Å; W216-Y222 HydrophobicContact CD2-CD1 4.41Å; W216-Y222 HydrophobicContact CD2-CE1 4.49Å; W216-Y222 AromaticContact CE3-CD1 3.82Å; W216-Y222 HydrophobicContact CE3-CD1 3.82Å; W216-Y222 AromaticContact CE3-CE1 3.88Å; W216-Y222 HydrophobicContact CE3-CE1 3.88Å; W216-Y222 HydrophobicContact CZ3-CE1 4.41Å; Y222-A227 HydrophobicContact CD2-CB 3.41Å; Y222-A227 VanDerWaalsContact CD2-CB 3.41Å; Y222-A227 HydrophobicContact CE2-CB 4.1Å; Y222-A227 HydrophobicContact CG-CB 3.99Å |
| 223 | H | 98.1 | Very high | 98.3 | Very high | 81 Ų | 81 | 35.7 Ų | 35.7 | 38% | 0.375 | 17% | 0.17 | S | C | . | . | trans | -92.2 | 136.1 | 164.6 | -70.5 | -81.4 | 0 | 0 | 0 | 109.3 | L201 K225 Q226 A227 | L201-H223 VanDerWaalsContact CD2-CD2 3.44Å; L201-H223 WeakPolarHBondContact CD2-CD2 3.46Å; L201-H223 WeakPolarHBondContact CD2-NE2 3.3Å; H223-K225 PolarHBondContact O-N 2.77Å; H223-Q226 HydrophobicContact CB-CB 4.41Å; H223-Q226 PolarHBondContact O-N 2.9Å; H223-A227 PolarHBondContact O-N 2.97Å | ||
| 224 | G | 98 | Very high | 98.3 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.2 | -51.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L168 Q226 A227 E228 | L168-G224 VanDerWaalsContact CD2-CA 3.49Å; G224-Q226 PolarHBondContact O-N 3.41Å; G224-A227 PolarHBondContact O-N 3.17Å; G224-E228 PolarHBondContact O-N 2.92Å |
| 225 | K | 98.3 | Very high | 98.3 | Very high | 99 Ų | 99 | 35.7 Ų | 35.7 | 43% | 0.43 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.1 | -40.2 | -178 | -58.2 | -163.2 | 177.4 | -152.9 | 0 | 112.4 | H163 L197 H223 A227 E228 V229 | H163-K225 VanDerWaalsContact ND1-CE 3.28Å; H163-K225 WeakPolarHBondContact ND1-CE 3.27Å; H163-K225 PolarHBondContact ND1-NZ 3.38Å; L197-K225 HydrophobicContact CD1-CG 4.11Å; H223-K225 PolarHBondContact O-N 2.77Å; K225-A227 VanDerWaalsContact C-N 3.32Å; K225-A227 PolarHBondContact O-N 2.88Å; K225-E228 PolarHBondContact O-N 2.82Å; K225-V229 VanDerWaalsContact O-CG2 3.29Å; K225-V229 WeakPolarHBondContact O-CG2 3.01Å; K225-V229 PolarHBondContact O-N 3.01Å |
| 226 | Q | 98.6 | Very high | 98.3 | Very high | 65 Ų | 65 | 34.9 Ų | 34.9 | 30% | 0.304 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -68.7 | -31.2 | 179.1 | -70.9 | 73.6 | 8.4 | 0 | 0 | 112.2 | H223 G224 W230 P280 R283 | H223-Q226 HydrophobicContact CB-CB 4.41Å; H223-Q226 PolarHBondContact O-N 2.9Å; G224-Q226 PolarHBondContact O-N 3.41Å; Q226-W230 PolarHBondContact O-N 3.43Å; Q226-P280 HydrophobicContact CB-CB 3.98Å; Q226-P280 HydrophobicContact CG-CB 4.16Å; Q226-P280 WeakPolarHBondContact CG-O 3.48Å; Q226-R283 VanDerWaalsContact O-CD 3.27Å; Q226-R283 WeakPolarHBondContact O-CD 3.43Å; Q226-R283 PolarHBondContact O-NH1 3.43Å |
| 227 | A | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.033 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.2 | -44.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P213 Y222 H223 G224 K225 V229 W230 S231 | P213-A227 HydrophobicContact CG-CB 3.82Å; Y222-A227 HydrophobicContact CD2-CB 3.41Å; Y222-A227 VanDerWaalsContact CD2-CB 3.41Å; Y222-A227 HydrophobicContact CE2-CB 4.1Å; Y222-A227 HydrophobicContact CG-CB 3.99Å; H223-A227 PolarHBondContact O-N 2.97Å; G224-A227 PolarHBondContact O-N 3.17Å; K225-A227 VanDerWaalsContact C-N 3.32Å; K225-A227 PolarHBondContact O-N 2.88Å; A227-V229 VanDerWaalsContact C-N 3.32Å; A227-V229 PolarHBondContact O-N 3.09Å; A227-W230 WeakPolarHBondContact O-CB 3.36Å; A227-W230 PolarHBondContact O-N 3.14Å; A227-W230 VanDerWaalsContact O-N 3.09Å; A227-S231 PolarHBondContact O-N 3.42Å; A227-S231 PolarHBondContact O-OG 2.72Å |
| 228 | E | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 2% | 0.023 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.8 | -42.5 | 175.4 | -174.5 | -171.8 | 78.3 | 0 | 0 | 111.9 | L159 H163 L168 I172 G224 K225 W230 S231 L232 | L159-E228 HydrophobicContact CD1-CG 4.12Å; H163-E228 IonicContact CD2-OE2 3.52Å; H163-E228 IonicContact CE1-OE1 3.53Å; H163-E228 PolarHBondContact CE1-OE1 2.92Å; H163-E228 IonicContact CE1-OE2 2.71Å; H163-E228 IonicContact NE2-OE1 2.72Å; H163-E228 PolarHBondContact NE2-OE1 3.32Å; H163-E228 IonicContact NE2-OE2 3.95Å; H163-E228 PolarHBondContact NE2-OE2 3.23Å; L168-E228 HydrophobicContact CD1-CB 4.3Å; L168-E228 WeakPolarHBondContact CD1-OE2 3.38Å; I172-E228 HydrophobicContact CG1-CG 4.45Å; G224-E228 PolarHBondContact O-N 2.92Å; K225-E228 PolarHBondContact O-N 2.82Å; E228-W230 VanDerWaalsContact C-N 3.32Å; E228-W230 PolarHBondContact O-N 2.77Å; E228-S231 PolarHBondContact O-N 2.81Å; E228-L232 WeakPolarHBondContact O-CG 3.45Å; E228-L232 PolarHBondContact O-N 3.36Å |
| 229 | V | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.024 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.1 | -35.2 | 174.3 | 169.1 | 0 | 0 | 0 | 0 | 112.4 | K225 A227 G233 C275 R283 P284 L286 I289 | K225-V229 VanDerWaalsContact O-CG2 3.29Å; K225-V229 WeakPolarHBondContact O-CG2 3.01Å; K225-V229 PolarHBondContact O-N 3.01Å; A227-V229 VanDerWaalsContact C-N 3.32Å; A227-V229 PolarHBondContact O-N 3.09Å; V229-G233 PolarHBondContact O-N 2.87Å; V229-C275 HydrophobicContact CG1-CB 4.04Å; V229-C275 WeakPolarHBondContact O-CB 3.16Å; V229-R283 HydrophobicContact CG1-CB 3.84Å; V229-P284 HydrophobicContact CG1-CG 4.38Å; V229-P284 WeakPolarHBondContact CG1-O 3.49Å; V229-P284 VanDerWaalsContact CG2-O 3.28Å; V229-P284 WeakPolarHBondContact CG2-O 3.48Å; V229-L286 HydrophobicContact CG2-CD2 4.24Å; V229-I289 HydrophobicContact CG1-CD1 4.15Å; V229-I289 HydrophobicContact CG2-CD1 4.13Å |
| 230 | W | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64 | -48.7 | 171.9 | 174.2 | -81.7 | 0 | 0 | 0 | 110.9 | S212 P213 P214 Q226 A227 E228 L232 G233 V234 F246 I252 L276 M278 | S212-W230 PolarHBondContact O-NE1 3.1Å; S212-W230 VanDerWaalsContact O-NE1 3.09Å; P213-W230 HydrophobicContact CB-CB 3.89Å; P213-W230 HydrophobicContact CB-CD2 4.1Å; P213-W230 HydrophobicContact CB-CG 3.68Å; P214-W230 VanDerWaalsContact CD-CZ3 3.5Å; P214-W230 HydrophobicContact CG-CE3 4.25Å; P214-W230 HydrophobicContact CG-CH2 3.98Å; P214-W230 HydrophobicContact CG-CZ3 3.81Å; Q226-W230 PolarHBondContact O-N 3.43Å; A227-W230 WeakPolarHBondContact O-CB 3.36Å; A227-W230 PolarHBondContact O-N 3.14Å; A227-W230 VanDerWaalsContact O-N 3.09Å; E228-W230 VanDerWaalsContact C-N 3.32Å; E228-W230 PolarHBondContact O-N 2.77Å; W230-L232 VanDerWaalsContact C-N 3.3Å; W230-L232 PolarHBondContact O-N 3.1Å; W230-G233 WeakPolarHBondContact O-CA 3.33Å; W230-G233 PolarHBondContact O-N 3Å; W230-V234 PolarHBondContact O-N 2.96Å; W230-F246 AromaticContact CH2-CE2 3.76Å; W230-F246 HydrophobicContact CH2-CE2 3.76Å; W230-F246 HydrophobicContact CH2-CZ 4.32Å; W230-F246 AromaticContact CZ2-CD2 3.83Å; W230-F246 HydrophobicContact CZ2-CD2 3.83Å; W230-F246 AromaticContact CZ2-CE2 3.44Å; W230-F246 HydrophobicContact CZ2-CE2 3.44Å; W230-F246 VanDerWaalsContact CZ2-CE2 3.44Å; W230-F246 HydrophobicContact CZ2-CZ 4.39Å; W230-I252 HydrophobicContact CZ2-CG2 3.89Å; W230-L276 HydrophobicContact CD2-CD2 3.56Å; W230-L276 HydrophobicContact CE3-CB 4.28Å; W230-L276 HydrophobicContact CE3-CD2 3.8Å; W230-L276 HydrophobicContact CG-CD2 3.98Å; W230-L276 HydrophobicContact CH2-CB 4.44Å; W230-L276 HydrophobicContact CH2-CD2 4.27Å; W230-L276 HydrophobicContact CZ2-CD2 4.05Å; W230-L276 HydrophobicContact CZ3-CB 4.07Å; W230-L276 HydrophobicContact CZ3-CD2 4.16Å; W230-L276 WeakPolarHBondContact CZ3-O 3.34Å; W230-L276 VanDerWaalsContact O-CD2 3.27Å; W230-L276 WeakPolarHBondContact O-CD2 3.46Å; W230-M278 HydrophobicContact CH2-SD 4.11Å; W230-M278 HydrophobicContact CZ3-SD 4.18Å |
| 231 | S | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 19.3 Ų | 19.3 | 3% | 0.028 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.7 | -38 | 177.7 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | Y211 A227 E228 G233 V234 L235 | Y211-S231 PolarHBondContact O-OG 3.14Å; A227-S231 PolarHBondContact O-N 3.42Å; A227-S231 PolarHBondContact O-OG 2.72Å; E228-S231 PolarHBondContact O-N 2.81Å; S231-G233 VanDerWaalsContact C-N 3.32Å; S231-G233 PolarHBondContact O-N 3.42Å; S231-V234 WeakPolarHBondContact O-CB 3.48Å; S231-V234 PolarHBondContact O-N 3.42Å; S231-L235 WeakPolarHBondContact O-CB 3.21Å; S231-L235 PolarHBondContact O-N 3.2Å |
| 232 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.6 | -37.1 | 169.7 | -76.3 | 173.7 | 0 | 0 | 0 | 112.8 | F152 L155 L159 I172 E228 W230 L235 L236 L286 I289 | F152-L232 HydrophobicContact CE2-CB 4.16Å; F152-L232 HydrophobicContact CE2-CD2 3.89Å; F152-L232 WeakPolarHBondContact CE2-O 3.5Å; F152-L232 HydrophobicContact CZ-CB 3.92Å; F152-L232 HydrophobicContact CZ-CD2 4.25Å; L155-L232 HydrophobicContact CD2-CD2 3.42Å; L155-L232 VanDerWaalsContact CD2-CD2 3.42Å; L155-L232 HydrophobicContact CG-CD2 3.94Å; L159-L232 HydrophobicContact CD1-CD1 3.82Å; L159-L232 HydrophobicContact CD1-CD2 3.85Å; L159-L232 HydrophobicContact CD1-CG 4.11Å; I172-L232 HydrophobicContact CG2-CD2 4.13Å; E228-L232 WeakPolarHBondContact O-CG 3.45Å; E228-L232 PolarHBondContact O-N 3.36Å; W230-L232 VanDerWaalsContact C-N 3.3Å; W230-L232 PolarHBondContact O-N 3.1Å; L232-L235 PolarHBondContact O-N 2.82Å; L232-L236 WeakPolarHBondContact O-CB 3.46Å; L232-L236 PolarHBondContact O-N 2.87Å; L232-L286 HydrophobicContact CD1-CD2 3.59Å; L232-I289 HydrophobicContact CD1-CD1 4.34Å |
| 233 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.3 | -37.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V229 W230 S231 Y237 | V229-G233 PolarHBondContact O-N 2.87Å; W230-G233 WeakPolarHBondContact O-CA 3.33Å; W230-G233 PolarHBondContact O-N 3Å; S231-G233 VanDerWaalsContact C-N 3.32Å; S231-G233 PolarHBondContact O-N 3.42Å; G233-Y237 PolarHBondContact O-N 2.73Å; G233-Y237 VanDerWaalsContact O-N 3.15Å |
| 234 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.9 | -47.6 | 173.4 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | Y211 W230 S231 Y237 D238 I244 P245 L276 | Y211-V234 HydrophobicContact CD1-CB 3.65Å; Y211-V234 HydrophobicContact CD1-CG1 3.45Å; Y211-V234 VanDerWaalsContact CD1-CG1 3.45Å; Y211-V234 HydrophobicContact CD1-CG2 4.48Å; Y211-V234 HydrophobicContact CE1-CB 3.82Å; Y211-V234 HydrophobicContact CE1-CG1 3.42Å; Y211-V234 VanDerWaalsContact CE1-CG1 3.42Å; Y211-V234 HydrophobicContact CG-CG1 4.06Å; W230-V234 PolarHBondContact O-N 2.96Å; S231-V234 WeakPolarHBondContact O-CB 3.48Å; S231-V234 PolarHBondContact O-N 3.42Å; V234-Y237 WeakPolarHBondContact O-CB 3.21Å; V234-Y237 PolarHBondContact O-N 2.94Å; V234-D238 PolarHBondContact O-N 3.09Å; V234-I244 HydrophobicContact CG1-CB 4.36Å; V234-I244 HydrophobicContact CG1-CG2 4.13Å; V234-P245 HydrophobicContact CG1-CG 4.25Å; V234-L276 HydrophobicContact CG2-CD2 3.77Å |
| 235 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.6 | -41.8 | 179.3 | -178.4 | 60.4 | 0 | 0 | 0 | 113.1 | M133 L155 I172 D174 I177 Y211 S231 L232 Y237 D238 M239 | M133-L235 HydrophobicContact SD-CD1 4.08Å; L155-L235 HydrophobicContact CD2-CD2 3.46Å; L155-L235 VanDerWaalsContact CD2-CD2 3.46Å; I172-L235 HydrophobicContact CG2-CD2 4.18Å; D174-L235 HydrophobicContact CB-CD1 3.83Å; I177-L235 HydrophobicContact CD1-CD2 3.5Å; I177-L235 VanDerWaalsContact CD1-CD2 3.5Å; Y211-L235 HydrophobicContact CE1-CB 4.14Å; S231-L235 WeakPolarHBondContact O-CB 3.21Å; S231-L235 PolarHBondContact O-N 3.2Å; L232-L235 PolarHBondContact O-N 2.82Å; L235-Y237 VanDerWaalsContact C-N 3.34Å; L235-Y237 PolarHBondContact O-N 2.87Å; L235-D238 WeakPolarHBondContact O-CB 3.3Å; L235-D238 PolarHBondContact O-N 3.36Å; L235-M239 HydrophobicContact CD1-CE 4.43Å; L235-M239 HydrophobicContact CD2-CE 4.2Å; L235-M239 HydrophobicContact CG-CE 4.01Å; L235-M239 WeakPolarHBondContact O-CG 3.35Å; L235-M239 PolarHBondContact O-N 3.44Å |
| 236 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -67.4 | -35.4 | 177.5 | 179.2 | 59.1 | 0 | 0 | 0 | 112.2 | F152 L232 D238 M239 L240 L271 I272 W294 | F152-L236 HydrophobicContact CD2-CB 4.33Å; F152-L236 HydrophobicContact CD2-CD1 4.39Å; F152-L236 HydrophobicContact CE1-CD2 4.06Å; F152-L236 HydrophobicContact CE2-CB 3.74Å; F152-L236 HydrophobicContact CE2-CG 4.49Å; F152-L236 HydrophobicContact CZ-CB 3.93Å; F152-L236 HydrophobicContact CZ-CD2 4.06Å; F152-L236 HydrophobicContact CZ-CG 4.48Å; L232-L236 WeakPolarHBondContact O-CB 3.46Å; L232-L236 PolarHBondContact O-N 2.87Å; L236-D238 VanDerWaalsContact C-N 3.35Å; L236-M239 HydrophobicContact CD1-SD 4.39Å; L236-L240 HydrophobicContact CD1-CD1 4.08Å; L236-L240 HydrophobicContact CD1-CG 4.41Å; L236-L240 HydrophobicContact CG-CD1 4.48Å; L236-L240 WeakPolarHBondContact O-CG 3.47Å; L236-L240 PolarHBondContact O-N 2.86Å; L236-L271 HydrophobicContact CD2-CB 4.39Å; L236-L271 HydrophobicContact CD2-CD2 3.7Å; L236-L271 HydrophobicContact CD2-CG 3.87Å; L236-I272 HydrophobicContact CB-CG1 4.28Å; L236-I272 HydrophobicContact CD2-CG1 3.82Å; L236-I272 HydrophobicContact CG-CD1 4.25Å; L236-I272 HydrophobicContact CG-CG1 3.79Å; L236-W294 HydrophobicContact CD1-CH2 3.5Å; L236-W294 VanDerWaalsContact CD1-CH2 3.5Å; L236-W294 HydrophobicContact CD1-CZ2 4.39Å; L236-W294 HydrophobicContact CD1-CZ3 3.73Å; L236-W294 HydrophobicContact CD2-CZ3 4.11Å |
| 237 | Y | 98.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 12.9 Ų | 12.9 | 2% | 0.024 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.1 | -46.7 | 170.4 | 179.3 | -79.1 | 0 | 0 | 0 | 110.5 | G233 V234 L235 L240 C241 D243 P245 L257 R258 Y259 I272 | G233-Y237 PolarHBondContact O-N 2.73Å; G233-Y237 VanDerWaalsContact O-N 3.15Å; V234-Y237 WeakPolarHBondContact O-CB 3.21Å; V234-Y237 PolarHBondContact O-N 2.94Å; L235-Y237 VanDerWaalsContact C-N 3.34Å; L235-Y237 PolarHBondContact O-N 2.87Å; Y237-L240 PolarHBondContact O-N 3.09Å; Y237-C241 HydrophobicContact CD1-CB 3.84Å; Y237-C241 HydrophobicContact CE1-CB 3.57Å; Y237-C241 WeakPolarHBondContact O-CB 3.25Å; Y237-C241 PolarHBondContact O-N 3.27Å; Y237-C241 PolarHBondContact O-SG 2.77Å; Y237-D243 WeakPolarHBondContact CE1-O 3.3Å; Y237-P245 HydrophobicContact CD1-CB 3.66Å; Y237-P245 HydrophobicContact CD1-CG 3.9Å; Y237-P245 HydrophobicContact CD2-CB 3.97Å; Y237-P245 VanDerWaalsContact CE1-CA 3.47Å; Y237-P245 HydrophobicContact CE1-CB 3.71Å; Y237-P245 HydrophobicContact CE1-CG 4.41Å; Y237-P245 HydrophobicContact CE2-CB 4.03Å; Y237-P245 HydrophobicContact CG-CB 3.77Å; Y237-P245 HydrophobicContact CG-CG 3.94Å; Y237-L257 HydrophobicContact CD2-CD2 4.42Å; Y237-R258 VanDerWaalsContact OH-C 3.29Å; Y237-R258 PolarHBondContact OH-O 3.04Å; Y237-Y259 AromaticContact CD2-CD1 3.97Å; Y237-Y259 HydrophobicContact CD2-CD1 3.97Å; Y237-Y259 AromaticContact CD2-CE1 3.68Å; Y237-Y259 HydrophobicContact CD2-CE1 3.68Å; Y237-Y259 AromaticContact CE2-CD1 3.65Å; Y237-Y259 HydrophobicContact CE2-CD1 3.65Å; Y237-Y259 AromaticContact CE2-CE1 3.76Å; Y237-Y259 HydrophobicContact CE2-CE1 3.76Å; Y237-Y259 HydrophobicContact CE2-CG 4.41Å; Y237-I272 HydrophobicContact CD2-CG2 4.21Å |
| 238 | D | 97.5 | Very high | 97.5 | Very high | 6 Ų | 6 | 14.8 Ų | 14.8 | 3% | 0.032 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.9 | -54.1 | -179.7 | 179.9 | 65.2 | 0 | 0 | 0 | 112.4 | I137 V234 L235 L236 L240 C241 G242 D243 I244 | I137-D238 VanDerWaalsContact CD1-OD2 3.28Å; I137-D238 WeakPolarHBondContact CD1-OD2 3.2Å; V234-D238 PolarHBondContact O-N 3.09Å; L235-D238 WeakPolarHBondContact O-CB 3.3Å; L235-D238 PolarHBondContact O-N 3.36Å; L236-D238 VanDerWaalsContact C-N 3.35Å; D238-L240 PolarHBondContact O-N 3.28Å; D238-C241 PolarHBondContact O-N 3.44Å; D238-G242 WeakPolarHBondContact O-CA 3.37Å; D238-G242 PolarHBondContact O-N 2.86Å; D238-D243 WeakPolarHBondContact OD1-CA 3.22Å; D238-D243 PolarHBondContact OD1-N 3.33Å; D238-D243 VanDerWaalsContact OD1-N 3.1Å; D238-I244 HydrophobicContact CB-CG2 4.15Å; D238-I244 PolarHBondContact OD1-N 3.39Å |
| 239 | M | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -45.3 | -41.5 | 173.3 | -73 | 173.1 | 173.5 | 0 | 0 | 113.2 | M133 I137 L143 A148 F152 L235 L236 | M133-M239 HydrophobicContact CE-CE 3.68Å; M133-M239 HydrophobicContact SD-CE 3.39Å; M133-M239 WeakPolarHBondContact SD-CE 3.36Å; M133-M239 HydrophobicContact SD-CG 4.37Å; I137-M239 HydrophobicContact CD1-CG 4.28Å; L143-M239 WeakPolarHBondContact CB-O 3.28Å; L143-M239 HydrophobicContact CD1-CB 4.21Å; L143-M239 HydrophobicContact CD1-CG 4.26Å; L143-M239 WeakPolarHBondContact CG-O 3.4Å; L143-M239 PolarHBondContact N-O 2.85Å; A148-M239 HydrophobicContact CB-CB 4.07Å; A148-M239 HydrophobicContact CB-SD 4.16Å; F152-M239 HydrophobicContact CD2-CE 4.47Å; F152-M239 HydrophobicContact CD2-SD 4.39Å; L235-M239 HydrophobicContact CD1-CE 4.43Å; L235-M239 HydrophobicContact CD2-CE 4.2Å; L235-M239 HydrophobicContact CG-CE 4.01Å; L235-M239 WeakPolarHBondContact O-CG 3.35Å; L235-M239 PolarHBondContact O-N 3.44Å; L236-M239 HydrophobicContact CD1-SD 4.39Å |
| 240 | L | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -91.9 | -18 | -175.6 | -64.1 | 179 | 0 | 0 | 0 | 114.3 | E145 A148 L236 Y237 D238 R261 I264 A268 I272 W294 | E145-L240 HydrophobicContact CG-CD2 3.95Å; A148-L240 HydrophobicContact CB-CD2 3.62Å; A148-L240 HydrophobicContact CB-CG 4.22Å; L236-L240 HydrophobicContact CD1-CD1 4.08Å; L236-L240 HydrophobicContact CD1-CG 4.41Å; L236-L240 HydrophobicContact CG-CD1 4.48Å; L236-L240 WeakPolarHBondContact O-CG 3.47Å; L236-L240 PolarHBondContact O-N 2.86Å; Y237-L240 PolarHBondContact O-N 3.09Å; D238-L240 PolarHBondContact O-N 3.28Å; L240-R261 VanDerWaalsContact O-CD 3.22Å; L240-R261 WeakPolarHBondContact O-CD 3.45Å; L240-R261 PolarHBondContact O-NH1 2.95Å; L240-I264 HydrophobicContact CB-CD1 4.01Å; L240-I264 HydrophobicContact CD1-CG2 4.42Å; L240-A268 HydrophobicContact CD1-CB 4Å; L240-I272 HydrophobicContact CD1-CD1 4.26Å; L240-W294 HydrophobicContact CD1-CZ2 4.18Å |
| 241 | C | 95.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -118.8 | -5.5 | -174 | -59 | 0 | 0 | 0 | 0 | 115.1 | M142 Y237 D238 D243 R260 I264 | M142-C241 WeakPolarHBondContact CE-O 3.2Å; Y237-C241 HydrophobicContact CD1-CB 3.84Å; Y237-C241 HydrophobicContact CE1-CB 3.57Å; Y237-C241 WeakPolarHBondContact O-CB 3.25Å; Y237-C241 PolarHBondContact O-N 3.27Å; Y237-C241 PolarHBondContact O-SG 2.77Å; D238-C241 PolarHBondContact O-N 3.44Å; C241-D243 VanDerWaalsContact C-N 3.28Å; C241-D243 PolarHBondContact O-N 3.02Å; C241-R260 PolarHBondContact O-NE 2.83Å; C241-I264 VanDerWaalsContact SG-CD1 3.58Å |
| 242 | G | 94.5 | Very high | 97.3 | Very high | 33 Ų | 33 | 26.7 Ų | 26.7 | 34% | 0.34 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 66.3 | 19.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116 | D238 | D238-G242 WeakPolarHBondContact O-CA 3.37Å; D238-G242 PolarHBondContact O-N 2.86Å |
| 243 | D | 94.7 | Very high | 97.2 | Very high | 68 Ų | 68 | 30 Ų | 30 | 36% | 0.364 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 176.3 | 153.1 | 170.9 | 152.9 | 61.3 | 0 | 0 | 0 | 107.7 | Y237 D238 C241 R260 | Y237-D243 WeakPolarHBondContact CE1-O 3.3Å; D238-D243 WeakPolarHBondContact OD1-CA 3.22Å; D238-D243 PolarHBondContact OD1-N 3.33Å; D238-D243 VanDerWaalsContact OD1-N 3.1Å; C241-D243 VanDerWaalsContact C-N 3.28Å; C241-D243 PolarHBondContact O-N 3.02Å; D243-R260 VanDerWaalsContact C-NH2 3.27Å; D243-R260 VanDerWaalsContact CG-NH2 3.28Å; D243-R260 PolarHBondContact O-NH2 2.87Å; D243-R260 IonicContact OD2-CZ 3.15Å; D243-R260 IonicContact OD2-NH1 2.67Å; D243-R260 PolarHBondContact OD2-NH1 2.76Å; D243-R260 IonicContact OD2-NH2 3.98Å; D243-R260 PolarHBondContact OD2-NH2 3.41Å |
| 244 | I | 96.8 | Very high | 97.1 | Very high | 29 Ų | 29 | 32.5 Ų | 32.5 | 15% | 0.149 | 19% | 0.19 | C | C | . | . | trans | -65.1 | 156.8 | -167.7 | 57.9 | 175.7 | 0 | 0 | 0 | 114.9 | V210 Y211 V234 D238 F246 V247 | V210-I244 HydrophobicContact CB-CD1 3.87Å; V210-I244 HydrophobicContact CG1-CD1 4.34Å; V210-I244 HydrophobicContact CG2-CD1 3.68Å; Y211-I244 HydrophobicContact CE2-CG2 4.36Å; V234-I244 HydrophobicContact CG1-CB 4.36Å; V234-I244 HydrophobicContact CG1-CG2 4.13Å; D238-I244 HydrophobicContact CB-CG2 4.15Å; D238-I244 PolarHBondContact OD1-N 3.39Å; I244-F246 VanDerWaalsContact CD1-O 3.3Å; I244-F246 WeakPolarHBondContact CD1-O 3.39Å; I244-V247 HydrophobicContact CD1-CG1 4.39Å; I244-V247 HydrophobicContact CG1-CG1 4.26Å | ||
| 245 | P | 97.2 | Very high | 97 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 13% | 0.13 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -75.4 | -24.9 | -178.6 | 27.9 | -32.8 | 0 | 0 | 0 | 114.5 | V234 Y237 L257 L276 | V234-P245 HydrophobicContact CG1-CG 4.25Å; Y237-P245 HydrophobicContact CD1-CB 3.66Å; Y237-P245 HydrophobicContact CD1-CG 3.9Å; Y237-P245 HydrophobicContact CD2-CB 3.97Å; Y237-P245 VanDerWaalsContact CE1-CA 3.47Å; Y237-P245 HydrophobicContact CE1-CB 3.71Å; Y237-P245 HydrophobicContact CE1-CG 4.41Å; Y237-P245 HydrophobicContact CE2-CB 4.03Å; Y237-P245 HydrophobicContact CG-CB 3.77Å; Y237-P245 HydrophobicContact CG-CG 3.94Å; P245-L257 HydrophobicContact CB-CD2 3.86Å; P245-L276 HydrophobicContact CG-CD1 4.24Å |
| 246 | F | 97.5 | Very high | 96.8 | Very high | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | trans | -136.8 | 130.4 | -170.2 | -50.3 | -53.3 | 0 | 0 | 0 | 110.8 | W230 I244 S251 I252 L257 L276 | W230-F246 AromaticContact CH2-CE2 3.76Å; W230-F246 HydrophobicContact CH2-CE2 3.76Å; W230-F246 HydrophobicContact CH2-CZ 4.32Å; W230-F246 AromaticContact CZ2-CD2 3.83Å; W230-F246 HydrophobicContact CZ2-CD2 3.83Å; W230-F246 AromaticContact CZ2-CE2 3.44Å; W230-F246 HydrophobicContact CZ2-CE2 3.44Å; W230-F246 VanDerWaalsContact CZ2-CE2 3.44Å; W230-F246 HydrophobicContact CZ2-CZ 4.39Å; I244-F246 VanDerWaalsContact CD1-O 3.3Å; I244-F246 WeakPolarHBondContact CD1-O 3.39Å; F246-S251 WeakPolarHBondContact CA-OG 3.15Å; F246-S251 WeakPolarHBondContact CD1-O 3.43Å; F246-I252 HydrophobicContact CB-CG1 3.7Å; F246-I252 HydrophobicContact CD2-CG1 4.37Å; F246-I252 HydrophobicContact CG-CG1 4.22Å; F246-L257 HydrophobicContact CE1-CD2 4.07Å; F246-L257 HydrophobicContact CE2-CD2 4.3Å; F246-L257 HydrophobicContact CZ-CD2 3.57Å; F246-L276 HydrophobicContact CE2-CD1 4.1Å; F246-L276 HydrophobicContact CE2-CD2 4.41Å; F246-L276 HydrophobicContact CZ-CD1 4.49Å | ||
| 247 | V | 95.7 | Very high | 96.7 | Very high | 87 Ų | 87 | 42.7 Ų | 42.7 | 53% | 0.527 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -119.9 | 3.3 | -174.9 | -58.5 | 0 | 0 | 0 | 0 | 113.6 | I244 S251 | I244-V247 HydrophobicContact CD1-CG1 4.39Å; I244-V247 HydrophobicContact CG1-CG1 4.26Å; V247-S251 PolarHBondContact N-OG 2.6Å; V247-S251 VanDerWaalsContact N-OG 3.09Å |
| 248 | N | 96.4 | Very high | 96.4 | Very high | 45 Ų | 45 | 51.4 Ų | 51.4 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -164.3 | 160.3 | 175 | 55.3 | 71.5 | 0 | 0 | 0 | 111.8 | K250 S251 I252 Y499 | N248-K250 PolarHBondContact O-N 3.33Å; N248-K250 VanDerWaalsContact O-N 3.11Å; N248-K250 WeakPolarHBondContact OD1-CB 3.37Å; N248-K250 PolarHBondContact OD1-N 2.61Å; N248-S251 PolarHBondContact N-OG 2.7Å; N248-S251 VanDerWaalsContact N-OG 3.13Å; N248-S251 WeakPolarHBondContact O-CA 3.38Å; N248-S251 PolarHBondContact O-N 2.97Å; N248-S251 PolarHBondContact O-OG 3.28Å; N248-S251 PolarHBondContact OD1-N 2.89Å; N248-I252 PolarHBondContact O-N 2.76Å; N248-Y499 HydrophobicContact CB-CE1 4.11Å; N248-Y499 WeakPolarHBondContact CB-OH 3.11Å |
| 249 | D | 97.5 | Very high | 96.3 | Very high | 52 Ų | 52 | 53.9 Ų | 53.9 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -43.5 | -44.1 | 176.6 | -63.5 | 22.6 | 0 | 0 | 0 | 113.8 | R209 I217 S251 I252 I253 | R209-D249 IonicContact CZ-OD1 2.69Å; R209-D249 IonicContact CZ-OD2 2.7Å; R209-D249 IonicContact NE-OD1 4Å; R209-D249 PolarHBondContact NE-OD1 2.77Å; R209-D249 IonicContact NE-OD2 3.1Å; R209-D249 PolarHBondContact NE-OD2 3.04Å; R209-D249 IonicContact NH2-OD1 3.75Å; R209-D249 IonicContact NH2-OD2 2.74Å; R209-D249 PolarHBondContact NH2-OD2 3.3Å; I217-D249 HydrophobicContact CG2-CB 3.81Å; D249-S251 VanDerWaalsContact C-N 3.33Å; D249-S251 PolarHBondContact O-N 3.38Å; D249-I252 PolarHBondContact O-N 3.01Å; D249-I253 WeakPolarHBondContact O-CB 3.33Å; D249-I253 VanDerWaalsContact O-CG1 3.25Å; D249-I253 WeakPolarHBondContact O-CG1 3.5Å; D249-I253 PolarHBondContact O-N 2.73Å |
| 250 | K | 97.3 | Very high | 95.5 | Very high | 178 Ų | 178 | 60 Ų | 60 | 77% | 0.774 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.2 | -32.7 | -179.8 | -177.4 | 174.8 | -179.6 | 174.2 | 0 | 112.7 | N248 G254 | N248-K250 PolarHBondContact O-N 3.33Å; N248-K250 VanDerWaalsContact O-N 3.11Å; N248-K250 WeakPolarHBondContact OD1-CB 3.37Å; N248-K250 PolarHBondContact OD1-N 2.61Å; K250-G254 PolarHBondContact O-N 3.39Å; K250-G254 VanDerWaalsContact O-N 3.1Å |
| 251 | S | 97.1 | Very high | 94.9 | Very high | 31 Ų | 31 | 62.2 Ų | 62.2 | 22% | 0.217 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -74.3 | -38 | 172.6 | 60 | 0 | 0 | 0 | 0 | 112.6 | F246 V247 N248 D249 G254 G255 | F246-S251 WeakPolarHBondContact CA-OG 3.15Å; F246-S251 WeakPolarHBondContact CD1-O 3.43Å; V247-S251 PolarHBondContact N-OG 2.6Å; V247-S251 VanDerWaalsContact N-OG 3.09Å; N248-S251 PolarHBondContact N-OG 2.7Å; N248-S251 VanDerWaalsContact N-OG 3.13Å; N248-S251 WeakPolarHBondContact O-CA 3.38Å; N248-S251 PolarHBondContact O-N 2.97Å; N248-S251 PolarHBondContact O-OG 3.28Å; N248-S251 PolarHBondContact OD1-N 2.89Å; D249-S251 VanDerWaalsContact C-N 3.33Å; D249-S251 PolarHBondContact O-N 3.38Å; S251-G254 PolarHBondContact O-N 3.19Å; S251-G255 PolarHBondContact O-N 2.85Å |
| 252 | I | 98 | Very high | 94.2 | Very high | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62 | -55.4 | 174.9 | -62.1 | 170.1 | 0 | 0 | 0 | 110.4 | P214 I217 W230 F246 N248 D249 G254 G255 | P214-I252 HydrophobicContact CB-CG2 4.18Å; I217-I252 HydrophobicContact CD1-CD1 4.32Å; I217-I252 HydrophobicContact CG1-CD1 4.3Å; I217-I252 HydrophobicContact CG1-CG2 4.04Å; W230-I252 HydrophobicContact CZ2-CG2 3.89Å; F246-I252 HydrophobicContact CB-CG1 3.7Å; F246-I252 HydrophobicContact CD2-CG1 4.37Å; F246-I252 HydrophobicContact CG-CG1 4.22Å; N248-I252 PolarHBondContact O-N 2.76Å; D249-I252 PolarHBondContact O-N 3.01Å; I252-G254 PolarHBondContact O-N 3.43Å; I252-G255 PolarHBondContact O-N 3.34Å; I252-G255 VanDerWaalsContact O-N 3.16Å |
| 253 | I | 97.7 | Very high | 94 | Very high | 70 Ų | 70 | 73.8 Ų | 73.8 | 36% | 0.359 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.3 | -31.6 | 176.8 | -63.2 | 163.7 | 0 | 0 | 0 | 111.3 | I217 L218 D249 G255 M278 | I217-I253 HydrophobicContact CB-CG1 4.47Å; I217-I253 HydrophobicContact CG2-CD1 3.77Å; I217-I253 HydrophobicContact CG2-CG1 4.01Å; L218-I253 HydrophobicContact CD2-CD1 3.79Å; L218-I253 HydrophobicContact CD2-CG1 3.93Å; L218-I253 HydrophobicContact CD2-CG2 4.13Å; L218-I253 HydrophobicContact CG-CD1 4.38Å; L218-I253 HydrophobicContact CG-CG1 4.08Å; D249-I253 WeakPolarHBondContact O-CB 3.33Å; D249-I253 VanDerWaalsContact O-CG1 3.25Å; D249-I253 WeakPolarHBondContact O-CG1 3.5Å; D249-I253 PolarHBondContact O-N 2.73Å; I253-G255 VanDerWaalsContact C-N 3.35Å; I253-M278 WeakPolarHBondContact O-CE 3.34Å |
| 254 | G | 96.6 | Very high | 94 | Very high | 52 Ų | 52 | 70.7 Ų | 70.7 | 54% | 0.536 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -75.8 | -16.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | K250 S251 I252 K256 | K250-G254 PolarHBondContact O-N 3.39Å; K250-G254 VanDerWaalsContact O-N 3.1Å; S251-G254 PolarHBondContact O-N 3.19Å; I252-G254 PolarHBondContact O-N 3.43Å; G254-K256 PolarHBondContact O-N 2.93Å |
| 255 | G | 94.9 | Very high | 94 | Very high | 23 Ų | 23 | 71.3 Ų | 71.3 | 24% | 0.237 | 36% | 0.36 | C | S | . | . | trans | 57.6 | 4.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 117 | S251 I252 I253 L257 | S251-G255 PolarHBondContact O-N 2.85Å; I252-G255 PolarHBondContact O-N 3.34Å; I252-G255 VanDerWaalsContact O-N 3.16Å; I253-G255 VanDerWaalsContact C-N 3.35Å; G255-L257 PolarHBondContact O-N 3.26Å | ||
| 256 | K | 95.5 | Very high | 94 | Very high | 155 Ų | 155 | 76.8 Ų | 76.8 | 67% | 0.674 | 38% | 0.384 | S | S | * | . | trans | -89.3 | 91.9 | -165.8 | -174.1 | 166.9 | -178.1 | 165.9 | 0 | 112.8 | G254 | G254-K256 PolarHBondContact O-N 2.93Š| ||
| 257 | L | 95.5 | Very high | 94 | Very high | 37 Ų | 37 | 78.3 Ų | 78.3 | 19% | 0.194 | 40% | 0.397 | C | S | . | . | trans | -58.6 | 147 | 171.7 | -54.5 | 177.5 | 0 | 0 | 0 | 112.5 | Y237 P245 F246 G255 Y259 I272 A273 L276 | Y237-L257 HydrophobicContact CD2-CD2 4.42Å; P245-L257 HydrophobicContact CB-CD2 3.86Å; F246-L257 HydrophobicContact CE1-CD2 4.07Å; F246-L257 HydrophobicContact CE2-CD2 4.3Å; F246-L257 HydrophobicContact CZ-CD2 3.57Å; G255-L257 PolarHBondContact O-N 3.26Å; L257-Y259 HydrophobicContact CB-CE2 4.37Å; L257-Y259 WeakPolarHBondContact CD1-OH 3.36Å; L257-I272 HydrophobicContact CD1-CG2 3.86Å; L257-A273 HydrophobicContact CD1-CB 4.36Å; L257-L276 HydrophobicContact CD1-CD1 4.46Å; L257-L276 HydrophobicContact CD2-CD1 3.59Å | ||
| 258 | R | 93.8 | Very high | 94.2 | Very high | 188 Ų | 188 | 74.1 Ų | 74.1 | 71% | 0.709 | 37% | 0.372 | S | S | * | . | trans | -147.8 | 73.5 | -179.3 | -65.5 | -169 | -173.3 | -157.5 | 5.9 | 112.1 | Y237 R260 | Y237-R258 VanDerWaalsContact OH-C 3.29Å; Y237-R258 PolarHBondContact OH-O 3.04Å; R258-R260 PolarHBondContact O-N 3.36Å; R258-R260 VanDerWaalsContact O-N 3.16Å | ||
| 259 | Y | 93.9 | Very high | 94.2 | Very high | 58 Ų | 58 | 73.8 Ų | 73.8 | 23% | 0.227 | 37% | 0.369 | C | S | . | . | trans | -48.8 | 121.3 | 177.2 | -53.9 | -73.9 | 0 | 0 | 0 | 111.8 | Y237 L257 R261 I264 K269 I272 | Y237-Y259 AromaticContact CD2-CD1 3.97Å; Y237-Y259 HydrophobicContact CD2-CD1 3.97Å; Y237-Y259 AromaticContact CD2-CE1 3.68Å; Y237-Y259 HydrophobicContact CD2-CE1 3.68Å; Y237-Y259 AromaticContact CE2-CD1 3.65Å; Y237-Y259 HydrophobicContact CE2-CD1 3.65Å; Y237-Y259 AromaticContact CE2-CE1 3.76Å; Y237-Y259 HydrophobicContact CE2-CE1 3.76Å; Y237-Y259 HydrophobicContact CE2-CG 4.41Å; L257-Y259 HydrophobicContact CB-CE2 4.37Å; L257-Y259 WeakPolarHBondContact CD1-OH 3.36Å; Y259-R261 PolarHBondContact O-N 2.87Å; Y259-I264 HydrophobicContact CD1-CD1 3.94Å; Y259-K269 HydrophobicContact CD2-CD 4.37Å; Y259-K269 HydrophobicContact CD2-CG 4.13Å; Y259-K269 HydrophobicContact CE1-CG 4.11Å; Y259-K269 HydrophobicContact CE2-CB 4.13Å; Y259-K269 HydrophobicContact CE2-CD 4.26Å; Y259-K269 HydrophobicContact CE2-CG 3.71Å; Y259-K269 WeakPolarHBondContact OH-CA 3.3Å; Y259-K269 PolarHBondContact OH-O 3.12Å; Y259-I272 HydrophobicContact CE1-CD1 3.94Å | ||
| 260 | R | 81.8 | Confident | 94.3 | Very high | 130 Ų | 130 | 76.5 Ų | 76.5 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -76.4 | -7.8 | 174.8 | -78.3 | -177 | -80.5 | -120.3 | -19.5 | 113.7 | C241 D243 R258 | C241-R260 PolarHBondContact O-NE 2.83Å; D243-R260 VanDerWaalsContact C-NH2 3.27Å; D243-R260 VanDerWaalsContact CG-NH2 3.28Å; D243-R260 PolarHBondContact O-NH2 2.87Å; D243-R260 IonicContact OD2-CZ 3.15Å; D243-R260 IonicContact OD2-NH1 2.67Å; D243-R260 PolarHBondContact OD2-NH1 2.76Å; D243-R260 IonicContact OD2-NH2 3.98Å; D243-R260 PolarHBondContact OD2-NH2 3.41Å; R258-R260 PolarHBondContact O-N 3.36Å; R258-R260 VanDerWaalsContact O-N 3.16Å |
| 261 | R | 83.6 | Confident | 94.3 | Very high | 45 Ų | 45 | 68.1 Ų | 68.1 | 17% | 0.17 | 34% | 0.343 | C | S | . | . | trans | -128.4 | 115.5 | -164.8 | 177.3 | -176.4 | 179.2 | 173.7 | 6 | 109.2 | M142 L143 L240 Y259 N263 I264 | M142-R261 HydrophobicContact SD-CB 4Å; M142-R261 HydrophobicContact SD-CG 4.2Å; L143-R261 PolarHBondContact O-NH1 3.24Å; L143-R261 PolarHBondContact O-NH2 3.37Å; L240-R261 VanDerWaalsContact O-CD 3.22Å; L240-R261 WeakPolarHBondContact O-CD 3.45Å; L240-R261 PolarHBondContact O-NH1 2.95Å; Y259-R261 PolarHBondContact O-N 2.87Å; R261-N263 VanDerWaalsContact C-N 3.34Å; R261-N263 WeakPolarHBondContact CG-OD1 3.37Å; R261-N263 PolarHBondContact NE-OD1 3.41Å; R261-N263 PolarHBondContact O-N 3.31Å; R261-I264 HydrophobicContact CB-CD1 4Å; R261-I264 HydrophobicContact CB-CG1 4.09Å; R261-I264 HydrophobicContact CG-CD1 4.33Å; R261-I264 HydrophobicContact CG-CG1 3.91Å | ||
| 262 | D | 81.5 | Confident | 94.4 | Very high | 158 Ų | 158 | 66.6 Ų | 66.6 | 85% | 0.845 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -33.1 | -174.1 | -60.2 | -48.2 | 0 | 0 | 0 | 113 | I264 | D262-I264 VanDerWaalsContact C-N 3.3Å; D262-I264 PolarHBondContact O-N 3Å |
| 263 | N | 90 | Very high | 94.4 | Very high | 119 Ų | 119 | 68.9 Ų | 68.9 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 26.3 | -173.8 | 73.5 | -19.5 | 0 | 0 | 0 | 115.2 | R261 | R261-N263 VanDerWaalsContact C-N 3.34Å; R261-N263 WeakPolarHBondContact CG-OD1 3.37Å; R261-N263 PolarHBondContact NE-OD1 3.41Å; R261-N263 PolarHBondContact O-N 3.31Å |
| 264 | I | 95.7 | Very high | 94.5 | Very high | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | trans | -82.2 | 131.3 | 164.4 | -60.6 | 176.6 | 0 | 0 | 0 | 108.5 | L240 C241 Y259 R261 D262 A268 K269 | L240-I264 HydrophobicContact CB-CD1 4.01Å; L240-I264 HydrophobicContact CD1-CG2 4.42Å; C241-I264 VanDerWaalsContact SG-CD1 3.58Å; Y259-I264 HydrophobicContact CD1-CD1 3.94Å; R261-I264 HydrophobicContact CB-CD1 4Å; R261-I264 HydrophobicContact CB-CG1 4.09Å; R261-I264 HydrophobicContact CG-CD1 4.33Å; R261-I264 HydrophobicContact CG-CG1 3.91Å; D262-I264 VanDerWaalsContact C-N 3.3Å; D262-I264 PolarHBondContact O-N 3Å; I264-A268 HydrophobicContact CG2-CB 3.61Å; I264-K269 HydrophobicContact CG2-CG 3.93Å; I264-K269 WeakPolarHBondContact O-CE 3.23Å; I264-K269 PolarHBondContact O-NZ 2.94Å | ||
| 265 | S | 96.9 | Very high | 94.6 | Very high | 41 Ų | 41 | 64.1 Ų | 64.1 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | trans | -66.9 | 150.8 | -179.2 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | E145 A267 A268 K269 | E145-S265 WeakPolarHBondContact OE1-CB 3.45Å; E145-S265 PolarHBondContact OE1-N 3.33Å; E145-S265 PolarHBondContact OE1-OG 3.19Å; E145-S265 WeakPolarHBondContact OE2-CB 3.49Å; E145-S265 PolarHBondContact OE2-OG 3.02Å; S265-A267 PolarHBondContact O-N 3.32Å; S265-A268 WeakPolarHBondContact O-CB 3.21Å; S265-A268 PolarHBondContact O-N 3.24Å; S265-A268 VanDerWaalsContact O-N 3.13Å; S265-A268 WeakPolarHBondContact OG-CB 2.87Å; S265-A268 PolarHBondContact OG-N 3.43Å; S265-K269 WeakPolarHBondContact O-CG 3.27Å; S265-K269 PolarHBondContact O-N 3.01Å | ||
| 266 | E | 97.1 | Very high | 94.8 | Very high | 135 Ų | 135 | 63.5 Ų | 63.5 | 63% | 0.631 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63 | -26.1 | 175.4 | -59.8 | -50.6 | 126.9 | 0 | 0 | 112.3 | K269 H270 | E266-K269 WeakPolarHBondContact OE1-CD 3.4Å; E266-K269 IonicContact OE1-NZ 2.67Å; E266-K269 PolarHBondContact OE1-NZ 3.08Å; E266-K269 WeakPolarHBondContact OE2-CD 3.42Å; E266-H270 VanDerWaalsContact O-CB 3.24Å; E266-H270 WeakPolarHBondContact O-CB 3.34Å; E266-H270 PolarHBondContact O-N 3.18Å |
| 267 | A | 98.1 | Very high | 94.9 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.4 | -44.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S265 H270 L271 H292 W294 | S265-A267 PolarHBondContact O-N 3.32Å; A267-H270 PolarHBondContact O-N 3.45Å; A267-L271 PolarHBondContact O-N 3.09Å; A267-H292 VanDerWaalsContact CA-CE1 3.43Å; A267-H292 WeakPolarHBondContact CA-CE1 3.42Å; A267-H292 PolarHBondContact O-CE1 3.1Å; A267-W294 HydrophobicContact CB-CB 3.93Å; A267-W294 HydrophobicContact CB-CG 4.43Å |
| 268 | A | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L240 I264 S265 H270 L271 I272 W294 | L240-A268 HydrophobicContact CD1-CB 4Å; I264-A268 HydrophobicContact CG2-CB 3.61Å; S265-A268 WeakPolarHBondContact O-CB 3.21Å; S265-A268 PolarHBondContact O-N 3.24Å; S265-A268 VanDerWaalsContact O-N 3.13Å; S265-A268 WeakPolarHBondContact OG-CB 2.87Å; S265-A268 PolarHBondContact OG-N 3.43Å; A268-H270 VanDerWaalsContact C-N 3.28Å; A268-H270 PolarHBondContact O-N 3.14Å; A268-L271 PolarHBondContact O-N 3.12Å; A268-I272 WeakPolarHBondContact O-CG1 3.41Å; A268-I272 PolarHBondContact O-N 3.02Å; A268-W294 HydrophobicContact CB-CD2 4.41Å; A268-W294 HydrophobicContact CB-CG 4.26Å |
| 269 | K | 98.2 | Very high | 95.2 | Very high | 37 Ų | 37 | 53.6 Ų | 53.6 | 16% | 0.161 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.5 | -39.2 | 176.9 | -67.3 | 165.4 | 176.6 | 149 | 0 | 111.9 | Y259 I264 S265 E266 A273 | Y259-K269 HydrophobicContact CD2-CD 4.37Å; Y259-K269 HydrophobicContact CD2-CG 4.13Å; Y259-K269 HydrophobicContact CE1-CG 4.11Å; Y259-K269 HydrophobicContact CE2-CB 4.13Å; Y259-K269 HydrophobicContact CE2-CD 4.26Å; Y259-K269 HydrophobicContact CE2-CG 3.71Å; Y259-K269 WeakPolarHBondContact OH-CA 3.3Å; Y259-K269 PolarHBondContact OH-O 3.12Å; I264-K269 HydrophobicContact CG2-CG 3.93Å; I264-K269 WeakPolarHBondContact O-CE 3.23Å; I264-K269 PolarHBondContact O-NZ 2.94Å; S265-K269 WeakPolarHBondContact O-CG 3.27Å; S265-K269 PolarHBondContact O-N 3.01Å; E266-K269 WeakPolarHBondContact OE1-CD 3.4Å; E266-K269 IonicContact OE1-NZ 2.67Å; E266-K269 PolarHBondContact OE1-NZ 3.08Å; E266-K269 WeakPolarHBondContact OE2-CD 3.42Å; K269-A273 VanDerWaalsContact O-CB 3.27Å; K269-A273 WeakPolarHBondContact O-CB 3.45Å; K269-A273 PolarHBondContact O-N 3.28Å |
| 270 | H | 98.2 | Very high | 95.4 | Very high | 110 Ų | 110 | 52.4 Ų | 52.4 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 176.4 | -172.4 | -66.7 | 0 | 0 | 0 | 112 | E266 A267 A268 A273 S274 H292 | E266-H270 VanDerWaalsContact O-CB 3.24Å; E266-H270 WeakPolarHBondContact O-CB 3.34Å; E266-H270 PolarHBondContact O-N 3.18Å; A267-H270 PolarHBondContact O-N 3.45Å; A268-H270 VanDerWaalsContact C-N 3.28Å; A268-H270 PolarHBondContact O-N 3.14Å; H270-A273 PolarHBondContact O-N 3.31Å; H270-S274 PolarHBondContact CE1-OG 2.82Å; H270-S274 PolarHBondContact ND1-OG 3.14Å; H270-S274 WeakPolarHBondContact O-CB 3.48Å; H270-S274 PolarHBondContact O-N 3.13Å; H270-S274 PolarHBondContact O-OG 2.9Å; H270-H292 AromaticContact CD2-NE2 3.99Å; H270-H292 AromaticContact CE1-NE2 3.05Å; H270-H292 PolarHBondContact CE1-NE2 2.69Å; H270-H292 AromaticContact CG-NE2 3.01Å; H270-H292 AromaticContact ND1-NE2 2.22Å; H270-H292 PolarHBondContact ND1-NE2 2.86Å |
| 271 | L | 98.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 176.6 | -178.3 | 54.6 | 0 | 0 | 0 | 110.9 | F152 L236 A267 A268 A273 S274 C275 I289 H292 W294 M295 | F152-L271 HydrophobicContact CE1-CD2 4.33Å; L236-L271 HydrophobicContact CD2-CB 4.39Å; L236-L271 HydrophobicContact CD2-CD2 3.7Å; L236-L271 HydrophobicContact CD2-CG 3.87Å; A267-L271 PolarHBondContact O-N 3.09Å; A268-L271 PolarHBondContact O-N 3.12Å; L271-A273 VanDerWaalsContact C-N 3.34Å; L271-A273 PolarHBondContact O-N 2.83Å; L271-S274 WeakPolarHBondContact O-CB 3.11Å; L271-S274 PolarHBondContact O-N 3.05Å; L271-C275 PolarHBondContact O-N 2.87Å; L271-C275 PolarHBondContact O-SG 3.21Å; L271-I289 HydrophobicContact CD1-CG1 4.3Å; L271-I289 HydrophobicContact CD1-CG2 4.47Å; L271-H292 HydrophobicContact CD1-CB 4.03Å; L271-W294 HydrophobicContact CD2-CD2 4.43Å; L271-W294 HydrophobicContact CD2-CE3 3.58Å; L271-W294 HydrophobicContact CD2-CZ3 4.18Å; L271-M295 HydrophobicContact CD2-CG 4Å |
| 272 | I | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56 | -48.3 | 176.4 | -67 | 167.2 | 0 | 0 | 0 | 110.8 | L236 Y237 L240 L257 Y259 A268 S274 C275 L276 | L236-I272 HydrophobicContact CB-CG1 4.28Å; L236-I272 HydrophobicContact CD2-CG1 3.82Å; L236-I272 HydrophobicContact CG-CD1 4.25Å; L236-I272 HydrophobicContact CG-CG1 3.79Å; Y237-I272 HydrophobicContact CD2-CG2 4.21Å; L240-I272 HydrophobicContact CD1-CD1 4.26Å; L257-I272 HydrophobicContact CD1-CG2 3.86Å; Y259-I272 HydrophobicContact CE1-CD1 3.94Å; A268-I272 WeakPolarHBondContact O-CG1 3.41Å; A268-I272 PolarHBondContact O-N 3.02Å; I272-S274 VanDerWaalsContact C-N 3.27Å; I272-S274 PolarHBondContact O-N 2.22Å; I272-C275 PolarHBondContact O-N 3.38Å; I272-L276 HydrophobicContact CG2-CD1 3.79Å; I272-L276 HydrophobicContact CG2-CG 4.47Å; I272-L276 VanDerWaalsContact O-CB 3.3Å; I272-L276 WeakPolarHBondContact O-CB 3.3Å; I272-L276 WeakPolarHBondContact O-CG 3.21Å; I272-L276 PolarHBondContact O-N 2.88Å |
| 273 | A | 98.4 | Very high | 97.7 | Very high | 48 Ų | 48 | 47.8 Ų | 47.8 | 40% | 0.397 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67 | -25.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L257 K269 H270 L271 N277 | L257-A273 HydrophobicContact CD1-CB 4.36Å; K269-A273 VanDerWaalsContact O-CB 3.27Å; K269-A273 WeakPolarHBondContact O-CB 3.45Å; K269-A273 PolarHBondContact O-N 3.28Å; H270-A273 PolarHBondContact O-N 3.31Å; L271-A273 VanDerWaalsContact C-N 3.34Å; L271-A273 PolarHBondContact O-N 2.83Å; A273-N277 PolarHBondContact O-N 2.66Å |
| 274 | S | 98.6 | Very high | 98.1 | Very high | 23 Ų | 23 | 43 Ų | 43 | 16% | 0.161 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -75.8 | -44.1 | 175 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | H270 L271 I272 N277 P284 | H270-S274 PolarHBondContact CE1-OG 2.82Å; H270-S274 PolarHBondContact ND1-OG 3.14Å; H270-S274 WeakPolarHBondContact O-CB 3.48Å; H270-S274 PolarHBondContact O-N 3.13Å; H270-S274 PolarHBondContact O-OG 2.9Å; L271-S274 WeakPolarHBondContact O-CB 3.11Å; L271-S274 PolarHBondContact O-N 3.05Å; I272-S274 VanDerWaalsContact C-N 3.27Å; I272-S274 PolarHBondContact O-N 2.22Å; S274-N277 WeakPolarHBondContact O-CB 3.45Å; S274-N277 PolarHBondContact O-N 3.43Å; S274-P284 VanDerWaalsContact O-CD 3.27Å; S274-P284 WeakPolarHBondContact O-CD 3.35Å |
| 275 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 174.6 | -65.4 | 0 | 0 | 0 | 0 | 111.9 | V229 L271 I272 N277 R283 | V229-C275 HydrophobicContact CG1-CB 4.04Å; V229-C275 WeakPolarHBondContact O-CB 3.16Å; L271-C275 PolarHBondContact O-N 2.87Å; L271-C275 PolarHBondContact O-SG 3.21Å; I272-C275 PolarHBondContact O-N 3.38Å; C275-N277 PolarHBondContact O-N 2.92Å; C275-R283 VanDerWaalsContact O-CD 3.3Å; C275-R283 WeakPolarHBondContact O-CD 3.39Å; C275-R283 WeakPolarHBondContact O-CG 3.42Å |
| 276 | L | 98.7 | Very high | 98.3 | Very high | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 32.5 | 177.9 | -60.5 | 178.9 | 0 | 0 | 0 | 113.2 | W230 V234 P245 F246 L257 I272 | W230-L276 HydrophobicContact CD2-CD2 3.56Å; W230-L276 HydrophobicContact CE3-CB 4.28Å; W230-L276 HydrophobicContact CE3-CD2 3.8Å; W230-L276 HydrophobicContact CG-CD2 3.98Å; W230-L276 HydrophobicContact CH2-CB 4.44Å; W230-L276 HydrophobicContact CH2-CD2 4.27Å; W230-L276 HydrophobicContact CZ2-CD2 4.05Å; W230-L276 HydrophobicContact CZ3-CB 4.07Å; W230-L276 HydrophobicContact CZ3-CD2 4.16Å; W230-L276 WeakPolarHBondContact CZ3-O 3.34Å; W230-L276 VanDerWaalsContact O-CD2 3.27Å; W230-L276 WeakPolarHBondContact O-CD2 3.46Å; V234-L276 HydrophobicContact CG2-CD2 3.77Å; P245-L276 HydrophobicContact CG-CD1 4.24Å; F246-L276 HydrophobicContact CE2-CD1 4.1Å; F246-L276 HydrophobicContact CE2-CD2 4.41Å; F246-L276 HydrophobicContact CZ-CD1 4.49Å; L257-L276 HydrophobicContact CD1-CD1 4.46Å; L257-L276 HydrophobicContact CD2-CD1 3.59Å; I272-L276 HydrophobicContact CG2-CD1 3.79Å; I272-L276 HydrophobicContact CG2-CG 4.47Å; I272-L276 VanDerWaalsContact O-CB 3.3Å; I272-L276 WeakPolarHBondContact O-CB 3.3Å; I272-L276 WeakPolarHBondContact O-CG 3.21Å; I272-L276 PolarHBondContact O-N 2.88Å |
| 277 | N | 98.5 | Very high | 98.3 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 26% | 0.257 | 23% | 0.225 | S | C | . | . | trans | -69.7 | 133.6 | 174.5 | -155.8 | -45.2 | 0 | 0 | 0 | 110.6 | A273 S274 C275 D279 K282 R283 | A273-N277 PolarHBondContact O-N 2.66Å; S274-N277 WeakPolarHBondContact O-CB 3.45Å; S274-N277 PolarHBondContact O-N 3.43Å; C275-N277 PolarHBondContact O-N 2.92Å; N277-D279 PolarHBondContact O-N 3.06Å; N277-D279 PolarHBondContact OD1-N 3.37Å; N277-D279 VanDerWaalsContact OD1-N 3.12Å; N277-K282 HydrophobicContact CB-CB 4.36Å; N277-K282 VanDerWaalsContact ND2-CB 3.3Å; N277-K282 WeakPolarHBondContact ND2-CB 3.47Å; N277-R283 HydrophobicContact CB-CG 3.94Å; N277-R283 PolarHBondContact O-NE 2.94Å; N277-R283 PolarHBondContact O-NH2 2.78Å | ||
| 278 | M | 97.9 | Very high | 98.3 | Very high | 74 Ų | 74 | 42.9 Ų | 42.9 | 37% | 0.365 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -65.9 | -25.1 | 177.7 | -62.6 | -56.8 | -60.7 | 0 | 0 | 112.5 | P214 W230 I253 | P214-M278 HydrophobicContact CB-CE 3.51Å; P214-M278 HydrophobicContact CB-SD 4.45Å; P214-M278 HydrophobicContact CG-CE 3.67Å; P214-M278 HydrophobicContact CG-SD 4.08Å; W230-M278 HydrophobicContact CH2-SD 4.11Å; W230-M278 HydrophobicContact CZ3-SD 4.18Å; I253-M278 WeakPolarHBondContact O-CE 3.34Å |
| 279 | D | 97.9 | Very high | 98.4 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -92.7 | 114.4 | 171.4 | -176 | -20.3 | 0 | 0 | 0 | 109.8 | N277 S281 K282 | N277-D279 PolarHBondContact O-N 3.06Å; N277-D279 PolarHBondContact OD1-N 3.37Å; N277-D279 VanDerWaalsContact OD1-N 3.12Å; D279-S281 VanDerWaalsContact CG-OG 3.24Å; D279-S281 PolarHBondContact O-N 2.92Å; D279-S281 WeakPolarHBondContact OD1-CB 3.28Å; D279-S281 PolarHBondContact OD1-N 3.39Å; D279-S281 PolarHBondContact OD1-OG 2.97Å; D279-S281 PolarHBondContact OD2-OG 3.24Å; D279-K282 HydrophobicContact CB-CB 4.24Å; D279-K282 HydrophobicContact CB-CD 4.14Å; D279-K282 HydrophobicContact CB-CG 4.03Å; D279-K282 PolarHBondContact O-N 2.94Å; D279-K282 IonicContact OD2-NZ 3.54Å; D279-K282 PolarHBondContact OD2-NZ 3.36Å |
| 280 | P | 98.2 | Very high | 98.3 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 21% | 0.208 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -59.6 | -28.2 | -179.8 | -23.6 | 34.8 | 0 | 0 | 0 | 113.6 | E215 Q226 K282 R283 | E215-P280 HydrophobicContact CB-CG 4.35Å; E215-P280 VanDerWaalsContact CD-CG 3.46Å; E215-P280 HydrophobicContact CG-CG 3.99Å; Q226-P280 HydrophobicContact CB-CB 3.98Å; Q226-P280 HydrophobicContact CG-CB 4.16Å; Q226-P280 WeakPolarHBondContact CG-O 3.48Å; P280-K282 PolarHBondContact O-N 3.45Å; P280-R283 PolarHBondContact O-N 3.5Å |
| 281 | S | 97.7 | Very high | 98.3 | Very high | 94 Ų | 94 | 39.9 Ų | 39.9 | 66% | 0.657 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -73.6 | -14 | 178.7 | 71.8 | 0 | 0 | 0 | 0 | 113.6 | D279 | D279-S281 VanDerWaalsContact CG-OG 3.24Å; D279-S281 PolarHBondContact O-N 2.92Å; D279-S281 WeakPolarHBondContact OD1-CB 3.28Å; D279-S281 PolarHBondContact OD1-N 3.39Å; D279-S281 PolarHBondContact OD1-OG 2.97Å; D279-S281 PolarHBondContact OD2-OG 3.24Å |
| 282 | K | 98.4 | Very high | 98.3 | Very high | 127 Ų | 127 | 41.2 Ų | 41.2 | 55% | 0.552 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -102.8 | 7.7 | 178.4 | -61.5 | -171.1 | 178.3 | 80.9 | 0 | 113.5 | N277 D279 P280 | N277-K282 HydrophobicContact CB-CB 4.36Å; N277-K282 VanDerWaalsContact ND2-CB 3.3Å; N277-K282 WeakPolarHBondContact ND2-CB 3.47Å; D279-K282 HydrophobicContact CB-CB 4.24Å; D279-K282 HydrophobicContact CB-CD 4.14Å; D279-K282 HydrophobicContact CB-CG 4.03Å; D279-K282 PolarHBondContact O-N 2.94Å; D279-K282 IonicContact OD2-NZ 3.54Å; D279-K282 PolarHBondContact OD2-NZ 3.36Å; P280-K282 PolarHBondContact O-N 3.45Å |
| 283 | R | 98.7 | Very high | 98.2 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 6% | 0.06 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -84.5 | 134.2 | 173.1 | -63.6 | -177.6 | -166.4 | 141.2 | 14.2 | 109.5 | E215 Q226 V229 C275 N277 P280 | E215-R283 IonicContact OE1-CZ 2.91Å; E215-R283 IonicContact OE1-NH1 2.72Å; E215-R283 PolarHBondContact OE1-NH1 2.64Å; E215-R283 IonicContact OE1-NH2 3.9Å; E215-R283 IonicContact OE2-CZ 2.81Å; E215-R283 IonicContact OE2-NH1 3.81Å; E215-R283 PolarHBondContact OE2-NH1 3.15Å; E215-R283 IonicContact OE2-NH2 3.05Å; E215-R283 PolarHBondContact OE2-NH2 2.59Å; Q226-R283 VanDerWaalsContact O-CD 3.27Å; Q226-R283 WeakPolarHBondContact O-CD 3.43Å; Q226-R283 PolarHBondContact O-NH1 3.43Å; V229-R283 HydrophobicContact CG1-CB 3.84Å; C275-R283 VanDerWaalsContact O-CD 3.3Å; C275-R283 WeakPolarHBondContact O-CD 3.39Å; C275-R283 WeakPolarHBondContact O-CG 3.42Å; N277-R283 HydrophobicContact CB-CG 3.94Å; N277-R283 PolarHBondContact O-NE 2.94Å; N277-R283 PolarHBondContact O-NH2 2.78Å; P280-R283 PolarHBondContact O-N 3.5Å |
| 284 | P | 98.6 | Very high | 98.2 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 146.6 | -179.7 | 28.7 | -35.3 | 0 | 0 | 0 | 111.3 | V229 S274 E288 I289 | V229-P284 HydrophobicContact CG1-CG 4.38Å; V229-P284 WeakPolarHBondContact CG1-O 3.49Å; V229-P284 VanDerWaalsContact CG2-O 3.28Å; V229-P284 WeakPolarHBondContact CG2-O 3.48Å; S274-P284 VanDerWaalsContact O-CD 3.27Å; S274-P284 WeakPolarHBondContact O-CD 3.35Å; P284-E288 HydrophobicContact CB-CB 3.72Å; P284-I289 HydrophobicContact CB-CG1 4.05Å; P284-I289 HydrophobicContact CG-CD1 4.37Å; P284-I289 HydrophobicContact CG-CG1 3.71Å |
| 285 | S | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 38% | 0.378 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -66.5 | 165.4 | 165.4 | 67.2 | 0 | 0 | 0 | 0 | 111.8 | L287 E288 I289 | S285-L287 PolarHBondContact O-N 3.27Å; S285-L287 VanDerWaalsContact O-N 3.13Å; S285-E288 WeakPolarHBondContact CB-OE2 3.49Å; S285-E288 PolarHBondContact N-OE2 3.39Å; S285-E288 PolarHBondContact O-N 3.09Å; S285-E288 PolarHBondContact OG-N 3.01Å; S285-E288 PolarHBondContact OG-OE2 3.17Å; S285-I289 WeakPolarHBondContact O-CG1 3.28Å; S285-I289 PolarHBondContact O-N 3.42Å |
| 286 | L | 98.4 | Very high | 98.1 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.2 | -30.3 | 174.3 | -60.5 | -173.2 | 0 | 0 | 0 | 112.9 | T156 L159 L160 V229 L232 I289 L290 | T156-L286 HydrophobicContact CG2-CB 3.82Å; T156-L286 HydrophobicContact CG2-CD2 4.26Å; T156-L286 HydrophobicContact CG2-CG 4.45Å; L159-L286 HydrophobicContact CB-CD1 3.78Å; L160-L286 HydrophobicContact CD2-CB 3.94Å; L160-L286 HydrophobicContact CD2-CD1 4.07Å; L160-L286 HydrophobicContact CG-CB 4.17Å; L160-L286 HydrophobicContact CG-CD1 4.01Å; V229-L286 HydrophobicContact CG2-CD2 4.24Å; L232-L286 HydrophobicContact CD1-CD2 3.59Å; L286-I289 HydrophobicContact CD2-CD1 4.31Å; L286-L290 WeakPolarHBondContact O-CG 3.31Å; L286-L290 PolarHBondContact O-N 3.48Å |
| 287 | L | 97.7 | Very high | 97.9 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 24% | 0.241 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72.9 | -45.2 | 175.3 | -176.5 | 65.3 | 0 | 0 | 0 | 111.6 | S285 I289 L290 Q291 A316 L317 | S285-L287 PolarHBondContact O-N 3.27Å; S285-L287 VanDerWaalsContact O-N 3.13Å; L287-I289 VanDerWaalsContact C-N 3.31Å; L287-I289 PolarHBondContact O-N 3.46Å; L287-L290 PolarHBondContact O-N 3.44Å; L287-L290 VanDerWaalsContact O-N 3.16Å; L287-Q291 VanDerWaalsContact O-CG 3.32Å; L287-Q291 WeakPolarHBondContact O-CG 3.31Å; L287-Q291 PolarHBondContact O-N 3.12Å; L287-A316 WeakPolarHBondContact CD1-O 3.38Å; L287-L317 HydrophobicContact CD1-CD2 4.14Å |
| 288 | E | 98.2 | Very high | 97.7 | Very high | 102 Ų | 102 | 48.9 Ų | 48.9 | 48% | 0.477 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.8 | -31.8 | 177.1 | -70.5 | 159.3 | 107.1 | 0 | 0 | 112.3 | P284 S285 Q291 H292 | P284-E288 HydrophobicContact CB-CB 3.72Å; S285-E288 WeakPolarHBondContact CB-OE2 3.49Å; S285-E288 PolarHBondContact N-OE2 3.39Å; S285-E288 PolarHBondContact O-N 3.09Å; S285-E288 PolarHBondContact OG-N 3.01Å; S285-E288 PolarHBondContact OG-OE2 3.17Å; E288-Q291 PolarHBondContact O-N 3.34Å; E288-H292 PolarHBondContact O-N 3.01Å |
| 289 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.3 | -51.5 | 168.3 | -72.6 | 174.5 | 0 | 0 | 0 | 110 | F152 V229 L232 L271 P284 S285 L286 L287 Q291 H292 M295 | F152-I289 HydrophobicContact CD1-CG2 4.16Å; F152-I289 HydrophobicContact CE1-CG2 3.64Å; V229-I289 HydrophobicContact CG1-CD1 4.15Å; V229-I289 HydrophobicContact CG2-CD1 4.13Å; L232-I289 HydrophobicContact CD1-CD1 4.34Å; L271-I289 HydrophobicContact CD1-CG1 4.3Å; L271-I289 HydrophobicContact CD1-CG2 4.47Å; P284-I289 HydrophobicContact CB-CG1 4.05Å; P284-I289 HydrophobicContact CG-CD1 4.37Å; P284-I289 HydrophobicContact CG-CG1 3.71Å; S285-I289 WeakPolarHBondContact O-CG1 3.28Å; S285-I289 PolarHBondContact O-N 3.42Å; L286-I289 HydrophobicContact CD2-CD1 4.31Å; L287-I289 VanDerWaalsContact C-N 3.31Å; L287-I289 PolarHBondContact O-N 3.46Å; I289-Q291 VanDerWaalsContact C-N 3.31Å; I289-Q291 PolarHBondContact O-N 3.26Å; I289-H292 WeakPolarHBondContact O-CB 3.44Å; I289-H292 PolarHBondContact O-N 3.24Å; I289-H292 VanDerWaalsContact O-N 3.09Å; I289-M295 WeakPolarHBondContact O-CG 3.5Å |
| 290 | L | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.4 | -34.8 | 178.7 | -70.5 | 167.2 | 0 | 0 | 0 | 112.4 | T156 L160 L286 L287 H292 M295 Q296 A313 L317 | T156-L290 HydrophobicContact CG2-CD1 3.79Å; T156-L290 HydrophobicContact CG2-CD2 4.11Å; T156-L290 HydrophobicContact CG2-CG 3.74Å; L160-L290 HydrophobicContact CD1-CD1 3.82Å; L286-L290 WeakPolarHBondContact O-CG 3.31Å; L286-L290 PolarHBondContact O-N 3.48Å; L287-L290 PolarHBondContact O-N 3.44Å; L287-L290 VanDerWaalsContact O-N 3.16Å; L290-H292 PolarHBondContact O-N 3.03Å; L290-M295 HydrophobicContact CD2-CE 3.86Å; L290-Q296 PolarHBondContact O-NE2 3.36Å; L290-A313 HydrophobicContact CD1-CB 3.82Å; L290-A313 HydrophobicContact CD2-CB 3.86Å; L290-L317 HydrophobicContact CB-CD1 4.14Å; L290-L317 HydrophobicContact CB-CD2 3.71Å; L290-L317 HydrophobicContact CB-CG 3.93Å |
| 291 | Q | 97.6 | Very high | 95.9 | Very high | 84 Ų | 84 | 54.1 Ų | 54.1 | 39% | 0.393 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -72.5 | -15.2 | 175.2 | -69.8 | 172.6 | -15.6 | 0 | 0 | 113.2 | L287 E288 I289 L317 | L287-Q291 VanDerWaalsContact O-CG 3.32Å; L287-Q291 WeakPolarHBondContact O-CG 3.31Å; L287-Q291 PolarHBondContact O-N 3.12Å; E288-Q291 PolarHBondContact O-N 3.34Å; I289-Q291 VanDerWaalsContact C-N 3.31Å; I289-Q291 PolarHBondContact O-N 3.26Å; Q291-L317 HydrophobicContact CB-CD2 4.33Å; Q291-L317 HydrophobicContact CG-CD2 3.4Å |
| 292 | H | 98.3 | Very high | 94.3 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 13% | 0.134 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -59.4 | 138.6 | -174.5 | -169.4 | -86.3 | 0 | 0 | 0 | 111.6 | A267 H270 L271 E288 I289 L290 W294 M295 Q296 | A267-H292 VanDerWaalsContact CA-CE1 3.43Å; A267-H292 WeakPolarHBondContact CA-CE1 3.42Å; A267-H292 PolarHBondContact O-CE1 3.1Å; H270-H292 AromaticContact CD2-NE2 3.99Å; H270-H292 AromaticContact CE1-NE2 3.05Å; H270-H292 PolarHBondContact CE1-NE2 2.69Å; H270-H292 AromaticContact CG-NE2 3.01Å; H270-H292 AromaticContact ND1-NE2 2.22Å; H270-H292 PolarHBondContact ND1-NE2 2.86Å; L271-H292 HydrophobicContact CD1-CB 4.03Å; E288-H292 PolarHBondContact O-N 3.01Å; I289-H292 WeakPolarHBondContact O-CB 3.44Å; I289-H292 PolarHBondContact O-N 3.24Å; I289-H292 VanDerWaalsContact O-N 3.09Å; L290-H292 PolarHBondContact O-N 3.03Å; H292-W294 WeakPolarHBondContact ND1-CB 3.3Å; H292-W294 PolarHBondContact ND1-N 2.86Å; H292-W294 VanDerWaalsContact ND1-N 3.12Å; H292-W294 PolarHBondContact O-N 3.34Å; H292-M295 PolarHBondContact O-N 2.66Å; H292-Q296 PolarHBondContact O-N 3.11Å |
| 293 | P | 97.9 | Very high | 92.6 | Very high | 89 Ų | 89 | 52.8 Ų | 52.8 | 58% | 0.578 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -52.1 | -30 | -178.2 | -31.6 | 36.6 | 0 | 0 | 0 | 115.3 | A297 | P293-A297 WeakPolarHBondContact O-CB 3.36Å; P293-A297 PolarHBondContact O-N 3.28Å |
| 294 | W | 98.4 | Very high | 91 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.6 | -46.4 | 174.7 | -174.2 | 72.6 | 0 | 0 | 0 | 112.6 | E145 A148 A149 L236 L240 A267 A268 L271 H292 A297 H298 | E145-W294 HydrophobicContact CB-CZ2 3.92Å; E145-W294 HydrophobicContact CG-CZ2 4.2Å; E145-W294 WeakPolarHBondContact O-CZ2 3.27Å; E145-W294 PolarHBondContact OE2-NE1 3.22Å; A148-W294 HydrophobicContact CB-CH2 4.17Å; A149-W294 HydrophobicContact CB-CE3 4.42Å; A149-W294 HydrophobicContact CB-CH2 3.61Å; A149-W294 HydrophobicContact CB-CZ2 4.04Å; A149-W294 HydrophobicContact CB-CZ3 3.82Å; L236-W294 HydrophobicContact CD1-CH2 3.5Å; L236-W294 VanDerWaalsContact CD1-CH2 3.5Å; L236-W294 HydrophobicContact CD1-CZ2 4.39Å; L236-W294 HydrophobicContact CD1-CZ3 3.73Å; L236-W294 HydrophobicContact CD2-CZ3 4.11Å; L240-W294 HydrophobicContact CD1-CZ2 4.18Å; A267-W294 HydrophobicContact CB-CB 3.93Å; A267-W294 HydrophobicContact CB-CG 4.43Å; A268-W294 HydrophobicContact CB-CD2 4.41Å; A268-W294 HydrophobicContact CB-CG 4.26Å; L271-W294 HydrophobicContact CD2-CD2 4.43Å; L271-W294 HydrophobicContact CD2-CE3 3.58Å; L271-W294 HydrophobicContact CD2-CZ3 4.18Å; H292-W294 WeakPolarHBondContact ND1-CB 3.3Å; H292-W294 PolarHBondContact ND1-N 2.86Å; H292-W294 VanDerWaalsContact ND1-N 3.12Å; H292-W294 PolarHBondContact O-N 3.34Å; W294-A297 PolarHBondContact O-N 3.34Å; W294-H298 AromaticContact CD1-CD2 3.71Å; W294-H298 AromaticContact CD1-NE2 3.8Å; W294-H298 AromaticContact CE2-CD2 3.68Å; W294-H298 AromaticContact NE1-CD2 3.36Å; W294-H298 PolarHBondContact NE1-CD2 3.36Å; W294-H298 AromaticContact NE1-NE2 3.35Å; W294-H298 PolarHBondContact NE1-NE2 3.32Å; W294-H298 PolarHBondContact O-CD2 3.18Å; W294-H298 VanDerWaalsContact O-CD2 3.28Å; W294-H298 PolarHBondContact O-N 3.16Å |
| 295 | M | 97.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.3 | -69.4 | -64.6 | -81.9 | 0 | 0 | 111 | A149 F152 H153 L271 I289 L290 H292 H298 R299 | A149-M295 HydrophobicContact CB-SD 4.43Å; F152-M295 HydrophobicContact CB-CE 4.18Å; F152-M295 HydrophobicContact CB-SD 4.3Å; F152-M295 HydrophobicContact CD1-CE 3.87Å; F152-M295 HydrophobicContact CD1-SD 3.81Å; H153-M295 HydrophobicContact CB-CE 4.28Å; H153-M295 PolarHBondContact CE1-O 3.05Å; H153-M295 VanDerWaalsContact CE1-O 3.27Å; H153-M295 VanDerWaalsContact ND1-CE 3.32Å; H153-M295 WeakPolarHBondContact ND1-CE 3.45Å; L271-M295 HydrophobicContact CD2-CG 4Å; I289-M295 WeakPolarHBondContact O-CG 3.5Å; L290-M295 HydrophobicContact CD2-CE 3.86Å; H292-M295 PolarHBondContact O-N 2.66Å; M295-H298 CarbonylContact O-C 3.37Å; M295-H298 PolarHBondContact O-N 3.3Å; M295-R299 PolarHBondContact O-N 2.7Å |
| 296 | Q | 96.1 | Very high | 89.8 | Confident | 70 Ų | 70 | 62.8 Ų | 62.8 | 33% | 0.327 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67 | -37.1 | 176.5 | -66.3 | -59.3 | -50.1 | 0 | 0 | 113 | L290 H292 H298 R299 | L290-Q296 PolarHBondContact O-NE2 3.36Å; H292-Q296 PolarHBondContact O-N 3.11Å; Q296-H298 VanDerWaalsContact C-N 3.28Å; Q296-H298 PolarHBondContact O-N 3.3Å; Q296-R299 WeakPolarHBondContact O-CB 3Å; Q296-R299 PolarHBondContact O-N 3.35Å |
| 297 | A | 95.5 | Very high | 89.5 | Confident | 80 Ų | 80 | 62.7 Ų | 62.7 | 66% | 0.661 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.8 | -31.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | P293 W294 | P293-A297 WeakPolarHBondContact O-CB 3.36Å; P293-A297 PolarHBondContact O-N 3.28Å; W294-A297 PolarHBondContact O-N 3.34Å |
| 298 | H | 94.2 | Very high | 89.4 | Confident | 49 Ų | 49 | 63 Ų | 63 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 23.4 | 176.9 | -60 | -68.2 | 0 | 0 | 0 | 112.9 | E145 A149 W294 M295 Q296 P300 | E145-H298 WeakPolarHBondContact CB-NE2 3.48Å; E145-H298 IonicContact OE2-NE2 2.74Å; E145-H298 PolarHBondContact OE2-NE2 3.15Å; A149-H298 HydrophobicContact CB-CB 3.42Å; A149-H298 VanDerWaalsContact CB-CB 3.42Å; W294-H298 AromaticContact CD1-CD2 3.71Å; W294-H298 AromaticContact CD1-NE2 3.8Å; W294-H298 AromaticContact CE2-CD2 3.68Å; W294-H298 AromaticContact NE1-CD2 3.36Å; W294-H298 PolarHBondContact NE1-CD2 3.36Å; W294-H298 AromaticContact NE1-NE2 3.35Å; W294-H298 PolarHBondContact NE1-NE2 3.32Å; W294-H298 PolarHBondContact O-CD2 3.18Å; W294-H298 VanDerWaalsContact O-CD2 3.28Å; W294-H298 PolarHBondContact O-N 3.16Å; M295-H298 CarbonylContact O-C 3.37Å; M295-H298 PolarHBondContact O-N 3.3Å; Q296-H298 VanDerWaalsContact C-N 3.28Å; Q296-H298 PolarHBondContact O-N 3.3Å; H298-P300 WeakPolarHBondContact O-CD 3.3Å |
| 299 | R | 91.7 | Very high | 89.3 | Confident | 84 Ų | 84 | 58.2 Ų | 58.2 | 32% | 0.317 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 123.9 | -178 | -177.3 | 175 | 174.2 | 167.5 | 0.3 | 110.6 | M295 Q296 Q301 L314 E318 | M295-R299 PolarHBondContact O-N 2.7Å; Q296-R299 WeakPolarHBondContact O-CB 3Å; Q296-R299 PolarHBondContact O-N 3.35Å; R299-Q301 PolarHBondContact O-N 2.74Å; R299-L314 HydrophobicContact CG-CD2 4.09Å; R299-E318 IonicContact NH2-OE1 3.69Å; R299-E318 PolarHBondContact NH2-OE1 3.41Å; R299-E318 VanDerWaalsContact NH2-OE1 3.1Å |
| 300 | P | 86 | Confident | 89.2 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 10% | 0.097 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -57 | 132.7 | 177.9 | -27.7 | 36.1 | 0 | 0 | 0 | 112.5 | F150 H153 H298 T302 I306 I310 | F150-P300 HydrophobicContact CD2-CB 4.3Å; F150-P300 HydrophobicContact CD2-CG 4.03Å; H153-P300 HydrophobicContact CB-CG 4.47Å; H298-P300 WeakPolarHBondContact O-CD 3.3Å; P300-T302 PolarHBondContact O-N 3.22Å; P300-I306 HydrophobicContact CB-CG2 4.22Å; P300-I310 HydrophobicContact CB-CD1 4.25Å; P300-I310 HydrophobicContact CB-CG2 4.04Å; P300-I310 HydrophobicContact CG-CD1 3.92Å; P300-I310 HydrophobicContact CG-CG2 3.84Å |
| 301 | Q | 77.5 | Confident | 89 | Confident | 168 Ų | 168 | 61.8 Ų | 61.8 | 79% | 0.785 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 124.4 | -177 | -63.6 | -176 | 9 | 0 | 0 | 111.1 | R299 G303 A304 | R299-Q301 PolarHBondContact O-N 2.74Å; Q301-G303 PolarHBondContact O-N 3.36Å; Q301-A304 PolarHBondContact O-N 3.1Å |
| 302 | T | 65.5 | Low | 89 | Confident | 110 Ų | 110 | 59.6 Ų | 59.6 | 68% | 0.675 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -3.7 | -175 | 50.3 | 0 | 0 | 0 | 0 | 115.2 | P300 A304 L314 | P300-T302 PolarHBondContact O-N 3.22Å; T302-A304 VanDerWaalsContact C-N 3.33Å; T302-L314 HydrophobicContact CG2-CD1 4.25Å |
| 303 | G | 62.2 | Low | 88.8 | Confident | 83 Ų | 83 | 58.2 Ų | 58.2 | 86% | 0.856 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -12.9 | 173 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q301 | Q301-G303 PolarHBondContact O-N 3.36Š|
| 304 | A | 65.7 | Low | 88.7 | Confident | 66 Ų | 66 | 54.3 Ų | 54.3 | 55% | 0.545 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -93.7 | 159.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q301 T302 I306 | Q301-A304 PolarHBondContact O-N 3.1Å; T302-A304 VanDerWaalsContact C-N 3.33Å; A304-I306 VanDerWaalsContact C-N 3.31Å; A304-I306 PolarHBondContact O-N 2.76Å |
| 305 | K | 80.7 | Confident | 88.5 | Confident | 192 Ų | 192 | 56.9 Ų | 56.9 | 84% | 0.835 | 32% | 0.321 | S | S | * | . | trans | -68 | 91.4 | 163.8 | -73.9 | -169.1 | 175.7 | -170.7 | 0 | 108.8 | ||||
| 306 | I | 89.7 | Confident | 88.3 | Confident | 41 Ų | 41 | 58 Ų | 58 | 21% | 0.21 | 33% | 0.331 | C | S | . | . | trans | -77 | 146.4 | 173.6 | 59.6 | 173.3 | 0 | 0 | 0 | 110.6 | P300 A304 I310 Q311 L314 | P300-I306 HydrophobicContact CB-CG2 4.22Å; A304-I306 VanDerWaalsContact C-N 3.31Å; A304-I306 PolarHBondContact O-N 2.76Å; I306-I310 HydrophobicContact CB-CB 4.3Å; I306-I310 HydrophobicContact CB-CG2 4.49Å; I306-I310 HydrophobicContact CD1-CB 4.29Å; I306-I310 HydrophobicContact CD1-CG2 4.08Å; I306-Q311 HydrophobicContact CD1-CB 4.29Å; I306-L314 HydrophobicContact CD1-CD1 4.23Å | ||
| 307 | P | 93.8 | Very high | 88 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | trans | -55 | 143.6 | 168.8 | -28.6 | 36.5 | 0 | 0 | 0 | 112.4 | F150 Q154 E185 A309 I310 Q311 | F150-P307 HydrophobicContact CZ-CG 4.1Å; Q154-P307 HydrophobicContact CG-CB 4.19Å; Q154-P307 HydrophobicContact CG-CG 4.33Å; E185-P307 HydrophobicContact CG-CB 3.96Å; E185-P307 HydrophobicContact CG-CG 3.78Å; P307-A309 PolarHBondContact O-N 2.87Å; P307-A309 VanDerWaalsContact O-N 3.14Å; P307-I310 HydrophobicContact CB-CG1 4.26Å; P307-I310 HydrophobicContact CG-CD1 4.31Å; P307-I310 HydrophobicContact CG-CG1 4.42Å; P307-I310 WeakPolarHBondContact O-CA 3.33Å; P307-I310 WeakPolarHBondContact O-CB 3.46Å; P307-I310 PolarHBondContact O-N 2.88Å; P307-Q311 PolarHBondContact O-N 2.9Å | ||
| 308 | L | 94.5 | Very high | 87.7 | Confident | 51 Ų | 51 | 56.5 Ų | 56.5 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.7 | -29.3 | -180 | -177.7 | 56.7 | 0 | 0 | 0 | 112.5 | P104 I310 Q311 I312 | P104-L308 HydrophobicContact CB-CB 4.04Å; P104-L308 HydrophobicContact CB-CD2 4Å; P104-L308 HydrophobicContact CB-CG 4.02Å; P104-L308 HydrophobicContact CG-CB 4.5Å; P104-L308 HydrophobicContact CG-CD2 4.13Å; P104-L308 HydrophobicContact CG-CG 4.02Å; L308-I310 PolarHBondContact O-N 3.32Å; L308-Q311 HydrophobicContact CD1-CB 4.27Å; L308-Q311 WeakPolarHBondContact O-CB 3.25Å; L308-Q311 PolarHBondContact O-N 3.4Å; L308-I312 PolarHBondContact O-N 3.41Å |
| 309 | A | 96.2 | Very high | 87.3 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 3% | 0.025 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.3 | -40.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q154 G157 I158 P307 I312 A313 | Q154-A309 HydrophobicContact CB-CB 4.09Å; Q154-A309 HydrophobicContact CG-CB 4.26Å; G157-A309 WeakPolarHBondContact CA-O 3.16Å; I158-A309 HydrophobicContact CD1-CB 4.33Å; I158-A309 HydrophobicContact CG1-CB 3.86Å; P307-A309 PolarHBondContact O-N 2.87Å; P307-A309 VanDerWaalsContact O-N 3.14Å; A309-I312 PolarHBondContact O-N 2.88Å; A309-A313 PolarHBondContact O-N 3.09Å |
| 310 | I | 95.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.6 | -43 | 173.8 | -53.9 | -167.6 | 0 | 0 | 0 | 109.8 | F150 H153 Q154 P300 I306 P307 L308 I312 A313 L314 | F150-I310 HydrophobicContact CD2-CD1 3.72Å; F150-I310 HydrophobicContact CE1-CD1 4.4Å; F150-I310 HydrophobicContact CE2-CD1 3.4Å; F150-I310 VanDerWaalsContact CE2-CD1 3.4Å; F150-I310 HydrophobicContact CG-CD1 4.34Å; F150-I310 HydrophobicContact CZ-CD1 3.79Å; H153-I310 HydrophobicContact CB-CG1 4.37Å; H153-I310 HydrophobicContact CB-CG2 4.31Å; Q154-I310 HydrophobicContact CB-CG1 4.4Å; Q154-I310 HydrophobicContact CG-CD1 3.77Å; Q154-I310 HydrophobicContact CG-CG1 3.31Å; P300-I310 HydrophobicContact CB-CD1 4.25Å; P300-I310 HydrophobicContact CB-CG2 4.04Å; P300-I310 HydrophobicContact CG-CD1 3.92Å; P300-I310 HydrophobicContact CG-CG2 3.84Å; I306-I310 HydrophobicContact CB-CB 4.3Å; I306-I310 HydrophobicContact CB-CG2 4.49Å; I306-I310 HydrophobicContact CD1-CB 4.29Å; I306-I310 HydrophobicContact CD1-CG2 4.08Å; P307-I310 HydrophobicContact CB-CG1 4.26Å; P307-I310 HydrophobicContact CG-CD1 4.31Å; P307-I310 HydrophobicContact CG-CG1 4.42Å; P307-I310 WeakPolarHBondContact O-CA 3.33Å; P307-I310 WeakPolarHBondContact O-CB 3.46Å; P307-I310 PolarHBondContact O-N 2.88Å; L308-I310 PolarHBondContact O-N 3.32Å; I310-I312 VanDerWaalsContact C-N 3.33Å; I310-I312 PolarHBondContact O-N 3.41Å; I310-A313 WeakPolarHBondContact O-CB 3.44Å; I310-A313 PolarHBondContact O-N 3.45Å; I310-A313 VanDerWaalsContact O-N 3.11Å; I310-L314 HydrophobicContact CG2-CD1 4.25Å; I310-L314 HydrophobicContact CG2-CG 4.26Å; I310-L314 WeakPolarHBondContact O-CG 3.42Å; I310-L314 PolarHBondContact O-N 3.41Å |
| 311 | Q | 95 | Very high | 85.2 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 35% | 0.346 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 177.6 | -176.8 | 172.6 | 4.6 | 0 | 0 | 111.4 | I306 P307 L308 A313 L314 D315 | I306-Q311 HydrophobicContact CD1-CB 4.29Å; P307-Q311 PolarHBondContact O-N 2.9Å; L308-Q311 HydrophobicContact CD1-CB 4.27Å; L308-Q311 WeakPolarHBondContact O-CB 3.25Å; L308-Q311 PolarHBondContact O-N 3.4Å; Q311-A313 VanDerWaalsContact C-N 3.29Å; Q311-A313 PolarHBondContact O-N 2.89Å; Q311-L314 PolarHBondContact O-N 3.47Å; Q311-L314 VanDerWaalsContact O-N 3.11Å; Q311-D315 WeakPolarHBondContact O-CB 3.49Å; Q311-D315 PolarHBondContact O-N 2.42Å |
| 312 | I | 95.5 | Very high | 84.2 | Confident | 39 Ų | 39 | 59.1 Ų | 59.1 | 20% | 0.2 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.6 | -39.6 | 175.5 | -70.5 | 177.7 | 0 | 0 | 0 | 112.1 | P104 S161 L308 A309 I310 A316 | P104-I312 HydrophobicContact CG-CD1 3.48Å; P104-I312 VanDerWaalsContact CG-CD1 3.48Å; S161-I312 WeakPolarHBondContact OG-CD1 3.3Å; L308-I312 PolarHBondContact O-N 3.41Å; A309-I312 PolarHBondContact O-N 2.88Å; I310-I312 VanDerWaalsContact C-N 3.33Å; I310-I312 PolarHBondContact O-N 3.41Å; I312-A316 WeakPolarHBondContact O-CB 3.24Å; I312-A316 PolarHBondContact O-N 3.03Å |
| 313 | A | 96 | Very high | 83.2 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L290 A309 I310 Q311 A316 L317 | L290-A313 HydrophobicContact CD1-CB 3.82Å; L290-A313 HydrophobicContact CD2-CB 3.86Å; A309-A313 PolarHBondContact O-N 3.09Å; I310-A313 WeakPolarHBondContact O-CB 3.44Å; I310-A313 PolarHBondContact O-N 3.45Å; I310-A313 VanDerWaalsContact O-N 3.11Å; Q311-A313 VanDerWaalsContact C-N 3.29Å; Q311-A313 PolarHBondContact O-N 2.89Å; A313-A316 PolarHBondContact O-N 2.99Å; A313-L317 PolarHBondContact O-N 3.18Å |
| 314 | L | 94.1 | Very high | 82 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -72.5 | -42.3 | 177.1 | -60.9 | -173.1 | 0 | 0 | 0 | 112.2 | R299 T302 I306 I310 Q311 A316 L317 E318 | R299-L314 HydrophobicContact CG-CD2 4.09Å; T302-L314 HydrophobicContact CG2-CD1 4.25Å; I306-L314 HydrophobicContact CD1-CD1 4.23Å; I310-L314 HydrophobicContact CG2-CD1 4.25Å; I310-L314 HydrophobicContact CG2-CG 4.26Å; I310-L314 WeakPolarHBondContact O-CG 3.42Å; I310-L314 PolarHBondContact O-N 3.41Å; Q311-L314 PolarHBondContact O-N 3.47Å; Q311-L314 VanDerWaalsContact O-N 3.11Å; L314-A316 PolarHBondContact O-N 3.27Å; L314-L317 HydrophobicContact CD2-CD1 4.06Å; L314-L317 WeakPolarHBondContact O-CB 3.25Å; L314-L317 PolarHBondContact O-N 2.95Å; L314-E318 PolarHBondContact O-N 3.34Å; L314-E318 VanDerWaalsContact O-N 3.07Å |
| 315 | D | 94.1 | Very high | 80.4 | Confident | 54 Ų | 54 | 62.1 Ų | 62.1 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55.4 | -37.7 | 170.8 | -95.5 | 54.8 | 0 | 0 | 0 | 112.1 | Q311 E318 K319 | Q311-D315 WeakPolarHBondContact O-CB 3.49Å; Q311-D315 PolarHBondContact O-N 2.42Å; D315-E318 PolarHBondContact O-N 3.13Å; D315-K319 WeakPolarHBondContact O-CB 3.45Å; D315-K319 WeakPolarHBondContact O-CD 3.16Å; D315-K319 VanDerWaalsContact O-CG 3.3Å; D315-K319 WeakPolarHBondContact O-CG 3.35Å; D315-K319 PolarHBondContact O-N 3.35Å; D315-K319 IonicContact OD2-NZ 3.6Å; D315-K319 PolarHBondContact OD2-NZ 3.24Å |
| 316 | A | 93.6 | Very high | 77.9 | Confident | 24 Ų | 24 | 59.8 Ų | 59.8 | 20% | 0.198 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.6 | -38.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L160 L287 I312 A313 L314 G320 | L160-A316 HydrophobicContact CD1-CB 3.81Å; L287-A316 WeakPolarHBondContact CD1-O 3.38Å; I312-A316 WeakPolarHBondContact O-CB 3.24Å; I312-A316 PolarHBondContact O-N 3.03Å; A313-A316 PolarHBondContact O-N 2.99Å; L314-A316 PolarHBondContact O-N 3.27Å; A316-G320 PolarHBondContact O-N 2.91Å |
| 317 | L | 91.2 | Very high | 75.1 | Confident | 12 Ų | 12 | 62.4 Ų | 62.4 | 6% | 0.063 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.4 | -49.4 | 170 | -74.8 | 168.6 | 0 | 0 | 0 | 110.9 | L287 L290 Q291 A313 L314 K319 G320 S321 | L287-L317 HydrophobicContact CD1-CD2 4.14Å; L290-L317 HydrophobicContact CB-CD1 4.14Å; L290-L317 HydrophobicContact CB-CD2 3.71Å; L290-L317 HydrophobicContact CB-CG 3.93Å; Q291-L317 HydrophobicContact CB-CD2 4.33Å; Q291-L317 HydrophobicContact CG-CD2 3.4Å; A313-L317 PolarHBondContact O-N 3.18Å; L314-L317 HydrophobicContact CD2-CD1 4.06Å; L314-L317 WeakPolarHBondContact O-CB 3.25Å; L314-L317 PolarHBondContact O-N 2.95Å; L317-K319 PolarHBondContact O-N 3.02Å; L317-G320 PolarHBondContact O-N 2.75Å; L317-S321 PolarHBondContact O-N 3.02Å; L317-S321 PolarHBondContact O-OG 3.49Å; L317-S321 VanDerWaalsContact O-OG 3.1Å |
| 318 | E | 89.4 | Confident | 72.1 | Confident | 106 Ų | 106 | 70 Ų | 70 | 50% | 0.495 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.8 | -33.4 | -175.4 | -69.9 | 171.5 | -158 | 0 | 0 | 112 | R299 L314 D315 N322 | R299-E318 IonicContact NH2-OE1 3.69Å; R299-E318 PolarHBondContact NH2-OE1 3.41Å; R299-E318 VanDerWaalsContact NH2-OE1 3.1Å; L314-E318 PolarHBondContact O-N 3.34Å; L314-E318 VanDerWaalsContact O-N 3.07Å; D315-E318 PolarHBondContact O-N 3.13Å; E318-N322 PolarHBondContact O-ND2 2.96Å |
| 319 | K | 86 | Confident | 69.3 | Low | 128 Ų | 128 | 72.3 Ų | 72.3 | 56% | 0.557 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -73.2 | -44.5 | 172.2 | -72.1 | 159.2 | -169.2 | 149.1 | 0 | 112.2 | D315 L317 S321 N322 S323 | D315-K319 WeakPolarHBondContact O-CB 3.45Å; D315-K319 WeakPolarHBondContact O-CD 3.16Å; D315-K319 VanDerWaalsContact O-CG 3.3Å; D315-K319 WeakPolarHBondContact O-CG 3.35Å; D315-K319 PolarHBondContact O-N 3.35Å; D315-K319 IonicContact OD2-NZ 3.6Å; D315-K319 PolarHBondContact OD2-NZ 3.24Å; L317-K319 PolarHBondContact O-N 3.02Å; K319-S321 PolarHBondContact O-N 3.2Å; K319-N322 PolarHBondContact O-N 2.78Å; K319-S323 WeakPolarHBondContact O-CB 3.45Å; K319-S323 PolarHBondContact O-N 2.86Å; K319-S323 VanDerWaalsContact O-N 3.14Å |
| 320 | G | 71.2 | Confident | 66.4 | Low | 26 Ų | 26 | 77.2 Ų | 77.2 | 27% | 0.268 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.8 | -24.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A316 L317 N322 | A316-G320 PolarHBondContact O-N 2.91Å; L317-G320 PolarHBondContact O-N 2.75Å; G320-N322 VanDerWaalsContact C-N 3.31Å |
| 321 | S | 61.1 | Low | 63.5 | Low | 87 Ų | 87 | 81.9 Ų | 81.9 | 61% | 0.608 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -7.9 | 171.2 | -63.1 | 0 | 0 | 0 | 0 | 114.7 | L317 K319 | L317-S321 PolarHBondContact O-N 3.02Å; L317-S321 PolarHBondContact O-OG 3.49Å; L317-S321 VanDerWaalsContact O-OG 3.1Å; K319-S321 PolarHBondContact O-N 3.2Å |
| 322 | N | 56.9 | Low | 61 | Low | 130 Ų | 130 | 81.8 Ų | 81.8 | 70% | 0.695 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | -3.5 | -177.9 | -75.3 | -74.8 | 0 | 0 | 0 | 113.5 | E318 K319 G320 D324 | E318-N322 PolarHBondContact O-ND2 2.96Å; K319-N322 PolarHBondContact O-N 2.78Å; G320-N322 VanDerWaalsContact C-N 3.31Å; N322-D324 VanDerWaalsContact C-N 3.33Å; N322-D324 PolarHBondContact O-N 3.45Å; N322-D324 VanDerWaalsContact O-N 3.08Å |
| 323 | S | 45.1 | Very low | 58.4 | Low | 72 Ų | 72 | 82.7 Ų | 82.7 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 51.8 | -168.4 | 64.7 | 0 | 0 | 0 | 0 | 115.1 | K319 | K319-S323 WeakPolarHBondContact O-CB 3.45Å; K319-S323 PolarHBondContact O-N 2.86Å; K319-S323 VanDerWaalsContact O-N 3.14Å |
| 324 | D | 36.3 | Very low | 55.8 | Low | 179 Ų | 179 | 86.4 Ų | 86.4 | 96% | 0.957 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -6.1 | 149.6 | -85.8 | -31.8 | 0 | 0 | 0 | 111.2 | N322 | N322-D324 VanDerWaalsContact C-N 3.33Å; N322-D324 PolarHBondContact O-N 3.45Å; N322-D324 VanDerWaalsContact O-N 3.08Å |
| 325 | A | 32 | Very low | 53.2 | Low | 72 Ų | 72 | 87.6 Ų | 87.6 | 60% | 0.595 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -109.4 | 125.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | P327 | A325-P327 WeakPolarHBondContact O-CD 3.4Š|
| 326 | T | 27.3 | Very low | 50.9 | Low | 142 Ų | 142 | 90.9 Ų | 90.9 | 87% | 0.871 | 53% | 0.526 | S | S | * | . | trans | -86.5 | 124.3 | 178.5 | 42.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 327 | P | 32.2 | Very low | 48.4 | Very low | 97 Ų | 97 | 96 Ų | 96 | 63% | 0.63 | 55% | 0.546 | S | S | * | . | trans | -105.4 | 106.4 | 168.3 | 27.9 | -12.3 | 0 | 0 | 0 | 110.6 | A325 I329 | A325-P327 WeakPolarHBondContact O-CD 3.4Å; P327-I329 HydrophobicContact CB-CG1 4.33Å; P327-I329 PolarHBondContact O-N 3.34Å | ||
| 328 | N | 29.7 | Very low | 45.9 | Very low | 166 Ų | 166 | 98.7 Ų | 98.7 | 89% | 0.888 | 57% | 0.566 | S | S | * | * | trans | -66.7 | 98.6 | 165.3 | -93.3 | -22.9 | 0 | 0 | 0 | 109.3 | ||||
| 329 | I | 37.5 | Very low | 43.9 | Very low | 101 Ų | 101 | 96 Ų | 96 | 52% | 0.518 | 55% | 0.554 | S | S | . | * | trans | -100.1 | 90.8 | 172.5 | -58.2 | 174.6 | 0 | 0 | 0 | 107.7 | P327 | P327-I329 HydrophobicContact CB-CG1 4.33Å; P327-I329 PolarHBondContact O-N 3.34Å | ||
| 330 | S | 33.8 | Very low | 41.8 | Very low | 105 Ų | 105 | 95.2 Ų | 95.2 | 73% | 0.734 | 55% | 0.552 | S | S | * | * | trans | -100.7 | 20.3 | -171.2 | 65.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 331 | N | 35 | Very low | 40.5 | Very low | 99 Ų | 99 | 98.7 Ų | 98.7 | 53% | 0.529 | 57% | 0.568 | S | S | . | * | trans | -130.4 | 137.8 | -178 | -73.4 | -34.4 | 0 | 0 | 0 | 112.3 | ||||
| 332 | L | 42.3 | Very low | 39.6 | Very low | 71 Ų | 71 | 98.4 Ų | 98.4 | 37% | 0.372 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -74.2 | -28.6 | 173.9 | -77.6 | 155.4 | 0 | 0 | 0 | 112.9 | L26 L28 V165 D334 L335 | L26-L332 VanDerWaalsContact O-CD1 3.29Å; L26-L332 WeakPolarHBondContact O-CD1 3.48Å; L28-L332 HydrophobicContact CD2-CD1 4.43Å; V165-L332 HydrophobicContact CB-CD2 4.47Å; V165-L332 HydrophobicContact CG1-CD2 3.86Å; L332-D334 VanDerWaalsContact C-N 3.25Å; L332-D334 PolarHBondContact O-N 3.34Å; L332-L335 PolarHBondContact O-N 3.1Å |
| 333 | S | 41.9 | Very low | 38.8 | Very low | 59 Ų | 59 | 95.8 Ų | 95.8 | 41% | 0.413 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -53.8 | -38.2 | -177 | 46.9 | 0 | 0 | 0 | 0 | 114.1 | L335 Q336 H337 | S333-L335 PolarHBondContact O-N 3.15Å; S333-Q336 PolarHBondContact O-N 3.36Å; S333-Q336 VanDerWaalsContact O-N 3.16Å; S333-H337 PolarHBondContact O-N 3Å |
| 334 | D | 41 | Very low | 38.4 | Very low | 78 Ų | 78 | 95.7 Ų | 95.7 | 42% | 0.417 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -73.6 | -20.7 | -166 | -51.8 | -7.8 | 0 | 0 | 0 | 111.1 | L332 S338 | L332-D334 VanDerWaalsContact C-N 3.25Å; L332-D334 PolarHBondContact O-N 3.34Å; D334-S338 PolarHBondContact O-N 3.18Å; D334-S338 PolarHBondContact O-OG 3.06Å |
| 335 | L | 40.4 | Very low | 38.6 | Very low | 31 Ų | 31 | 91.2 Ų | 91.2 | 16% | 0.162 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -76.4 | -46.9 | 171 | -109.9 | 167.2 | 0 | 0 | 0 | 111.7 | L103 K164 L332 S333 H337 S338 I339 | L103-L335 HydrophobicContact CD2-CD1 4.09Å; K164-L335 HydrophobicContact CD-CD1 3.86Å; L332-L335 PolarHBondContact O-N 3.1Å; S333-L335 PolarHBondContact O-N 3.15Å; L335-H337 PolarHBondContact O-N 3.16Å; L335-S338 WeakPolarHBondContact O-CB 3.23Å; L335-S338 PolarHBondContact O-N 3.24Å; L335-I339 HydrophobicContact CD2-CD1 4.29Å; L335-I339 WeakPolarHBondContact O-CG1 3.16Å; L335-I339 PolarHBondContact O-N 3.26Å |
| 336 | Q | 44.7 | Very low | 38.9 | Very low | 123 Ų | 123 | 94 Ų | 94 | 58% | 0.575 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.7 | -48.1 | 178.9 | -68.6 | 178.6 | -37.3 | 0 | 0 | 110.9 | S333 S338 I339 E340 | S333-Q336 PolarHBondContact O-N 3.36Å; S333-Q336 VanDerWaalsContact O-N 3.16Å; Q336-S338 VanDerWaalsContact C-N 3.28Å; Q336-S338 PolarHBondContact O-N 3.3Å; Q336-I339 PolarHBondContact O-N 2.64Å; Q336-E340 PolarHBondContact O-N 3.13Å |
| 337 | H | 41.9 | Very low | 39.2 | Very low | 131 Ų | 131 | 91.5 Ų | 91.5 | 61% | 0.606 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.2 | -30.5 | 180 | -132.2 | 31.8 | 0 | 0 | 0 | 112.9 | S333 L335 I339 E340 V341 | S333-H337 PolarHBondContact O-N 3Å; L335-H337 PolarHBondContact O-N 3.16Å; H337-I339 VanDerWaalsContact C-N 3.3Å; H337-I339 PolarHBondContact O-N 2.88Å; H337-E340 IonicContact CE1-OE2 3.6Å; H337-E340 IonicContact CG-OE2 3.78Å; H337-E340 IonicContact ND1-OE2 2.67Å; H337-E340 PolarHBondContact ND1-OE2 3.43Å; H337-V341 WeakPolarHBondContact O-CG2 3.36Å; H337-V341 PolarHBondContact O-N 2.97Å |
| 338 | S | 38.6 | Very low | 39.1 | Very low | 69 Ų | 69 | 93.3 Ų | 93.3 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.3 | -31.7 | 172.8 | -61.8 | 0 | 0 | 0 | 0 | 112.6 | D334 L335 Q336 | D334-S338 PolarHBondContact O-N 3.18Å; D334-S338 PolarHBondContact O-OG 3.06Å; L335-S338 WeakPolarHBondContact O-CB 3.23Å; L335-S338 PolarHBondContact O-N 3.24Å; Q336-S338 VanDerWaalsContact C-N 3.28Å; Q336-S338 PolarHBondContact O-N 3.3Å |
| 339 | I | 47.4 | Very low | 39.3 | Very low | 51 Ų | 51 | 94.8 Ų | 94.8 | 26% | 0.262 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -83.7 | -35.9 | -177.8 | -66 | 165 | 0 | 0 | 0 | 111.2 | G102 L335 Q336 H337 V341 Q342 S343 | G102-I339 WeakPolarHBondContact O-CD1 3.43Å; L335-I339 HydrophobicContact CD2-CD1 4.29Å; L335-I339 WeakPolarHBondContact O-CG1 3.16Å; L335-I339 PolarHBondContact O-N 3.26Å; Q336-I339 PolarHBondContact O-N 2.64Å; H337-I339 VanDerWaalsContact C-N 3.3Å; H337-I339 PolarHBondContact O-N 2.88Å; I339-V341 PolarHBondContact O-N 3.31Å; I339-Q342 PolarHBondContact O-N 3.19Å; I339-S343 WeakPolarHBondContact O-CB 3.46Å; I339-S343 PolarHBondContact O-N 3.24Å; I339-S343 PolarHBondContact O-OG 3.11Å |
| 340 | E | 41.4 | Very low | 38.9 | Very low | 110 Ų | 110 | 96.3 Ų | 96.3 | 51% | 0.514 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 172.9 | -69.7 | 177.8 | 134.4 | 0 | 0 | 112.3 | Q336 H337 Q342 S343 S344 | Q336-E340 PolarHBondContact O-N 3.13Å; H337-E340 IonicContact CE1-OE2 3.6Å; H337-E340 IonicContact CG-OE2 3.78Å; H337-E340 IonicContact ND1-OE2 2.67Å; H337-E340 PolarHBondContact ND1-OE2 3.43Å; E340-Q342 PolarHBondContact O-N 3.1Å; E340-S343 WeakPolarHBondContact CA-OG 3.49Å; E340-S343 PolarHBondContact O-OG 2.87Å; E340-S344 WeakPolarHBondContact O-CB 3.48Å; E340-S344 PolarHBondContact O-N 3.27Å; E340-S344 PolarHBondContact O-OG 2.73Å |
| 341 | V | 44.9 | Very low | 38.9 | Very low | 99 Ų | 99 | 99.6 Ų | 99.6 | 60% | 0.6 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.3 | -33 | 179.1 | 171.6 | 0 | 0 | 0 | 0 | 112.4 | H337 I339 S344 | H337-V341 WeakPolarHBondContact O-CG2 3.36Å; H337-V341 PolarHBondContact O-N 2.97Å; I339-V341 PolarHBondContact O-N 3.31Å; V341-S344 PolarHBondContact O-OG 3.24Å |
| 342 | Q | 42.2 | Very low | 38.7 | Very low | 81 Ų | 81 | 100.4 Ų | 100.4 | 38% | 0.379 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -80 | -43.7 | 177.3 | -69.6 | -172.3 | -1.7 | 0 | 0 | 112.5 | I339 E340 S344 S345 | I339-Q342 PolarHBondContact O-N 3.19Å; E340-Q342 PolarHBondContact O-N 3.1Å; Q342-S344 VanDerWaalsContact C-N 3.33Å; Q342-S344 PolarHBondContact O-N 2.71Å; Q342-S345 WeakPolarHBondContact O-CB 3.4Å; Q342-S345 PolarHBondContact O-N 2.75Å; Q342-S345 VanDerWaalsContact O-N 3.07Å; Q342-S345 PolarHBondContact O-OG 3.24Å |
| 343 | S | 38.4 | Very low | 38.1 | Very low | 75 Ų | 75 | 100.3 Ų | 100.3 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.8 | -34.9 | 179.9 | 52 | 0 | 0 | 0 | 0 | 113.3 | I339 E340 S345 | I339-S343 WeakPolarHBondContact O-CB 3.46Å; I339-S343 PolarHBondContact O-N 3.24Å; I339-S343 PolarHBondContact O-OG 3.11Å; E340-S343 WeakPolarHBondContact CA-OG 3.49Å; E340-S343 PolarHBondContact O-OG 2.87Å; S343-S345 VanDerWaalsContact C-N 3.26Å; S343-S345 PolarHBondContact O-N 2.9Å |
| 344 | S | 37.7 | Very low | 37.6 | Very low | 71 Ų | 71 | 107.7 Ų | 107.7 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.5 | -12.5 | 173.5 | 55.1 | 0 | 0 | 0 | 0 | 114.8 | E340 V341 Q342 S347 | E340-S344 WeakPolarHBondContact O-CB 3.48Å; E340-S344 PolarHBondContact O-N 3.27Å; E340-S344 PolarHBondContact O-OG 2.73Å; V341-S344 PolarHBondContact O-OG 3.24Å; Q342-S344 VanDerWaalsContact C-N 3.33Å; Q342-S344 PolarHBondContact O-N 2.71Å; S344-S347 PolarHBondContact O-OG 3.17Å |
| 345 | S | 39.5 | Very low | 37.2 | Very low | 85 Ų | 85 | 108.9 Ų | 108.9 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -18.3 | -179.4 | 76.4 | 0 | 0 | 0 | 0 | 114.5 | Q342 S343 | Q342-S345 WeakPolarHBondContact O-CB 3.4Å; Q342-S345 PolarHBondContact O-N 2.75Å; Q342-S345 VanDerWaalsContact O-N 3.07Å; Q342-S345 PolarHBondContact O-OG 3.24Å; S343-S345 VanDerWaalsContact C-N 3.26Å; S343-S345 PolarHBondContact O-N 2.9Å |
| 346 | L | 39.4 | Very low | 36.9 | Very low | 130 Ų | 130 | 116.1 Ų | 116.1 | 68% | 0.681 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -93.8 | -4.9 | -173.5 | -83 | 159.3 | 0 | 0 | 0 | 114.5 | ||
| 347 | S | 33.3 | Very low | 36.1 | Very low | 89 Ų | 89 | 114.8 Ų | 114.8 | 62% | 0.622 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -105.7 | 31.2 | -171.2 | 51.4 | 0 | 0 | 0 | 0 | 114.7 | S344 | S344-S347 PolarHBondContact O-OG 3.17Š|
| 348 | N | 30 | Very low | 35.5 | Very low | 136 Ų | 136 | 114.9 Ų | 114.9 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | trans | -134.1 | 56.3 | -176.2 | -92.4 | -60.7 | 0 | 0 | 0 | 114.9 | ||||
| 349 | Q | 35 | Very low | 34.9 | Very low | 197 Ų | 197 | 116.7 Ų | 116.7 | 92% | 0.921 | 68% | 0.681 | S | S | * | * | trans | -134.4 | 80.6 | 160 | -72.2 | -161.8 | -2.7 | 0 | 0 | 112.7 | ||||
| 350 | T | 28.7 | Very low | 34.1 | Very low | 132 Ų | 132 | 124.3 Ų | 124.3 | 81% | 0.81 | 71% | 0.713 | S | S | * | * | trans | 14.8 | 120.5 | 147 | -40.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 351 | I | 33 | Very low | 33.7 | Very low | 174 Ų | 174 | 124.8 Ų | 124.8 | 89% | 0.892 | 72% | 0.723 | S | S | * | * | -149.9 | 146.5 | 125.9 | -102.6 | 155.2 | 0 | 0 | 0 | 108.6 | |||||
| 352 | S | 30.2 | Very low | 32.7 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | trans | -95.8 | 143.5 | -162.8 | 54.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 353 | G | 31.4 | Very low | 32.5 | Very low | 69 Ų | 69 | 129.7 Ų | 129.7 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -171.1 | 72.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 354 | F | 31.1 | Very low | 32.1 | Very low | 215 Ų | 215 | 132 Ų | 132 | 94% | 0.943 | 77% | 0.772 | S | S | * | * | trans | 66.5 | 145.9 | 163.4 | -74.1 | -90.2 | 0 | 0 | 0 | 120.7 | ||||
| 355 | P | 31.1 | Very low | 31.9 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 66% | 0.662 | 79% | 0.79 | S | S | * | * | trans | -115.1 | 164.2 | -179.4 | 42.2 | -33.3 | 0 | 0 | 0 | 114.7 | ||||
| 356 | H | 35.4 | Very low | 31.6 | Very low | 184 Ų | 184 | 136 Ų | 136 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | -175.1 | 101.8 | 142.2 | -92.3 | -57.8 | 0 | 0 | 0 | 108 | ||||
| 357 | S | 27.8 | Very low | 31.1 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | 68.8 | 91.1 | 72.7 | 78.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 358 | C | 28.8 | Very low | 31.2 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 90% | 0.899 | 81% | 0.813 | S | S | * | * | trans | -157.4 | 123.3 | 154.8 | -113.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 359 | S | 26.2 | Very low | 31.3 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | -123 | 137.9 | -177.4 | 55.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 360 | F | 29.7 | Very low | 31.2 | Very low | 211 Ų | 211 | 137.1 Ų | 137.1 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -113.8 | 126.8 | 169.8 | -92 | -83.2 | 0 | 0 | 0 | 111.9 | ||||
| 361 | T | 32.7 | Very low | 31.6 | Very low | 120 Ų | 120 | 140 Ų | 140 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -112.1 | 137.6 | 177.2 | 50.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 362 | N | 25.7 | Very low | 31.8 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 134.9 | 172.5 | -77.3 | -21.4 | 0 | 0 | 0 | 112 | ||
| 363 | P | 36.5 | Very low | 31.8 | Very low | 118 Ų | 118 | 142 Ų | 142 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 142.2 | 159.5 | 35 | -28.9 | 0 | 0 | 0 | 111.5 | ||
| 364 | S | 31 | Very low | 31.9 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 149.2 | 175.7 | -46 | 0 | 0 | 0 | 0 | 112.1 | ||
| 365 | I | 33.8 | Very low | 31.8 | Very low | 172 Ų | 172 | 147.1 Ų | 147.1 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 130.6 | 167.2 | -67 | 177.8 | 0 | 0 | 0 | 109.4 | ||
| 366 | G | 33.2 | Very low | 31.9 | Very low | 67 Ų | 67 | 149 Ų | 149 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 137.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 367 | I | 28.1 | Very low | 31.5 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | 1.1 | 126.1 | 146.9 | -51.3 | 169.9 | 0 | 0 | 0 | 116.4 | ||||
| 368 | D | 34.7 | Very low | 31.8 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -143.7 | 169.7 | 132.1 | -142.8 | -27 | 0 | 0 | 0 | 110.6 | ||||
| 369 | D | 32.4 | Very low | 32.1 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 56% | 0.561 | 80% | 0.799 | S | S | * | * | trans | -127.6 | 165.3 | -139.3 | -178.8 | 32.2 | 0 | 0 | 0 | 115.9 | ||||
| 370 | K | 33.9 | Very low | 32.5 | Very low | 149 Ų | 149 | 148.9 Ų | 148.9 | 65% | 0.648 | 79% | 0.793 | S | S | * | * | trans | 68.6 | 124.6 | 173.9 | -51.5 | 114.1 | -179.1 | 134 | 0 | 118.5 | ||||
| 371 | H | 36.6 | Very low | 32.7 | Very low | 194 Ų | 194 | 146.9 Ų | 146.9 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | -160.4 | 165.9 | 95.8 | -117.1 | -98.6 | 0 | 0 | 0 | 112.7 | |||||
| 372 | K | 36.7 | Very low | 32.8 | Very low | 183 Ų | 183 | 146.8 Ų | 146.8 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -108.6 | 151.6 | -163.7 | -67.6 | 179.9 | 177.7 | 176.9 | 0 | 115.3 | ||||
| 373 | N | 30.4 | Very low | 33 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 52 | 123.3 | 145.9 | -64.2 | 7.4 | 0 | 0 | 0 | 120.5 | ||||
| 374 | K | 34.1 | Very low | 32.6 | Very low | 209 Ų | 209 | 148.1 Ų | 148.1 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | -165.9 | 148.7 | 101.5 | -105.1 | 171.8 | -178.9 | -179.2 | 0 | 113 | |||||
| 375 | Q | 27.7 | Very low | 32.6 | Very low | 183 Ų | 183 | 148.8 Ų | 148.8 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -100.5 | 149.6 | 164.8 | -61.8 | 167.3 | -61 | 0 | 0 | 109.4 | ||||
| 376 | T | 33.8 | Very low | 32.4 | Very low | 142 Ų | 142 | 148.7 Ų | 148.7 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | trans | -156.7 | 142.4 | 152.4 | 35.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 377 | N | 27.4 | Very low | 32.3 | Very low | 157 Ų | 157 | 152.2 Ų | 152.2 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -101 | 148.5 | 179.5 | -62 | -23.3 | 0 | 0 | 0 | 111.9 | ||||
| 378 | S | 34.1 | Very low | 32.3 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -163.7 | 132.2 | 153 | -157.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 379 | I | 34.3 | Very low | 32.3 | Very low | 136 Ų | 136 | 149.5 Ų | 149.5 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | cis | 66.6 | 120.1 | 45.9 | -53.5 | 174.8 | 0 | 0 | 0 | 108.6 | ||||
| 380 | D | 35.4 | Very low | 32.1 | Very low | 117 Ų | 117 | 150 Ų | 150 | 63% | 0.626 | 80% | 0.795 | S | S | * | * | cis | -153 | 178.6 | 34 | -136.9 | -21.4 | 0 | 0 | 0 | 116.6 | ||||
| 381 | H | 34.4 | Very low | 31.9 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 78% | 0.778 | 81% | 0.808 | S | S | * | * | trans | 30.4 | 152.1 | 151.2 | -64.6 | -15.1 | 0 | 0 | 0 | 122.4 | ||||
| 382 | S | 33.7 | Very low | 31.6 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | cis | -148.2 | -178.5 | 23.2 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 383 | Q | 30.5 | Very low | 31.4 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -118.8 | 171.4 | -175.1 | -78.5 | 179.7 | -45.5 | 0 | 0 | 113.7 | ||||
| 384 | T | 27.5 | Very low | 31.4 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | 68.4 | 156.8 | 168.1 | 55.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 385 | I | 31.2 | Very low | 31.3 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 70% | 0.703 | 80% | 0.801 | S | S | * | * | cis | -131.6 | 149.4 | 27.2 | -72.2 | 169.3 | 0 | 0 | 0 | 112.6 | ||||
| 386 | L | 29.5 | Very low | 31.5 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -87.3 | 128.3 | 160.8 | -85.3 | 161.5 | 0 | 0 | 0 | 108.9 | ||||
| 387 | D | 30.9 | Very low | 31.4 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -139.4 | 118.7 | 164.8 | -103.5 | -46.6 | 0 | 0 | 0 | 111.7 | ||||
| 388 | S | 29.4 | Very low | 31.4 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -98.6 | 127.8 | 171.6 | 55.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 389 | N | 33.3 | Very low | 31.3 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -135.9 | 111.8 | 169 | -96.9 | -60 | 0 | 0 | 0 | 112.1 | ||||
| 390 | S | 28.6 | Very low | 30.9 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -87.8 | 135 | 167.7 | 54.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 391 | C | 31.1 | Very low | 30.6 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | trans | -130.1 | 148.7 | 163.4 | -107.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 392 | S | 28.6 | Very low | 30.3 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -141.8 | 172.5 | -159.2 | 59 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 393 | S | 32.5 | Very low | 30.1 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | 86 | 153.6 | 166.3 | 79.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 394 | G | 31.5 | Very low | 30.1 | Very low | 74 Ų | 74 | 143 Ų | 143 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | 92.4 | 80.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 395 | M | 32.8 | Very low | 30 | Very low | 167 Ų | 167 | 144 Ų | 144 | 82% | 0.823 | 81% | 0.813 | S | S | * | * | cis | 89.1 | 113.4 | 29.8 | -158.3 | 169.4 | -175 | 0 | 0 | 114.8 | ||||
| 396 | D | 30.5 | Very low | 30 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | trans | 65 | 149.7 | 166.2 | -71.5 | -31.1 | 0 | 0 | 0 | 119.3 | ||||
| 397 | S | 32.8 | Very low | 30 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | cis | -148.9 | 153.1 | 11.3 | 40.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 398 | R | 27.4 | Very low | 30 | Very low | 237 Ų | 237 | 137.7 Ų | 137.7 | 89% | 0.894 | 82% | 0.816 | S | S | * | * | trans | 7.7 | 132.2 | 151.8 | -64.6 | 173.6 | 171 | 148.3 | -2.6 | 120.4 | ||||
| 399 | S | 30.7 | Very low | 30 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | -151.7 | 147.9 | 114.9 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 400 | S | 26.3 | Very low | 29.8 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -129.6 | 139.7 | -178.4 | -53.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 401 | L | 30.2 | Very low | 29.7 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -136.6 | 105.1 | 170.4 | -103.8 | 165.7 | 0 | 0 | 0 | 110.2 | ||||
| 402 | H | 27.3 | Very low | 29.7 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -71.2 | 147.9 | 164 | -106.5 | -102.2 | 0 | 0 | 0 | 109.7 | ||||
| 403 | F | 30.1 | Very low | 29.7 | Very low | 200 Ų | 200 | 140 Ų | 140 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -135.9 | 155.4 | 147.8 | -107.9 | -82.3 | 0 | 0 | 0 | 111.2 | ||||
| 404 | H | 29 | Very low | 29.5 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 149.2 | -161.8 | -114.6 | -24.6 | 0 | 0 | 0 | 113.7 | ||
| 405 | I | 26.5 | Very low | 29.4 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 122.7 | 157.9 | -60.6 | 169.9 | 0 | 0 | 0 | 107.7 | ||
| 406 | P | 32.1 | Very low | 29.3 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 116.3 | 165.2 | 8.3 | 11.6 | 0 | 0 | 0 | 110.3 | ||
| 407 | S | 27.7 | Very low | 29.3 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 127.7 | 170 | 53.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 408 | G | 32.4 | Very low | 29 | Very low | 76 Ų | 76 | 134.8 Ų | 134.8 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | -127.8 | 138.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 409 | T | 29 | Very low | 29.1 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -100 | 166.4 | -165.5 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 410 | T | 29.6 | Very low | 28.8 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | trans | 67.9 | 141.3 | 147.1 | 38.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 411 | E | 26.2 | Very low | 28.9 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | cis | -164.7 | 179.1 | -3.6 | -153.5 | 170.5 | -131.2 | 0 | 0 | 110.6 | ||||
| 412 | L | 30.3 | Very low | 29 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | 69.9 | 155.3 | 164.3 | -58.6 | 170 | 0 | 0 | 0 | 118.1 | ||||
| 413 | V | 28.1 | Very low | 29 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | cis | -167.5 | 140.1 | -46.2 | 122.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 414 | G | 29.5 | Very low | 28.9 | Very low | 75 Ų | 75 | 134.9 Ų | 134.9 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | 167.5 | 117.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 415 | S | 28.2 | Very low | 29 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -74.4 | 174.5 | 178.5 | -36.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 416 | S | 31.3 | Very low | 29 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | cis | -171.6 | 153.7 | 29.8 | -133.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 417 | I | 30.3 | Very low | 28.9 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 80% | 0.795 | 77% | 0.772 | S | S | * | * | trans | 65 | 138.3 | 154.8 | -59.2 | 159.1 | 0 | 0 | 0 | 115.1 | ||||
| 418 | G | 26.4 | Very low | 29.1 | Very low | 60 Ų | 60 | 140.2 Ų | 140.2 | 62% | 0.619 | 77% | 0.773 | S | S | * | * | cis | 135.8 | 131.7 | 15.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 419 | Y | 30.2 | Very low | 28.9 | Very low | 232 Ų | 232 | 142.7 Ų | 142.7 | 91% | 0.91 | 77% | 0.772 | S | S | * | * | -145.4 | 177.9 | 53.3 | -75.9 | -94.3 | 0 | 0 | 0 | 112.3 | |||||
| 420 | A | 25 | Very low | 28.9 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | -123.1 | 159.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 421 | F | 28.2 | Very low | 28.8 | Very low | 212 Ų | 212 | 145 Ų | 145 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | trans | -140.9 | 163.5 | 158.7 | -119.2 | -90.3 | 0 | 0 | 0 | 110.6 | ||||
| 422 | H | 30.5 | Very low | 28.9 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -90.8 | 150.5 | -153.7 | -106.8 | -100.6 | 0 | 0 | 0 | 117.2 | ||||
| 423 | D | 27.6 | Very low | 28.9 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 66% | 0.663 | 79% | 0.785 | S | S | * | * | trans | 19.8 | 135.5 | 142.7 | -55.3 | -21.9 | 0 | 0 | 0 | 121.6 | ||||
| 424 | F | 28.5 | Very low | 28.9 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | -158.3 | 133 | 98.9 | -132.7 | -125.8 | 0 | 0 | 0 | 115.2 | |||||
| 425 | L | 31.2 | Very low | 29 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | 62 | 154.1 | 161.9 | -66.4 | 174.4 | 0 | 0 | 0 | 121.9 | ||||
| 426 | R | 25.6 | Very low | 29.3 | Very low | 221 Ų | 221 | 147.5 Ų | 147.5 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -125.3 | -169.1 | 178.9 | -69.1 | 177.2 | 158.5 | -160.2 | -1.2 | 109.6 | ||||
| 427 | D | 31.2 | Very low | 29.4 | Very low | 130 Ų | 130 | 148.4 Ų | 148.4 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | trans | 95.1 | 132 | 151.9 | -51.6 | -26.1 | 0 | 0 | 0 | 115.3 | ||||
| 428 | E | 31.1 | Very low | 29.6 | Very low | 182 Ų | 182 | 146.7 Ų | 146.7 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | cis | -150.1 | -175.6 | -5.8 | -134.9 | -170.4 | -173.8 | 0 | 0 | 113.5 | ||||
| 429 | V | 28.3 | Very low | 29.9 | Very low | 127 Ų | 127 | 150.3 Ų | 150.3 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -120.3 | 142.3 | -171.6 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 430 | S | 29.1 | Very low | 30 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -176.5 | 174.8 | 153.2 | -86.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 431 | I | 27.7 | Very low | 30.3 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | cis | -144.7 | 145.5 | 20.9 | -52.4 | 159.1 | 0 | 0 | 0 | 111 | ||||
| 432 | G | 28.3 | Very low | 30.5 | Very low | 67 Ų | 67 | 142.1 Ų | 142.1 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | 148.4 | 125.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 433 | E | 29.9 | Very low | 30.4 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | cis | -140.4 | 151.9 | 9.2 | -62.7 | -177.7 | 105 | 0 | 0 | 113.4 | ||||
| 434 | L | 29.3 | Very low | 30.8 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | 30.8 | 120.8 | 145.1 | -66.7 | 160.5 | 0 | 0 | 0 | 121.2 | ||||
| 435 | S | 30.4 | Very low | 30.8 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | -176.2 | 154.3 | 100.2 | 52.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 436 | Q | 33.9 | Very low | 30.8 | Very low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 65.4 | 95.6 | 157.4 | -69.9 | 179.5 | 63.8 | 0 | 0 | 122 | ||||
| 437 | S | 34.6 | Very low | 30.9 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | 76.1 | 154.8 | 131.6 | 67.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 438 | P | 33.5 | Very low | 30.9 | Very low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -122.6 | 171.1 | -156.4 | 42.8 | -30.5 | 0 | 0 | 0 | 115.7 | ||||
| 439 | V | 33 | Very low | 30.6 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | -171.1 | 147.1 | 125.2 | 141 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 440 | S | 33.5 | Very low | 30.7 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -31.6 | 151.4 | -178.4 | 58.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 441 | G | 31.3 | Very low | 30.8 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | 179.6 | 46.4 | 162 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 442 | I | 31.6 | Very low | 30.9 | Very low | 180 Ų | 180 | 133 Ų | 133 | 92% | 0.923 | 78% | 0.779 | S | S | * | * | trans | 72.1 | 150.2 | 156.6 | -60 | 170.4 | 0 | 0 | 0 | 117.5 | ||||
| 443 | S | 28.3 | Very low | 31 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 60% | 0.601 | 78% | 0.784 | S | S | * | * | trans | -112.2 | 169.6 | -177.6 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 444 | P | 36.2 | Very low | 31 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | -138.1 | 163.6 | 97 | 34 | -19.1 | 0 | 0 | 0 | 115 | |||||
| 445 | Q | 28.5 | Very low | 31 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | trans | -86.7 | 159.4 | -178.5 | -59 | 156.4 | -89.3 | 0 | 0 | 112.8 | ||||
| 446 | V | 31.4 | Very low | 30.9 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -128.7 | 130.7 | 141.6 | 178.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 447 | E | 26.9 | Very low | 30.9 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 73% | 0.729 | 79% | 0.79 | S | S | * | * | trans | -144.7 | 128.6 | -170.9 | 175.4 | -178.6 | -114.4 | 0 | 0 | 108.6 | ||||
| 448 | T | 31 | Very low | 30.6 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -145.3 | 118.2 | 171.2 | 52.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 449 | A | 26.6 | Very low | 30.5 | Very low | 81 Ų | 81 | 146 Ų | 146 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | trans | -116 | 154.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 450 | W | 30.6 | Very low | 30.1 | Very low | 243 Ų | 243 | 150.4 Ų | 150.4 | 92% | 0.92 | 80% | 0.795 | S | S | * | * | trans | -140.2 | 109.5 | 162.7 | -64.7 | 97.8 | 0 | 0 | 0 | 107.1 | ||||
| 451 | S | 30.3 | Very low | 29.9 | Very low | 95 Ų | 95 | 152 Ų | 152 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | 86.6 | 101.9 | 57.3 | -64.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 452 | I | 29.1 | Very low | 29.8 | Very low | 157 Ų | 157 | 154.8 Ų | 154.8 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | trans | -75.8 | 128.7 | -179.6 | -62.8 | 160.3 | 0 | 0 | 0 | 111.1 | N454 | I452-N454 PolarHBondContact O-N 2.81Š| ||
| 453 | P | 31.6 | Very low | 29.5 | Very low | 120 Ų | 120 | 153.1 Ų | 153.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -77.8 | 103.8 | 168.7 | -10.7 | 27.7 | 0 | 0 | 0 | 111.2 | R455 | P453-R455 PolarHBondContact O-N 2.81Š| ||
| 454 | N | 29 | Very low | 29.5 | Very low | 157 Ų | 157 | 156.5 Ų | 156.5 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -69.4 | 113.3 | 169.7 | -110.8 | -57.5 | 0 | 0 | 0 | 110.5 | I452 | I452-N454 PolarHBondContact O-N 2.81Š| ||
| 455 | R | 29.7 | Very low | 29 | Very low | 232 Ų | 232 | 157 Ų | 157 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -115.6 | 111.7 | 165.1 | -97.2 | -170.4 | 172.5 | -171.9 | -0.8 | 110.8 | P453 | P453-R455 PolarHBondContact O-N 2.81Š| ||
| 456 | K | 28.8 | Very low | 29.1 | Very low | 197 Ų | 197 | 158 Ų | 158 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -69.9 | 130 | 165.8 | -66.9 | 178.1 | 177.3 | 178.8 | 0 | 109.4 | ||||
| 457 | I | 33.6 | Very low | 29.1 | Very low | 156 Ų | 156 | 156.8 Ų | 156.8 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -128.2 | 113.8 | 154.4 | -61.5 | -178.5 | 0 | 0 | 0 | 106.4 | ||||
| 458 | N | 28.3 | Very low | 29.4 | Very low | 139 Ų | 139 | 157.8 Ų | 157.8 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | -86.4 | 133.6 | 161.6 | -65.3 | -20.3 | 0 | 0 | 0 | 106.8 | ||||
| 459 | E | 31.6 | Very low | 29.5 | Very low | 193 Ų | 193 | 156.9 Ų | 156.9 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | -176.7 | 177.1 | 109 | -98.8 | 177.2 | -175.7 | 0 | 0 | 111.8 | |||||
| 460 | R | 24.4 | Very low | 29.8 | Very low | 228 Ų | 228 | 158.7 Ų | 158.7 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -98.6 | 140.7 | -162.7 | -58.7 | 165 | 170.5 | 145.1 | -10.8 | 112.8 | ||||
| 461 | V | 29.8 | Very low | 29.9 | Very low | 148 Ų | 148 | 154.3 Ų | 154.3 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -134.3 | 153.3 | 141.1 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 462 | N | 28.1 | Very low | 30 | Very low | 129 Ų | 129 | 155.4 Ų | 155.4 | 69% | 0.69 | 80% | 0.8 | S | S | * | * | trans | -99.3 | 145.5 | -163.9 | -70.9 | -53.6 | 0 | 0 | 0 | 115 | ||||
| 463 | L | 26.3 | Very low | 30 | Very low | 145 Ų | 145 | 159.3 Ų | 159.3 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | 36.8 | 121.5 | 133.9 | -58.5 | 167.6 | 0 | 0 | 0 | 119.3 | ||||
| 464 | N | 27.7 | Very low | 30 | Very low | 157 Ų | 157 | 162 Ų | 162 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | -155.6 | 135.9 | 95.6 | -111.7 | -21.3 | 0 | 0 | 0 | 112.3 | |||||
| 465 | I | 26.7 | Very low | 29.8 | Very low | 136 Ų | 136 | 160 Ų | 160 | 70% | 0.697 | 81% | 0.81 | S | S | * | * | trans | -129.6 | 125.4 | 172.7 | -65.4 | 175.8 | 0 | 0 | 0 | 107.3 | T467 | I465-T467 HydrophobicContact CG2-CG2 3.81Š| ||
| 466 | Q | 29.4 | Very low | 29.8 | Very low | 169 Ų | 169 | 155.3 Ų | 155.3 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -114.4 | 94.6 | 165.3 | -75.9 | -167.9 | -10.6 | 0 | 0 | 109.7 | ||||
| 467 | T | 30.7 | Very low | 29.8 | Very low | 124 Ų | 124 | 153.2 Ų | 153.2 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 116.5 | 166.6 | 46.4 | 0 | 0 | 0 | 0 | 109.5 | I465 | I465-T467 HydrophobicContact CG2-CG2 3.81Š|
| 468 | F | 33.6 | Very low | 29.6 | Very low | 176 Ų | 176 | 154 Ų | 154 | 77% | 0.772 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 145.4 | 168 | -75.9 | -86.4 | 0 | 0 | 0 | 110.8 | ||
| 469 | P | 34.5 | Very low | 29.7 | Very low | 113 Ų | 113 | 153 Ų | 153 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 150.9 | -173.5 | 32.9 | -35.9 | 0 | 0 | 0 | 112.7 | ||
| 470 | P | 32.2 | Very low | 29.7 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 119.5 | 168 | 33.4 | -29.4 | 0 | 0 | 0 | 111 | ||
| 471 | D | 33 | Very low | 29.8 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -177.9 | 134.7 | 134.5 | -110.1 | -30.2 | 0 | 0 | 0 | 113.3 | ||||
| 472 | S | 32.6 | Very low | 30 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -175.9 | 99.8 | 138.1 | 36.9 | 0 | 0 | 0 | 0 | 110.3 | L474 | S472-L474 PolarHBondContact O-N 3.25Š| ||
| 473 | R | 28.2 | Very low | 30 | Very low | 239 Ų | 239 | 143.7 Ų | 143.7 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -73.5 | 121.9 | 166.4 | -69.3 | 176 | 174.9 | 174.9 | -2 | 109.5 | ||||
| 474 | L | 31.4 | Very low | 30.2 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | trans | -133.4 | 126.5 | 155.6 | -88.2 | 174.7 | 0 | 0 | 0 | 110.4 | S472 | S472-L474 PolarHBondContact O-N 3.25Š| ||
| 475 | S | 25.9 | Very low | 30.3 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -104.4 | 140.7 | 179.8 | 54.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 476 | C | 29.4 | Very low | 30.5 | Very low | 135 Ų | 135 | 143 Ų | 143 | 91% | 0.912 | 79% | 0.79 | S | S | * | * | trans | -132.9 | 157.4 | 154.7 | -155.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 477 | Q | 28.9 | Very low | 30.3 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | trans | -116.7 | 147.8 | -160.2 | -67.2 | -178.8 | -55.3 | 0 | 0 | 113.6 | ||||
| 478 | Q | 29.7 | Very low | 30.1 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | 67.7 | 154.5 | 152.4 | -68.2 | 164 | 0.2 | 0 | 0 | 115.5 | ||||
| 479 | T | 30.5 | Very low | 29.8 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | cis | -134.9 | 149.9 | 26.8 | 46.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 480 | S | 30 | Very low | 29.5 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 0 | 153.4 | 145.6 | 58.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 481 | C | 28 | Very low | 29.3 | Very low | 120 Ų | 120 | 145.7 Ų | 145.7 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | cis | -158.2 | -171.6 | 32.6 | -128.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 482 | P | 33 | Very low | 29.1 | Very low | 98 Ų | 98 | 146.9 Ų | 146.9 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | -131.4 | 169.8 | -129.5 | 40.8 | -20.5 | 0 | 0 | 0 | 118.1 | |||||
| 483 | E | 29.5 | Very low | 29 | Very low | 184 Ų | 184 | 147 Ų | 147 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | 54.1 | 159.6 | 150 | -67.5 | -179.1 | 132.5 | 0 | 0 | 118.9 | ||||
| 484 | I | 29.8 | Very low | 28.9 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | cis | -147.6 | 153 | 37.6 | -70.6 | 166.5 | 0 | 0 | 0 | 110.5 | ||||
| 485 | I | 30 | Very low | 28.8 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -103.2 | 139.1 | 171.6 | -59.6 | 166.5 | 0 | 0 | 0 | 110.7 | ||||
| 486 | P | 29.4 | Very low | 28.9 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -122.1 | 149.3 | 140.7 | 0.3 | 21.2 | 0 | 0 | 0 | 113.4 | ||||
| 487 | R | 25.8 | Very low | 28.9 | Very low | 222 Ų | 222 | 139.3 Ų | 139.3 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -89.9 | 158.1 | 169.4 | -59.7 | 172.3 | 178 | 174 | -1.9 | 110.2 | ||||
| 488 | L | 27.2 | Very low | 28.8 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | 160.1 | 145.5 | 109.7 | -80.4 | 179.8 | 0 | 0 | 0 | 113.7 | |||||
| 489 | H | 26.8 | Very low | 28.6 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 44.8 | 102.4 | 153.5 | -71.4 | -63.9 | 0 | 0 | 0 | 123.2 | ||||
| 490 | S | 28.2 | Very low | 28.4 | Very low | 85 Ų | 85 | 139.9 Ų | 139.9 | 59% | 0.594 | 77% | 0.77 | S | S | * | * | 28.5 | 122.8 | 112 | 62 | 0 | 0 | 0 | 0 | 120 | |||||
| 491 | N | 27.6 | Very low | 28.3 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | -163.4 | 171.7 | 101.1 | -100.7 | 11 | 0 | 0 | 0 | 113.7 | |||||
| 492 | E | 28.6 | Very low | 28.3 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -72 | 157.6 | -165.2 | -54.9 | 152.5 | 142 | 0 | 0 | 115.4 | ||||
| 493 | S | 30.4 | Very low | 28.1 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | -173.4 | 149.2 | 125.6 | 24.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 494 | D | 27 | Very low | 28.1 | Very low | 165 Ų | 165 | 135.9 Ų | 135.9 | 88% | 0.882 | 72% | 0.723 | S | S | * | * | trans | -73.5 | 145.7 | -172.2 | -58.8 | -86.5 | 0 | 0 | 0 | 115.3 | ||||
| 495 | S | 28.9 | Very low | 28.1 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | trans | -156.8 | 116.2 | 146.8 | 43.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 496 | S | 28.5 | Very low | 28.1 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 83% | 0.825 | 68% | 0.676 | S | S | * | * | trans | 38.1 | 91.3 | 161.4 | 58.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 497 | S | 29.4 | Very low | 28.1 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 79% | 0.79 | 67% | 0.667 | S | S | * | * | trans | -68.7 | 134.3 | 161.7 | 45.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 498 | G | 26.3 | Very low | 28.5 | Very low | 66 Ų | 66 | 115.9 Ų | 115.9 | 68% | 0.68 | 64% | 0.642 | S | S | * | * | trans | -77.9 | 142.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y500 | G498-Y500 PolarHBondContact O-N 2.89Š| ||
| 499 | Y | 26.7 | Very low | 28.8 | Very low | 182 Ų | 182 | 114.3 Ų | 114.3 | 71% | 0.714 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -74.7 | 87.5 | 177.2 | -80.3 | -106.1 | 0 | 0 | 0 | 111.2 | N248 | N248-Y499 HydrophobicContact CB-CE1 4.11Å; N248-Y499 WeakPolarHBondContact CB-OH 3.11Å |
| 500 | Y | 24.6 | Very low | 29.2 | Very low | 206 Ų | 206 | 112.7 Ų | 112.7 | 81% | 0.808 | 63% | 0.631 | S | S | * | * | trans | -135.8 | 93.5 | 160.5 | -87.3 | -84.5 | 0 | 0 | 0 | 108.6 | G498 | G498-Y500 PolarHBondContact O-N 2.89Š| ||
| 501 | S | 27.8 | Very low | 29.3 | Very low | 60 Ų | 60 | 111 Ų | 111 | 42% | 0.42 | 63% | 0.626 | S | S | . | * | trans | -78.2 | 135.2 | 163.4 | -66.6 | 0 | 0 | 0 | 0 | 108 | S503 | S501-S503 PolarHBondContact O-N 2.99Š| ||
| 502 | R | 28.2 | Very low | 29.4 | Very low | 229 Ų | 229 | 110.8 Ų | 110.8 | 86% | 0.864 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -78.3 | 47.4 | -173.9 | -70.9 | -179.9 | 167.5 | 176 | -4 | 113.3 | ||
| 503 | S | 29.2 | Very low | 29.4 | Very low | 29 Ų | 29 | 109.3 Ų | 109.3 | 20% | 0.203 | 61% | 0.611 | C | S | . | * | trans | -131.4 | 66.5 | 177.6 | 59.1 | 0 | 0 | 0 | 0 | 107.8 | S501 S505 | S501-S503 PolarHBondContact O-N 2.99Å; S503-S505 VanDerWaalsContact C-N 3.33Å; S503-S505 PolarHBondContact O-N 3.27Å; S503-S505 PolarHBondContact O-OG 3.47Å | ||
| 504 | D | 28.8 | Very low | 29.3 | Very low | 102 Ų | 102 | 108 Ų | 108 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | trans | -69.5 | 96.1 | 166.8 | -67.2 | -49.1 | 0 | 0 | 0 | 107.5 | G52 G53 | G52-D504 WeakPolarHBondContact CA-O 3.22Å; G53-D504 PolarHBondContact N-O 2.95Å | ||
| 505 | S | 30.6 | Very low | 29.4 | Very low | 31 Ų | 31 | 107.4 Ų | 107.4 | 22% | 0.217 | 59% | 0.59 | C | S | . | * | trans | -79.1 | -177.9 | 175.4 | -52.9 | 0 | 0 | 0 | 0 | 112.2 | K173 E175 S503 S507 | K173-S505 PolarHBondContact NZ-OG 3.1Å; E175-S505 WeakPolarHBondContact OE1-CB 3.4Å; E175-S505 PolarHBondContact OE1-OG 3.23Å; E175-S505 WeakPolarHBondContact OE2-CB 3.44Å; E175-S505 PolarHBondContact OE2-OG 3.1Å; S503-S505 VanDerWaalsContact C-N 3.33Å; S503-S505 PolarHBondContact O-N 3.27Å; S503-S505 PolarHBondContact O-OG 3.47Å; S505-S507 PolarHBondContact O-N 2.86Å | ||
| 506 | L | 29.7 | Very low | 29.2 | Very low | 70 Ų | 70 | 106.7 Ų | 106.7 | 37% | 0.366 | 59% | 0.585 | S | S | . | * | trans | -71.1 | 57.5 | -179 | -65.1 | 170.1 | 0 | 0 | 0 | 113.4 | S508 | L506-S508 PolarHBondContact O-N 3.35Š| ||
| 507 | S | 29.9 | Very low | 29.1 | Very low | 82 Ų | 82 | 104.3 Ų | 104.3 | 57% | 0.573 | 57% | 0.572 | S | S | * | * | trans | -75.6 | 86.4 | -171.1 | -167.4 | 0 | 0 | 0 | 0 | 114.3 | S505 N509 | S505-S507 PolarHBondContact O-N 2.86Å; S507-N509 VanDerWaalsContact C-N 3.29Å; S507-N509 PolarHBondContact O-N 2.71Å | ||
| 508 | S | 34 | Very low | 29.1 | Very low | 43 Ų | 43 | 105.2 Ų | 105.2 | 30% | 0.301 | 57% | 0.573 | S | S | . | * | S | Bend | 59.8 | 1.2 | 128.9 | 78.3 | 0 | 0 | 0 | 0 | 121.2 | L506 K512 | L506-S508 PolarHBondContact O-N 3.35Å; S508-K512 WeakPolarHBondContact O-CD 3.22Å; S508-K512 VanDerWaalsContact O-CE 3.23Å; S508-K512 WeakPolarHBondContact O-CE 3.18Å; S508-K512 PolarHBondContact O-NZ 3.18Å | |
| 509 | N | 34.8 | Very low | 29.2 | Very low | 111 Ų | 111 | 108.6 Ų | 108.6 | 59% | 0.594 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -112 | -40.6 | 175.1 | -80.7 | -44.7 | 0 | 0 | 0 | 114.3 | S507 K512 | S507-N509 VanDerWaalsContact C-N 3.29Å; S507-N509 PolarHBondContact O-N 2.71Å; N509-K512 PolarHBondContact O-N 2.94Å |
| 510 | D | 33.3 | Very low | 29.2 | Very low | 123 Ų | 123 | 106.1 Ų | 106.1 | 66% | 0.658 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -76.7 | -34 | -175.6 | -65.2 | -36.9 | 0 | 0 | 0 | 113 | K512 Q513 | D510-K512 PolarHBondContact O-N 2.67Å; D510-K512 VanDerWaalsContact O-N 3.09Å; D510-Q513 PolarHBondContact O-N 2.86Å |
| 511 | G | 30.4 | Very low | 29.3 | Very low | 48 Ų | 48 | 101.5 Ų | 101.5 | 50% | 0.495 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -57.8 | -24.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q513 L514 | G511-Q513 PolarHBondContact O-N 2.84Å; G511-L514 PolarHBondContact O-N 2.75Å |
| 512 | K | 30.5 | Very low | 29.4 | Very low | 146 Ų | 146 | 106.5 Ų | 106.5 | 64% | 0.635 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -71.8 | -10.8 | 176.1 | -69.7 | 167.2 | -179 | 148.5 | 0 | 113.5 | S508 N509 D510 | S508-K512 WeakPolarHBondContact O-CD 3.22Å; S508-K512 VanDerWaalsContact O-CE 3.23Å; S508-K512 WeakPolarHBondContact O-CE 3.18Å; S508-K512 PolarHBondContact O-NZ 3.18Å; N509-K512 PolarHBondContact O-N 2.94Å; D510-K512 PolarHBondContact O-N 2.67Å; D510-K512 VanDerWaalsContact O-N 3.09Å |
| 513 | Q | 28.4 | Very low | 29.3 | Very low | 143 Ų | 143 | 103.6 Ų | 103.6 | 67% | 0.668 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -94.9 | -13.8 | 177.5 | -60.8 | -166.1 | 66.9 | 0 | 0 | 113.9 | D510 G511 S516 | D510-Q513 PolarHBondContact O-N 2.86Å; G511-Q513 PolarHBondContact O-N 2.84Å; Q513-S516 PolarHBondContact O-OG 2.92Å |
| 514 | L | 28.3 | Very low | 29.3 | Very low | 93 Ų | 93 | 113.8 Ų | 113.8 | 49% | 0.487 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.7 | -21.2 | -178.8 | -87.7 | 161.4 | 0 | 0 | 0 | 114.5 | G511 S516 A517 | G511-L514 PolarHBondContact O-N 2.75Å; L514-S516 PolarHBondContact O-N 3Å; L514-A517 PolarHBondContact O-N 3.09Å |
| 515 | I | 28.3 | Very low | 29.3 | Very low | 152 Ų | 152 | 115 Ų | 115 | 78% | 0.779 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -11.9 | -179.9 | -63.4 | 176.6 | 0 | 0 | 0 | 112.7 | ||
| 516 | S | 26.6 | Very low | 29.2 | Very low | 94 Ų | 94 | 120 Ų | 120 | 66% | 0.657 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -10.4 | 178.1 | 58.8 | 0 | 0 | 0 | 0 | 114.9 | Q513 L514 | Q513-S516 PolarHBondContact O-OG 2.92Å; L514-S516 PolarHBondContact O-N 3Å |
| 517 | A | 26.5 | Very low | 29.1 | Very low | 67 Ų | 67 | 122 Ų | 122 | 55% | 0.554 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -34 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L514 N519 | L514-A517 PolarHBondContact O-N 3.09Å; A517-N519 VanDerWaalsContact C-N 3.31Å; A517-N519 PolarHBondContact O-N 3.45Å; A517-N519 VanDerWaalsContact O-N 3.11Å |
| 518 | V | 29.2 | Very low | 29.2 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 81% | 0.806 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -90.8 | 51.5 | -172 | -163.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 519 | N | 27 | Very low | 28.8 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -153.1 | 31.6 | 176.8 | -149.3 | -6.1 | 0 | 0 | 0 | 116.3 | A517 | A517-N519 VanDerWaalsContact C-N 3.31Å; A517-N519 PolarHBondContact O-N 3.45Å; A517-N519 VanDerWaalsContact O-N 3.11Å |
| 520 | V | 27.4 | Very low | 28.6 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -135.7 | 36.8 | -179.7 | -155.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 521 | S | 27 | Very low | 28.4 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -159.8 | 32.9 | 176.7 | 54.9 | 0 | 0 | 0 | 0 | 118.1 | ||
| 522 | N | 28.6 | Very low | 28.3 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -156.7 | 37.4 | 162.3 | -107.2 | -31.6 | 0 | 0 | 0 | 117.2 | R524 | N522-R524 PolarHBondContact O-N 2.67Š| ||
| 523 | L | 27.1 | Very low | 28.1 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | trans | -85.3 | 85.3 | 169.1 | -81.4 | 167.7 | 0 | 0 | 0 | 111.6 | ||||
| 524 | R | 29.6 | Very low | 27.9 | Very low | 242 Ų | 242 | 131.1 Ų | 131.1 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | trans | -121.7 | 119.2 | 155.7 | -79.3 | -166.5 | 173.6 | -163.8 | -0.4 | 110.4 | N522 | N522-R524 PolarHBondContact O-N 2.67Š| ||
| 525 | T | 28.3 | Very low | 27.9 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -71.5 | 139 | -173.1 | 50.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 526 | C | 27.9 | Very low | 27.8 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 92% | 0.919 | 80% | 0.799 | S | S | * | * | trans | -130 | 120.8 | 141.7 | -86 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 527 | S | 27.8 | Very low | 27.8 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -108.3 | 131.6 | 175.4 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 528 | T | 31.2 | Very low | 28.1 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -146.3 | 105.5 | 152.7 | 17.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 529 | A | 27 | Very low | 28.3 | Very low | 92 Ų | 92 | 137.9 Ų | 137.9 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | -80.6 | 144.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 530 | S | 29.5 | Very low | 28.5 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -130.4 | 99.9 | 155.4 | -169.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 531 | H | 28.9 | Very low | 28.9 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 80% | 0.801 | 82% | 0.818 | S | S | * | * | trans | -77.6 | 120 | 167.3 | -79.1 | 110.9 | 0 | 0 | 0 | 108.7 | ||||
| 532 | I | 28.7 | Very low | 29.2 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | -127.8 | 107.5 | 140.6 | -59.8 | -176.2 | 0 | 0 | 0 | 107.6 | ||||
| 533 | A | 26.3 | Very low | 29.5 | Very low | 84 Ų | 84 | 138.8 Ų | 138.8 | 69% | 0.694 | 81% | 0.809 | S | S | * | * | trans | -108.1 | 157.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 534 | S | 25.3 | Very low | 29.8 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | 95.1 | 153.6 | 155.4 | -151.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 535 | V | 28.4 | Very low | 30.1 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | 77.9 | 133.1 | 167.5 | -158.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 536 | M | 25.9 | Very low | 30.4 | Very low | 180 Ų | 180 | 129.2 Ų | 129.2 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -89.5 | 179.3 | 177.7 | -68 | 179.9 | 162.2 | 0 | 0 | 112.9 | ||||
| 537 | S | 27.1 | Very low | 30.8 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | 83.9 | 105.8 | 153.5 | -168.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 538 | V | 32.2 | Very low | 31.2 | Very low | 148 Ų | 148 | 128.1 Ų | 128.1 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | trans | -125.6 | 137.7 | 140.1 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 539 | T | 32.8 | Very low | 31.4 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | trans | -81.1 | 163.2 | -165.6 | 49.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 540 | K | 31.6 | Very low | 31.8 | Very low | 207 Ų | 207 | 130 Ų | 130 | 90% | 0.9 | 76% | 0.762 | S | S | * | * | -140.4 | 153.2 | 129.5 | -103 | 164.2 | -172.6 | 177.1 | 0 | 109.2 | |||||
| 541 | P | 35.7 | Very low | 32.3 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -114.2 | 168 | -143.6 | 40.6 | -34.8 | 0 | 0 | 0 | 115.6 | ||||
| 542 | V | 33 | Very low | 32.4 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | 179.9 | 126.8 | 123 | 147.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 543 | T | 35.3 | Very low | 32.7 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | 24.7 | 140.4 | 157.2 | 64.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 544 | T | 33.6 | Very low | 32.9 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | cis | -169.4 | 149.5 | 9.9 | 6.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 545 | A | 34.6 | Very low | 33.1 | Very low | 92 Ų | 92 | 126 Ų | 126 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | trans | 66.5 | 148.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 546 | V | 35.4 | Very low | 33.1 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | -162 | 139.5 | -13 | 120.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 547 | N | 37.1 | Very low | 33.1 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | 56.1 | 154.1 | 156.5 | -65.9 | 30.9 | 0 | 0 | 0 | 120.6 | ||||
| 548 | D | 35.7 | Very low | 33.2 | Very low | 95 Ų | 95 | 122.4 Ų | 122.4 | 51% | 0.508 | 75% | 0.75 | S | S | . | * | cis | -162.2 | 151.1 | -4.8 | -122.8 | -34.6 | 0 | 0 | 0 | 112.2 | ||||
| 549 | K | 35.9 | Very low | 33.2 | Very low | 172 Ų | 172 | 120.1 Ų | 120.1 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | 53.5 | 150.4 | 146.9 | -67.6 | 150.8 | -168.8 | 146.9 | 0 | 121.9 | ||||
| 550 | S | 34.4 | Very low | 32.9 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | cis | -174.1 | 145.9 | -22.9 | 50 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 551 | P | 40.5 | Very low | 32.8 | Very low | 124 Ų | 124 | 120 Ų | 120 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | trans | -112.4 | 169.8 | -175 | 41.7 | -35 | 0 | 0 | 0 | 116 | ||||
| 552 | C | 31.7 | Very low | 32.5 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | trans | 172.8 | 161.1 | 155.9 | -100.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 553 | S | 33.4 | Very low | 32.2 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | cis | -172.5 | 147.4 | -12 | 48.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 554 | T | 30.5 | Very low | 32 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | 33.4 | 145 | 137.9 | -23.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 555 | A | 30.7 | Very low | 31.7 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | cis | -157.7 | 150 | 16.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 556 | V | 27.8 | Very low | 31.5 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | 84.6 | 134.8 | 71.6 | 176.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 557 | S | 27.3 | Very low | 31.3 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | 74.9 | 145.9 | 169.9 | -144.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 558 | S | 28.1 | Very low | 30.9 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | cis | -169.2 | 170.2 | -24.3 | 53.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 559 | S | 31.4 | Very low | 30.8 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | cis | -167.7 | 158.4 | 33.8 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 560 | Y | 26.7 | Very low | 30.5 | Very low | 223 Ų | 223 | 135.9 Ų | 135.9 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | trans | 7.3 | 139 | 144.2 | -82.9 | -92.4 | 0 | 0 | 0 | 120.1 | ||||
| 561 | S | 29.3 | Very low | 30.4 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | cis | 178.2 | 177.3 | 46 | 45.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 562 | R | 29.5 | Very low | 29.8 | Very low | 225 Ų | 225 | 139 Ų | 139 | 85% | 0.849 | 77% | 0.774 | S | S | * | * | trans | 82.7 | 115.9 | 171.1 | -53.3 | -176.1 | -168.6 | -147.2 | 0.6 | 114.6 | ||||
| 563 | L | 27.7 | Very low | 29.8 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | 82.7 | 99.8 | 56.5 | -76 | 170.9 | 0 | 0 | 0 | 113.9 | |||||
| 564 | Q | 30.5 | Very low | 29.6 | Very low | 175 Ų | 175 | 145 Ų | 145 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | -176.4 | 145.5 | 114.2 | -98.9 | 170.6 | -3.4 | 0 | 0 | 112.6 | |||||
| 565 | N | 27.7 | Very low | 29.5 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | 23.4 | 128.1 | 154.1 | -47.9 | -2.2 | 0 | 0 | 0 | 120.9 | ||||
| 566 | M | 31.2 | Very low | 29.4 | Very low | 174 Ų | 174 | 156.7 Ų | 156.7 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | -176.2 | 128.9 | 104.7 | -98.5 | 174.4 | 179.5 | 0 | 0 | 113.9 | |||||
| 567 | D | 29.9 | Very low | 29.5 | Very low | 146 Ų | 146 | 156.2 Ų | 156.2 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | 29.6 | 139.6 | 142 | -50.2 | -45.2 | 0 | 0 | 0 | 124.1 | ||||
| 568 | L | 28.3 | Very low | 29.7 | Very low | 165 Ų | 165 | 154.6 Ų | 154.6 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -72.8 | 156 | 167.5 | -70.5 | 159.7 | 0 | 0 | 0 | 112.9 | ||||
| 569 | P | 34.1 | Very low | 29.6 | Very low | 114 Ų | 114 | 155.8 Ų | 155.8 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | trans | -116.6 | 122.8 | 147.8 | 33.8 | -24.4 | 0 | 0 | 0 | 112.4 | ||||
| 570 | V | 29.9 | Very low | 29.7 | Very low | 123 Ų | 123 | 156.4 Ų | 156.4 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | trans | -79.7 | 125.6 | 167.2 | 177.5 | 0 | 0 | 0 | 0 | 109 | L572 | V570-L572 PolarHBondContact O-N 2.74Š| ||
| 571 | H | 31.7 | Very low | 29.8 | Very low | 158 Ų | 158 | 150.8 Ų | 150.8 | 73% | 0.731 | 79% | 0.792 | S | S | * | * | trans | -82.2 | 83.1 | -178.4 | -117.9 | -80.5 | 0 | 0 | 0 | 112.5 | H573 | H571-H573 AromaticContact CE1-NE2 3.7Å; H571-H573 AromaticContact ND1-CD2 3.59Å; H571-H573 AromaticContact ND1-NE2 3.51Å | ||
| 572 | L | 28.3 | Very low | 30 | Very low | 139 Ų | 139 | 155.6 Ų | 155.6 | 73% | 0.728 | 80% | 0.801 | S | S | * | * | trans | -94.3 | 98.6 | 176.2 | -150.6 | 91.6 | 0 | 0 | 0 | 111.1 | V570 Y574 | V570-L572 PolarHBondContact O-N 2.74Å; L572-Y574 PolarHBondContact O-N 3.28Å; L572-Y574 VanDerWaalsContact O-N 3.11Å | ||
| 573 | H | 31.8 | Very low | 30.1 | Very low | 150 Ų | 150 | 150.9 Ų | 150.9 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | trans | -85.6 | 79.4 | -177.8 | -102 | -62.9 | 0 | 0 | 0 | 114 | H571 W575 | H571-H573 AromaticContact CE1-NE2 3.7Å; H571-H573 AromaticContact ND1-CD2 3.59Å; H571-H573 AromaticContact ND1-NE2 3.51Å; H573-W575 PolarHBondContact O-N 3.16Å | ||
| 574 | Y | 29.8 | Very low | 30.4 | Very low | 198 Ų | 198 | 148.4 Ų | 148.4 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -83.3 | 105.6 | 169.1 | -132 | -77.8 | 0 | 0 | 0 | 110.7 | L572 R576 | L572-Y574 PolarHBondContact O-N 3.28Å; L572-Y574 VanDerWaalsContact O-N 3.11Å; Y574-R576 PolarHBondContact O-N 3.45Å | ||
| 575 | W | 28 | Very low | 30.8 | Very low | 237 Ų | 237 | 144.1 Ų | 144.1 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | -77.5 | 115.1 | 171.2 | -102 | 84 | 0 | 0 | 0 | 110.5 | H573 | H573-W575 PolarHBondContact O-N 3.16Š| ||
| 576 | R | 29.1 | Very low | 31.2 | Very low | 226 Ų | 226 | 145 Ų | 145 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -119.4 | 117 | 178.4 | -153 | 179.1 | -164.5 | -169 | 5.6 | 110.3 | Y574 | Y574-R576 PolarHBondContact O-N 3.45Š| ||
| 577 | S | 28.4 | Very low | 31.4 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -66.8 | 129.9 | 177.7 | 52.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 578 | G | 31.3 | Very low | 31.8 | Very low | 77 Ų | 77 | 140 Ų | 140 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -152.1 | 128.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 579 | S | 27.4 | Very low | 32.2 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -102.1 | 141.4 | -170.5 | -46.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 580 | S | 32.8 | Very low | 32.3 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -177.4 | 120.1 | 137.5 | 32.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 581 | S | 28.9 | Very low | 32.6 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 4.4 | 130.4 | 147.8 | 57.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 582 | K | 34.3 | Very low | 32.7 | Very low | 193 Ų | 193 | 138.2 Ų | 138.2 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | -173.8 | 118.2 | 126.1 | -96.7 | 156.6 | -177.3 | 179.1 | 0 | 107.9 | |||||
| 583 | T | 31.1 | Very low | 33.1 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | 44.4 | 123.9 | 88.8 | 64.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 584 | S | 35 | Very low | 33.3 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | cis | -165.1 | -167.8 | -4.3 | 56.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 585 | S | 38 | Very low | 33.4 | Very low | 86 Ų | 86 | 134.7 Ų | 134.7 | 60% | 0.601 | 78% | 0.781 | S | S | * | * | cis | -166.6 | 159.8 | 7.5 | 6.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 586 | D | 35.7 | Very low | 33.8 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | 65.9 | 151.2 | 155.4 | -55.8 | -27 | 0 | 0 | 0 | 119.5 | ||||
| 587 | S | 36.6 | Very low | 34.1 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -150.6 | 159.5 | 6.5 | 37.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 588 | S | 36.8 | Very low | 34.1 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | 33 | 131.6 | 154.4 | 58.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 589 | S | 37.1 | Very low | 34.2 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | cis | -171.8 | -168.8 | 0.8 | 57.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 590 | S | 36.7 | Very low | 34.4 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | cis | -160.1 | -174.1 | 10.5 | 63 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 591 | Y | 36.1 | Very low | 34.4 | Very low | 220 Ų | 220 | 132.2 Ų | 132.2 | 86% | 0.863 | 76% | 0.763 | S | S | * | * | cis | -146.7 | -104.8 | 0.9 | -161.9 | -131.6 | 0 | 0 | 0 | 112.8 | ||||
| 592 | S | 34.5 | Very low | 34.6 | Very low | 85 Ų | 85 | 134.5 Ų | 134.5 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | trans | -137 | 155.1 | -171.2 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 593 | S | 35.6 | Very low | 34.4 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | cis | -165.3 | -162.8 | -9.1 | 50.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 594 | T | 36.3 | Very low | 34.4 | Very low | 130 Ų | 130 | 135 Ų | 135 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | cis | -155.7 | 178.5 | 24.9 | -33.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 595 | K | 32.5 | Very low | 34 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 79% | 0.787 | 75% | 0.752 | S | S | * | * | trans | -92.2 | 148.1 | -167.1 | -55.3 | 158.6 | 174.9 | 173.7 | 0 | 115.1 | ||||
| 596 | S | 36.4 | Very low | 33.8 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | -170.2 | 130.4 | 107 | 51.9 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 597 | N | 34.3 | Very low | 33.5 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | 65.1 | 133.5 | 56.6 | -74.7 | 27 | 0 | 0 | 0 | 113.3 | |||||
| 598 | C | 29.9 | Very low | 33.1 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | cis | -171.4 | -173.9 | -7.4 | -128.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 599 | L | 32.9 | Very low | 32.9 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 88% | 0.88 | 76% | 0.755 | S | S | * | * | trans | 95.1 | 119.2 | 153.9 | -73.4 | 146.9 | 0 | 0 | 0 | 122.4 | ||||
| 600 | D | 30.8 | Very low | 32.8 | Very low | 148 Ų | 148 | 142.4 Ų | 142.4 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -71.8 | 153.5 | 150.5 | -78.5 | -72.4 | 0 | 0 | 0 | 113 | ||||
| 601 | K | 34 | Very low | 32.4 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 78% | 0.778 | 75% | 0.754 | S | S | * | * | 171.5 | 120.8 | 111.8 | -94.8 | -179.8 | -179.9 | -179.3 | 0 | 116.3 | |||||
| 602 | Q | 31.3 | Very low | 32.1 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 71% | 0.71 | 75% | 0.749 | S | S | * | * | 61.1 | 118.5 | 114.9 | -143.5 | -175 | 25.2 | 0 | 0 | 121 | |||||
| 603 | L | 31.1 | Very low | 31.8 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | 156.3 | 128.7 | 113.9 | -81.9 | 173.8 | 0 | 0 | 0 | 116.2 | |||||
| 604 | R | 30.6 | Very low | 31.4 | Very low | 210 Ų | 210 | 142.4 Ų | 142.4 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | 64.4 | 159.8 | 144.4 | -65.1 | 178.3 | -169 | -152.5 | 3.9 | 120.2 | ||||
| 605 | Q | 27.5 | Very low | 30.8 | Very low | 161 Ų | 161 | 148.1 Ų | 148.1 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | cis | -170.8 | -175.3 | -31.4 | -163.9 | 161 | 2.6 | 0 | 0 | 107.3 | ||||
| 606 | I | 33.6 | Very low | 30.6 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | 82.4 | 145.1 | -177.1 | -51.3 | 165.2 | 0 | 0 | 0 | 112.8 | ||||
| 607 | S | 28 | Very low | 30.1 | Very low | 83 Ų | 83 | 144.3 Ų | 144.3 | 58% | 0.58 | 76% | 0.762 | S | S | * | * | -173 | 162 | -66.3 | 51.5 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 608 | E | 29.1 | Very low | 29.6 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 52.9 | 103.1 | 160.6 | -67.8 | 152.8 | -135 | 0 | 0 | 117.3 | ||||
| 609 | N | 33.4 | Very low | 29.5 | Very low | 156 Ų | 156 | 146.7 Ų | 146.7 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | -168.1 | 150.8 | 63.4 | -86.6 | -65.4 | 0 | 0 | 0 | 113.1 | |||||
| 610 | T | 33.3 | Very low | 29.2 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -104.6 | 164.7 | 175.1 | -13.9 | 0 | 0 | 0 | 0 | 110.5 | T612 | T610-T612 HydrophobicContact CG2-CG2 4.25Š| ||
| 611 | P | 28.7 | Very low | 29.4 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | -137.3 | 138.5 | 93 | 26.3 | -8.3 | 0 | 0 | 0 | 114.7 | |||||
| 612 | T | 29.7 | Very low | 29.2 | Very low | 125 Ų | 125 | 142 Ų | 142 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | trans | -70.8 | 142.6 | 164.6 | 45.7 | 0 | 0 | 0 | 0 | 111.3 | T610 | T610-T612 HydrophobicContact CG2-CG2 4.25Š| ||
| 613 | I | 28.8 | Very low | 29.2 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 81% | 0.805 | 74% | 0.744 | S | S | * | * | trans | -119.1 | 136.1 | 164 | -66.4 | -178.2 | 0 | 0 | 0 | 107.7 | ||||
| 614 | P | 27.4 | Very low | 29.2 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | trans | -88.5 | 153.3 | -164.8 | 34.4 | -36.4 | 0 | 0 | 0 | 114 | S616 | P614-S616 PolarHBondContact O-N 3.05Š| ||
| 615 | Y | 24.1 | Very low | 29.1 | Very low | 250 Ų | 250 | 137.8 Ų | 137.8 | 98% | 0.98 | 75% | 0.746 | S | S | * | * | trans | -71.8 | 109.5 | 155 | -91.3 | -98 | 0 | 0 | 0 | 109.3 | ||||
| 616 | S | 26.7 | Very low | 29.2 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | -135.4 | 126.8 | 164.3 | 57.6 | 0 | 0 | 0 | 0 | 109.5 | P614 | P614-S616 PolarHBondContact O-N 3.05Š| ||
| 617 | S | 25.9 | Very low | 29 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | trans | -62.8 | 156.2 | 173.7 | 50.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 618 | S | 25.4 | Very low | 29.1 | Very low | 90 Ų | 90 | 139.3 Ų | 139.3 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | 172.3 | 159.7 | 117.4 | 48.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 619 | Y | 26.8 | Very low | 29 | Very low | 204 Ų | 204 | 139.6 Ų | 139.6 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | 66.5 | 146.2 | 167.8 | -52.7 | -75.1 | 0 | 0 | 0 | 119.8 | ||||
| 620 | L | 27.2 | Very low | 28.9 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | -160 | 151.2 | -55.6 | -123.1 | 172.3 | 0 | 0 | 0 | 108.8 | |||||
| 621 | N | 33.9 | Very low | 28.9 | Very low | 143 Ų | 143 | 137.6 Ų | 137.6 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | -92.1 | 136.4 | 174.6 | -162.2 | 22.1 | 0 | 0 | 0 | 110.4 | ||||
| 622 | P | 31.6 | Very low | 29.1 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | trans | -118 | 143.4 | 152.7 | 35.5 | -25.6 | 0 | 0 | 0 | 110.6 | ||||
| 623 | S | 31.1 | Very low | 29.3 | Very low | 83 Ų | 83 | 141.4 Ų | 141.4 | 58% | 0.58 | 77% | 0.773 | S | S | * | * | cis | -173.7 | 160 | -11.2 | 41.7 | 0 | 0 | 0 | 0 | 105 | ||||
| 624 | W | 29.8 | Very low | 29.3 | Very low | 222 Ų | 222 | 139.9 Ų | 139.9 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | cis | -147.9 | 144 | 33.7 | -68.6 | 77.8 | 0 | 0 | 0 | 106.9 | ||||
| 625 | S | 29.3 | Very low | 29.4 | Very low | 89 Ų | 89 | 139.5 Ų | 139.5 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | cis | 73.2 | 143.7 | 48.7 | 93.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 626 | V | 28.5 | Very low | 29.7 | Very low | 131 Ų | 131 | 136 Ų | 136 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | cis | -160.4 | 155.6 | 0.6 | 96.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 627 | I | 31.1 | Very low | 30 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 80% | 0.795 | 77% | 0.766 | S | S | * | * | -161.1 | 144.5 | 83.9 | -73.6 | 168.7 | 0 | 0 | 0 | 109.4 | |||||
| 628 | L | 28.8 | Very low | 30.2 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -118.9 | 155.1 | 161.9 | -82.6 | 163.7 | 0 | 0 | 0 | 109.5 | ||||
| 629 | N | 28.1 | Very low | 30.3 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | -172.2 | 149 | 122.2 | -104.2 | -30.1 | 0 | 0 | 0 | 115.4 | |||||
| 630 | S | 31.5 | Very low | 30.4 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -110.8 | 140.2 | 171.3 | 58.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 631 | S | 31.9 | Very low | 30.5 | Very low | 125 Ų | 125 | 137 Ų | 137 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | -159.7 | 139.7 | 164.5 | -80.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 632 | K | 34 | Very low | 30.3 | Very low | 200 Ų | 200 | 136 Ų | 136 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | trans | -97.6 | 153.4 | 157 | -66.9 | -176.7 | 176.3 | -179.8 | 0 | 107.7 | ||||
| 633 | P | 32.7 | Very low | 30.4 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | -144.9 | -165.5 | 94.7 | 38.9 | -22.3 | 0 | 0 | 0 | 113.7 | |||||
| 634 | T | 29.3 | Very low | 30.5 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -109.9 | 172.5 | -167.9 | 45.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 635 | S | 30.9 | Very low | 30.7 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | trans | 88.2 | 117.8 | 142.9 | 58.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 636 | Q | 29.7 | Very low | 31 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | 70.7 | 144.3 | 148.3 | -61.7 | 179.2 | 5.1 | 0 | 0 | 116.2 | ||||
| 637 | I | 32.4 | Very low | 31.3 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | -147 | 149.5 | 54.8 | -87.7 | 169.5 | 0 | 0 | 0 | 112.8 | |||||
| 638 | Y | 31.1 | Very low | 31.9 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | 10.7 | 126.1 | 155.8 | -65.1 | -109 | 0 | 0 | 0 | 119.2 | ||||
| 639 | S | 26.6 | Very low | 32.3 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | cis | 96.1 | 132.7 | 34.7 | 76.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 640 | S | 29 | Very low | 32.9 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | 70.7 | 153.8 | 169.3 | 86.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 641 | N | 29.2 | Very low | 33.1 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | cis | -165.2 | 157.2 | -12.6 | -118.7 | -2.4 | 0 | 0 | 0 | 110.4 | ||||
| 642 | T | 29.9 | Very low | 33.3 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 62 | 161.7 | 157 | 47.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 643 | T | 34 | Very low | 33.2 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | cis | -156.4 | 155.7 | 4.7 | 0.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 644 | H | 32.3 | Very low | 33.1 | Very low | 172 Ų | 172 | 123.1 Ų | 123.1 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | 11.7 | 128.9 | 150.4 | -64.6 | -118.1 | 0 | 0 | 0 | 118.5 | ||||
| 645 | S | 34.9 | Very low | 33.2 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | 166.7 | 172.4 | 76.9 | 43.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 646 | S | 34.8 | Very low | 33.1 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | cis | -174 | 140.5 | -46.8 | 58.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 647 | V | 35.2 | Very low | 33.1 | Very low | 144 Ų | 144 | 123.9 Ų | 123.9 | 87% | 0.873 | 75% | 0.75 | S | S | * | * | trans | 80.1 | 148.5 | 144.7 | 165.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 648 | P | 44.5 | Very low | 33.1 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | trans | -136.3 | -161.2 | -146.4 | 46.2 | -28.2 | 0 | 0 | 0 | 115.9 | ||||
| 649 | C | 36.9 | Very low | 33 | Very low | 116 Ų | 116 | 119.8 Ų | 119.8 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | trans | -161.8 | 120.2 | 154.2 | -98.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 650 | S | 39.5 | Very low | 33.4 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | 65.8 | 131.8 | 96 | 73.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 651 | G | 37.2 | Very low | 33.4 | Very low | 74 Ų | 74 | 123.1 Ų | 123.1 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | cis | 178.2 | -160.9 | 2.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 652 | V | 35.6 | Very low | 33.6 | Very low | 135 Ų | 135 | 123.6 Ų | 123.6 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | cis | -152.3 | 121.8 | -1.8 | -180 | 0 | 0 | 0 | 0 | 111 | ||||
| 653 | T | 31.8 | Very low | 33.5 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 25.4 | 102.5 | 141.9 | -42.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 654 | A | 30.4 | Very low | 33.5 | Very low | 86 Ų | 86 | 123.4 Ų | 123.4 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | 55.7 | 171.8 | 118.2 | 0 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 655 | Y | 31.6 | Very low | 33.5 | Very low | 213 Ų | 213 | 120.1 Ų | 120.1 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | 79.8 | 149 | 175.4 | -61.1 | -84.8 | 0 | 0 | 0 | 118.5 | ||||
| 656 | S | 29.2 | Very low | 33.5 | Very low | 84 Ų | 84 | 121.7 Ų | 121.7 | 59% | 0.587 | 77% | 0.774 | S | S | * | * | cis | -177 | 143.2 | -41.8 | 53.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 657 | S | 28.5 | Very low | 33.3 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 58.5 | 162.4 | 171 | 73.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 658 | T | 33.2 | Very low | 33.1 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | -135.6 | 163.7 | 19.6 | 38.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 659 | T | 29.4 | Very low | 32.5 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -78.8 | 146.3 | 169.6 | 48.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 660 | N | 33.8 | Very low | 32.4 | Very low | 171 Ų | 171 | 126 Ų | 126 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | trans | -160.9 | 152.5 | 137.3 | -99.9 | -27.3 | 0 | 0 | 0 | 110.7 | ||||
| 661 | A | 29.5 | Very low | 32.1 | Very low | 94 Ų | 94 | 127.4 Ų | 127.4 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | -115.4 | 147.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 662 | V | 33 | Very low | 32.1 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | trans | -140.8 | 144.2 | 160.6 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 663 | T | 29.3 | Very low | 32 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | trans | -106.4 | 127.3 | -173 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 664 | S | 33.5 | Very low | 32.3 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | -169.9 | 110.1 | 157.1 | 40.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 665 | S | 31.9 | Very low | 32.6 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | 69.7 | 112.3 | 75.7 | 74.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 666 | N | 34.2 | Very low | 32.8 | Very low | 145 Ų | 145 | 123 Ų | 123 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | trans | 139.6 | 106.2 | 166.9 | -74.7 | 1.4 | 0 | 0 | 0 | 106.5 | ||||
| 667 | T | 31.4 | Very low | 33.3 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | 63.7 | 148.7 | 80.5 | 65.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 668 | D | 31 | Very low | 33.6 | Very low | 148 Ų | 148 | 124.6 Ų | 124.6 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | 72 | 68.9 | 168.3 | -42.5 | -33.9 | 0 | 0 | 0 | 116.9 | ||||
| 669 | M | 32 | Very low | 33.7 | Very low | 162 Ų | 162 | 122 Ų | 122 | 80% | 0.798 | 73% | 0.73 | S | S | * | * | trans | -141.4 | 21.9 | 150.7 | -138.7 | 178.4 | -63.6 | 0 | 0 | 113.9 | D671 | M669-D671 PolarHBondContact O-N 3.11Š| ||
| 670 | V | 33.7 | Very low | 34.1 | Very low | 142 Ų | 142 | 120.6 Ų | 120.6 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -96.4 | 72.4 | 172.4 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | ||
| 671 | D | 34.9 | Very low | 34.1 | Very low | 143 Ų | 143 | 118.1 Ų | 118.1 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -165.3 | -32.3 | 169.9 | -104.7 | -33 | 0 | 0 | 0 | 111.9 | M669 L673 | M669-D671 PolarHBondContact O-N 3.11Å; D671-L673 VanDerWaalsContact C-N 3.26Å; D671-L673 PolarHBondContact O-N 3.45Å; D671-L673 VanDerWaalsContact O-N 3.09Å |
| 672 | T | 36 | Very low | 34.4 | Very low | 93 Ų | 93 | 118.3 Ų | 118.3 | 57% | 0.571 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 3.9 | -167.7 | -23.4 | 0 | 0 | 0 | 0 | 116.3 | ||
| 673 | L | 34.3 | Very low | 34.4 | Very low | 134 Ų | 134 | 120.3 Ų | 120.3 | 70% | 0.702 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | -14.2 | -178.6 | -73.6 | 172.3 | 0 | 0 | 0 | 114.6 | D671 S675 | D671-L673 VanDerWaalsContact C-N 3.26Å; D671-L673 PolarHBondContact O-N 3.45Å; D671-L673 VanDerWaalsContact O-N 3.09Å; L673-S675 VanDerWaalsContact C-N 3.26Å; L673-S675 PolarHBondContact O-N 3.39Å |
| 674 | S | 36.9 | Very low | 34.7 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -7.8 | 179.4 | -59.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 675 | S | 36.6 | Very low | 34.5 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 54% | 0.538 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.7 | -4.2 | -175.5 | 55.5 | 0 | 0 | 0 | 0 | 114.9 | L673 | L673-S675 VanDerWaalsContact C-N 3.26Å; L673-S675 PolarHBondContact O-N 3.39Å |
| 676 | L | 37.3 | Very low | 34.5 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 64% | 0.639 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -110.3 | -8.6 | -177 | -74 | 169.1 | 0 | 0 | 0 | 114.6 | ||
| 677 | L | 38.2 | Very low | 34.4 | Very low | 151 Ų | 151 | 122.6 Ų | 122.6 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -101.4 | -4.3 | 175.9 | -74.4 | 164.1 | 0 | 0 | 0 | 113.6 | ||
| 678 | S | 36.3 | Very low | 34.4 | Very low | 83 Ų | 83 | 126 Ų | 126 | 58% | 0.58 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -100.4 | 5.2 | -175 | 45.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 679 | S | 35.7 | Very low | 34.4 | Very low | 76 Ų | 76 | 123.6 Ų | 123.6 | 53% | 0.531 | 72% | 0.724 | S | S | . | * | S | Bend | trans | -114.9 | -4.9 | -172.8 | 55.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 680 | S | 36.4 | Very low | 34.5 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -99.7 | -5.6 | -175.8 | -61.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 681 | T | 35 | Very low | 34.6 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -98.9 | 2.6 | -170.6 | 42.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 682 | S | 34 | Very low | 34.4 | Very low | 99 Ų | 99 | 124.9 Ų | 124.9 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -108.6 | 13.9 | -170.6 | 57 | 0 | 0 | 0 | 0 | 115.5 | ||
| 683 | K | 35 | Very low | 34.2 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -128.9 | 11.1 | -175.8 | -85.3 | -172.7 | 174.4 | 179.5 | 0 | 116.8 | ||
| 684 | L | 34 | Very low | 34 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -116.9 | -5.3 | -179.9 | -74.8 | 168.6 | 0 | 0 | 0 | 115.2 | ||
| 685 | N | 30.3 | Very low | 33.6 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -111.2 | 58.2 | 179.8 | -74.5 | -12.9 | 0 | 0 | 0 | 112.3 | ||
| 686 | S | 31.1 | Very low | 33.4 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -154.8 | 34.7 | 174.4 | 74.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 687 | S | 32.9 | Very low | 33 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -155.6 | 166.3 | 166.8 | 57.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 688 | L | 31.4 | Very low | 32.7 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 95% | 0.953 | 77% | 0.77 | S | S | * | * | trans | 68.3 | 48.8 | -179.1 | -54.2 | 173 | 0 | 0 | 0 | 115.8 | ||||
| 689 | S | 31 | Very low | 32.4 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -108.2 | 146.7 | 144.6 | 59 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 690 | N | 34.4 | Very low | 32.3 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | 68.4 | 102.5 | -174.8 | -48.4 | -25.3 | 0 | 0 | 0 | 115.7 | ||||
| 691 | H | 35.2 | Very low | 32.1 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | -171.6 | 114 | 115.8 | -106.4 | -66.1 | 0 | 0 | 0 | 111.8 | |||||
| 692 | D | 30.4 | Very low | 32.1 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -71.2 | 130.3 | 165.8 | -59.7 | -75.8 | 0 | 0 | 0 | 110.8 | ||||
| 693 | W | 32.2 | Very low | 32 | Very low | 237 Ų | 237 | 149.3 Ų | 149.3 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | -142.1 | 141.2 | 157.1 | -86 | 93.5 | 0 | 0 | 0 | 110.6 | ||||
| 694 | F | 30.7 | Very low | 31.8 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 79% | 0.789 | 81% | 0.808 | S | S | * | * | trans | -95.9 | 149.5 | -164 | -116.8 | -118.7 | 0 | 0 | 0 | 113.8 | ||||
| 695 | L | 28.2 | Very low | 31.8 | Very low | 152 Ų | 152 | 152.4 Ų | 152.4 | 80% | 0.796 | 83% | 0.834 | S | S | * | * | trans | 22 | 106 | 151.6 | -60.5 | 178.9 | 0 | 0 | 0 | 119.1 | ||||
| 696 | S | 32.5 | Very low | 31.8 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | -155.3 | 140 | 122.5 | 52.5 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 697 | G | 27.6 | Very low | 31.9 | Very low | 68 Ų | 68 | 153.8 Ų | 153.8 | 70% | 0.701 | 83% | 0.834 | S | S | * | * | trans | -94 | 156.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 698 | N | 33 | Very low | 31.8 | Very low | 163 Ų | 163 | 156.8 Ų | 156.8 | 87% | 0.872 | 84% | 0.841 | S | S | * | * | trans | -154.9 | 143.8 | 148.6 | -95.3 | -44.6 | 0 | 0 | 0 | 109 | ||||
| 699 | N | 28.7 | Very low | 31.8 | Very low | 155 Ų | 155 | 155.4 Ų | 155.4 | 83% | 0.829 | 84% | 0.835 | S | S | * | * | trans | -70.7 | 139.5 | 177.5 | -66.4 | -4 | 0 | 0 | 0 | 110.6 | ||||
| 700 | V | 34.6 | Very low | 31.9 | Very low | 129 Ų | 129 | 159 Ų | 159 | 78% | 0.782 | 84% | 0.844 | S | S | * | * | trans | -138.7 | 113.5 | 156.4 | -179.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 701 | D | 32 | Very low | 31.7 | Very low | 141 Ų | 141 | 159.9 Ų | 159.9 | 75% | 0.754 | 85% | 0.849 | S | S | * | * | trans | -69.3 | 145.8 | 172.8 | -66.3 | -60.3 | 0 | 0 | 0 | 110.7 | ||||
| 702 | M | 35.5 | Very low | 31.5 | Very low | 172 Ų | 172 | 158.8 Ų | 158.8 | 85% | 0.847 | 85% | 0.851 | S | S | * | * | trans | -138 | 62.8 | 176 | -91.5 | -73.7 | -141.5 | 0 | 0 | 109.4 | ||||
| 703 | D | 30.7 | Very low | 31.5 | Very low | 143 Ų | 143 | 159.2 Ų | 159.2 | 77% | 0.765 | 85% | 0.854 | S | S | * | * | trans | -73.3 | 143.7 | 156.9 | -83.5 | -37.6 | 0 | 0 | 0 | 109.2 | ||||
| 704 | H | 32.1 | Very low | 31.5 | Very low | 184 Ų | 184 | 152.8 Ų | 152.8 | 85% | 0.852 | 85% | 0.85 | S | S | * | * | trans | 78.4 | 83.7 | -176.7 | -54.5 | -59.2 | 0 | 0 | 0 | 117.9 | ||||
| 705 | V | 32.3 | Very low | 31.6 | Very low | 219 Ų | 219 | 150.3 Ų | 150.3 | 100% | 1.327 | 86% | 0.856 | S | S | * | * | -126.4 | 0 | 127.9 | 178.4 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 705 of 705 residues in 1802.1 ms
(Link to these results)